smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](N[C@H](C)C[C@H](O)c1cccs1)c1ccco1 ZINC000286207995 335030637 /nfs/dbraw/zinc/03/06/37/335030637.db2.gz RXSIJZAFOMICPW-ILXRZTDVSA-N 0 3 305.443 4.450 20 30 DIEDHN COc1ccc2c(c1)[C@H](NC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272322774 130020339 /nfs/dbraw/zinc/02/03/39/130020339.db2.gz WHITWUHKTVCPRH-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C ZINC000272963585 130077874 /nfs/dbraw/zinc/07/78/74/130077874.db2.gz RXVUDOYLRPCCFG-HNNXBMFYSA-N 0 3 306.409 4.215 20 30 DIEDHN CC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000278290099 130678103 /nfs/dbraw/zinc/67/81/03/130678103.db2.gz RANLGTPXOPFKRR-NRFANRHFSA-N 0 3 319.452 4.399 20 30 DIEDHN CC(C)(C#N)CCCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550167 335075268 /nfs/dbraw/zinc/07/52/68/335075268.db2.gz MMSMUPHYJYTBSG-IAGOWNOFSA-N 0 3 320.864 4.168 20 30 DIEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1ncc(Br)cn1 ZINC000570502712 332764996 /nfs/dbraw/zinc/76/49/96/332764996.db2.gz MNJZLAJTOYGRPR-WCQYABFASA-N 0 3 312.255 4.025 20 30 DIEDHN N#Cc1cccc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000570825760 332823212 /nfs/dbraw/zinc/82/32/12/332823212.db2.gz VWJZEQLLRJTMCI-QGZVFWFLSA-N 0 3 318.342 4.069 20 30 DIEDHN CC[C@@H](CNCc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000530664833 331616899 /nfs/dbraw/zinc/61/68/99/331616899.db2.gz RDBTXLCFBMBCLV-INIZCTEOSA-N 0 3 314.816 4.159 20 30 DIEDHN C=C(C)COCCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556415013 331701857 /nfs/dbraw/zinc/70/18/57/331701857.db2.gz LEHOVNIJCBGRAP-UHFFFAOYSA-N 0 3 322.861 4.146 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccc(OC)cc32)cc1 ZINC000556912086 331752643 /nfs/dbraw/zinc/75/26/43/331752643.db2.gz KBIDHPXZPJWHSF-HXUWFJFHSA-N 0 3 309.409 4.037 20 30 DIEDHN C=CCC[C@H](NC[C@@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257755 331890121 /nfs/dbraw/zinc/89/01/21/331890121.db2.gz NZWXGPUJRQVASR-YOEHRIQHSA-N 0 3 319.832 4.306 20 30 DIEDHN Cc1cccc(C2(CNC[C@H](C#N)CCC#N)CCCCC2)c1 ZINC000558731535 331939539 /nfs/dbraw/zinc/93/95/39/331939539.db2.gz BNRNSJXYUFCRRW-SFHVURJKSA-N 0 3 309.457 4.230 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000520042376 332030823 /nfs/dbraw/zinc/03/08/23/332030823.db2.gz CPQNRPWQJYKBQI-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN CC(C)(C#N)CCCCN1CCSC[C@H]1c1ccccc1 ZINC000409446905 332032482 /nfs/dbraw/zinc/03/24/82/332032482.db2.gz WMZQHSUJKUIUKX-KRWDZBQOSA-N 0 3 302.487 4.497 20 30 DIEDHN CC(C)(CCC#N)CN(Cc1ccco1)Cc1ccc(O)cc1 ZINC000093015675 332133288 /nfs/dbraw/zinc/13/32/88/332133288.db2.gz YGSBRGDWVLQMGJ-UHFFFAOYSA-N 0 3 312.413 4.317 20 30 DIEDHN CSCC[C@@H](C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426993571 332164812 /nfs/dbraw/zinc/16/48/12/332164812.db2.gz DAHKQLPASXXZFS-CYBMUJFWSA-N 0 3 315.404 4.130 20 30 DIEDHN C=CCC[C@H](NCCc1ccc(OC)c(F)c1)c1ccco1 ZINC000560530293 332352460 /nfs/dbraw/zinc/35/24/60/332352460.db2.gz XROYCKNJSVTJLI-INIZCTEOSA-N 0 3 303.377 4.267 20 30 DIEDHN C=CCC[C@@H](NCCc1cccc(OC)c1OC)c1ccco1 ZINC000560530249 332352519 /nfs/dbraw/zinc/35/25/19/332352519.db2.gz XMBYGRRZRRNKNR-MRXNPFEDSA-N 0 3 315.413 4.136 20 30 DIEDHN C[C@@H]1CCC[C@@H](CCN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930416 332395032 /nfs/dbraw/zinc/39/50/32/332395032.db2.gz UPIZVTRCZLQURX-MSOLQXFVSA-N 0 3 311.473 4.155 20 30 DIEDHN N#CCCCCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153634941 332398706 /nfs/dbraw/zinc/39/87/06/332398706.db2.gz NYKBPGGVUPWRDA-UHFFFAOYSA-N 0 3 308.347 4.488 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@H]2N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000561455664 332452323 /nfs/dbraw/zinc/45/23/23/332452323.db2.gz KGXZJNYWDYABJZ-DQLDELGASA-N 0 3 320.436 4.438 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(OCC#N)cc1 ZINC000171405034 332644971 /nfs/dbraw/zinc/64/49/71/332644971.db2.gz BZCPSYYNDQJBTQ-CXAGYDPISA-N 0 3 312.438 4.379 20 30 DIEDHN C=C(C)CN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000159870186 332717609 /nfs/dbraw/zinc/71/76/09/332717609.db2.gz CRANJAKMHGZDJC-LBPRGKRZSA-N 0 3 302.443 4.354 20 30 DIEDHN N#CCc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000580193815 332997357 /nfs/dbraw/zinc/99/73/57/332997357.db2.gz VUNITVULYGHFHG-NRFANRHFSA-N 0 3 315.420 4.182 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000185175565 335119649 /nfs/dbraw/zinc/11/96/49/335119649.db2.gz IDHDOJBOYUMWCI-UHFFFAOYSA-N 0 3 315.363 4.316 20 30 DIEDHN CC(C)(C)c1ccc(CNCc2ccc(OCC#N)cc2)s1 ZINC000178165085 333135712 /nfs/dbraw/zinc/13/57/12/333135712.db2.gz VSOQCJNPDLZSNB-UHFFFAOYSA-N 0 3 314.454 4.238 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000179476326 333151139 /nfs/dbraw/zinc/15/11/39/333151139.db2.gz IRFCHMKGONHUDM-LBPRGKRZSA-N 0 3 319.817 4.166 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542539 333162871 /nfs/dbraw/zinc/16/28/71/333162871.db2.gz KFPFLLPEEYTQMZ-BFUOFWGJSA-N 0 3 310.372 4.066 20 30 DIEDHN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000180556954 333163161 /nfs/dbraw/zinc/16/31/61/333163161.db2.gz RRFXPNHUARZFEM-BEFAXECRSA-N 0 3 306.409 4.236 20 30 DIEDHN C[C@H]1CC[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555837 333163215 /nfs/dbraw/zinc/16/32/15/333163215.db2.gz BGRDLFAPXYRIJP-MGPUTAFESA-N 0 3 306.409 4.317 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180554567 333163259 /nfs/dbraw/zinc/16/32/59/333163259.db2.gz NEYDRJOWCZCLRI-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1Cl ZINC000180887802 333165871 /nfs/dbraw/zinc/16/58/71/333165871.db2.gz XDEBLBVDHJDWGI-AWEZNQCLSA-N 0 3 314.816 4.402 20 30 DIEDHN Cc1cccnc1[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754610 333172179 /nfs/dbraw/zinc/17/21/79/333172179.db2.gz BAIMABUPCIGQLH-APWZRJJASA-N 0 3 323.440 4.340 20 30 DIEDHN CCN(CCOc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590815 333266566 /nfs/dbraw/zinc/26/65/66/333266566.db2.gz OFNZIEXSFKGWMU-INIZCTEOSA-N 0 3 324.424 4.029 20 30 DIEDHN CCN(CCOc1ccccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000497597004 333267204 /nfs/dbraw/zinc/26/72/04/333267204.db2.gz RASRVTCAKATXDN-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN N#Cc1cccc(CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000525779394 333301404 /nfs/dbraw/zinc/30/14/04/333301404.db2.gz GHDBTKGHVAPQCL-GOSISDBHSA-N 0 3 308.450 4.172 20 30 DIEDHN CCO[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425287 333303158 /nfs/dbraw/zinc/30/31/58/333303158.db2.gz ZATZZAZVDZPZHQ-OXJNMPFZSA-N 0 3 324.424 4.017 20 30 DIEDHN CSc1ccccc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000194921443 333317708 /nfs/dbraw/zinc/31/77/08/333317708.db2.gz QQEFQEAMDYOSHG-AWEZNQCLSA-N 0 3 312.438 4.162 20 30 DIEDHN CC(C#N)C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000531276914 333339663 /nfs/dbraw/zinc/33/96/63/333339663.db2.gz CGBLMKLCAREQHI-FZKQIMNGSA-N 0 3 324.811 4.126 20 30 DIEDHN N#CCCC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000563159168 333404686 /nfs/dbraw/zinc/40/46/86/333404686.db2.gz YGQYDVPUTAUNRH-UHFFFAOYSA-N 0 3 323.415 4.403 20 30 DIEDHN CCOc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000338954840 333503179 /nfs/dbraw/zinc/50/31/79/333503179.db2.gz YXLICBZXSPDQPY-UHFFFAOYSA-N 0 3 324.424 4.058 20 30 DIEDHN CC(C)CC[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339069269 333507904 /nfs/dbraw/zinc/50/79/04/333507904.db2.gz SLFRDDDUILVYGD-QGZVFWFLSA-N 0 3 308.853 4.337 20 30 DIEDHN C=C[C@H](CC(=O)Nc1cc(C)cc(CN(C)C)c1)c1ccccc1 ZINC000533967294 333552211 /nfs/dbraw/zinc/55/22/11/333552211.db2.gz LNFUVNPYBJCABL-GOSISDBHSA-N 0 3 322.452 4.355 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2c1cccc2O ZINC000571137907 333668015 /nfs/dbraw/zinc/66/80/15/333668015.db2.gz JKMFDLPQPDJRKW-UXHICEINSA-N 0 3 318.420 4.308 20 30 DIEDHN C=CCC[C@H](NCc1csc(C(=O)OC)c1)c1ccccc1 ZINC000411468662 333677802 /nfs/dbraw/zinc/67/78/02/333677802.db2.gz CMEDIPUDZKOQLV-INIZCTEOSA-N 0 3 315.438 4.332 20 30 DIEDHN C=C(CC)CN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451298656 333810943 /nfs/dbraw/zinc/81/09/43/333810943.db2.gz XCUWINZWGJCORH-UHFFFAOYSA-N 0 3 304.381 4.308 20 30 DIEDHN CCOc1ccc([C@H](C)NCC(C)(C)CC#N)cc1OCC ZINC000414164952 333916118 /nfs/dbraw/zinc/91/61/18/333916118.db2.gz KZXAFPWZUCOIFR-AWEZNQCLSA-N 0 3 304.434 4.074 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(Br)s1 ZINC000414166648 333916335 /nfs/dbraw/zinc/91/63/35/333916335.db2.gz OCAXLCZYRCVMGQ-VIFPVBQESA-N 0 3 301.253 4.101 20 30 DIEDHN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nccs1 ZINC000414214559 333922830 /nfs/dbraw/zinc/92/28/30/333922830.db2.gz VOJJJJIMNNISNQ-NXVRBGIVSA-N 0 3 311.454 4.198 20 30 DIEDHN CC(C)(C)c1ccncc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000414234065 333927597 /nfs/dbraw/zinc/92/75/97/333927597.db2.gz SGHKURTXWHVIRU-LJQANCHMSA-N 0 3 305.425 4.028 20 30 DIEDHN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002431 333978024 /nfs/dbraw/zinc/97/80/24/333978024.db2.gz CZMXBXYNERHZGH-ORAYPTAESA-N 0 3 310.372 4.066 20 30 DIEDHN C=CCc1cc(CN[C@@H](CC)c2ccccc2)cc(OC)c1O ZINC000414491210 333995858 /nfs/dbraw/zinc/99/58/58/333995858.db2.gz CLERDWHPXXXGTR-SFHVURJKSA-N 0 3 311.425 4.370 20 30 DIEDHN CC(C)Oc1cccc(CN(C)Cc2ccc(OCC#N)cc2)c1 ZINC000270317251 334011109 /nfs/dbraw/zinc/01/11/09/334011109.db2.gz JUUNYHVFOLIATG-UHFFFAOYSA-N 0 3 324.424 4.008 20 30 DIEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(CSC)s1 ZINC000414536892 334012557 /nfs/dbraw/zinc/01/25/57/334012557.db2.gz OCJHQUQYKLQPJA-OAHLLOKOSA-N 0 3 318.511 4.283 20 30 DIEDHN Cc1cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517152 334024209 /nfs/dbraw/zinc/02/42/09/334024209.db2.gz UFMYWQVEBJYVLU-GJZGRUSLSA-N 0 3 312.388 4.448 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(C#N)cc1 ZINC000271654956 334025269 /nfs/dbraw/zinc/02/52/69/334025269.db2.gz JXOKAQRGULLYFP-OAHLLOKOSA-N 0 3 303.409 4.210 20 30 DIEDHN N#CCCCN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000272625462 334038383 /nfs/dbraw/zinc/03/83/83/334038383.db2.gz ZBVBLADQJOSXEL-KRWDZBQOSA-N 0 3 316.351 4.271 20 30 DIEDHN CCCCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274574459 334063512 /nfs/dbraw/zinc/06/35/12/334063512.db2.gz BKYYMUHSFQLQCP-ZMSDIMECSA-N 0 3 316.445 4.217 20 30 DIEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCCC(C)(C)C#N ZINC000277830731 334091386 /nfs/dbraw/zinc/09/13/86/334091386.db2.gz WCOWTVFPGHZRDC-IVZQSRNASA-N 0 3 320.502 4.137 20 30 DIEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCCC(C)(C)C#N ZINC000277830737 334091400 /nfs/dbraw/zinc/09/14/00/334091400.db2.gz WCOWTVFPGHZRDC-QRQCRPRQSA-N 0 3 320.502 4.137 20 30 DIEDHN CC(C)COC[C@H](NCCCCC(C)(C)C#N)c1ccco1 ZINC000278665853 334099401 /nfs/dbraw/zinc/09/94/01/334099401.db2.gz HZZSIMQKQCAOCT-INIZCTEOSA-N 0 3 306.450 4.303 20 30 DIEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCCC(C)(C)C#N ZINC000278812776 334101747 /nfs/dbraw/zinc/10/17/47/334101747.db2.gz BQYDBIUBWGFYER-MRXNPFEDSA-N 0 3 308.853 4.289 20 30 DIEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000279651588 334110765 /nfs/dbraw/zinc/11/07/65/334110765.db2.gz BYFZWZTZYSIPSC-AHRSYUTCSA-N 0 3 308.425 4.397 20 30 DIEDHN C[C@@H]1CCN(CCCC2(C#N)CCOCC2)[C@@H](c2ccco2)C1 ZINC000281901005 334129469 /nfs/dbraw/zinc/12/94/69/334129469.db2.gz FPMTYISMJPACRY-IAGOWNOFSA-N 0 3 316.445 4.153 20 30 DIEDHN C[C@H]1CCN(CCCC2(C#N)CCOCC2)[C@H](c2ccco2)C1 ZINC000281901007 334129504 /nfs/dbraw/zinc/12/95/04/334129504.db2.gz FPMTYISMJPACRY-IRXDYDNUSA-N 0 3 316.445 4.153 20 30 DIEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1Cl ZINC000282023820 334130517 /nfs/dbraw/zinc/13/05/17/334130517.db2.gz PJYSKCSKBRQODD-CYBMUJFWSA-N 0 3 324.827 4.230 20 30 DIEDHN CC(C)N(CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000282070473 334130962 /nfs/dbraw/zinc/13/09/62/334130962.db2.gz SVGMRGBQHSWIEG-UHFFFAOYSA-N 0 3 318.436 4.137 20 30 DIEDHN Cc1cccc(C2=CCN(CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282136166 334131816 /nfs/dbraw/zinc/13/18/16/334131816.db2.gz ZDLKMKXNEJZPLW-UHFFFAOYSA-N 0 3 324.468 4.185 20 30 DIEDHN COC[C@@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288773495 334162107 /nfs/dbraw/zinc/16/21/07/334162107.db2.gz JTXLRZUIYXDQKI-MRXNPFEDSA-N 0 3 308.853 4.337 20 30 DIEDHN CCN(Cc1ccc(N(C)CCC#N)cc1)[C@H](C)c1cccnc1 ZINC000290392325 334172552 /nfs/dbraw/zinc/17/25/52/334172552.db2.gz IYESRKBJYRCYIV-QGZVFWFLSA-N 0 3 322.456 4.015 20 30 DIEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445163 334203772 /nfs/dbraw/zinc/20/37/72/334203772.db2.gz LGSCEOTXCHREMV-UZLBHIALSA-N 0 3 308.425 4.265 20 30 DIEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445160 334203776 /nfs/dbraw/zinc/20/37/76/334203776.db2.gz LGSCEOTXCHREMV-OXJNMPFZSA-N 0 3 308.425 4.265 20 30 DIEDHN CN(CCCCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296307570 334231675 /nfs/dbraw/zinc/23/16/75/334231675.db2.gz NVXLCRKXGRTCHQ-MRXNPFEDSA-N 0 3 308.853 4.025 20 30 DIEDHN Cc1ccc2c(c1)CC[C@H]2NCc1ccc(N(C)CCC#N)cc1 ZINC000299364643 334254952 /nfs/dbraw/zinc/25/49/52/334254952.db2.gz WULGXEAFDABYLX-OAQYLSRUSA-N 0 3 319.452 4.122 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000187664199 334268716 /nfs/dbraw/zinc/26/87/16/334268716.db2.gz AXDJSIXDMMQYLU-OAHLLOKOSA-N 0 3 324.399 4.302 20 30 DIEDHN C=C[C@H](CC(=O)Nc1cc(CN(C)C)ccc1C)c1ccccc1 ZINC000120521420 334317256 /nfs/dbraw/zinc/31/72/56/334317256.db2.gz KNTBAFVLBLRQNC-GOSISDBHSA-N 0 3 322.452 4.355 20 30 DIEDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303961998 334350476 /nfs/dbraw/zinc/35/04/76/334350476.db2.gz ZYWAUSYCEPUNDD-MOPGFXCFSA-N 0 3 312.457 4.118 20 30 DIEDHN C=C(CNCc1c(C2CC2)nc2sccn12)c1ccccc1 ZINC000341181766 334416398 /nfs/dbraw/zinc/41/63/98/334416398.db2.gz JDTLNTOOYNBLMQ-UHFFFAOYSA-N 0 3 309.438 4.076 20 30 DIEDHN C=CCOc1ccc(CN2CCC(c3ccc(C)nc3)CC2)cc1 ZINC000341565246 334453015 /nfs/dbraw/zinc/45/30/15/334453015.db2.gz ONKAZZZWMXJKCC-UHFFFAOYSA-N 0 3 322.452 4.334 20 30 DIEDHN COc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682974 334469903 /nfs/dbraw/zinc/46/99/03/334469903.db2.gz KLXBRULJBXSZSJ-DJJJIMSYSA-N 0 3 324.399 4.434 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2c1cccc2F ZINC000341700041 334471478 /nfs/dbraw/zinc/47/14/78/334471478.db2.gz SPDPOJVNKRXVLY-WOJBJXKFSA-N 0 3 306.384 4.352 20 30 DIEDHN CCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758416 334477651 /nfs/dbraw/zinc/47/76/51/334477651.db2.gz PILRTAJFGXASQS-FQEVSTJZSA-N 0 3 306.409 4.124 20 30 DIEDHN COc1cccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759528 334478093 /nfs/dbraw/zinc/47/80/93/334478093.db2.gz GPDCXKGWOCOJSO-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCC[C@@H](NCC(=O)N1CCCC[C@H]1CC)c1ccccc1 ZINC000341937058 334494288 /nfs/dbraw/zinc/49/42/88/334494288.db2.gz BIPVRPUTYMHDJB-RTBURBONSA-N 0 3 314.473 4.075 20 30 DIEDHN CCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375919 334765193 /nfs/dbraw/zinc/76/51/93/334765193.db2.gz ZYMVILMFNCQNSO-PMACEKPBSA-N 0 3 305.425 4.462 20 30 DIEDHN Cc1cc(CNCc2cccc(-c3ccccn3)c2)ccc1C#N ZINC000443993960 338466008 /nfs/dbraw/zinc/46/60/08/338466008.db2.gz NQAMVNMBTBXGOB-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393393 334820682 /nfs/dbraw/zinc/82/06/82/334820682.db2.gz UGPYJAKWCLVZSU-YJYMSZOUSA-N 0 3 321.380 4.195 20 30 DIEDHN CCC1(CC)[C@H](N[C@H](CCC#N)c2ccccc2)C[C@@H]1OC ZINC000344328680 335241154 /nfs/dbraw/zinc/24/11/54/335241154.db2.gz LZXBNGCCOKFSJO-KURKYZTESA-N 0 3 300.446 4.215 20 30 DIEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)cc2cccnc12 ZINC000346117048 335376039 /nfs/dbraw/zinc/37/60/39/335376039.db2.gz APISHHOTROHCCF-UHFFFAOYSA-N 0 3 301.393 4.047 20 30 DIEDHN N#CCCCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000346812994 335443133 /nfs/dbraw/zinc/44/31/33/335443133.db2.gz YAFHSMWEURXASU-CQSZACIVSA-N 0 3 315.417 4.220 20 30 DIEDHN CC[C@@H](C)N(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000028963552 335716816 /nfs/dbraw/zinc/71/68/16/335716816.db2.gz FTASNFZIFIKHPZ-MRXNPFEDSA-N 0 3 303.409 4.231 20 30 DIEDHN Cc1cc(Cl)cc2c1OCCC[C@H]2NCC1(CC#N)CC1 ZINC000430755161 335722153 /nfs/dbraw/zinc/72/21/53/335722153.db2.gz PMPDOYQYTNQYFY-OAHLLOKOSA-N 0 3 304.821 4.146 20 30 DIEDHN N#Cc1ccccc1COc1cccc(CN2CCCCC2)c1 ZINC000535842804 335793482 /nfs/dbraw/zinc/79/34/82/335793482.db2.gz WHLGNYFGYAWGCL-UHFFFAOYSA-N 0 3 306.409 4.123 20 30 DIEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000114723672 335818031 /nfs/dbraw/zinc/81/80/31/335818031.db2.gz DUUSNKAFUUSBSH-UHFFFAOYSA-N 0 3 320.436 4.356 20 30 DIEDHN CC[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1F ZINC000519861240 335902237 /nfs/dbraw/zinc/90/22/37/335902237.db2.gz WMEPKZPVLQONRA-VQIMIIECSA-N 0 3 324.399 4.132 20 30 DIEDHN Cc1ccc2c(c1)CC[C@H]2NCc1cccc(OCCCC#N)c1 ZINC000520216010 335937510 /nfs/dbraw/zinc/93/75/10/335937510.db2.gz NKHOZMFRQIAAGG-OAQYLSRUSA-N 0 3 320.436 4.455 20 30 DIEDHN C[C@@H](CCC#N)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000351494375 336038401 /nfs/dbraw/zinc/03/84/01/336038401.db2.gz RBPSUDCVGFDZPR-ZDUSSCGKSA-N 0 3 321.262 4.105 20 30 DIEDHN CCC1CCC(N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000332622480 336176714 /nfs/dbraw/zinc/17/67/14/336176714.db2.gz CRWUXXXYALCRHS-UHFFFAOYSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695805 336179165 /nfs/dbraw/zinc/17/91/65/336179165.db2.gz VAVBJGNHYZAWJL-WBVHZDCISA-N 0 3 324.428 4.009 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1ccccn1 ZINC000532623484 336257611 /nfs/dbraw/zinc/25/76/11/336257611.db2.gz CLDDZEASUXBUHQ-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774769 336261345 /nfs/dbraw/zinc/26/13/45/336261345.db2.gz NCQHZQYDVSUGSF-XUJVJEKNSA-N 0 3 307.235 4.182 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000192943091 336285451 /nfs/dbraw/zinc/28/54/51/336285451.db2.gz UQBUBWPEJVUKNC-QRWLVFNGSA-N 0 3 306.409 4.317 20 30 DIEDHN C[C@H](N[C@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000192943077 336285490 /nfs/dbraw/zinc/28/54/90/336285490.db2.gz UQBUBWPEJVUKNC-YWZLYKJASA-N 0 3 306.409 4.317 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000192977784 336286444 /nfs/dbraw/zinc/28/64/44/336286444.db2.gz UHUGGXIMRCHKSF-STQMWFEESA-N 0 3 316.351 4.279 20 30 DIEDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000192988677 336286629 /nfs/dbraw/zinc/28/66/29/336286629.db2.gz OZMUEPJEEOPHLF-MRXNPFEDSA-N 0 3 305.425 4.009 20 30 DIEDHN COc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988705 336286654 /nfs/dbraw/zinc/28/66/54/336286654.db2.gz USVSSVCNUYAUNQ-JLTOFOAXSA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@@H](N[C@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018619 336287072 /nfs/dbraw/zinc/28/70/72/336287072.db2.gz PNRYBXZKAMXTAR-KDOFPFPSSA-N 0 3 324.449 4.477 20 30 DIEDHN C[C@H](c1ccccc1)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301320880 336300539 /nfs/dbraw/zinc/30/05/39/336300539.db2.gz SKMSMQGYRCAEMC-OAHLLOKOSA-N 0 3 323.415 4.335 20 30 DIEDHN C=C(C)CN1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301330018 336300882 /nfs/dbraw/zinc/30/08/82/336300882.db2.gz KTMDFFUJLVXNEB-UHFFFAOYSA-N 0 3 323.362 4.029 20 30 DIEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142314 336375167 /nfs/dbraw/zinc/37/51/67/336375167.db2.gz QKIHZJCPPZMJPX-FZKQIMNGSA-N 0 3 314.816 4.250 20 30 DIEDHN C[C@H](c1ccccc1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353011123 336381965 /nfs/dbraw/zinc/38/19/65/336381965.db2.gz XXMAACAZYWHMRJ-OAHLLOKOSA-N 0 3 324.399 4.302 20 30 DIEDHN Cc1cccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000353016602 336382077 /nfs/dbraw/zinc/38/20/77/336382077.db2.gz ASFHPVIHHXAUCP-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN Cc1cc([C@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000353499215 336420713 /nfs/dbraw/zinc/42/07/13/336420713.db2.gz CFLCLRNHACZQFF-HNNXBMFYSA-N 0 3 323.440 4.088 20 30 DIEDHN Cn1cnc2cc(CN[C@@H](CCCC#N)c3ccccc3)ccc21 ZINC000353910869 336447291 /nfs/dbraw/zinc/44/72/91/336447291.db2.gz AJDADCVNGSJSQB-SFHVURJKSA-N 0 3 318.424 4.098 20 30 DIEDHN COCCCC[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000355334751 336504510 /nfs/dbraw/zinc/50/45/10/336504510.db2.gz SNXLFBVUFZFNAH-SFHVURJKSA-N 0 3 314.454 4.267 20 30 DIEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782048 336560883 /nfs/dbraw/zinc/56/08/83/336560883.db2.gz KHSVMHHVININDX-SJLPKXTDSA-N 0 3 323.465 4.368 20 30 DIEDHN CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000360654976 336717635 /nfs/dbraw/zinc/71/76/35/336717635.db2.gz BCLRZMGDBGMVLD-VQTJNVASSA-N 0 3 305.425 4.462 20 30 DIEDHN CC(C)c1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418136764 336897110 /nfs/dbraw/zinc/89/71/10/336897110.db2.gz AUIWWHHVYVQFRA-KRWDZBQOSA-N 0 3 311.454 4.305 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(Cl)cs1 ZINC000418152117 336898160 /nfs/dbraw/zinc/89/81/60/336898160.db2.gz XWBROMNJTUWZPU-MRXNPFEDSA-N 0 3 302.830 4.440 20 30 DIEDHN C[C@@H](NCc1ccc(-c2ccncc2)cc1)c1cccc(C#N)c1 ZINC000371510154 336906570 /nfs/dbraw/zinc/90/65/70/336906570.db2.gz RWZFMANDHPVZPX-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN CC(C)(CCC#N)CN[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000371580235 336908388 /nfs/dbraw/zinc/90/83/88/336908388.db2.gz CHKALFHIKXJZON-QGZVFWFLSA-N 0 3 314.477 4.295 20 30 DIEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178176 337029068 /nfs/dbraw/zinc/02/90/68/337029068.db2.gz OJYCFSKEFNKVQW-IERDGZPVSA-N 0 3 320.436 4.377 20 30 DIEDHN N#CCCCOc1cccc(CN2CCC[C@H]2c2ccncc2)c1 ZINC000377698816 337058894 /nfs/dbraw/zinc/05/88/94/337058894.db2.gz PSFGZAYQIZLNGL-FQEVSTJZSA-N 0 3 321.424 4.101 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377795887 337061254 /nfs/dbraw/zinc/06/12/54/337061254.db2.gz IJTBRELVRDYESM-YSGRDPCXSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc(Br)cs1 ZINC000193966607 337080844 /nfs/dbraw/zinc/08/08/44/337080844.db2.gz NHSABYKYLXJTGV-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOc1ccccc1Cl ZINC000532897921 337134049 /nfs/dbraw/zinc/13/40/49/337134049.db2.gz WMKUMIXQMRDOPC-AWEZNQCLSA-N 0 3 314.816 4.283 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 ZINC000174369143 337141191 /nfs/dbraw/zinc/14/11/91/337141191.db2.gz WYLPDQLLKYADHK-HOTGVXAUSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000177391331 337155739 /nfs/dbraw/zinc/15/57/39/337155739.db2.gz LCLPZTZFLBWZDC-HZPDHXFCSA-N 0 3 316.408 4.156 20 30 DIEDHN Cn1cccc1[C@@H]1CCCN1Cc1cccc(OCCCC#N)c1 ZINC000179705986 337169095 /nfs/dbraw/zinc/16/90/95/337169095.db2.gz UZIFNUIRQYJOSM-FQEVSTJZSA-N 0 3 323.440 4.045 20 30 DIEDHN C=CCCN(CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000532904198 337255037 /nfs/dbraw/zinc/25/50/37/337255037.db2.gz UGDNFPPZAAMQCQ-UHFFFAOYSA-N 0 3 315.244 4.220 20 30 DIEDHN C=C(C)[C@@H](NCCCCn1ccnc1C)c1ccc(F)c(F)c1 ZINC000187759041 337268110 /nfs/dbraw/zinc/26/81/10/337268110.db2.gz RBYIDCBMHOBINA-GOSISDBHSA-N 0 3 319.399 4.157 20 30 DIEDHN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(OCC#N)cc1 ZINC000189371844 337278949 /nfs/dbraw/zinc/27/89/49/337278949.db2.gz MUFMJMHWQGZGSC-DNVCBOLYSA-N 0 3 322.408 4.072 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000584583640 337368417 /nfs/dbraw/zinc/36/84/17/337368417.db2.gz MMGBQOZWTMEADB-MRXNPFEDSA-N 0 3 308.347 4.342 20 30 DIEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000429427776 337481843 /nfs/dbraw/zinc/48/18/43/337481843.db2.gz HYFCCNUQYSKCKQ-KBPBESRZSA-N 0 3 314.816 4.330 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594992 337644913 /nfs/dbraw/zinc/64/49/13/337644913.db2.gz YUJHVKGVTYGVCX-OXJNMPFZSA-N 0 3 323.436 4.257 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000421871800 337657391 /nfs/dbraw/zinc/65/73/91/337657391.db2.gz GEXBPOHEXCZHBZ-QGZVFWFLSA-N 0 3 307.422 4.268 20 30 DIEDHN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442994 337719358 /nfs/dbraw/zinc/71/93/58/337719358.db2.gz PYIMQAIMVDTPHZ-SCLBCKFNSA-N 0 3 321.424 4.093 20 30 DIEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000424134012 337752876 /nfs/dbraw/zinc/75/28/76/337752876.db2.gz XUKXINGEJMVZGS-GLQYFDAESA-N 0 3 307.235 4.182 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527990769 337778310 /nfs/dbraw/zinc/77/83/10/337778310.db2.gz ABDVSAAPHKKHAV-OALUTQOASA-N 0 3 308.812 4.476 20 30 DIEDHN CC[C@@H](N[C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043148 337785684 /nfs/dbraw/zinc/78/56/84/337785684.db2.gz LIYPYCBBDSDHDT-UYAOXDASSA-N 0 3 321.424 4.154 20 30 DIEDHN Cc1cc(Cl)c2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424332349 337822403 /nfs/dbraw/zinc/82/24/03/337822403.db2.gz SUSJCGUXCHBWQN-ZENOOKHLSA-N 0 3 304.821 4.144 20 30 DIEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Br ZINC000424334029 337822588 /nfs/dbraw/zinc/82/25/88/337822588.db2.gz VFVJXIGRJMQTGV-YWPYICTPSA-N 0 3 307.235 4.182 20 30 DIEDHN Cc1ccc([C@H]2OCCC[C@H]2NCc2ccc(C#N)cc2F)cc1 ZINC000533309301 337840575 /nfs/dbraw/zinc/84/05/75/337840575.db2.gz DVGILCOYIDNYGC-WOJBJXKFSA-N 0 3 324.399 4.016 20 30 DIEDHN N#Cc1ccc(CNCCCSc2ccc(F)cc2)c(F)c1 ZINC000533311559 337840696 /nfs/dbraw/zinc/84/06/96/337840696.db2.gz RPTSZPSMMBRITM-UHFFFAOYSA-N 0 3 318.392 4.108 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000118392102 337850531 /nfs/dbraw/zinc/85/05/31/337850531.db2.gz FSJJCQPLEWIYMB-HNNXBMFYSA-N 0 3 306.409 4.204 20 30 DIEDHN N#Cc1cccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121878802 337900221 /nfs/dbraw/zinc/90/02/21/337900221.db2.gz ILTTVZKLXURZHU-FQEVSTJZSA-N 0 3 318.420 4.050 20 30 DIEDHN CC(C)(C)c1cccc(OCCNCc2ccc(C#N)s2)c1 ZINC000537299673 337929267 /nfs/dbraw/zinc/92/92/67/337929267.db2.gz NOMKIJIPZNWRLU-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN CCN(Cc1cc(C#N)ccc1F)[C@H](C)Cc1ccsc1 ZINC000426481598 338033387 /nfs/dbraw/zinc/03/33/87/338033387.db2.gz GZQKKJVUTGJSHI-CYBMUJFWSA-N 0 3 302.418 4.212 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000428575619 338056610 /nfs/dbraw/zinc/05/66/10/338056610.db2.gz QAQZVVYPFGFXCN-RBUKOAKNSA-N 0 3 324.468 4.378 20 30 DIEDHN N#Cc1ccc(CN(C2CCC2)C2CCC2)c(OC(F)F)c1 ZINC000429125827 338071334 /nfs/dbraw/zinc/07/13/34/338071334.db2.gz FYWNBVTWSSXBSG-UHFFFAOYSA-N 0 3 306.356 4.067 20 30 DIEDHN CC(C)(C#N)CCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429142214 338071686 /nfs/dbraw/zinc/07/16/86/338071686.db2.gz NIWZBTPJFVVPEJ-OAHLLOKOSA-N 0 3 308.878 4.446 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429573616 338084642 /nfs/dbraw/zinc/08/46/42/338084642.db2.gz BIOYDHCLMWVNNB-GJZGRUSLSA-N 0 3 318.486 4.024 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCC[C@@H]1CC ZINC000429783209 338089743 /nfs/dbraw/zinc/08/97/43/338089743.db2.gz IAQSBWZDNLHHDI-GJZGRUSLSA-N 0 3 318.486 4.072 20 30 DIEDHN CC[C@@H]1CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430196493 338100703 /nfs/dbraw/zinc/10/07/03/338100703.db2.gz RMEBODOECNIWJU-LJQANCHMSA-N 0 3 306.409 4.122 20 30 DIEDHN COc1cccc(C[C@@H](NCC2(CC#N)CC2)c2ccccc2)c1 ZINC000430720715 338112269 /nfs/dbraw/zinc/11/22/69/338112269.db2.gz AQPPFJFFHYGASM-HXUWFJFHSA-N 0 3 320.436 4.262 20 30 DIEDHN C[C@@H]1C[C@H](NCC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739297 338112909 /nfs/dbraw/zinc/11/29/09/338112909.db2.gz HOVXBOIAPHYMJV-RISCZKNCSA-N 0 3 319.246 4.281 20 30 DIEDHN N#CCC1(CN[C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000430743463 338113200 /nfs/dbraw/zinc/11/32/00/338113200.db2.gz OZPMQFUZFWTSBU-QGZVFWFLSA-N 0 3 310.441 4.497 20 30 DIEDHN N#CCC1(CN[C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000430743462 338113205 /nfs/dbraw/zinc/11/32/05/338113205.db2.gz OZPMQFUZFWTSBU-KRWDZBQOSA-N 0 3 310.441 4.497 20 30 DIEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)c2ccccc2)cc1 ZINC000430752473 338113607 /nfs/dbraw/zinc/11/36/07/338113607.db2.gz GQHZGIFZXKZYCP-IBGZPJMESA-N 0 3 306.409 4.068 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCSC2(CCCCC2)C1 ZINC000430766897 338114247 /nfs/dbraw/zinc/11/42/47/338114247.db2.gz IDEHJYGXCIDPPN-OAHLLOKOSA-N 0 3 300.471 4.371 20 30 DIEDHN C=CCOc1ccc(CN2CC3(CCC3)C[C@@H]2C)cc1OC ZINC000432800705 338168487 /nfs/dbraw/zinc/16/84/87/338168487.db2.gz PSCZPYYVBHJUAM-HNNXBMFYSA-N 0 3 301.430 4.025 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433026610 338177007 /nfs/dbraw/zinc/17/70/07/338177007.db2.gz GTMUGXRAKIJPTM-IBGZPJMESA-N 0 3 319.408 4.092 20 30 DIEDHN CN(CCSCc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000433027603 338177170 /nfs/dbraw/zinc/17/71/70/338177170.db2.gz LUKVCUUZKCCTHX-UHFFFAOYSA-N 0 3 310.466 4.118 20 30 DIEDHN CC(C)CCC[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433222701 338186485 /nfs/dbraw/zinc/18/64/85/338186485.db2.gz WKLBORNRJOPVSM-AEFFLSMTSA-N 0 3 300.446 4.090 20 30 DIEDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433227849 338186582 /nfs/dbraw/zinc/18/65/82/338186582.db2.gz MRJVFUHUOSEVPW-QAPCUYQASA-N 0 3 324.399 4.118 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N(CC1CCCCC1)C1CC1 ZINC000433305168 338190761 /nfs/dbraw/zinc/19/07/61/338190761.db2.gz MVXSNASVLRGTSB-LJQANCHMSA-N 0 3 324.468 4.330 20 30 DIEDHN CN(CCC1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433343632 338193459 /nfs/dbraw/zinc/19/34/59/338193459.db2.gz OPVUBORKDZQTCV-IBGZPJMESA-N 0 3 312.457 4.188 20 30 DIEDHN Cc1cccc(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433344622 338193498 /nfs/dbraw/zinc/19/34/98/338193498.db2.gz SOOSYYARFWARDW-SFHVURJKSA-N 0 3 320.436 4.119 20 30 DIEDHN Cc1cccc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)c1C ZINC000433348588 338193578 /nfs/dbraw/zinc/19/35/78/338193578.db2.gz APRKYZSGVDWHFX-HKUYNNGSSA-N 0 3 320.436 4.253 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC2(CCCCC2)C1 ZINC000433355235 338193640 /nfs/dbraw/zinc/19/36/40/338193640.db2.gz VJOCXKOVYYGBHG-LJQANCHMSA-N 0 3 324.468 4.332 20 30 DIEDHN Cc1cc(C)cc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433357148 338193687 /nfs/dbraw/zinc/19/36/87/338193687.db2.gz VALPXNLRXPIANY-HKUYNNGSSA-N 0 3 320.436 4.253 20 30 DIEDHN Cc1cc(C)cc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433357149 338193787 /nfs/dbraw/zinc/19/37/87/338193787.db2.gz VALPXNLRXPIANY-IEBWSBKVSA-N 0 3 320.436 4.253 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccccc1Br ZINC000435672067 338244823 /nfs/dbraw/zinc/24/48/23/338244823.db2.gz HFQDLAISQUBUSV-ZENOOKHLSA-N 0 3 324.262 4.081 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccc1Br ZINC000435672063 338244856 /nfs/dbraw/zinc/24/48/56/338244856.db2.gz HFQDLAISQUBUSV-WWGRRREGSA-N 0 3 324.262 4.081 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1Cl ZINC000435735448 338246924 /nfs/dbraw/zinc/24/69/24/338246924.db2.gz MYLFWGVMFKPSTP-NHYWBVRUSA-N 0 3 300.229 4.064 20 30 DIEDHN CCN(Cc1ccc(C)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000436481719 338273613 /nfs/dbraw/zinc/27/36/13/338273613.db2.gz DFZLHBDVTKGNBT-MRXNPFEDSA-N 0 3 308.425 4.458 20 30 DIEDHN CCN(Cc1ccc(C)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000436481718 338273765 /nfs/dbraw/zinc/27/37/65/338273765.db2.gz DFZLHBDVTKGNBT-INIZCTEOSA-N 0 3 308.425 4.458 20 30 DIEDHN C=CCOc1cccc(CN[C@@H](CC(F)(F)F)C(C)C)c1 ZINC000438465808 338344611 /nfs/dbraw/zinc/34/46/11/338344611.db2.gz CDSDARNOQCSKHR-HNNXBMFYSA-N 0 3 301.352 4.318 20 30 DIEDHN CCN(CCc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000439441933 338369701 /nfs/dbraw/zinc/36/97/01/338369701.db2.gz QTHRMBLVBRNDKW-UHFFFAOYSA-N 0 3 304.846 4.338 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000442765941 338429908 /nfs/dbraw/zinc/42/99/08/338429908.db2.gz KEXJRVIBVJOARD-OXQOHEQNSA-N 0 3 318.420 4.070 20 30 DIEDHN COc1ccccc1Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442776442 338430387 /nfs/dbraw/zinc/43/03/87/338430387.db2.gz HKRBBXUWNMIHMC-SJORKVTESA-N 0 3 322.408 4.269 20 30 DIEDHN COc1ccccc1Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442776433 338430475 /nfs/dbraw/zinc/43/04/75/338430475.db2.gz HKRBBXUWNMIHMC-DLBZAZTESA-N 0 3 322.408 4.269 20 30 DIEDHN Cc1cc([C@H](C)NCCSCc2ccccc2C#N)c(C)o1 ZINC000447533965 338554923 /nfs/dbraw/zinc/55/49/23/338554923.db2.gz TWYOTAUDEUDCFW-AWEZNQCLSA-N 0 3 314.454 4.352 20 30 DIEDHN CC1(C#N)CCC(N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000449125792 338595454 /nfs/dbraw/zinc/59/54/54/338595454.db2.gz KGOBMKZRXJABFV-IOJLRTSASA-N 0 3 305.425 4.233 20 30 DIEDHN CC1(C#N)CCC(N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000449125791 338595491 /nfs/dbraw/zinc/59/54/91/338595491.db2.gz KGOBMKZRXJABFV-GPJFCIFZSA-N 0 3 305.425 4.233 20 30 DIEDHN Cc1cc(CN[C@@H]2CCCc3c(F)cc(F)cc32)ccc1C#N ZINC000449347390 338615805 /nfs/dbraw/zinc/61/58/05/338615805.db2.gz CFYCENHKPZOJNK-LJQANCHMSA-N 0 3 312.363 4.312 20 30 DIEDHN C=CCC[C@@H](CC)NCc1nc(C)c(Br)s1 ZINC000449402244 338621158 /nfs/dbraw/zinc/62/11/58/338621158.db2.gz QHMRTCRGWWNZDW-SNVBAGLBSA-N 0 3 303.269 4.048 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449770426 338651494 /nfs/dbraw/zinc/65/14/94/338651494.db2.gz ITWBAXUROVZOAN-GXTWGEPZSA-N 0 3 317.845 4.094 20 30 DIEDHN C[C@@H](NC[C@@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222813 338810050 /nfs/dbraw/zinc/81/00/50/338810050.db2.gz RHFHSFHADUVHIE-TZMCWYRMSA-N 0 3 312.413 4.237 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cc2c(s1)CCC2 ZINC000453370199 338833090 /nfs/dbraw/zinc/83/30/90/338833090.db2.gz FTUWHUMALKTCGX-LLVKDONJSA-N 0 3 300.402 4.098 20 30 DIEDHN CCOc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccc1O ZINC000459579790 339037110 /nfs/dbraw/zinc/03/71/10/339037110.db2.gz AHBVPBMCKORMIJ-SFHVURJKSA-N 0 3 324.424 4.316 20 30 DIEDHN C[C@H](CCCc1cccnc1)NCc1ccc(C#N)cc1Cl ZINC000459638885 339039766 /nfs/dbraw/zinc/03/97/66/339039766.db2.gz NSRNHJWGAXWBCC-CQSZACIVSA-N 0 3 313.832 4.108 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000459671577 339042175 /nfs/dbraw/zinc/04/21/75/339042175.db2.gz WVGAXJNFNOZWJF-BXUZGUMPSA-N 0 3 306.793 4.058 20 30 DIEDHN CC(C)(CC#N)CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000459684262 339043077 /nfs/dbraw/zinc/04/30/77/339043077.db2.gz BWWZMZZEOSLVLK-UHFFFAOYSA-N 0 3 304.743 4.388 20 30 DIEDHN C=CCOc1cccc(CNC[C@H](C)Oc2cccc(C)c2)c1 ZINC000462741372 339086272 /nfs/dbraw/zinc/08/62/72/339086272.db2.gz TZWRUPXIJGPZKE-KRWDZBQOSA-N 0 3 311.425 4.117 20 30 DIEDHN C=CCOc1cccc(CNC[C@@H](C)Oc2cccc(C)c2)c1 ZINC000462741374 339086342 /nfs/dbraw/zinc/08/63/42/339086342.db2.gz TZWRUPXIJGPZKE-QGZVFWFLSA-N 0 3 311.425 4.117 20 30 DIEDHN COc1ccccc1[C@H](CC(C)C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000463239620 339111234 /nfs/dbraw/zinc/11/12/34/339111234.db2.gz YGQLRRVNTDQMHW-NUJGCVRESA-N 0 3 300.446 4.454 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCOc2cccc(C#N)c2)C1 ZINC000464743082 339150644 /nfs/dbraw/zinc/15/06/44/339150644.db2.gz YMRDGJCEJODDNX-QRWLVFNGSA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@H]1C[C@@H](c2ccccc2F)N(CCOc2cccc(C#N)c2)C1 ZINC000464743283 339150683 /nfs/dbraw/zinc/15/06/83/339150683.db2.gz YMRDGJCEJODDNX-YWZLYKJASA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000464852790 339157944 /nfs/dbraw/zinc/15/79/44/339157944.db2.gz CDWRZERSECOBRZ-WBVHZDCISA-N 0 3 310.397 4.003 20 30 DIEDHN C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000464855863 339158167 /nfs/dbraw/zinc/15/81/67/339158167.db2.gz HWIVBGSJVGHEQU-CRAIPNDOSA-N 0 3 310.397 4.003 20 30 DIEDHN N#Cc1cccc(CCNCc2ccc(-c3ccccc3F)o2)c1 ZINC000466426433 339204520 /nfs/dbraw/zinc/20/45/20/339204520.db2.gz UHJDIKBYUUBNLO-UHFFFAOYSA-N 0 3 320.367 4.290 20 30 DIEDHN N#Cc1ccc(CNC2CC(c3ccc(F)c(Cl)c3)C2)s1 ZINC000466476469 339206786 /nfs/dbraw/zinc/20/67/86/339206786.db2.gz YKPPVGOMGWDBMO-UHFFFAOYSA-N 0 3 320.820 4.448 20 30 DIEDHN N#CCSCCCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000467195896 339227894 /nfs/dbraw/zinc/22/78/94/339227894.db2.gz NPBSXRGLEJCGDL-UHFFFAOYSA-N 0 3 324.440 4.356 20 30 DIEDHN N#Cc1cccc(CCNC(c2ccccc2)c2ccccc2)c1 ZINC000467428485 339237865 /nfs/dbraw/zinc/23/78/65/339237865.db2.gz HTYOUNPYCKGBPH-UHFFFAOYSA-N 0 3 312.416 4.480 20 30 DIEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000467428853 339237926 /nfs/dbraw/zinc/23/79/26/339237926.db2.gz JOHSJIWHDKANMA-LBPRGKRZSA-N 0 3 302.780 4.244 20 30 DIEDHN C=C[C@](C)(CC)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000467517133 339240720 /nfs/dbraw/zinc/24/07/20/339240720.db2.gz CVSCLYFULFCXFH-LJQANCHMSA-N 0 3 300.446 4.213 20 30 DIEDHN N#Cc1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000468265674 339258060 /nfs/dbraw/zinc/25/80/60/339258060.db2.gz GPFYUQKBWWCUCO-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)ccc1F ZINC000468267858 339258208 /nfs/dbraw/zinc/25/82/08/339258208.db2.gz KDHAQJKGQHLNGR-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(F)c(C#N)c1 ZINC000468290086 339258986 /nfs/dbraw/zinc/25/89/86/339258986.db2.gz MVYZFBOIHXCOPR-FQEVSTJZSA-N 0 3 324.399 4.215 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469458715 339290197 /nfs/dbraw/zinc/29/01/97/339290197.db2.gz JKBIQCMXFPOYMH-XJKSGUPXSA-N 0 3 312.363 4.387 20 30 DIEDHN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(C)C#N)cc1 ZINC000469698145 339295759 /nfs/dbraw/zinc/29/57/59/339295759.db2.gz OJVHBNDPOGAPPN-HUUCEWRRSA-N 0 3 322.408 4.041 20 30 DIEDHN CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000469777861 339299162 /nfs/dbraw/zinc/29/91/62/339299162.db2.gz YHIQKEQJPRXXCF-CVEARBPZSA-N 0 3 308.878 4.366 20 30 DIEDHN C=CCN(CC=C)Cc1cc(Br)cc2cccnc21 ZINC000470199512 339313990 /nfs/dbraw/zinc/31/39/90/339313990.db2.gz DVKXCAURFJFULG-UHFFFAOYSA-N 0 3 317.230 4.171 20 30 DIEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1C(C)(C)C#N ZINC000470955838 339332788 /nfs/dbraw/zinc/33/27/88/339332788.db2.gz OYWAYXJIIXVFRF-JSGCOSHPSA-N 0 3 310.363 4.260 20 30 DIEDHN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000473471853 339385922 /nfs/dbraw/zinc/38/59/22/339385922.db2.gz OGGDKJQJCSBCGX-WBMJQRKESA-N 0 3 306.837 4.435 20 30 DIEDHN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000473471851 339385951 /nfs/dbraw/zinc/38/59/51/339385951.db2.gz OGGDKJQJCSBCGX-MLGOLLRUSA-N 0 3 306.837 4.435 20 30 DIEDHN C=C(C)[C@H](NC[C@@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317516 339445922 /nfs/dbraw/zinc/44/59/22/339445922.db2.gz ZZYFNYFFLJKTMB-YJBOKZPZSA-N 0 3 309.400 4.113 20 30 DIEDHN CC[C@@H](C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000480353067 339570142 /nfs/dbraw/zinc/57/01/42/339570142.db2.gz BMZMZTQUWZNUNW-FZKQIMNGSA-N 0 3 315.848 4.427 20 30 DIEDHN CC(C)Cc1ccc([C@H](NCc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000480370617 339570990 /nfs/dbraw/zinc/57/09/90/339570990.db2.gz GXZHHAWQCBCTEK-NRFANRHFSA-N 0 3 321.468 4.336 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cccc(C#N)c1 ZINC000481372757 339602650 /nfs/dbraw/zinc/60/26/50/339602650.db2.gz GAPSOHONYXYALZ-FZKQIMNGSA-N 0 3 314.816 4.077 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)cc1 ZINC000481383712 339602849 /nfs/dbraw/zinc/60/28/49/339602849.db2.gz SBOPYCYMTSEVDD-SCLBCKFNSA-N 0 3 314.816 4.077 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663317 339671256 /nfs/dbraw/zinc/67/12/56/339671256.db2.gz RHSYXKBKNXICRY-YUTCNCBUSA-N 0 3 317.408 4.435 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2ncsc2c1 ZINC000483713483 339672490 /nfs/dbraw/zinc/67/24/90/339672490.db2.gz UFSWLRVBERFAHU-NSHDSACASA-N 0 3 311.385 4.158 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000484057589 339680330 /nfs/dbraw/zinc/68/03/30/339680330.db2.gz IBVJBNKRMXAYSW-GOSISDBHSA-N 0 3 318.342 4.462 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000488133663 339771467 /nfs/dbraw/zinc/77/14/67/339771467.db2.gz YCMWCARRWLIFNY-GOSISDBHSA-N 0 3 309.369 4.016 20 30 DIEDHN Cc1cccc([C@@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000490036612 339824089 /nfs/dbraw/zinc/82/40/89/339824089.db2.gz DRPUCDQLRSXLSP-QGZVFWFLSA-N 0 3 320.436 4.471 20 30 DIEDHN CSc1ccccc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000501550652 340083307 /nfs/dbraw/zinc/08/33/07/340083307.db2.gz LOPQCZRRPGDHRW-CQSZACIVSA-N 0 3 312.438 4.010 20 30 DIEDHN N#Cc1ccccc1CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501848132 340089739 /nfs/dbraw/zinc/08/97/39/340089739.db2.gz IGLDCRTWHIJTTJ-UHFFFAOYSA-N 0 3 315.420 4.419 20 30 DIEDHN CC[C@H]1C[C@@]1(NCc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550155 340107508 /nfs/dbraw/zinc/10/75/08/340107508.db2.gz HHBSUIPLUDNYMV-PXNSSMCTSA-N 0 3 308.400 4.421 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](COc2ccccc2)C1 ZINC000505867380 340180022 /nfs/dbraw/zinc/18/00/22/340180022.db2.gz BQXMETKNDGIOTO-WMZOPIPTSA-N 0 3 306.409 4.020 20 30 DIEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1ccccc1Cl ZINC000505863243 340180137 /nfs/dbraw/zinc/18/01/37/340180137.db2.gz BEPQQRLUNNWJML-UHFFFAOYSA-N 0 3 303.837 4.139 20 30 DIEDHN N#Cc1ccc(CN(CCc2ccccc2)Cc2ccccc2)o1 ZINC000505881489 340180682 /nfs/dbraw/zinc/18/06/82/340180682.db2.gz MUCGTDOJEVZOLC-UHFFFAOYSA-N 0 3 316.404 4.396 20 30 DIEDHN C=CCOc1ccc(CN(C)Cc2sccc2C)cc1OC ZINC000506008702 340183157 /nfs/dbraw/zinc/18/31/57/340183157.db2.gz FBDOYYHVMQMTQU-UHFFFAOYSA-N 0 3 317.454 4.262 20 30 DIEDHN C=CCOc1ccc(CN(C)[C@H](C)c2ccccc2)cc1OC ZINC000506026523 340183636 /nfs/dbraw/zinc/18/36/36/340183636.db2.gz LMXAHSQOXICNJQ-MRXNPFEDSA-N 0 3 311.425 4.453 20 30 DIEDHN CC(C)(C)c1cccc(OCCCN2CCC(C)(C#N)CC2)c1 ZINC000506052850 340184460 /nfs/dbraw/zinc/18/44/60/340184460.db2.gz ZRWQHTJBMJLBOY-UHFFFAOYSA-N 0 3 314.473 4.379 20 30 DIEDHN C=CCOc1ccc(CN(C)Cc2cccc3[nH]ccc32)cc1 ZINC000506748040 340200868 /nfs/dbraw/zinc/20/08/68/340200868.db2.gz QJDIMPBJTUHMRO-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(C#N)s1 ZINC000507143619 340209543 /nfs/dbraw/zinc/20/95/43/340209543.db2.gz NPHLQUPRHFUXIT-GOSISDBHSA-N 0 3 312.438 4.138 20 30 DIEDHN N#Cc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000507178907 340211481 /nfs/dbraw/zinc/21/14/81/340211481.db2.gz FZWVHIINHAEJQH-UHFFFAOYSA-N 0 3 308.400 4.152 20 30 DIEDHN CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000507235123 340215040 /nfs/dbraw/zinc/21/50/40/340215040.db2.gz ZEMYLLWJHGXCCF-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN CC(C)CN(Cc1cc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000507718365 340229454 /nfs/dbraw/zinc/22/94/54/340229454.db2.gz NNESPAIBPUSJFY-UHFFFAOYSA-N 0 3 309.438 4.150 20 30 DIEDHN CCC(CC)[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279831 340355254 /nfs/dbraw/zinc/35/52/54/340355254.db2.gz NHZXMUJEVNKPDE-NRXGSXMXSA-N 0 3 318.436 4.332 20 30 DIEDHN C=C(C)CN(CCCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000512505829 340364610 /nfs/dbraw/zinc/36/46/10/340364610.db2.gz CLAPNTPVKAAVKP-UHFFFAOYSA-N 0 3 319.493 4.049 20 30 DIEDHN C[C@H](NCCc1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512612948 340369009 /nfs/dbraw/zinc/36/90/09/340369009.db2.gz QPUFPJRAKQRWGB-NSHDSACASA-N 0 3 320.770 4.383 20 30 DIEDHN Cc1ccc(SCCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512628851 340369787 /nfs/dbraw/zinc/36/97/87/340369787.db2.gz GINPVWCRWWZYST-CQSZACIVSA-N 0 3 314.429 4.449 20 30 DIEDHN Cc1cccc(OC[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642914 340370695 /nfs/dbraw/zinc/37/06/95/340370695.db2.gz UFOYFIHDZBHQHI-LSDHHAIUSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](N[C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650136 340371006 /nfs/dbraw/zinc/37/10/06/340371006.db2.gz XKKANJRZNBVKNW-ZBFHGGJFSA-N 0 3 316.420 4.230 20 30 DIEDHN C[C@@H](NC[C@@H](C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512653721 340371193 /nfs/dbraw/zinc/37/11/93/340371193.db2.gz GOPIKRJKCMDTQJ-CHWSQXEVSA-N 0 3 300.352 4.291 20 30 DIEDHN CC(C)(C)c1ccc(OCCNCc2ccc(C#N)cc2)cc1 ZINC000512808673 340378753 /nfs/dbraw/zinc/37/87/53/340378753.db2.gz DOHUWGZVJBEKDO-UHFFFAOYSA-N 0 3 308.425 4.024 20 30 DIEDHN CC[C@@]1(CN[C@H](C)c2cccc(C#N)c2)OCCc2ccccc21 ZINC000517442564 340469891 /nfs/dbraw/zinc/46/98/91/340469891.db2.gz UVHGFSXRIHYDHA-IERDGZPVSA-N 0 3 320.436 4.087 20 30 DIEDHN C=CC[C@H](C)N[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627549 340605962 /nfs/dbraw/zinc/60/59/62/340605962.db2.gz MKBXBUCZWDWVAD-LPHOPBHVSA-N 0 3 308.425 4.229 20 30 DIEDHN C=CC1CCN(Cc2c3ccccc3sc2C(=O)OC)CC1 ZINC000523606805 340629688 /nfs/dbraw/zinc/62/96/88/340629688.db2.gz WJQRGZHKVSAXFH-UHFFFAOYSA-N 0 3 315.438 4.086 20 30 DIEDHN Cc1ccc([C@H](CNc2ccc(Cl)cc2C#N)N(C)C)cc1 ZINC000303206845 340633735 /nfs/dbraw/zinc/63/37/35/340633735.db2.gz NLHCPKOCEUPIFV-SFHVURJKSA-N 0 3 313.832 4.235 20 30 DIEDHN C=CCC[C@H](O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000538258461 340815209 /nfs/dbraw/zinc/81/52/09/340815209.db2.gz YXDIPWGPMVPSRI-FXAWDEMLSA-N 0 3 313.416 4.026 20 30 DIEDHN COc1cc([C@H](C)NCCC(C)(C)C#N)ccc1OC(C)C ZINC000538513079 340830211 /nfs/dbraw/zinc/83/02/11/340830211.db2.gz TXZPPFNGBGKIFT-AWEZNQCLSA-N 0 3 304.434 4.073 20 30 DIEDHN CC(C)(C#N)CCN[C@@H](COCc1ccccc1)c1ccccc1 ZINC000538512372 340830229 /nfs/dbraw/zinc/83/02/29/340830229.db2.gz MVUNQLSSBQUODW-FQEVSTJZSA-N 0 3 322.452 4.474 20 30 DIEDHN C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000539506480 340888242 /nfs/dbraw/zinc/88/82/42/340888242.db2.gz IRKNYMDRPIVRDH-KBPBESRZSA-N 0 3 314.816 4.330 20 30 DIEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccccc1F ZINC000540168184 340919924 /nfs/dbraw/zinc/91/99/24/340919924.db2.gz CUIFIKGMGHGDRG-AWEZNQCLSA-N 0 3 314.429 4.281 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000540595140 340937408 /nfs/dbraw/zinc/93/74/08/340937408.db2.gz OBWGOGUNNIXECO-CZAAIQMYSA-N 0 3 320.436 4.438 20 30 DIEDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000540604940 340938127 /nfs/dbraw/zinc/93/81/27/340938127.db2.gz DTDDQAXYWSQQJL-LPMFXHHGSA-N 0 3 312.388 4.124 20 30 DIEDHN CC[C@@H](NCCOc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000541630012 340978533 /nfs/dbraw/zinc/97/85/33/340978533.db2.gz SRSNMAUVHGYCHZ-CQSZACIVSA-N 0 3 320.845 4.393 20 30 DIEDHN N#Cc1ccc(CNCCn2c3ccccc3c3ccccc32)o1 ZINC000542482193 341009399 /nfs/dbraw/zinc/00/93/99/341009399.db2.gz GYLYDPOSJJQMGD-UHFFFAOYSA-N 0 3 315.376 4.049 20 30 DIEDHN N#CCc1ccc(CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000543135547 341033543 /nfs/dbraw/zinc/03/35/43/341033543.db2.gz SEMSNYBFCAQFKN-UHFFFAOYSA-N 0 3 308.400 4.451 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(-c2ccccn2)c1 ZINC000130773002 341042441 /nfs/dbraw/zinc/04/24/41/341042441.db2.gz GRNJGSZHUKURPM-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN CCOc1cccc2cc([C@H](C)NCCC(C)(C)C#N)oc21 ZINC000543518800 341048331 /nfs/dbraw/zinc/04/83/31/341048331.db2.gz ZTAYVIDQICWYTK-ZDUSSCGKSA-N 0 3 300.402 4.422 20 30 DIEDHN C[C@H](NCCOCC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874139 341062189 /nfs/dbraw/zinc/06/21/89/341062189.db2.gz YPIREJNKGNFZJG-INIZCTEOSA-N 0 3 320.436 4.302 20 30 DIEDHN C[C@@H](NCCc1ccc(F)c(F)c1F)c1ccc(C#N)cc1F ZINC000544386285 341079657 /nfs/dbraw/zinc/07/96/57/341079657.db2.gz LFGUZJUXSCPSJK-SNVBAGLBSA-N 0 3 322.305 4.008 20 30 DIEDHN C=CCC[C@H](C)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575910 341086803 /nfs/dbraw/zinc/08/68/03/341086803.db2.gz IKNMDHBTZTUJJC-QFBILLFUSA-N 0 3 308.425 4.311 20 30 DIEDHN COc1ccc(C2(NCc3ccc(C#N)cc3)CCCC2)cc1 ZINC000131888443 341113200 /nfs/dbraw/zinc/11/32/00/341113200.db2.gz HMEWOIGCPJSRLF-UHFFFAOYSA-N 0 3 306.409 4.126 20 30 DIEDHN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000074336154 341144149 /nfs/dbraw/zinc/14/41/49/341144149.db2.gz NOXAXYIUHJGCNQ-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN N#CC(C(=O)c1ccc(C2CCCCC2)cc1)c1ccncn1 ZINC000546860890 341183871 /nfs/dbraw/zinc/18/38/71/341183871.db2.gz SVGVSWDUTAPUTH-QGZVFWFLSA-N 0 3 305.381 4.014 20 30 DIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000076733826 341213214 /nfs/dbraw/zinc/21/32/14/341213214.db2.gz ZWCOQHIOLMUCIT-AWEZNQCLSA-N 0 3 308.853 4.182 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cccc(C#N)c1 ZINC000076767087 341213686 /nfs/dbraw/zinc/21/36/86/341213686.db2.gz CWHKNHBCELZMCX-UGSOOPFHSA-N 0 3 314.816 4.077 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000135177710 341232892 /nfs/dbraw/zinc/23/28/92/341232892.db2.gz DOOFSXPNQHYIPY-LJQANCHMSA-N 0 3 319.452 4.174 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000135680653 341243986 /nfs/dbraw/zinc/24/39/86/341243986.db2.gz YZBHZWAEEQBAAQ-ZDUSSCGKSA-N 0 3 300.427 4.258 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000079065005 341252981 /nfs/dbraw/zinc/25/29/81/341252981.db2.gz NNKBLLMKTBPXJS-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN CCC[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488189 341263557 /nfs/dbraw/zinc/26/35/57/341263557.db2.gz YNRWPVCWHQATGA-DOTOQJQBSA-N 0 3 324.428 4.057 20 30 DIEDHN Cc1[nH]c2ccccc2c1C1=CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549527941 341296426 /nfs/dbraw/zinc/29/64/26/341296426.db2.gz YNHKDIPNYYDUKC-RDJZCZTQSA-N 0 3 305.425 4.258 20 30 DIEDHN C=CCOCCN(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000549866102 341305527 /nfs/dbraw/zinc/30/55/27/341305527.db2.gz MGNQSEPBVRPOAF-HNNXBMFYSA-N 0 3 316.470 4.314 20 30 DIEDHN N#Cc1cccc(COc2cccc(CN[C@H]3CCC[C@H]3F)c2)c1 ZINC000549935767 341307349 /nfs/dbraw/zinc/30/73/49/341307349.db2.gz NJANZJJBYGAUQK-UXHICEINSA-N 0 3 324.399 4.117 20 30 DIEDHN C=CCC(C)(C)CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000550855685 341324565 /nfs/dbraw/zinc/32/45/65/341324565.db2.gz CKOPYCTUUIAXNH-GFCCVEGCSA-N 0 3 305.853 4.480 20 30 DIEDHN Cc1cc(CNCc2ccc(OC3CCCC3)cc2)ccc1C#N ZINC000551580308 341346404 /nfs/dbraw/zinc/34/64/04/341346404.db2.gz CKTIADJGNBMCBZ-UHFFFAOYSA-N 0 3 320.436 4.478 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000551660248 341348313 /nfs/dbraw/zinc/34/83/13/341348313.db2.gz ULLBAMRAQFWPCW-MRXNPFEDSA-N 0 3 306.381 4.385 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000246445564 341349049 /nfs/dbraw/zinc/34/90/49/341349049.db2.gz BOWMKTOZKKBFEP-OXQOHEQNSA-N 0 3 305.425 4.196 20 30 DIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCC2 ZINC000551813243 341352626 /nfs/dbraw/zinc/35/26/26/341352626.db2.gz PPINNRMLVSKXII-HNNXBMFYSA-N 0 3 302.421 4.387 20 30 DIEDHN C=CCC[C@H](NCCc1ccc(OC)cc1OC)c1ccco1 ZINC000552047530 341364907 /nfs/dbraw/zinc/36/49/07/341364907.db2.gz POZAICWXMURLLS-KRWDZBQOSA-N 0 3 315.413 4.136 20 30 DIEDHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)cc1Cl ZINC000552097819 341369646 /nfs/dbraw/zinc/36/96/46/341369646.db2.gz NWKPURYQWXEWKE-SECBINFHSA-N 0 3 302.727 4.205 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3ccc(OC)cc32)cc1 ZINC000552319842 341386108 /nfs/dbraw/zinc/38/61/08/341386108.db2.gz QRJHYWYJCIEYKG-NRFANRHFSA-N 0 3 323.436 4.427 20 30 DIEDHN COc1ccc2oc([C@H](C)N[C@@H]3CCC[C@@H](C#N)C3)c(C)c2c1 ZINC000248832681 341388024 /nfs/dbraw/zinc/38/80/24/341388024.db2.gz MRRYDJDYHSRDCG-RRFJBIMHSA-N 0 3 312.413 4.483 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994715 341391471 /nfs/dbraw/zinc/39/14/71/341391471.db2.gz ONUBLTSBJQUGHP-XJKCOSOUSA-N 0 3 304.821 4.226 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059193 341392943 /nfs/dbraw/zinc/39/29/43/341392943.db2.gz ZLNCFWJXJNXBPD-XPKDYRNWSA-N 0 3 304.821 4.226 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000552586427 341399828 /nfs/dbraw/zinc/39/98/28/341399828.db2.gz HAFGKANXQKUYOP-GOSISDBHSA-N 0 3 308.400 4.152 20 30 DIEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432065 341622537 /nfs/dbraw/zinc/62/25/37/341622537.db2.gz DTZYGIXNQAWIOB-LSDHHAIUSA-N 0 3 310.397 4.009 20 30 DIEDHN CC#CCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000156548210 341622729 /nfs/dbraw/zinc/62/27/29/341622729.db2.gz NWCWYENCZYVWCB-UHFFFAOYSA-N 0 3 302.805 4.074 20 30 DIEDHN C[C@H](N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000158055625 341650663 /nfs/dbraw/zinc/65/06/63/341650663.db2.gz SHWXBZUYBDFLDB-VHFSOBRXSA-N 0 3 324.399 4.268 20 30 DIEDHN Cc1cc2c(cc1C)[C@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000568748207 341680224 /nfs/dbraw/zinc/68/02/24/341680224.db2.gz BJQXRMOBLGDVLD-HXUWFJFHSA-N 0 3 320.436 4.373 20 30 DIEDHN CCCc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000572710187 341701542 /nfs/dbraw/zinc/70/15/42/341701542.db2.gz HPXAIKWXIJOPOW-OAHLLOKOSA-N 0 3 308.425 4.370 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cc(C#N)cs1 ZINC000175978194 341854792 /nfs/dbraw/zinc/85/47/92/341854792.db2.gz QUPPMICMHOIEJX-GTNSWQLSSA-N 0 3 300.402 4.172 20 30 DIEDHN COc1cc(CNCc2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000576910997 341869184 /nfs/dbraw/zinc/86/91/84/341869184.db2.gz IEWJAXRMUAGPCX-UHFFFAOYSA-N 0 3 308.425 4.154 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(Br)cc1F ZINC000577096340 341885461 /nfs/dbraw/zinc/88/54/61/341885461.db2.gz AHVOXFMJXOYUDO-SNVBAGLBSA-N 0 3 313.214 4.179 20 30 DIEDHN Cc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1C#N ZINC000488135836 518187148 /nfs/dbraw/zinc/18/71/48/518187148.db2.gz HESBRTOEHMCSDL-RXVVDRJESA-N 0 3 320.436 4.124 20 30 DIEDHN CCCOCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181530239 520261024 /nfs/dbraw/zinc/26/10/24/520261024.db2.gz MCJMBYXRYGYFOQ-INIZCTEOSA-N 0 3 308.425 4.336 20 30 DIEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546140 522403344 /nfs/dbraw/zinc/40/33/44/522403344.db2.gz RNHLXMAPBJJPOZ-RHSMWYFYSA-N 0 3 324.428 4.009 20 30 DIEDHN CCc1nc2c(s1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154332741 522480952 /nfs/dbraw/zinc/48/09/52/522480952.db2.gz FHOXWCJDJVIPPE-SWLSCSKDSA-N 0 3 311.454 4.305 20 30 DIEDHN COc1ccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424630 525203302 /nfs/dbraw/zinc/20/33/02/525203302.db2.gz VLYOFDKGRCDLHZ-XOBRGWDASA-N 0 3 306.409 4.369 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000182050084 525372796 /nfs/dbraw/zinc/37/27/96/525372796.db2.gz XLHJMOPRFUHUAU-LJQANCHMSA-N 0 3 312.388 4.193 20 30 DIEDHN C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072256 525670084 /nfs/dbraw/zinc/67/00/84/525670084.db2.gz ODGGWVZWTXHPOP-PLMTUMEDSA-N 0 3 320.436 4.377 20 30 DIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCO2 ZINC000272318944 535892885 /nfs/dbraw/zinc/89/28/85/535892885.db2.gz VNHWFWSBPVLPHS-IBGZPJMESA-N 0 3 318.420 4.223 20 30 DIEDHN CC(C)(CC#N)CNCc1cc2cc(Br)ccc2o1 ZINC000579735299 1035541905 /nfs/dbraw/zinc/54/19/05/1035541905.db2.gz XDJNRAWQTCGGAM-UHFFFAOYSA-N 0 3 321.218 4.225 20 30 DIEDHN C=CCC[C@H](NC[C@@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816124 1035683708 /nfs/dbraw/zinc/68/37/08/1035683708.db2.gz HWLKUKCXGBBNBJ-JKSUJKDBSA-N 0 3 305.805 4.264 20 30 DIEDHN N#Cc1cccc(CCCN2CCc3ccc(Cl)cc3C2)c1 ZINC001208844200 1035878972 /nfs/dbraw/zinc/87/89/72/1035878972.db2.gz GAYCTQJUVITELR-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN C=CCN(CCC(C)(C)CC(=O)OCC)Cc1ccccc1F ZINC001167137829 1036172001 /nfs/dbraw/zinc/17/20/01/1036172001.db2.gz HZHXRRYNZXKWSI-UHFFFAOYSA-N 0 3 321.436 4.183 20 30 DIEDHN CCCCCCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001266470590 1036349039 /nfs/dbraw/zinc/34/90/39/1036349039.db2.gz TWMXXLWCRHUITF-UHFFFAOYSA-N 0 3 308.510 4.214 20 30 DIEDHN CCCOc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610346103 1036841314 /nfs/dbraw/zinc/84/13/14/1036841314.db2.gz LEXNBAGQRNMTPQ-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN C[C@H](NCc1cccc(-c2ccncc2)c1)c1ccc(C#N)cc1 ZINC000610346158 1036841450 /nfs/dbraw/zinc/84/14/50/1036841450.db2.gz MZJJUONTCNZPEU-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCCCCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000683783324 1036909822 /nfs/dbraw/zinc/90/98/22/1036909822.db2.gz UPIMZSFUKRMGAI-GHMZBOCLSA-N 0 3 303.290 4.405 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc(F)cc2)C2CCCCC2)nc1 ZINC000580750756 1037285146 /nfs/dbraw/zinc/28/51/46/1037285146.db2.gz NYQYZNQXCLOQSI-UHFFFAOYSA-N 0 3 323.415 4.427 20 30 DIEDHN SC1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001140296349 1037291385 /nfs/dbraw/zinc/29/13/85/1037291385.db2.gz HLVZYBRMPZBWIL-UHFFFAOYSA-N 0 3 324.902 4.358 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001211434687 1037319699 /nfs/dbraw/zinc/31/96/99/1037319699.db2.gz AZEZIPSOSUIHMD-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096407 1037512660 /nfs/dbraw/zinc/51/26/60/1037512660.db2.gz DSWXIJYQQRSZEK-UGSOOPFHSA-N 0 3 324.449 4.455 20 30 DIEDHN C[C@@H](CCC#N)CN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602448368 1038011163 /nfs/dbraw/zinc/01/11/63/1038011163.db2.gz GAZXEWCNLKHRBY-MAUKXSAKSA-N 0 3 310.445 4.040 20 30 DIEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(-c2ccccc2)o1 ZINC000602519067 1038024970 /nfs/dbraw/zinc/02/49/70/1038024970.db2.gz VASHLCOJUJZYDX-MRXNPFEDSA-N 0 3 324.424 4.135 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177108 1038039747 /nfs/dbraw/zinc/03/97/47/1038039747.db2.gz KEAXDJWCAUJGCD-KDOFPFPSSA-N 0 3 322.408 4.131 20 30 DIEDHN CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602618409 1038050437 /nfs/dbraw/zinc/05/04/37/1038050437.db2.gz RVQSRYVZICHBCS-UYAOXDASSA-N 0 3 305.425 4.003 20 30 DIEDHN CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602618408 1038050879 /nfs/dbraw/zinc/05/08/79/1038050879.db2.gz RVQSRYVZICHBCS-QUCCMNQESA-N 0 3 305.425 4.003 20 30 DIEDHN C[C@@H](c1ccco1)N(CCCOc1cccc(C#N)c1)C1CC1 ZINC000477648098 1038074036 /nfs/dbraw/zinc/07/40/36/1038074036.db2.gz XKCVSMULLCXVKC-HNNXBMFYSA-N 0 3 310.397 4.146 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000602739749 1038083852 /nfs/dbraw/zinc/08/38/52/1038083852.db2.gz BVJMVMRAFYJULL-OAHLLOKOSA-N 0 3 310.363 4.262 20 30 DIEDHN N#CCC1(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000602790683 1038088685 /nfs/dbraw/zinc/08/86/85/1038088685.db2.gz IJGYVZFDUWJJNF-UHFFFAOYSA-N 0 3 309.388 4.090 20 30 DIEDHN C=C(CNCc1cc(OC)ccc1OC(F)F)c1ccccc1 ZINC000602911226 1038107412 /nfs/dbraw/zinc/10/74/12/1038107412.db2.gz VEATXBPIQHSITJ-UHFFFAOYSA-N 0 3 319.351 4.100 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccc(F)cn2)CC1 ZINC000602903465 1038109607 /nfs/dbraw/zinc/10/96/07/1038109607.db2.gz IEDMDOGJFXNZTM-CQSZACIVSA-N 0 3 309.388 4.033 20 30 DIEDHN C[C@H](c1ccccc1Cl)N(C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590616 1038128197 /nfs/dbraw/zinc/12/81/97/1038128197.db2.gz RTABSRRSMIPEDR-HIFRSBDPSA-N 0 3 320.864 4.166 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 ZINC000061001722 1038158862 /nfs/dbraw/zinc/15/88/62/1038158862.db2.gz BILYSVDEMFXUEI-UHFFFAOYSA-N 0 3 312.388 4.118 20 30 DIEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1C(F)(F)F ZINC000599046970 1038223193 /nfs/dbraw/zinc/22/31/93/1038223193.db2.gz UZKPWRQVUKXZOW-JTQLQIEISA-N 0 3 300.299 4.189 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1C(F)(F)F ZINC000599049302 1038223770 /nfs/dbraw/zinc/22/37/70/1038223770.db2.gz OVIRLWUTLMPWOK-SNVBAGLBSA-N 0 3 302.315 4.435 20 30 DIEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1C(F)(F)F ZINC000599050821 1038229587 /nfs/dbraw/zinc/22/95/87/1038229587.db2.gz DHPQAUGKVQVFCJ-JFGNBEQYSA-N 0 3 300.299 4.187 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758655 1038262024 /nfs/dbraw/zinc/26/20/24/1038262024.db2.gz AQEZDHCXDVOBFH-JLTOFOAXSA-N 0 3 301.393 4.158 20 30 DIEDHN Cc1nc(C)c([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341761523 1038263549 /nfs/dbraw/zinc/26/35/49/1038263549.db2.gz PLVORAKKYGBOHS-PXAZEXFGSA-N 0 3 311.454 4.360 20 30 DIEDHN Cc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000599349269 1038270578 /nfs/dbraw/zinc/27/05/78/1038270578.db2.gz NZTGGKXIXSKMDY-ZDUSSCGKSA-N 0 3 316.351 4.319 20 30 DIEDHN C=CCC[C@H](NCC(=O)N1CCCC[C@@H]1CC)c1ccccc1 ZINC000341937056 1038354933 /nfs/dbraw/zinc/35/49/33/1038354933.db2.gz BIPVRPUTYMHDJB-OALUTQOASA-N 0 3 314.473 4.075 20 30 DIEDHN CCc1nc2c(s1)[C@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829794 1038373406 /nfs/dbraw/zinc/37/34/06/1038373406.db2.gz LKXALVCKBAOKCO-IUODEOHRSA-N 0 3 311.454 4.305 20 30 DIEDHN CN(Cc1ccccc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521410 1038418135 /nfs/dbraw/zinc/41/81/35/1038418135.db2.gz IKRMKJICMVCTDP-SFTDATJTSA-N 0 3 320.436 4.158 20 30 DIEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000610991321 1038419377 /nfs/dbraw/zinc/41/93/77/1038419377.db2.gz FWVVSLOZWBQAIQ-AWEZNQCLSA-N 0 3 312.388 4.289 20 30 DIEDHN Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2ccnc(C#N)c2)cc1 ZINC000610993524 1038424225 /nfs/dbraw/zinc/42/42/25/1038424225.db2.gz WLHNYZVPYIGTAD-JXFKEZNVSA-N 0 3 305.425 4.235 20 30 DIEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1c1ccccc1 ZINC001167499504 1038454159 /nfs/dbraw/zinc/45/41/59/1038454159.db2.gz JVIDBQZBGRDCML-KXBFYZLASA-N 0 3 308.400 4.323 20 30 DIEDHN C=CCC[C@H](NCc1ccnn1C)c1ccc(C(F)(F)F)cc1 ZINC000342199528 1038474852 /nfs/dbraw/zinc/47/48/52/1038474852.db2.gz IGOZEQICAJEMLZ-INIZCTEOSA-N 0 3 323.362 4.236 20 30 DIEDHN CC(C)(CCC#N)CNCc1c(F)cccc1Br ZINC000342294519 1038519316 /nfs/dbraw/zinc/51/93/16/1038519316.db2.gz HORQNIFRRXVMHB-UHFFFAOYSA-N 0 3 313.214 4.008 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1ccc(C#N)cc1C)C(C)(C)C ZINC000934287601 1038577877 /nfs/dbraw/zinc/57/78/77/1038577877.db2.gz FITJSDFCSPQPTF-LJQANCHMSA-N 0 3 307.441 4.447 20 30 DIEDHN Cc1cnc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000277538650 1038630639 /nfs/dbraw/zinc/63/06/39/1038630639.db2.gz RYDZBKADGWJEJQ-CQSZACIVSA-N 0 3 311.454 4.264 20 30 DIEDHN C=CCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000606896287 1038636392 /nfs/dbraw/zinc/63/63/92/1038636392.db2.gz CTIFHDOCIDEIKG-OAQYLSRUSA-N 0 3 323.436 4.227 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000479578116 1038720821 /nfs/dbraw/zinc/72/08/21/1038720821.db2.gz KFGJNNTYSYZUQA-UHFFFAOYSA-N 0 3 323.396 4.125 20 30 DIEDHN CCCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000075755694 1038758481 /nfs/dbraw/zinc/75/84/81/1038758481.db2.gz INNFWRZPAFSRFG-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN CCCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000075755696 1038758710 /nfs/dbraw/zinc/75/87/10/1038758710.db2.gz INNFWRZPAFSRFG-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1F ZINC000063751084 1038839892 /nfs/dbraw/zinc/83/98/92/1038839892.db2.gz VTRINHIVQSCUHD-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN COc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000174348096 1038932814 /nfs/dbraw/zinc/93/28/14/1038932814.db2.gz WZNPLDUHPGMTAS-FQEVSTJZSA-N 0 3 324.399 4.337 20 30 DIEDHN C[C@@H](CN(C)Cc1cn2ccccc2c1C#N)c1ccccc1 ZINC000608976702 1038948294 /nfs/dbraw/zinc/94/82/94/1038948294.db2.gz IPUBHSFURWHFBF-INIZCTEOSA-N 0 3 303.409 4.046 20 30 DIEDHN C=CCN1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278054821 1039114367 /nfs/dbraw/zinc/11/43/67/1039114367.db2.gz DSIGVCHVFJENCE-AWEZNQCLSA-N 0 3 314.454 4.184 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251749 1039323043 /nfs/dbraw/zinc/32/30/43/1039323043.db2.gz MQBJMKSHDKCPTO-ORAYPTAESA-N 0 3 321.380 4.195 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278354998 1039411541 /nfs/dbraw/zinc/41/15/41/1039411541.db2.gz ZRXQVPSAIMQION-VLIAUNLRSA-N 0 3 321.424 4.319 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000052660330 1039500139 /nfs/dbraw/zinc/50/01/39/1039500139.db2.gz SDXVKRCFNLRQPS-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN Cc1ccc(CSCCNCc2ccc(C#N)cc2F)cc1 ZINC000540502594 1039510279 /nfs/dbraw/zinc/51/02/79/1039510279.db2.gz OGGYCIJHJDVKRY-UHFFFAOYSA-N 0 3 314.429 4.029 20 30 DIEDHN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540702133 1039545716 /nfs/dbraw/zinc/54/57/16/1039545716.db2.gz RIKDHWACBCCLNR-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cccc(C#N)c2)c1 ZINC000541316847 1039662871 /nfs/dbraw/zinc/66/28/71/1039662871.db2.gz JUDLJOKVBWFHNS-YWZLYKJASA-N 0 3 306.409 4.150 20 30 DIEDHN CCc1cnccc1[C@@H](C)NCc1ccccc1C(C)(C)C#N ZINC000542124327 1039794300 /nfs/dbraw/zinc/79/43/00/1039794300.db2.gz XZJDMQXTZHABJD-OAHLLOKOSA-N 0 3 307.441 4.296 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(COCC)cc2)cc1 ZINC000151623331 1039844277 /nfs/dbraw/zinc/84/42/77/1039844277.db2.gz PMSDKAQJYBNKHT-KRWDZBQOSA-N 0 3 323.436 4.086 20 30 DIEDHN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271899940 1039871253 /nfs/dbraw/zinc/87/12/53/1039871253.db2.gz ABBZVDAPFONARI-AWEZNQCLSA-N 0 3 312.388 4.335 20 30 DIEDHN C[C@H](NC[C@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531850 1039915516 /nfs/dbraw/zinc/91/55/16/1039915516.db2.gz VHTZMJPKAKVNLM-ROUUACIJSA-N 0 3 317.436 4.240 20 30 DIEDHN Cc1cc(CNCc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000443967708 1039986976 /nfs/dbraw/zinc/98/69/76/1039986976.db2.gz PGUGLGDTBRUBEA-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN Cc1cc(CNCc2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000443982280 1039992631 /nfs/dbraw/zinc/99/26/31/1039992631.db2.gz BHRXYIGSBXNSRV-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(c2cccnc2)CC1 ZINC000685455822 1040059391 /nfs/dbraw/zinc/05/93/91/1040059391.db2.gz AAXYFKZNVQWLDU-UHFFFAOYSA-N 0 3 308.425 4.026 20 30 DIEDHN CCN(CC)[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccco1 ZINC000255631214 1040270809 /nfs/dbraw/zinc/27/08/09/1040270809.db2.gz OAGJCFSMDHRGSF-MXDDHBLUSA-N 0 3 320.820 4.141 20 30 DIEDHN C=CCOCCCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000658205025 1040355569 /nfs/dbraw/zinc/35/55/69/1040355569.db2.gz DKEAQSCTFPIKCN-AWEZNQCLSA-N 0 3 302.443 4.053 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](CSc3ccccc3)C2)s1 ZINC000180015615 1040694393 /nfs/dbraw/zinc/69/43/93/1040694393.db2.gz OMWHPXWJEIGJJO-AWEZNQCLSA-N 0 3 314.479 4.234 20 30 DIEDHN CCS[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C(C)C ZINC000177745802 1040765239 /nfs/dbraw/zinc/76/52/39/1040765239.db2.gz SGKAVMLWNHZQPJ-BXUZGUMPSA-N 0 3 310.488 4.220 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613255233 1040843772 /nfs/dbraw/zinc/84/37/72/1040843772.db2.gz KNMPNKASWUNUQA-OZOXKJRCSA-N 0 3 320.436 4.457 20 30 DIEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc2ccccc2s1 ZINC000613289574 1040859793 /nfs/dbraw/zinc/85/97/93/1040859793.db2.gz QACKHTOQIAHJFM-SNVBAGLBSA-N 0 3 323.402 4.329 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1OC(F)F ZINC000414160079 1040934161 /nfs/dbraw/zinc/93/41/61/1040934161.db2.gz CGBCLIAJHZGYFA-JTQLQIEISA-N 0 3 300.324 4.018 20 30 DIEDHN COc1ccc2oc([C@H](C)NCC(C)(C)CC#N)c(C)c2c1 ZINC000414160716 1040942709 /nfs/dbraw/zinc/94/27/09/1040942709.db2.gz DKDKMXKSZIQXAT-ZDUSSCGKSA-N 0 3 300.402 4.340 20 30 DIEDHN C=CC[C@H](N[C@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696261 1041007309 /nfs/dbraw/zinc/00/73/09/1041007309.db2.gz OCJYKZCFFSFMPS-IRXDYDNUSA-N 0 3 312.388 4.124 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696263 1041008928 /nfs/dbraw/zinc/00/89/28/1041008928.db2.gz OCJYKZCFFSFMPS-SJORKVTESA-N 0 3 312.388 4.124 20 30 DIEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143467993 1041042913 /nfs/dbraw/zinc/04/29/13/1041042913.db2.gz AERHIHAZXUREQA-CYBMUJFWSA-N 0 3 312.335 4.019 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000809556569 1041193035 /nfs/dbraw/zinc/19/30/35/1041193035.db2.gz IQSIPEDBHLSLQL-UHFFFAOYSA-N 0 3 311.450 4.030 20 30 DIEDHN C#Cc1ccc(CN(C)[C@@H]2CCCc3nc(CC)sc32)cc1 ZINC000809586020 1041197255 /nfs/dbraw/zinc/19/72/55/1041197255.db2.gz GKYBXELJQUKQBH-QGZVFWFLSA-N 0 3 310.466 4.196 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000809602252 1041201172 /nfs/dbraw/zinc/20/11/72/1041201172.db2.gz LFOUPPPCDJLTGX-ZDUSSCGKSA-N 0 3 314.226 4.281 20 30 DIEDHN CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794855 1041266790 /nfs/dbraw/zinc/26/67/90/1041266790.db2.gz NNBWDVKJNVAKOI-DZGCQCFKSA-N 0 3 304.434 4.073 20 30 DIEDHN CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1OC ZINC000728712047 1041478706 /nfs/dbraw/zinc/47/87/06/1041478706.db2.gz WQHSPGWUNXCKEG-BEFAXECRSA-N 0 3 324.424 4.227 20 30 DIEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)cc1C#N ZINC001170639551 1041546469 /nfs/dbraw/zinc/54/64/69/1041546469.db2.gz QGKNKXSICKJGJY-SXGZJXTBSA-N 0 3 308.400 4.464 20 30 DIEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000728766976 1041632712 /nfs/dbraw/zinc/63/27/12/1041632712.db2.gz RAJBLRQMHBYUQO-YPMHNXCESA-N 0 3 316.451 4.046 20 30 DIEDHN N#CC(C(=O)CCCC1CC1)C(=O)Nc1cccc2ccccc21 ZINC000813059656 1041669781 /nfs/dbraw/zinc/66/97/81/1041669781.db2.gz DWHYPHYJJZSEPG-QGZVFWFLSA-N 0 3 320.392 4.067 20 30 DIEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813217427 1041681467 /nfs/dbraw/zinc/68/14/67/1041681467.db2.gz GBOKNSQMLJJSKF-AWEZNQCLSA-N 0 3 320.314 4.023 20 30 DIEDHN N#CC(C(=O)C1=CCCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813216909 1041681934 /nfs/dbraw/zinc/68/19/34/1041681934.db2.gz HSLJWLUISMRLNH-ZDUSSCGKSA-N 0 3 308.303 4.167 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2cccs2)no1 ZINC000661119528 1041890079 /nfs/dbraw/zinc/89/00/79/1041890079.db2.gz UYKCNYZIHJRYCV-QWHCGFSZSA-N 0 3 303.431 4.023 20 30 DIEDHN CC(C)(C)c1csc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000815031976 1041906864 /nfs/dbraw/zinc/90/68/64/1041906864.db2.gz MFSMQYICNSMDPZ-ZFWWWQNUSA-N 0 3 317.502 4.312 20 30 DIEDHN N#CCOc1ccc(CNCc2ccc(C3CCC3)cc2)cc1 ZINC000815123343 1041915898 /nfs/dbraw/zinc/91/58/98/1041915898.db2.gz CJXLTAXGEQYHFK-UHFFFAOYSA-N 0 3 306.409 4.146 20 30 DIEDHN C=CC[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378534 1041929962 /nfs/dbraw/zinc/92/99/62/1041929962.db2.gz IGMXRVDSMVNOQU-HZPDHXFCSA-N 0 3 311.429 4.394 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000236738411 1041967715 /nfs/dbraw/zinc/96/77/15/1041967715.db2.gz NCPXFAMNYAKGPH-QGZVFWFLSA-N 0 3 323.436 4.337 20 30 DIEDHN C#CC[C@H](N[C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599558 1041970901 /nfs/dbraw/zinc/97/09/01/1041970901.db2.gz VZYZRRMGLBEEKX-PMACEKPBSA-N 0 3 321.420 4.279 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000236775567 1042056257 /nfs/dbraw/zinc/05/62/57/1042056257.db2.gz HZEUHFPVVNMCHG-KRWDZBQOSA-N 0 3 323.436 4.337 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2[nH]ccc21 ZINC000093872514 1042078566 /nfs/dbraw/zinc/07/85/66/1042078566.db2.gz UVEZMEZDKRKIEY-FPOVZHCZSA-N 0 3 315.420 4.440 20 30 DIEDHN CCCSCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000125747948 1042097147 /nfs/dbraw/zinc/09/71/47/1042097147.db2.gz JNYGKOYAVSJEQC-JTQLQIEISA-N 0 3 324.858 4.269 20 30 DIEDHN CC(C)Oc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236718665 1042371805 /nfs/dbraw/zinc/37/18/05/1042371805.db2.gz DERQPSPCPWQRQM-INIZCTEOSA-N 0 3 324.424 4.054 20 30 DIEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178511 1042422224 /nfs/dbraw/zinc/42/22/24/1042422224.db2.gz IULKSNLXEBDMFX-LJQANCHMSA-N 0 3 307.441 4.466 20 30 DIEDHN COc1cccc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614180163 1042422366 /nfs/dbraw/zinc/42/23/66/1042422366.db2.gz ZKTGKIOHSRYQJH-OAHLLOKOSA-N 0 3 308.425 4.347 20 30 DIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000614179714 1042423114 /nfs/dbraw/zinc/42/31/14/1042423114.db2.gz ZRUFGUHSGPMQKF-AWEZNQCLSA-N 0 3 323.396 4.247 20 30 DIEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000419838465 1042593591 /nfs/dbraw/zinc/59/35/91/1042593591.db2.gz ORZDSTSMCOICJE-SNVBAGLBSA-N 0 3 319.455 4.056 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000424330812 1042734131 /nfs/dbraw/zinc/73/41/31/1042734131.db2.gz REUWRNNBOGUGEX-QKYXUNIQSA-N 0 3 306.409 4.066 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC000424335573 1042734190 /nfs/dbraw/zinc/73/41/90/1042734190.db2.gz XAMKXBWBACDGMP-JBLDHEPKSA-N 0 3 314.763 4.284 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1=Cc2ccccc2OC1 ZINC000425365849 1042797991 /nfs/dbraw/zinc/79/79/91/1042797991.db2.gz NJZAYUUMKLPVCT-OAHLLOKOSA-N 0 3 304.393 4.027 20 30 DIEDHN CCN(Cc1c(C)cc(OC)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000515534731 1042825745 /nfs/dbraw/zinc/82/57/45/1042825745.db2.gz JELARMWRGCYGHD-MRXNPFEDSA-N 0 3 323.440 4.162 20 30 DIEDHN CC(C)(C#N)CCN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425499205 1042832574 /nfs/dbraw/zinc/83/25/74/1042832574.db2.gz AKIDQAGIIJINET-UHFFFAOYSA-N 0 3 317.502 4.141 20 30 DIEDHN N#CCCCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000517547798 1042886427 /nfs/dbraw/zinc/88/64/27/1042886427.db2.gz QOWHVUQMZIOSOP-UHFFFAOYSA-N 0 3 305.834 4.247 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1cc(-c2ccncc2)ccc1OC ZINC000426553699 1042937401 /nfs/dbraw/zinc/93/74/01/1042937401.db2.gz DXWDFCPMOKWGDM-IBGZPJMESA-N 0 3 308.425 4.298 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(-c2ccncc2)c1 ZINC000151398843 1043021608 /nfs/dbraw/zinc/02/16/08/1043021608.db2.gz ZVFHNLVZWARCOI-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCOc2ccccc2C#N)C1 ZINC000441320840 1043035680 /nfs/dbraw/zinc/03/56/80/1043035680.db2.gz DATMMZVDALCQTI-BEFAXECRSA-N 0 3 324.399 4.159 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(O)cc(Cl)c1 ZINC000894963739 1043052305 /nfs/dbraw/zinc/05/23/05/1043052305.db2.gz APXQTKRBVSJWLS-GOSISDBHSA-N 0 3 312.800 4.084 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](c2ncccc2C)C(C)C)cc1 ZINC000120517781 1043084809 /nfs/dbraw/zinc/08/48/09/1043084809.db2.gz DGSMSHFZTWMAFD-XLIONFOSSA-N 0 3 322.452 4.450 20 30 DIEDHN CC(C)(C)Oc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000865613203 1043118653 /nfs/dbraw/zinc/11/86/53/1043118653.db2.gz PGGFBGQSUZJAEF-UHFFFAOYSA-N 0 3 308.425 4.220 20 30 DIEDHN C=C(Br)CN[C@H](C)CCc1cncc2ccccc21 ZINC000866261179 1043168078 /nfs/dbraw/zinc/16/80/78/1043168078.db2.gz QNPHVBHCTMYPGU-CYBMUJFWSA-N 0 3 319.246 4.054 20 30 DIEDHN CCCC[C@@H]1CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698555 1043187785 /nfs/dbraw/zinc/18/77/85/1043187785.db2.gz RXMYFLXPHRRMPT-WBVHZDCISA-N 0 3 324.428 4.057 20 30 DIEDHN C[C@@H](NCCSCCC(F)(F)F)c1ccc(C#N)cc1F ZINC000866542942 1043220830 /nfs/dbraw/zinc/22/08/30/1043220830.db2.gz JEKUHACEJGQVGP-SNVBAGLBSA-N 0 3 320.355 4.034 20 30 DIEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000186437711 1043224309 /nfs/dbraw/zinc/22/43/09/1043224309.db2.gz UKWOLZFDCOEFAZ-AWEZNQCLSA-N 0 3 310.344 4.055 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619471 1043238482 /nfs/dbraw/zinc/23/84/82/1043238482.db2.gz GKHWOKZQXFBVEU-SJKOYZFVSA-N 0 3 303.365 4.038 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000268789267 1043330583 /nfs/dbraw/zinc/33/05/83/1043330583.db2.gz FIGGPRZWUODVAJ-ZIAGYGMSSA-N 0 3 309.369 4.187 20 30 DIEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770628 1043420660 /nfs/dbraw/zinc/42/06/60/1043420660.db2.gz RTRYNLLFBBTIGX-SJLPKXTDSA-N 0 3 300.446 4.202 20 30 DIEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1cccc(OC)c1 ZINC000442796682 1043425612 /nfs/dbraw/zinc/42/56/12/1043425612.db2.gz GKPKGQHCWDEYMN-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN CCCCCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442799799 1043427024 /nfs/dbraw/zinc/42/70/24/1043427024.db2.gz ZYOVXCKZKRKUMN-AEFFLSMTSA-N 0 3 300.446 4.346 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573602 1043439280 /nfs/dbraw/zinc/43/92/80/1043439280.db2.gz WAHVBVAASFOMSV-JKSUJKDBSA-N 0 3 310.466 4.437 20 30 DIEDHN N#CC1CCC(CN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000442851341 1043444222 /nfs/dbraw/zinc/44/42/22/1043444222.db2.gz FWFSQTDNZJALQB-PMTKGXAQSA-N 0 3 323.415 4.230 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000442889689 1043450977 /nfs/dbraw/zinc/45/09/77/1043450977.db2.gz FVFWWEKTVWSBHW-KKSFZXQISA-N 0 3 318.420 4.141 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000442891508 1043451441 /nfs/dbraw/zinc/45/14/41/1043451441.db2.gz NJKXIBVWMYWGLC-XJKSGUPXSA-N 0 3 312.363 4.387 20 30 DIEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694756 1043454724 /nfs/dbraw/zinc/45/47/24/1043454724.db2.gz FLHMFPLDUKKCRH-UWJYYQICSA-N 0 3 324.468 4.069 20 30 DIEDHN C#C[C@H]1CC[C@H](N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000872139136 1043476888 /nfs/dbraw/zinc/47/68/88/1043476888.db2.gz GRVGBZGKBVRIBG-XFQXTVEOSA-N 0 3 308.400 4.092 20 30 DIEDHN C#C[C@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000872139135 1043478001 /nfs/dbraw/zinc/47/80/01/1043478001.db2.gz GRVGBZGKBVRIBG-QSFXBCCZSA-N 0 3 308.400 4.092 20 30 DIEDHN C#C[C@H]1CC[C@H](N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000872138960 1043478175 /nfs/dbraw/zinc/47/81/75/1043478175.db2.gz CDBZMCJHDYFHJP-XFQXTVEOSA-N 0 3 308.400 4.092 20 30 DIEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000124087031 1043499623 /nfs/dbraw/zinc/49/96/23/1043499623.db2.gz UPQZOCKCADXFQO-UHFFFAOYSA-N 0 3 312.438 4.270 20 30 DIEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000124087031 1043499629 /nfs/dbraw/zinc/49/96/29/1043499629.db2.gz UPQZOCKCADXFQO-UHFFFAOYSA-N 0 3 312.438 4.270 20 30 DIEDHN Cc1ccsc1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000349578091 1043514249 /nfs/dbraw/zinc/51/42/49/1043514249.db2.gz OSLJNCYDGHGGMW-UHFFFAOYSA-N 0 3 314.454 4.371 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000777587542 1043534778 /nfs/dbraw/zinc/53/47/78/1043534778.db2.gz UOVKAHOTSSAZLK-IERDGZPVSA-N 0 3 320.436 4.065 20 30 DIEDHN Cc1cc(F)cc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)c1 ZINC001143589801 1043558114 /nfs/dbraw/zinc/55/81/14/1043558114.db2.gz FYSNGANBIFFJEE-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344476 1043567574 /nfs/dbraw/zinc/56/75/74/1043567574.db2.gz WTHOIHZITAUBOH-GIVPXCGWSA-N 0 3 322.452 4.050 20 30 DIEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1 ZINC000124945526 1043577285 /nfs/dbraw/zinc/57/72/85/1043577285.db2.gz ZBRKXXVMEWECFT-QGZVFWFLSA-N 0 3 314.816 4.461 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCOc3ccccc31)CC2 ZINC000353388986 1043605176 /nfs/dbraw/zinc/60/51/76/1043605176.db2.gz QUXHDUISPILJIL-RBUKOAKNSA-N 0 3 304.393 4.049 20 30 DIEDHN C=CCC[C@H](NCc1cccc(Cn2ccnc2)c1)c1ccco1 ZINC000353434996 1043607085 /nfs/dbraw/zinc/60/70/85/1043607085.db2.gz KYFUXICPYRNWCA-IBGZPJMESA-N 0 3 321.424 4.322 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583271 1043621333 /nfs/dbraw/zinc/62/13/33/1043621333.db2.gz XMDVORXWRIMXKV-VQTJNVASSA-N 0 3 306.384 4.352 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000353896291 1043655061 /nfs/dbraw/zinc/65/50/61/1043655061.db2.gz YDUGYQHPLWTOHX-OAHLLOKOSA-N 0 3 310.422 4.245 20 30 DIEDHN Cc1cccn2c(CN[C@H](CCCC#N)c3ccccc3)cnc12 ZINC000353916279 1043656981 /nfs/dbraw/zinc/65/69/81/1043656981.db2.gz PVDHEESKTGEBAC-LJQANCHMSA-N 0 3 318.424 4.168 20 30 DIEDHN Cc1nn(C(C)C)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353915289 1043657004 /nfs/dbraw/zinc/65/70/04/1043657004.db2.gz NDFXCGSPOJEDJK-IBGZPJMESA-N 0 3 310.445 4.297 20 30 DIEDHN COc1ccc(OC)c(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000353915781 1043657334 /nfs/dbraw/zinc/65/73/34/1043657334.db2.gz NICDFYPTVXYSPH-LJQANCHMSA-N 0 3 324.424 4.229 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C)CCCCC1 ZINC000125905289 1043677405 /nfs/dbraw/zinc/67/74/05/1043677405.db2.gz TXCXHKYEVYOCTI-AWEZNQCLSA-N 0 3 309.413 4.110 20 30 DIEDHN CC[C@@H](NCc1ccc(OC)c(OC)c1C)c1cccc(C#N)c1 ZINC000927123235 1043693422 /nfs/dbraw/zinc/69/34/22/1043693422.db2.gz OFDNCXJBFITMJK-GOSISDBHSA-N 0 3 324.424 4.125 20 30 DIEDHN C=CCCC[C@@H](NCc1cnn(C)c1C1CC1)c1ccccc1 ZINC000896020038 1043805912 /nfs/dbraw/zinc/80/59/12/1043805912.db2.gz ZMYPSZZRSFULIU-LJQANCHMSA-N 0 3 309.457 4.485 20 30 DIEDHN C=CC[C@@H](C)N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000877919997 1043823690 /nfs/dbraw/zinc/82/36/90/1043823690.db2.gz AKENBNRVLGFFRK-LLVKDONJSA-N 0 3 315.244 4.218 20 30 DIEDHN N#CC1CCC(CN2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000929872527 1043848727 /nfs/dbraw/zinc/84/87/27/1043848727.db2.gz HISIKICUNRYJQM-WIXQSORDSA-N 0 3 319.452 4.223 20 30 DIEDHN Cc1cccnc1[C@H](NCc1c(C)cc(C#N)cc1C)C(C)C ZINC000929982286 1043861662 /nfs/dbraw/zinc/86/16/62/1043861662.db2.gz SGYQUSRZZWTOSN-LJQANCHMSA-N 0 3 307.441 4.365 20 30 DIEDHN CC(C)CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccn1 ZINC000896661737 1043975348 /nfs/dbraw/zinc/97/53/48/1043975348.db2.gz VUYOUFDTCVFNRF-UHFFFAOYSA-N 0 3 319.452 4.295 20 30 DIEDHN C[C@H]1CC[C@H](N(C)Cc2cc(Br)ccc2C#N)CC1 ZINC001141907598 1043987934 /nfs/dbraw/zinc/98/79/34/1043987934.db2.gz HDXWXAGDBZJCEC-YGUOUDRMSA-N 0 3 321.262 4.331 20 30 DIEDHN COc1ccc(CN(Cc2cccs2)C(C)C)cc1C#N ZINC000087833262 1044048734 /nfs/dbraw/zinc/04/87/34/1044048734.db2.gz VXWJXCZOKKAJCT-UHFFFAOYSA-N 0 3 300.427 4.039 20 30 DIEDHN C=CCC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000358409548 1044067281 /nfs/dbraw/zinc/06/72/81/1044067281.db2.gz WRMBSIUFLAFCTC-IBGZPJMESA-N 0 3 314.473 4.075 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213808 1044110644 /nfs/dbraw/zinc/11/06/44/1044110644.db2.gz AUIKEGDNFGDLDR-LJQANCHMSA-N 0 3 318.420 4.403 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000932377314 1044121454 /nfs/dbraw/zinc/12/14/54/1044121454.db2.gz NPDNAMPPOKTMGV-LJQANCHMSA-N 0 3 305.425 4.124 20 30 DIEDHN C=C(CN[C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000346781192 1044141782 /nfs/dbraw/zinc/14/17/82/1044141782.db2.gz PVSJYWBDFRAYMQ-HNNXBMFYSA-N 0 3 324.424 4.018 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997337 1044148521 /nfs/dbraw/zinc/14/85/21/1044148521.db2.gz WVIXADFLJGAPPN-UHFFFAOYSA-N 0 3 308.425 4.254 20 30 DIEDHN C=CCc1cc(CN[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000129458653 1044152711 /nfs/dbraw/zinc/15/27/11/1044152711.db2.gz ZWIXMBGEHSGMOY-HNNXBMFYSA-N 0 3 311.425 4.283 20 30 DIEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CCC1 ZINC000933304844 1044191990 /nfs/dbraw/zinc/19/19/90/1044191990.db2.gz UCIFBHDYHOFRGE-JKSUJKDBSA-N 0 3 312.457 4.063 20 30 DIEDHN CC(C)c1ccc([C@@H](C)N2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647825 1044204092 /nfs/dbraw/zinc/20/40/92/1044204092.db2.gz IGGJNCNLGACMBR-MRXNPFEDSA-N 0 3 313.441 4.209 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)NC1(c2ncccn2)CCC1 ZINC000883311408 1044266176 /nfs/dbraw/zinc/26/61/76/1044266176.db2.gz YUXOEVCCZLRRGB-SFHVURJKSA-N 0 3 307.441 4.023 20 30 DIEDHN C=CCCC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326861 1044273071 /nfs/dbraw/zinc/27/30/71/1044273071.db2.gz LXPDPCLVEQNAEE-RTBURBONSA-N 0 3 309.457 4.485 20 30 DIEDHN C=CCCC[C@@H](NCc1cnc(Cl)n1C)c1ccccc1 ZINC000883324852 1044274642 /nfs/dbraw/zinc/27/46/42/1044274642.db2.gz GUDKHJKADOVOFE-MRXNPFEDSA-N 0 3 303.837 4.261 20 30 DIEDHN N#Cc1ccccc1OCCN1CCCCC[C@@H]1c1ccco1 ZINC000523008138 1044306545 /nfs/dbraw/zinc/30/65/45/1044306545.db2.gz HYXHAAKXLUMTBF-QGZVFWFLSA-N 0 3 310.397 4.147 20 30 DIEDHN C=CCOc1cccc(CNCc2c(C)c3ccccc3n2C)c1 ZINC000475197345 1044320296 /nfs/dbraw/zinc/32/02/96/1044320296.db2.gz UAJLEGGNYSSFMO-UHFFFAOYSA-N 0 3 320.436 4.341 20 30 DIEDHN COC[C@H](NCC(C)(C)CCC#N)c1cccc(Cl)c1F ZINC000348243080 1044343589 /nfs/dbraw/zinc/34/35/89/1044343589.db2.gz KQYPDXXIGYQEJL-AWEZNQCLSA-N 0 3 312.816 4.086 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC000475286668 1044347871 /nfs/dbraw/zinc/34/78/71/1044347871.db2.gz RUMGAVUZDHNGHD-UHFFFAOYSA-N 0 3 305.425 4.152 20 30 DIEDHN C=C(C)[C@H](NC[C@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317515 1044358520 /nfs/dbraw/zinc/35/85/20/1044358520.db2.gz ZZYFNYFFLJKTMB-QAPCUYQASA-N 0 3 309.400 4.113 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000133529073 1044411816 /nfs/dbraw/zinc/41/18/16/1044411816.db2.gz KIGCSFDRNBSIIP-OXQOHEQNSA-N 0 3 321.420 4.263 20 30 DIEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1nccc2ccccc21 ZINC000361538694 1044417615 /nfs/dbraw/zinc/41/76/15/1044417615.db2.gz DENZMLMHYPXGIC-KRWDZBQOSA-N 0 3 323.355 4.273 20 30 DIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)cc1 ZINC000303203807 1044473333 /nfs/dbraw/zinc/47/33/33/1044473333.db2.gz MMFRTEVWQSKDTB-INIZCTEOSA-N 0 3 314.429 4.113 20 30 DIEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000041548245 1044502014 /nfs/dbraw/zinc/50/20/14/1044502014.db2.gz SDTLSVPVLUTDKK-ZFWWWQNUSA-N 0 3 304.349 4.198 20 30 DIEDHN C=CC[N@@H+](CCc1ccco1)Cc1c([O-])ccc2ccccc21 ZINC000778587653 1044563321 /nfs/dbraw/zinc/56/33/21/1044563321.db2.gz AWNFBYDIGWGYRL-UHFFFAOYSA-N 0 3 307.393 4.369 20 30 DIEDHN C=CC[N@H+](CCc1ccco1)Cc1c([O-])ccc2ccccc21 ZINC000778587653 1044563328 /nfs/dbraw/zinc/56/33/28/1044563328.db2.gz AWNFBYDIGWGYRL-UHFFFAOYSA-N 0 3 307.393 4.369 20 30 DIEDHN Cc1cccnc1[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458982 1044567723 /nfs/dbraw/zinc/56/77/23/1044567723.db2.gz DLXSLGXDZYNYAD-RTBURBONSA-N 0 3 305.425 4.236 20 30 DIEDHN CC(C)CC[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362963957 1044572153 /nfs/dbraw/zinc/57/21/53/1044572153.db2.gz QXDGPTLWSNABJR-QGZVFWFLSA-N 0 3 324.428 4.009 20 30 DIEDHN CCCCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000567612364 1044576205 /nfs/dbraw/zinc/57/62/05/1044576205.db2.gz LHRBBTTUCKNHBB-UHFFFAOYSA-N 0 3 308.425 4.221 20 30 DIEDHN C#CC[C@@H]1CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000886360570 1044634172 /nfs/dbraw/zinc/63/41/72/1044634172.db2.gz YBXOTFNJVRSIQI-CQSZACIVSA-N 0 3 314.816 4.149 20 30 DIEDHN Cc1cc(CNCc2ccccc2COC(C)C)ccc1C#N ZINC000568588429 1044639025 /nfs/dbraw/zinc/63/90/25/1044639025.db2.gz JTBFENKACFUNSL-UHFFFAOYSA-N 0 3 308.425 4.082 20 30 DIEDHN CSc1cc(C)ccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000568804405 1044652941 /nfs/dbraw/zinc/65/29/41/1044652941.db2.gz WDXMGSVRYYKMPA-SFHVURJKSA-N 0 3 308.450 4.366 20 30 DIEDHN CC(C)(C#N)CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000364831613 1044679315 /nfs/dbraw/zinc/67/93/15/1044679315.db2.gz UWAGGVNKYFAJAA-IBGZPJMESA-N 0 3 307.441 4.481 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000155230242 1044684803 /nfs/dbraw/zinc/68/48/03/1044684803.db2.gz QUFKKAWXVBOQKG-HNNXBMFYSA-N 0 3 324.399 4.281 20 30 DIEDHN C=CC[C@@H](C)N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935840 1044703347 /nfs/dbraw/zinc/70/33/47/1044703347.db2.gz KNAUPPQJEJAYNR-KDOFPFPSSA-N 0 3 312.388 4.060 20 30 DIEDHN CCN(Cc1ccc2c(n1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000569806778 1044713834 /nfs/dbraw/zinc/71/38/34/1044713834.db2.gz ABWTUHSVECEXOC-OAHLLOKOSA-N 0 3 305.425 4.025 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000037507752 1044713767 /nfs/dbraw/zinc/71/37/67/1044713767.db2.gz BZEGEIBIYDUVAR-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158815 1044768547 /nfs/dbraw/zinc/76/85/47/1044768547.db2.gz JAONHXNYFXHSTH-KDOFPFPSSA-N 0 3 308.429 4.064 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)NCC#Cc1ccc(Cl)cc1 ZINC000445882595 1044841894 /nfs/dbraw/zinc/84/18/94/1044841894.db2.gz BRMPWBUQHNKYHN-CQSZACIVSA-N 0 3 303.755 4.258 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)NCC#Cc1ccccc1Cl ZINC000445895448 1044848866 /nfs/dbraw/zinc/84/88/66/1044848866.db2.gz GLZPPXMIOUENBJ-CQSZACIVSA-N 0 3 303.755 4.258 20 30 DIEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000264558889 1044893063 /nfs/dbraw/zinc/89/30/63/1044893063.db2.gz NQXAMGVDMMYZBD-LJQANCHMSA-N 0 3 310.372 4.065 20 30 DIEDHN N#CC1(CCN2CC=C(c3ccc(O)cc3)CC2)CCCCC1 ZINC000411138605 1044978317 /nfs/dbraw/zinc/97/83/17/1044978317.db2.gz UNBIKPPPJQGKGU-UHFFFAOYSA-N 0 3 310.441 4.345 20 30 DIEDHN CC(C)CC[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135316302 1044978838 /nfs/dbraw/zinc/97/88/38/1044978838.db2.gz ZFMORTSNPOUIDL-QGZVFWFLSA-N 0 3 324.428 4.009 20 30 DIEDHN COc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1SC ZINC000151388041 1045023341 /nfs/dbraw/zinc/02/33/41/1045023341.db2.gz BZJVVWXDTMIGLA-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(N2CCCCC2)cc1 ZINC000151392566 1045023451 /nfs/dbraw/zinc/02/34/51/1045023451.db2.gz HXAVBZQSOCIXQR-KRWDZBQOSA-N 0 3 319.452 4.399 20 30 DIEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000151392034 1045023524 /nfs/dbraw/zinc/02/35/24/1045023524.db2.gz HOBDVHOGKJQCMH-QGZVFWFLSA-N 0 3 316.351 4.401 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000153410010 1045054607 /nfs/dbraw/zinc/05/46/07/1045054607.db2.gz ZSAKDTZHCCXOLI-CQSZACIVSA-N 0 3 324.399 4.337 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693885 1045074488 /nfs/dbraw/zinc/07/44/88/1045074488.db2.gz LSIPAKIZTCCJRX-PBHICJAKSA-N 0 3 310.372 4.400 20 30 DIEDHN CCCCCN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000441190613 1045095397 /nfs/dbraw/zinc/09/53/97/1045095397.db2.gz ABDDMQBNWKAQKE-UHFFFAOYSA-N 0 3 312.417 4.009 20 30 DIEDHN COc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)ccc1C ZINC000447726241 1045168191 /nfs/dbraw/zinc/16/81/91/1045168191.db2.gz DZSIQEKLXAASTD-UHFFFAOYSA-N 0 3 318.420 4.165 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(Oc2ccccc2)nc1 ZINC000924880281 1045207078 /nfs/dbraw/zinc/20/70/78/1045207078.db2.gz ACVYOBLSRZNIFP-HNNXBMFYSA-N 0 3 309.413 4.292 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292432 1045212561 /nfs/dbraw/zinc/21/25/61/1045212561.db2.gz WZFPPGXFOKVGOS-SBHAEUEKSA-N 0 3 319.452 4.427 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073087 1045223046 /nfs/dbraw/zinc/22/30/46/1045223046.db2.gz AAEXLBYCCQDMRI-BEFAXECRSA-N 0 3 310.441 4.277 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000925185590 1045233421 /nfs/dbraw/zinc/23/34/21/1045233421.db2.gz NEXCGQWEWTVUSV-CABCVRRESA-N 0 3 308.425 4.197 20 30 DIEDHN C=CCOc1ccc(CN2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000448369939 1045239467 /nfs/dbraw/zinc/23/94/67/1045239467.db2.gz DBQBPPNUOWJEQB-HOCLYGCPSA-N 0 3 323.864 4.030 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000578673674 1045263581 /nfs/dbraw/zinc/26/35/81/1045263581.db2.gz HOZYRXRNQUCBOD-JNAXZKDPSA-N 0 3 324.399 4.268 20 30 DIEDHN N#CCCC[C@@H](NCc1cc2cccnc2o1)c1ccccc1 ZINC000449340608 1045378268 /nfs/dbraw/zinc/37/82/68/1045378268.db2.gz PILODJIHVKYKNX-GOSISDBHSA-N 0 3 305.381 4.353 20 30 DIEDHN Cc1cc(Cl)ccc1C1=CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000528740501 1045406649 /nfs/dbraw/zinc/40/66/49/1045406649.db2.gz AHVGJOHKLRXUHB-PBHICJAKSA-N 0 3 300.833 4.430 20 30 DIEDHN N#Cc1csc(CNC[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000449692021 1045429095 /nfs/dbraw/zinc/42/90/95/1045429095.db2.gz ZQGDCQBFBMUCSS-WBVHZDCISA-N 0 3 311.454 4.078 20 30 DIEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1cc(C)ccc1C ZINC000529677079 1045511880 /nfs/dbraw/zinc/51/18/80/1045511880.db2.gz ZFAMEZRDWVMMLU-LJQANCHMSA-N 0 3 318.424 4.064 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CCCc2cnn(C(C)C)c21 ZINC001119613797 1045518665 /nfs/dbraw/zinc/51/86/65/1045518665.db2.gz MUETYNFSZKSXHC-LJQANCHMSA-N 0 3 322.456 4.120 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCCCC3)n1 ZINC001122395239 1045564317 /nfs/dbraw/zinc/56/43/17/1045564317.db2.gz PGKCGKHCHINRLW-INIZCTEOSA-N 0 3 310.422 4.211 20 30 DIEDHN N#CC(C(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(F)n1 ZINC001122632690 1045568278 /nfs/dbraw/zinc/56/82/78/1045568278.db2.gz ZHLXFSAEQLTKQW-ZBUUCQELSA-N 0 3 312.388 4.003 20 30 DIEDHN C=CC1(CC(=O)C(C#N)c2ncc(F)cc2F)CCCCC1 ZINC001123382215 1045581100 /nfs/dbraw/zinc/58/11/00/1045581100.db2.gz QFGORZAISSLXLO-CYBMUJFWSA-N 0 3 304.340 4.063 20 30 DIEDHN C#CC[C@H]1CCCN([C@H](C)c2ccc(Br)cc2)C1 ZINC001460288997 1045590383 /nfs/dbraw/zinc/59/03/83/1045590383.db2.gz HLCZXNZNZGZZNZ-KGLIPLIRSA-N 0 3 306.247 4.245 20 30 DIEDHN C=C(C)CN(CC/C=C/c1ccccc1)Cc1ccc(CO)o1 ZINC000450983587 1045605487 /nfs/dbraw/zinc/60/54/87/1045605487.db2.gz RKXGUOFGUBHBLJ-UXBLZVDNSA-N 0 3 311.425 4.254 20 30 DIEDHN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C#N)cc1 ZINC000190841577 1045616218 /nfs/dbraw/zinc/61/62/18/1045616218.db2.gz MOGPZMPXBLWASB-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000451143193 1045629457 /nfs/dbraw/zinc/62/94/57/1045629457.db2.gz HMMWKYJMFNZCNO-MISXGVKJSA-N 0 3 314.326 4.249 20 30 DIEDHN CCCOc1ccc(C(C)(C)NCc2cccc(C#N)c2)cc1 ZINC000475669591 1045658861 /nfs/dbraw/zinc/65/88/61/1045658861.db2.gz ICFVUVZPWSYVBV-UHFFFAOYSA-N 0 3 308.425 4.372 20 30 DIEDHN COc1ccc2c(c1)nccc2NCc1ccc(C#N)c(Cl)c1 ZINC000800884687 1045662742 /nfs/dbraw/zinc/66/27/42/1045662742.db2.gz VZXCTPUOXMSNJS-UHFFFAOYSA-N 0 3 323.783 4.381 20 30 DIEDHN N#Cc1ccc(CNCc2cncc3ccccc32)cc1Cl ZINC000800895520 1045664689 /nfs/dbraw/zinc/66/46/89/1045664689.db2.gz GRVPQNIAJWRLAZ-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN C#CCCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000779411849 1045677825 /nfs/dbraw/zinc/67/78/25/1045677825.db2.gz HZTJYZRAVOOIRQ-HXUWFJFHSA-N 0 3 304.393 4.310 20 30 DIEDHN C=CCOc1cccc(CNCc2cccc3cccnc32)c1 ZINC001648973945 1045738060 /nfs/dbraw/zinc/73/80/60/1045738060.db2.gz RVIJQVDPXIOKFW-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000192162465 1045787448 /nfs/dbraw/zinc/78/74/48/1045787448.db2.gz HDRSLYCZYYZGQK-HNNXBMFYSA-N 0 3 323.415 4.148 20 30 DIEDHN C=CCc1cc(OC)cc(CN2CC[C@@H]2c2ccccc2)c1O ZINC000754725954 1045920148 /nfs/dbraw/zinc/92/01/48/1045920148.db2.gz ISNJVJWUUWEDDY-LJQANCHMSA-N 0 3 309.409 4.076 20 30 DIEDHN C=CCc1cc(C[N@H+](C2CC2)C2CCCC2)c([O-])c(OC)c1 ZINC000754726713 1045921267 /nfs/dbraw/zinc/92/12/67/1045921267.db2.gz SBQHWCWPGBQZBR-UHFFFAOYSA-N 0 3 301.430 4.036 20 30 DIEDHN C=CCc1cc(C[N@@H+](C2CC2)C2CCCC2)c([O-])c(OC)c1 ZINC000754726713 1045921273 /nfs/dbraw/zinc/92/12/73/1045921273.db2.gz SBQHWCWPGBQZBR-UHFFFAOYSA-N 0 3 301.430 4.036 20 30 DIEDHN C[C@H](c1ccco1)N(CCCOc1ccc(C#N)cc1)C1CC1 ZINC000754875932 1045935792 /nfs/dbraw/zinc/93/57/92/1045935792.db2.gz QMMYVIILDOQGFW-OAHLLOKOSA-N 0 3 310.397 4.146 20 30 DIEDHN CN(CCC#N)c1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000192907075 1045952817 /nfs/dbraw/zinc/95/28/17/1045952817.db2.gz YJZIDJAFWQLACO-UHFFFAOYSA-N 0 3 319.861 4.041 20 30 DIEDHN C=CC[C@@H](NCc1ccc2nc(C)sc2c1)c1ccncc1 ZINC000755195682 1045962533 /nfs/dbraw/zinc/96/25/33/1045962533.db2.gz OQFRVELYRRAPCH-MRXNPFEDSA-N 0 3 309.438 4.407 20 30 DIEDHN C#CC[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788941 1046008015 /nfs/dbraw/zinc/00/80/15/1046008015.db2.gz KESPAKZQKKRCNH-IAGOWNOFSA-N 0 3 323.440 4.150 20 30 DIEDHN C[C@@H](NCCSc1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902728632 1046051713 /nfs/dbraw/zinc/05/17/13/1046051713.db2.gz YEZLKDIKZBSBGU-GFCCVEGCSA-N 0 3 317.845 4.050 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735635 1046054774 /nfs/dbraw/zinc/05/47/74/1046054774.db2.gz GZOLQGWGVNTLEH-DYVFJYSZSA-N 0 3 308.381 4.089 20 30 DIEDHN CCC(=O)Nc1cccc(CN[C@H](CC)c2cccc(C#N)c2)c1 ZINC000902752501 1046058674 /nfs/dbraw/zinc/05/86/74/1046058674.db2.gz KCBXMQJCTWPHDE-LJQANCHMSA-N 0 3 321.424 4.148 20 30 DIEDHN CCOc1ccc(CN[C@H](CC)c2cccc(C#N)c2)cc1OC ZINC000902745235 1046059358 /nfs/dbraw/zinc/05/93/58/1046059358.db2.gz MJOZTJAHDSKHLZ-GOSISDBHSA-N 0 3 324.424 4.206 20 30 DIEDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000902779020 1046066057 /nfs/dbraw/zinc/06/60/57/1046066057.db2.gz KBXYCJZLOSGGRK-SFHVURJKSA-N 0 3 311.404 4.004 20 30 DIEDHN C[C@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)c2sccc21 ZINC000453367588 1046066910 /nfs/dbraw/zinc/06/69/10/1046066910.db2.gz DIMTWTYECZUZPV-MEDUHNTESA-N 0 3 300.402 4.487 20 30 DIEDHN COc1ccc(CNC2(c3ccc(C)cc3)CCC2)cc1C#N ZINC000830820184 1046103420 /nfs/dbraw/zinc/10/34/20/1046103420.db2.gz HRIKZNKDHCTCHY-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN Cc1ccc(SC[C@H](C)N[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902956392 1046126569 /nfs/dbraw/zinc/12/65/69/1046126569.db2.gz AGQZXBDOZYKYBC-GJZGRUSLSA-N 0 3 311.454 4.093 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903001804 1046139292 /nfs/dbraw/zinc/13/92/92/1046139292.db2.gz XOOJHFTUDDJMTJ-SCLBCKFNSA-N 0 3 309.369 4.268 20 30 DIEDHN CCCCCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000831499851 1046143646 /nfs/dbraw/zinc/14/36/46/1046143646.db2.gz RINDXYGMRVFYIB-UHFFFAOYSA-N 0 3 316.489 4.081 20 30 DIEDHN C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2[O-] ZINC000756857461 1046145654 /nfs/dbraw/zinc/14/56/54/1046145654.db2.gz OMVBESSRJQMVML-LRDDRELGSA-N 0 3 322.383 4.230 20 30 DIEDHN C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2[O-] ZINC000756857466 1046145774 /nfs/dbraw/zinc/14/57/74/1046145774.db2.gz OMVBESSRJQMVML-WBMJQRKESA-N 0 3 322.383 4.230 20 30 DIEDHN CC[C@H](N[C@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054651 1046149187 /nfs/dbraw/zinc/14/91/87/1046149187.db2.gz NVEAYZCRRIZIKG-HBMCJLEFSA-N 0 3 322.452 4.357 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336338 1046153606 /nfs/dbraw/zinc/15/36/06/1046153606.db2.gz PQMOQZMGLMIHJX-OAQYLSRUSA-N 0 3 314.432 4.212 20 30 DIEDHN COc1ccc(CNCc2c(C)cc(Cl)cc2C)cc1C#N ZINC000756990317 1046157092 /nfs/dbraw/zinc/15/70/92/1046157092.db2.gz KTRCESZZFOGEKC-UHFFFAOYSA-N 0 3 314.816 4.127 20 30 DIEDHN COc1ccc2c(c1Cl)[C@@H](NCC1(CC#N)CC1)CCC2 ZINC000903168567 1046181691 /nfs/dbraw/zinc/18/16/91/1046181691.db2.gz XPUATKDEXCXXLD-ZDUSSCGKSA-N 0 3 304.821 4.009 20 30 DIEDHN C=CCC[C@@H](NCc1cc(C)nn1C)c1cccc(Cl)c1 ZINC000903164854 1046182991 /nfs/dbraw/zinc/18/29/91/1046182991.db2.gz IZVXAXWYNJHLAL-QGZVFWFLSA-N 0 3 303.837 4.179 20 30 DIEDHN CCOc1ccc2ccccc2c1CN1CCC(C)(C#N)CC1 ZINC001138444615 1046184587 /nfs/dbraw/zinc/18/45/87/1046184587.db2.gz YSXBRGWDJJHKMK-UHFFFAOYSA-N 0 3 308.425 4.364 20 30 DIEDHN COc1ccc2c(c1Cl)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000903192918 1046189027 /nfs/dbraw/zinc/18/90/27/1046189027.db2.gz RUDBOMGMIPKLNO-IACUBPJLSA-N 0 3 304.821 4.008 20 30 DIEDHN COc1ccc2c(c1Cl)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000903192919 1046189993 /nfs/dbraw/zinc/18/99/93/1046189993.db2.gz RUDBOMGMIPKLNO-YUTCNCBUSA-N 0 3 304.821 4.008 20 30 DIEDHN C=CCC[C@H](NCc1ccnn1CC)c1cccc(Cl)c1 ZINC000903206000 1046194093 /nfs/dbraw/zinc/19/40/93/1046194093.db2.gz OBTYLEYXRFMVOR-KRWDZBQOSA-N 0 3 303.837 4.354 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000903235255 1046203283 /nfs/dbraw/zinc/20/32/83/1046203283.db2.gz WNFRDYWUBXYRPA-KGLIPLIRSA-N 0 3 312.388 4.426 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000903286615 1046223552 /nfs/dbraw/zinc/22/35/52/1046223552.db2.gz CSHMEFJPEVGCRX-ACJLOTCBSA-N 0 3 309.369 4.268 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000831938097 1046227554 /nfs/dbraw/zinc/22/75/54/1046227554.db2.gz YEHLUIJWCXNMEH-IAGOWNOFSA-N 0 3 308.510 4.140 20 30 DIEDHN C=CCCN(Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC001138601517 1046235005 /nfs/dbraw/zinc/23/50/05/1046235005.db2.gz KHTPZOABCVZNJV-UHFFFAOYSA-N 0 3 317.436 4.451 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000245506137 1046237318 /nfs/dbraw/zinc/23/73/18/1046237318.db2.gz NIVJBNSSYYOLOG-QRWLVFNGSA-N 0 3 324.399 4.454 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(Cl)c(C)c2)cc1 ZINC000758015684 1046238561 /nfs/dbraw/zinc/23/85/61/1046238561.db2.gz ILSACYPURPZONV-UHFFFAOYSA-N 0 3 313.828 4.340 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c1[O-] ZINC001138629695 1046250731 /nfs/dbraw/zinc/25/07/31/1046250731.db2.gz FSUWTQKVPJFUSL-UHFFFAOYSA-N 0 3 315.457 4.044 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC(OC2CCC2)CC1 ZINC001138661509 1046259314 /nfs/dbraw/zinc/25/93/14/1046259314.db2.gz AVNFJTRTJIWABP-UHFFFAOYSA-N 0 3 315.457 4.175 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC2(CCOCC2)CC1 ZINC001138665665 1046259436 /nfs/dbraw/zinc/25/94/36/1046259436.db2.gz RYUXYCRFJMTEJV-UHFFFAOYSA-N 0 3 315.457 4.034 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000748270737 1046362984 /nfs/dbraw/zinc/36/29/84/1046362984.db2.gz WWQYFPZIAPDCHM-YLJYHZDGSA-N 0 3 324.399 4.284 20 30 DIEDHN Cc1nc2c(s1)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745251 1046401778 /nfs/dbraw/zinc/40/17/78/1046401778.db2.gz HTKYZFLCZFZTJH-ZUZCIYMTSA-N 0 3 315.417 4.191 20 30 DIEDHN C=CCN(C)Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC001139329188 1046429568 /nfs/dbraw/zinc/42/95/68/1046429568.db2.gz WGNKGYKKOKIETL-UHFFFAOYSA-N 0 3 306.331 4.385 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2cccc(OC)c2)n1 ZINC000639863588 1046432193 /nfs/dbraw/zinc/43/21/93/1046432193.db2.gz NCTORXVCQRTETH-CALCHBBNSA-N 0 3 310.397 4.033 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000749129397 1046432555 /nfs/dbraw/zinc/43/25/55/1046432555.db2.gz QZLJJALFHHRXQC-CRAIPNDOSA-N 0 3 324.424 4.227 20 30 DIEDHN Cc1cccc(OCCCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000781422917 1046444342 /nfs/dbraw/zinc/44/43/42/1046444342.db2.gz NJZOCXOYCYHCQE-OAHLLOKOSA-N 0 3 312.388 4.126 20 30 DIEDHN CCCCCN(C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423279 1046449206 /nfs/dbraw/zinc/44/92/06/1046449206.db2.gz BKZHZPJXBNSENN-UHFFFAOYSA-N 0 3 309.413 4.368 20 30 DIEDHN CCCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041519446 1046450495 /nfs/dbraw/zinc/45/04/95/1046450495.db2.gz BYQOTXPEDDLDNV-HNNXBMFYSA-N 0 3 314.410 4.121 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)cc1F ZINC001139527240 1046463508 /nfs/dbraw/zinc/46/35/08/1046463508.db2.gz BVPRYCBKCMGCDH-QGZVFWFLSA-N 0 3 308.400 4.152 20 30 DIEDHN C[C@@H]1CC[C@]2(CCN(Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108728 1046493949 /nfs/dbraw/zinc/49/39/49/1046493949.db2.gz VFSQKSDOBWXDIX-KDOFPFPSSA-N 0 3 318.848 4.254 20 30 DIEDHN Cc1ccc(CN2CCC[C@@H](Sc3ccncc3)C2)cc1C#N ZINC001139726276 1046505733 /nfs/dbraw/zinc/50/57/33/1046505733.db2.gz DUAVDNLMYWGNDZ-LJQANCHMSA-N 0 3 323.465 4.018 20 30 DIEDHN COC1(c2ccccc2)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139726134 1046506806 /nfs/dbraw/zinc/50/68/06/1046506806.db2.gz UVZLIFZIKHNHGT-UHFFFAOYSA-N 0 3 320.436 4.004 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cnc2cccnc2c1 ZINC001139740605 1046509107 /nfs/dbraw/zinc/50/91/07/1046509107.db2.gz CXVNTWIGZZYEOS-UHFFFAOYSA-N 0 3 303.409 4.208 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1CN1CCC[C@@H](CC#N)C1 ZINC001139822572 1046527192 /nfs/dbraw/zinc/52/71/92/1046527192.db2.gz GMADGYBNYPZSHH-HNNXBMFYSA-N 0 3 311.454 4.244 20 30 DIEDHN N#Cc1cc(F)cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001139875715 1046539009 /nfs/dbraw/zinc/53/90/09/1046539009.db2.gz BMQUMECMBLYEFN-MRXNPFEDSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001139874905 1046539369 /nfs/dbraw/zinc/53/93/69/1046539369.db2.gz QVVQWAKVYZZVEQ-KRWDZBQOSA-N 0 3 308.400 4.152 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC[C@H](c3ccccc3)CC2)c1 ZINC001139876252 1046539922 /nfs/dbraw/zinc/53/99/22/1046539922.db2.gz OKEHOHPCMZXDNM-IBGZPJMESA-N 0 3 308.400 4.467 20 30 DIEDHN N#Cc1cc(F)cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001139875714 1046540873 /nfs/dbraw/zinc/54/08/73/1046540873.db2.gz BMQUMECMBLYEFN-INIZCTEOSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3c4ccccc4sc32)nc1 ZINC000783294379 1046575778 /nfs/dbraw/zinc/57/57/78/1046575778.db2.gz OUKOIDRRXJMOOH-QGZVFWFLSA-N 0 3 319.433 4.335 20 30 DIEDHN N#CC(C(=O)CCCc1ccsc1)c1ccc2ccccc2n1 ZINC000783339621 1046582724 /nfs/dbraw/zinc/58/27/24/1046582724.db2.gz FWEZDCSNAAJGOZ-INIZCTEOSA-N 0 3 320.417 4.495 20 30 DIEDHN N#Cc1ccc2[nH]cc(CN3CCCC4(CC(F)C4)CC3)c2c1 ZINC001140115577 1046595060 /nfs/dbraw/zinc/59/50/60/1046595060.db2.gz HQFDDOKTYSKMSX-UHFFFAOYSA-N 0 3 311.404 4.144 20 30 DIEDHN C=CCOc1ccccc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000678238413 1046597487 /nfs/dbraw/zinc/59/74/87/1046597487.db2.gz IEATWGRRUCUXEX-OAQYLSRUSA-N 0 3 323.436 4.215 20 30 DIEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)cc1F ZINC000237749534 1046598539 /nfs/dbraw/zinc/59/85/39/1046598539.db2.gz OMXDZZVWJCZMSQ-UHFFFAOYSA-N 0 3 312.388 4.107 20 30 DIEDHN CCOc1ccc2[nH]cc(CN(C)Cc3ccc(C#N)cc3)c2c1 ZINC001140271127 1046636065 /nfs/dbraw/zinc/63/60/65/1046636065.db2.gz XOUHCWYPDVDUMP-UHFFFAOYSA-N 0 3 319.408 4.070 20 30 DIEDHN C=CCCC[C@@H](C)N[C@H](C)c1nc(Br)cs1 ZINC000834702489 1046651569 /nfs/dbraw/zinc/65/15/69/1046651569.db2.gz PFOMWIIBVJSZBG-NXEZZACHSA-N 0 3 303.269 4.301 20 30 DIEDHN C=CCC[C@H](NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000643321476 1046659920 /nfs/dbraw/zinc/65/99/20/1046659920.db2.gz QRWPTUAHFWOTSX-SFHVURJKSA-N 0 3 309.457 4.096 20 30 DIEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000245918984 1046670207 /nfs/dbraw/zinc/67/02/07/1046670207.db2.gz NNQCTWFIWZZMOD-HZSPNIEDSA-N 0 3 323.362 4.231 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(Cl)nc1 ZINC000795778676 1046676887 /nfs/dbraw/zinc/67/68/87/1046676887.db2.gz RIFYXTHTYATFFA-KRWDZBQOSA-N 0 3 311.816 4.164 20 30 DIEDHN C=CCCOCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000678606926 1046677507 /nfs/dbraw/zinc/67/75/07/1046677507.db2.gz YUWIJWBVONHWPS-CQSZACIVSA-N 0 3 300.229 4.163 20 30 DIEDHN CCCN(Cc1ccccc1O)Cc1ccc(C#N)cc1Cl ZINC000784342509 1046683503 /nfs/dbraw/zinc/68/35/03/1046683503.db2.gz WCAYCYOCIXXSOT-UHFFFAOYSA-N 0 3 314.816 4.329 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838911 1046685197 /nfs/dbraw/zinc/68/51/97/1046685197.db2.gz IZNAFDUNKOOWMA-SJKOYZFVSA-N 0 3 311.816 4.335 20 30 DIEDHN COc1ccc2c(c1)nccc2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000784827217 1046710839 /nfs/dbraw/zinc/71/08/39/1046710839.db2.gz GDMSFIIZSFYAOS-GOSISDBHSA-N 0 3 315.376 4.214 20 30 DIEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000533538911 1046745585 /nfs/dbraw/zinc/74/55/85/1046745585.db2.gz OMJOTCMYCKHKQZ-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN Cc1ccc(F)cc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001140592475 1046801135 /nfs/dbraw/zinc/80/11/35/1046801135.db2.gz NIENUCMGFKQMFJ-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1ccc(Cl)c(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001140600955 1046806111 /nfs/dbraw/zinc/80/61/11/1046806111.db2.gz BXKNYQCUDBEPLS-KRWDZBQOSA-N 0 3 310.828 4.276 20 30 DIEDHN COc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)c(C)c1 ZINC001140675954 1046845562 /nfs/dbraw/zinc/84/55/62/1046845562.db2.gz ZSQHPOAJPSHRCI-UHFFFAOYSA-N 0 3 320.436 4.061 20 30 DIEDHN C#CCN(Cc1ccc(OC)cc1C)[C@@H]1CCc2ccccc21 ZINC001140678202 1046849213 /nfs/dbraw/zinc/84/92/13/1046849213.db2.gz UCLREBYLTFOHQF-OAQYLSRUSA-N 0 3 305.421 4.126 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3occc3c2)c1 ZINC000796308718 1046876604 /nfs/dbraw/zinc/87/66/04/1046876604.db2.gz SILFACNKHMCULM-SFHVURJKSA-N 0 3 320.392 4.404 20 30 DIEDHN CC[C@H](c1ccccc1)N(C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755297 1046889667 /nfs/dbraw/zinc/88/96/67/1046889667.db2.gz ZAQISSAJLWQMAX-GOSISDBHSA-N 0 3 300.352 4.420 20 30 DIEDHN Cc1cc(F)ccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001140780575 1046892495 /nfs/dbraw/zinc/89/24/95/1046892495.db2.gz FJBPCCOADBADTO-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN N#C[C@H]1CCCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941333 1046956025 /nfs/dbraw/zinc/95/60/25/1046956025.db2.gz GNADIZVGUMGWSF-HNNXBMFYSA-N 0 3 313.832 4.256 20 30 DIEDHN CCCCc1ncc(CN2CCC(c3cccc(C#N)c3)CC2)[nH]1 ZINC001141070035 1046996933 /nfs/dbraw/zinc/99/69/33/1046996933.db2.gz MAILPAZEMUOWSC-UHFFFAOYSA-N 0 3 322.456 4.004 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000272549562 1047015720 /nfs/dbraw/zinc/01/57/20/1047015720.db2.gz QYEPOLBLYFVHAH-MRXNPFEDSA-N 0 3 314.454 4.184 20 30 DIEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)c(F)c1 ZINC001141194609 1047040619 /nfs/dbraw/zinc/04/06/19/1047040619.db2.gz FQFRUIIFJIAIOO-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719333 1047055911 /nfs/dbraw/zinc/05/59/11/1047055911.db2.gz ZSQQCJARUNTWMW-MOPGFXCFSA-N 0 3 308.425 4.375 20 30 DIEDHN CN(Cc1c[nH]c2cc(Cl)ccc12)Cc1ccc(C#N)cc1 ZINC001141583907 1047205082 /nfs/dbraw/zinc/20/50/82/1047205082.db2.gz XHVMHLBUMLDRON-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CCC(CC)N(CC)Cc1cc(C#N)ccc1Br ZINC001141662409 1047255209 /nfs/dbraw/zinc/25/52/09/1047255209.db2.gz ITVMAEYEUUIPEP-UHFFFAOYSA-N 0 3 309.251 4.331 20 30 DIEDHN CSc1nc(CN2CCC[C@@H](c3ccccc3)C2)ccc1C#N ZINC001141938941 1047312721 /nfs/dbraw/zinc/31/27/21/1047312721.db2.gz KDOMWOIPFBQPJX-QGZVFWFLSA-N 0 3 323.465 4.055 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc2cccnc12 ZINC000612185638 1047367986 /nfs/dbraw/zinc/36/79/86/1047367986.db2.gz QFVPZERVHMVTBC-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN C=CCOc1ccc(CN(Cc2c[nH]nc2C)C(C)(C)C)cc1 ZINC000120075705 1047482549 /nfs/dbraw/zinc/48/25/49/1047482549.db2.gz KAVJRYRZFVLWNX-UHFFFAOYSA-N 0 3 313.445 4.084 20 30 DIEDHN C=CCN(Cc1cnn(CC(F)(F)F)c1)CC1CCCCC1 ZINC000537628739 1047495120 /nfs/dbraw/zinc/49/51/20/1047495120.db2.gz WMAGYQRRGHBZTO-UHFFFAOYSA-N 0 3 315.383 4.014 20 30 DIEDHN N#CC(C(=O)C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802897 1047504967 /nfs/dbraw/zinc/50/49/67/1047504967.db2.gz KTPBXTYIHNUOCG-GFUIURDCSA-N 0 3 308.303 4.023 20 30 DIEDHN N#Cc1ccc2c(CN3CCCC4(CC(F)C4)CC3)c[nH]c2c1 ZINC001142922520 1047514805 /nfs/dbraw/zinc/51/48/05/1047514805.db2.gz LBVPSZRYXRLPGO-UHFFFAOYSA-N 0 3 311.404 4.144 20 30 DIEDHN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000926899103 1047571955 /nfs/dbraw/zinc/57/19/55/1047571955.db2.gz USLVEXDBQIFTKG-GJZGRUSLSA-N 0 3 312.388 4.448 20 30 DIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407666 1047675852 /nfs/dbraw/zinc/67/58/52/1047675852.db2.gz IZBGYLRUWNLSBI-KGLIPLIRSA-N 0 3 316.424 4.110 20 30 DIEDHN C=CCOc1cccc(CN2CCC[C@H]2c2cccc(C)n2)c1 ZINC000538725627 1047706317 /nfs/dbraw/zinc/70/63/17/1047706317.db2.gz MFIOXQMWQGDRCM-FQEVSTJZSA-N 0 3 308.425 4.292 20 30 DIEDHN C#CCN(C[C@H]1CCCC(C)(C)O1)[C@@H]1CCCc2ccccc21 ZINC001198105809 1047926909 /nfs/dbraw/zinc/92/69/09/1047926909.db2.gz ZJDIBXUGNHROKA-UYAOXDASSA-N 0 3 311.469 4.347 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001174615230 1047927068 /nfs/dbraw/zinc/92/70/68/1047927068.db2.gz RDRCUMPZELGVEI-KRWDZBQOSA-N 0 3 324.509 4.310 20 30 DIEDHN C=CCC[C@@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001198414521 1047953917 /nfs/dbraw/zinc/95/39/17/1047953917.db2.gz VFQYOEWVMALXOY-CYBMUJFWSA-N 0 3 323.396 4.012 20 30 DIEDHN C=CCC[C@@H]1CCC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001198414521 1047953922 /nfs/dbraw/zinc/95/39/22/1047953922.db2.gz VFQYOEWVMALXOY-CYBMUJFWSA-N 0 3 323.396 4.012 20 30 DIEDHN CC1(C)CN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCC[C@@H]21 ZINC001198452283 1047957800 /nfs/dbraw/zinc/95/78/00/1047957800.db2.gz YNGXGRXGLWZLGX-LSDHHAIUSA-N 0 3 320.383 4.170 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)NCc1ccccc1OCC(F)(F)F ZINC000924726467 1047962112 /nfs/dbraw/zinc/96/21/12/1047962112.db2.gz NDVFHDALVLZIGW-LBPRGKRZSA-N 0 3 314.351 4.046 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001174771159 1047965236 /nfs/dbraw/zinc/96/52/36/1047965236.db2.gz NPIWMBWBFQYPJZ-RYGJVYDSSA-N 0 3 320.436 4.350 20 30 DIEDHN CN(Cc1ccc(Br)cc1C#N)C1(C)CCCC1 ZINC000554263103 1048048146 /nfs/dbraw/zinc/04/81/46/1048048146.db2.gz FJVJJOHAEKOMJQ-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN CCCCCCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001175079376 1048133149 /nfs/dbraw/zinc/13/31/49/1048133149.db2.gz KHQDBMCWUAHUAA-UHFFFAOYSA-N 0 3 313.489 4.256 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981382 1048247281 /nfs/dbraw/zinc/24/72/81/1048247281.db2.gz CBVVTZYVUCXJKZ-XIKOKIGWSA-N 0 3 310.372 4.044 20 30 DIEDHN CC(C)[Si](C#CNC[C@@H](O)c1ccco1)(C(C)C)C(C)C ZINC001162258294 1048252943 /nfs/dbraw/zinc/25/29/43/1048252943.db2.gz OADRBXXYRMWHNF-MRXNPFEDSA-N 0 3 307.510 4.082 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000776165809 1048262420 /nfs/dbraw/zinc/26/24/20/1048262420.db2.gz WYFGOOFFYKNZJJ-HNAYVOBHSA-N 0 3 319.408 4.090 20 30 DIEDHN CCN1CCCC[C@H]1c1ccc(N[C@@](C)(C#N)CC(C)C)nc1 ZINC001162520296 1048295760 /nfs/dbraw/zinc/29/57/60/1048295760.db2.gz WMWGNZYNOJAYLP-PKOBYXMFSA-N 0 3 314.477 4.369 20 30 DIEDHN CCCCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC001203970678 1048307406 /nfs/dbraw/zinc/30/74/06/1048307406.db2.gz QTELKFIPEOCSPQ-UHFFFAOYSA-N 0 3 308.425 4.369 20 30 DIEDHN C=CCOCCN[C@H](C)c1ccccc1OCc1ccccc1 ZINC000555421131 1048340667 /nfs/dbraw/zinc/34/06/67/1048340667.db2.gz VPUQUCIUTMAANG-QGZVFWFLSA-N 0 3 311.425 4.119 20 30 DIEDHN CCCCCCCN1CCc2ncc(Br)cc2C1 ZINC001201787796 1048379690 /nfs/dbraw/zinc/37/96/90/1048379690.db2.gz MUZSBWBQTNRARD-UHFFFAOYSA-N 0 3 311.267 4.173 20 30 DIEDHN CC(C)[C@H](C#N)c1ccc(-n2c3ccccc3nc2[C@@H](C)N)cc1 ZINC001162777273 1048356525 /nfs/dbraw/zinc/35/65/25/1048356525.db2.gz OTQHULBJEPQLRA-PBHICJAKSA-N 0 3 318.424 4.308 20 30 DIEDHN CCCCCCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC001201853023 1048380916 /nfs/dbraw/zinc/38/09/16/1048380916.db2.gz YKSKGVVBIFONHF-UHFFFAOYSA-N 0 3 301.478 4.463 20 30 DIEDHN C=C(C)[C@@H](NCCc1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000481613947 1048438590 /nfs/dbraw/zinc/43/85/90/1048438590.db2.gz PQWRRGFKGNGUBD-QGZVFWFLSA-N 0 3 306.356 4.019 20 30 DIEDHN N#Cc1ccc(-c2ccc(N[C@H]3CNCc4ccsc43)cc2)o1 ZINC001163230255 1048441577 /nfs/dbraw/zinc/44/15/77/1048441577.db2.gz UKDMXAZVNCMABQ-INIZCTEOSA-N 0 3 321.405 4.136 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)sc1Cl ZINC001202185162 1048472909 /nfs/dbraw/zinc/47/29/09/1048472909.db2.gz YXMRSOBJQJMYGT-SKDRFNHKSA-N 0 3 306.258 4.126 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Cl)sc1Cl ZINC001202185160 1048473834 /nfs/dbraw/zinc/47/38/34/1048473834.db2.gz YXMRSOBJQJMYGT-JOYOIKCWSA-N 0 3 306.258 4.126 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000237506482 1048604732 /nfs/dbraw/zinc/60/47/32/1048604732.db2.gz FPURTDWCXPVTIU-KSSFIOAISA-N 0 3 324.449 4.304 20 30 DIEDHN CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1OC ZINC000850030247 1048612158 /nfs/dbraw/zinc/61/21/58/1048612158.db2.gz WDJYOPAPIVNELB-IBGZPJMESA-N 0 3 320.436 4.491 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000850438267 1048656221 /nfs/dbraw/zinc/65/62/21/1048656221.db2.gz DDXIXTBMVVGSPF-HUUCEWRRSA-N 0 3 306.409 4.295 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC000850739911 1048705146 /nfs/dbraw/zinc/70/51/46/1048705146.db2.gz ZDQQOAJRVOIRIZ-OAHLLOKOSA-N 0 3 321.424 4.110 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850761667 1048706507 /nfs/dbraw/zinc/70/65/07/1048706507.db2.gz QBJLOEZXFDXYKZ-GUYCJALGSA-N 0 3 324.424 4.038 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)c1 ZINC000850756663 1048707398 /nfs/dbraw/zinc/70/73/98/1048707398.db2.gz CKWKSWZXGAYIRJ-KRWDZBQOSA-N 0 3 324.424 4.003 20 30 DIEDHN C[C@H](c1cc(F)ccc1F)N(C)CCc1ccc(C#N)cc1 ZINC001190382581 1048723152 /nfs/dbraw/zinc/72/31/52/1048723152.db2.gz JLKKXEJQQNOEFY-CYBMUJFWSA-N 0 3 300.352 4.072 20 30 DIEDHN Cc1cccc(OCCN(C)CCC2(C#N)CCCCC2)c1 ZINC001190392750 1048726713 /nfs/dbraw/zinc/72/67/13/1048726713.db2.gz SKAZBQOYKBFFHB-UHFFFAOYSA-N 0 3 300.446 4.170 20 30 DIEDHN N#Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000109797504 1048742494 /nfs/dbraw/zinc/74/24/94/1048742494.db2.gz BEDKCGNJQRZNPS-UHFFFAOYSA-N 0 3 306.409 4.209 20 30 DIEDHN N#Cc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000109797504 1048742499 /nfs/dbraw/zinc/74/24/99/1048742499.db2.gz BEDKCGNJQRZNPS-UHFFFAOYSA-N 0 3 306.409 4.209 20 30 DIEDHN CC(C)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396259 1048754228 /nfs/dbraw/zinc/75/42/28/1048754228.db2.gz VIBIVTSSNCPXJM-ICSRJNTNSA-N 0 3 305.425 4.318 20 30 DIEDHN COC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCCC1 ZINC000483262463 1048766291 /nfs/dbraw/zinc/76/62/91/1048766291.db2.gz AQVUIKXPCIZSTC-MOPGFXCFSA-N 0 3 312.457 4.107 20 30 DIEDHN COC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000483262465 1048767884 /nfs/dbraw/zinc/76/78/84/1048767884.db2.gz AQVUIKXPCIZSTC-RBUKOAKNSA-N 0 3 312.457 4.107 20 30 DIEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000160882454 1048780507 /nfs/dbraw/zinc/78/05/07/1048780507.db2.gz PRHFLQKAYMBHFO-CQSZACIVSA-N 0 3 307.372 4.152 20 30 DIEDHN N#Cc1ccccc1N1CCN(CCCC2CCCCC2)CC1 ZINC001190731777 1048782169 /nfs/dbraw/zinc/78/21/69/1048782169.db2.gz SPCCOOMRLXFIRI-UHFFFAOYSA-N 0 3 311.473 4.041 20 30 DIEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000160882317 1048787039 /nfs/dbraw/zinc/78/70/39/1048787039.db2.gz PRHFLQKAYMBHFO-AWEZNQCLSA-N 0 3 307.372 4.152 20 30 DIEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001176771234 1048789770 /nfs/dbraw/zinc/78/97/70/1048789770.db2.gz IRTXZOWHBASGRP-HNNXBMFYSA-N 0 3 306.837 4.018 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1ccn(CCc2ccccc2)n1 ZINC001176771953 1048789793 /nfs/dbraw/zinc/78/97/93/1048789793.db2.gz ZAZLAVZUBHPWIU-HXUWFJFHSA-N 0 3 309.457 4.056 20 30 DIEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000483414069 1048790641 /nfs/dbraw/zinc/79/06/41/1048790641.db2.gz VEKPDFCHJKIYNK-IBGZPJMESA-N 0 3 312.363 4.000 20 30 DIEDHN CN(Cc1ccc(C#N)c(F)c1)Cc1ccc2ccccc2c1 ZINC000483533650 1048814267 /nfs/dbraw/zinc/81/42/67/1048814267.db2.gz AQXREVVHLBTIMC-UHFFFAOYSA-N 0 3 304.368 4.483 20 30 DIEDHN C=CC1CCN(Cc2c3ccccc3oc2C(=O)OCC)CC1 ZINC001191014122 1048820347 /nfs/dbraw/zinc/82/03/47/1048820347.db2.gz XXGJXCLOKOENNN-UHFFFAOYSA-N 0 3 313.397 4.008 20 30 DIEDHN C=CC[C@H]1CCCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412222 1048837820 /nfs/dbraw/zinc/83/78/20/1048837820.db2.gz ZQDSMMGTKWDAKO-HOTGVXAUSA-N 0 3 311.429 4.394 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2ncsc2c1 ZINC000483713482 1048841910 /nfs/dbraw/zinc/84/19/10/1048841910.db2.gz UFSWLRVBERFAHU-LLVKDONJSA-N 0 3 311.385 4.158 20 30 DIEDHN CC#CCN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001191078705 1048843519 /nfs/dbraw/zinc/84/35/19/1048843519.db2.gz UVRUFWTZEMCUQM-UHFFFAOYSA-N 0 3 312.240 4.108 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852782538 1048860527 /nfs/dbraw/zinc/86/05/27/1048860527.db2.gz VBODYHSTPUIBMR-OAHLLOKOSA-N 0 3 306.409 4.043 20 30 DIEDHN Cc1cc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)c(C)o1 ZINC000067506527 1048861514 /nfs/dbraw/zinc/86/15/14/1048861514.db2.gz HUNJXQJWVQRYFH-OAHLLOKOSA-N 0 3 311.429 4.097 20 30 DIEDHN COc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000338954227 1048865291 /nfs/dbraw/zinc/86/52/91/1048865291.db2.gz NDIRYQGYDYGFKV-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN Cc1cccc([C@@H]2CCCCCN2Cc2cncc(C#N)c2)c1 ZINC001191132283 1048875591 /nfs/dbraw/zinc/87/55/91/1048875591.db2.gz JOAUZQWGTPDNDZ-FQEVSTJZSA-N 0 3 305.425 4.379 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc(F)cc2)CC2CC2)cc1F ZINC000483928806 1048884810 /nfs/dbraw/zinc/88/48/10/1048884810.db2.gz HIOUKICECIVWOG-UHFFFAOYSA-N 0 3 312.363 4.249 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000338955570 1048888758 /nfs/dbraw/zinc/88/87/58/1048888758.db2.gz GDBWJWRXLLWCPO-FQEVSTJZSA-N 0 3 324.399 4.285 20 30 DIEDHN FC(F)(F)[C@@H]1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000853284156 1048895568 /nfs/dbraw/zinc/89/55/68/1048895568.db2.gz RRTZDIFASMUCKX-GXTWGEPZSA-N 0 3 322.334 4.148 20 30 DIEDHN C=C(CNCc1cn(-c2cccc(F)c2)nc1C)c1ccccc1 ZINC001177687672 1048931860 /nfs/dbraw/zinc/93/18/60/1048931860.db2.gz FYPWHNKSQUFEKV-UHFFFAOYSA-N 0 3 321.399 4.123 20 30 DIEDHN COc1ccc(CN(CCC#N)C2CCCCCCC2)c(O)c1 ZINC001203629446 1048945593 /nfs/dbraw/zinc/94/55/93/1048945593.db2.gz KWXFIGBGDBKSJN-UHFFFAOYSA-N 0 3 316.445 4.229 20 30 DIEDHN N#CC(Cc1cccs1)C(=O)Nc1cc2ccccc2s1 ZINC001177904145 1048960261 /nfs/dbraw/zinc/96/02/61/1048960261.db2.gz NGEIZQMTLXDQAL-LBPRGKRZSA-N 0 3 312.419 4.284 20 30 DIEDHN COc1cccc([C@H]2CCCCN2Cc2cccc(C#N)c2)c1 ZINC001203762692 1048992907 /nfs/dbraw/zinc/99/29/07/1048992907.db2.gz NPUXLIOSDDJCCS-HXUWFJFHSA-N 0 3 306.409 4.294 20 30 DIEDHN N#Cc1ccc(CC2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC001203785580 1048998083 /nfs/dbraw/zinc/99/80/83/1048998083.db2.gz IEEFTLGXASYUCC-UHFFFAOYSA-N 0 3 308.400 4.152 20 30 DIEDHN C#CCC1(NCc2nc3c(s2)C[C@@H](C)CC3)CCCCC1 ZINC001203808931 1049004910 /nfs/dbraw/zinc/00/49/10/1049004910.db2.gz BHHOPVAEVZWXNH-AWEZNQCLSA-N 0 3 302.487 4.084 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(F)(F)F)ccc1Cl ZINC001178762018 1049085437 /nfs/dbraw/zinc/08/54/37/1049085437.db2.gz BEKAEYXHBVXRJO-KGLIPLIRSA-N 0 3 319.754 4.182 20 30 DIEDHN C#Cc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001178759199 1049085851 /nfs/dbraw/zinc/08/58/51/1049085851.db2.gz ZAJGVCJUCVKDKF-UHFFFAOYSA-N 0 3 307.290 4.116 20 30 DIEDHN C(#Cc1ccccc1)CN1CC[C@H](CSc2ccccc2)C1 ZINC001204163995 1049099815 /nfs/dbraw/zinc/09/98/15/1049099815.db2.gz WWVOSNJXPFOPGC-IBGZPJMESA-N 0 3 307.462 4.152 20 30 DIEDHN C=CCN(Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC001192516151 1049112724 /nfs/dbraw/zinc/11/27/24/1049112724.db2.gz UUPXNVGWDKJIHD-UHFFFAOYSA-N 0 3 300.627 4.253 20 30 DIEDHN C=CCN(Cc1ccc(Br)cn1)CC1CCCCC1 ZINC000484943505 1049108636 /nfs/dbraw/zinc/10/86/36/1049108636.db2.gz FSMXRWOBBQSGRY-UHFFFAOYSA-N 0 3 323.278 4.412 20 30 DIEDHN C=CCN(CCOc1ccc(F)cc1Cl)CCc1ccco1 ZINC001192653475 1049124293 /nfs/dbraw/zinc/12/42/93/1049124293.db2.gz OFUUFHLBYKGGNH-UHFFFAOYSA-N 0 3 323.795 4.182 20 30 DIEDHN N#Cc1ccc(CCNCc2ccc(Oc3ccccc3)o2)cc1 ZINC001179142391 1049130656 /nfs/dbraw/zinc/13/06/56/1049130656.db2.gz HDJIZXGCTAISQE-UHFFFAOYSA-N 0 3 318.376 4.276 20 30 DIEDHN C#CCOc1ccc([C@H](C)NC2(c3ccc(OC)cc3)CC2)cc1 ZINC000776960904 1049196632 /nfs/dbraw/zinc/19/66/32/1049196632.db2.gz VEDDMZGQPBGZTE-INIZCTEOSA-N 0 3 321.420 4.047 20 30 DIEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001204768624 1049259225 /nfs/dbraw/zinc/25/92/25/1049259225.db2.gz LPUYCYJLTYICEL-UHFFFAOYSA-N 0 3 306.450 4.103 20 30 DIEDHN C#CCN(Cc1ccc(F)cc1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180030494 1049261495 /nfs/dbraw/zinc/26/14/95/1049261495.db2.gz NJBGLIOIQXCUTN-NHCUHLMSSA-N 0 3 307.412 4.455 20 30 DIEDHN C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484648 1049264167 /nfs/dbraw/zinc/26/41/67/1049264167.db2.gz XFENWBIZONEIRS-FOIQADDNSA-N 0 3 321.424 4.176 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582034 1049279687 /nfs/dbraw/zinc/27/96/87/1049279687.db2.gz LLMLEVXJESFWNS-RBUKOAKNSA-N 0 3 308.812 4.476 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000485854732 1049355335 /nfs/dbraw/zinc/35/53/35/1049355335.db2.gz XJNUMNAYFBILRM-CYBMUJFWSA-N 0 3 310.397 4.138 20 30 DIEDHN CC(C)(NCC#Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001194307323 1049355889 /nfs/dbraw/zinc/35/58/89/1049355889.db2.gz QHNCNKVRZVFCSR-UHFFFAOYSA-N 0 3 301.792 4.356 20 30 DIEDHN N#CC(C(=O)CC(C1CCC1)C1CCC1)c1nc2ccccc2[nH]1 ZINC000860449996 1049387233 /nfs/dbraw/zinc/38/72/33/1049387233.db2.gz KLSGKWLCHRPJPZ-MRXNPFEDSA-N 0 3 321.424 4.346 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)ccc1F ZINC001205198218 1049409564 /nfs/dbraw/zinc/40/95/64/1049409564.db2.gz IGMRNBLVTWNDOY-LJQANCHMSA-N 0 3 324.399 4.049 20 30 DIEDHN CCc1oc2ccccc2c1CN(C)Cc1ccc(C#N)cc1 ZINC000486768784 1049466959 /nfs/dbraw/zinc/46/69/59/1049466959.db2.gz JFXFECCJAGKLTB-UHFFFAOYSA-N 0 3 304.393 4.499 20 30 DIEDHN Cc1cc(CN(C)Cc2ccc(OC(F)F)cc2)ccc1C#N ZINC000486791237 1049471218 /nfs/dbraw/zinc/47/12/18/1049471218.db2.gz MAHOLJVVXBALLZ-UHFFFAOYSA-N 0 3 316.351 4.100 20 30 DIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)cc1 ZINC000486802419 1049479161 /nfs/dbraw/zinc/47/91/61/1049479161.db2.gz ONOCJJLWHWNRQC-FQEVSTJZSA-N 0 3 306.409 4.212 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H](Cc3ccccc3)C2)ccc1F ZINC001205479053 1049481624 /nfs/dbraw/zinc/48/16/24/1049481624.db2.gz QCURCJHDYPUQBD-KRWDZBQOSA-N 0 3 308.400 4.152 20 30 DIEDHN N#CC1(c2ccccc2)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205563765 1049499134 /nfs/dbraw/zinc/49/91/34/1049499134.db2.gz ZHLHOQLVECTOAT-UHFFFAOYSA-N 0 3 315.420 4.225 20 30 DIEDHN C#C[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccc(F)cc1 ZINC001182020951 1049565047 /nfs/dbraw/zinc/56/50/47/1049565047.db2.gz RFVRULFNGJWUSD-DNOPENIRSA-N 0 3 315.338 4.314 20 30 DIEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773977777 1049571737 /nfs/dbraw/zinc/57/17/37/1049571737.db2.gz YJUWUMNZWSXDCD-BXUZGUMPSA-N 0 3 320.820 4.060 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2coc3ccccc23)c1 ZINC000121433837 1049581475 /nfs/dbraw/zinc/58/14/75/1049581475.db2.gz DCDAPKHMPLVZKG-QGZVFWFLSA-N 0 3 320.392 4.404 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933910 1049584592 /nfs/dbraw/zinc/58/45/92/1049584592.db2.gz WKFHSGJFDDFXHK-DZGCQCFKSA-N 0 3 320.358 4.487 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187642 1049618798 /nfs/dbraw/zinc/61/87/98/1049618798.db2.gz GJKKSYOZIASAFI-MOPGFXCFSA-N 0 3 323.396 4.274 20 30 DIEDHN C#C[C@@H](N[C@@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987942 1049619100 /nfs/dbraw/zinc/61/91/00/1049619100.db2.gz BCFRIBYTCZLDRH-HUUCEWRRSA-N 0 3 304.231 4.046 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187657 1049619486 /nfs/dbraw/zinc/61/94/86/1049619486.db2.gz GJKKSYOZIASAFI-RTBURBONSA-N 0 3 323.396 4.274 20 30 DIEDHN C#C[C@@H](N[C@@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987981 1049620370 /nfs/dbraw/zinc/62/03/70/1049620370.db2.gz BXEVXEVRBMHXAD-BLLLJJGKSA-N 0 3 306.247 4.292 20 30 DIEDHN N#Cc1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1F ZINC001182369403 1049636623 /nfs/dbraw/zinc/63/66/23/1049636623.db2.gz MHDOBFLBODFHJU-UHFFFAOYSA-N 0 3 322.305 4.092 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265250 1049639795 /nfs/dbraw/zinc/63/97/95/1049639795.db2.gz JLMRMMVRWHVBDO-VQTJNVASSA-N 0 3 320.392 4.326 20 30 DIEDHN N#Cc1ccc(CN2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001196329060 1049644061 /nfs/dbraw/zinc/64/40/61/1049644061.db2.gz KSCZCXMWMAHXSJ-KRWDZBQOSA-N 0 3 313.401 4.011 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001206094927 1049652001 /nfs/dbraw/zinc/65/20/01/1049652001.db2.gz ZVDRDUHBRRYYNZ-UHFFFAOYSA-N 0 3 324.211 4.152 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000774447458 1049665020 /nfs/dbraw/zinc/66/50/20/1049665020.db2.gz HLRRVXUCHMPZOQ-FQEVSTJZSA-N 0 3 309.384 4.079 20 30 DIEDHN CCCCCCCCCN1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC001196562556 1049673347 /nfs/dbraw/zinc/67/33/47/1049673347.db2.gz BFKLVMVKDKLJIB-HNNXBMFYSA-N 0 3 319.436 4.257 20 30 DIEDHN CC(C)P(CCNC(=O)[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC001182799684 1049712384 /nfs/dbraw/zinc/71/23/84/1049712384.db2.gz KMGFHGNSZAPCAD-HNNXBMFYSA-N 0 3 318.401 4.077 20 30 DIEDHN C[C@@H](Cc1ccc(F)cc1Cl)NCC1(C#N)CCCCC1 ZINC001206694701 1049781371 /nfs/dbraw/zinc/78/13/71/1049781371.db2.gz JTKRVKAXXQJPCD-ZDUSSCGKSA-N 0 3 308.828 4.474 20 30 DIEDHN CC(C)(C)CCOc1cnccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000490428088 1049828286 /nfs/dbraw/zinc/82/82/86/1049828286.db2.gz CMJIESLAYQPOKY-DOTOQJQBSA-N 0 3 315.461 4.069 20 30 DIEDHN N#Cc1ccc2c(c1)CCN(CCCc1cccc(Cl)c1)C2 ZINC001207583681 1049911107 /nfs/dbraw/zinc/91/11/07/1049911107.db2.gz JLHALHNTRSGGFC-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN N#Cc1csc(CNCC2CCC3(CCCCC3)CC2)n1 ZINC001207685249 1049927657 /nfs/dbraw/zinc/92/76/57/1049927657.db2.gz NVHIXDNUHIQSNH-UHFFFAOYSA-N 0 3 303.475 4.245 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000156592376 1049934014 /nfs/dbraw/zinc/93/40/14/1049934014.db2.gz NZEAUYVVVRWGQJ-APWZRJJASA-N 0 3 324.424 4.314 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)sc2C)c1 ZINC000760675538 1049957690 /nfs/dbraw/zinc/95/76/90/1049957690.db2.gz RYWOAXXIDYOJEJ-KRWDZBQOSA-N 0 3 314.454 4.336 20 30 DIEDHN CCCCS[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456864 1050006454 /nfs/dbraw/zinc/00/64/54/1050006454.db2.gz KBEZWWILNSOIEY-NEPJUHHUSA-N 0 3 310.488 4.365 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NC1(c3ccc(F)cc3)CCC1)CC2 ZINC000589342972 1050028214 /nfs/dbraw/zinc/02/82/14/1050028214.db2.gz YAUDUOUWGOOQRM-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN N#CCCN(CCCCOCc1ccccc1)C1CCCC1 ZINC001209259368 1050048092 /nfs/dbraw/zinc/04/80/92/1050048092.db2.gz VDQZRHVHJVSBTN-UHFFFAOYSA-N 0 3 300.446 4.142 20 30 DIEDHN C=CCCCCCCN1CCN(CCc2cccs2)CC1 ZINC001209436443 1050059404 /nfs/dbraw/zinc/05/94/04/1050059404.db2.gz RJCHUEXXQFQWHV-UHFFFAOYSA-N 0 3 306.519 4.045 20 30 DIEDHN N#CCCCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000057626609 1050103738 /nfs/dbraw/zinc/10/37/38/1050103738.db2.gz AHQNVSQKWJCYPU-INIZCTEOSA-N 0 3 302.468 4.451 20 30 DIEDHN CC(C)c1ccc(OC2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000591011264 1050118957 /nfs/dbraw/zinc/11/89/57/1050118957.db2.gz DOQBYCJXSMMCNK-INIZCTEOSA-N 0 3 300.446 4.345 20 30 DIEDHN C=CCOCCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000348047328 1050174604 /nfs/dbraw/zinc/17/46/04/1050174604.db2.gz KANBDYFYKHUKGQ-CQSZACIVSA-N 0 3 302.443 4.053 20 30 DIEDHN C=CCOCCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000348047327 1050174912 /nfs/dbraw/zinc/17/49/12/1050174912.db2.gz KANBDYFYKHUKGQ-AWEZNQCLSA-N 0 3 302.443 4.053 20 30 DIEDHN C=C(C)CCNCc1nc2ccc(Br)cc2s1 ZINC000824743961 1050244648 /nfs/dbraw/zinc/24/46/48/1050244648.db2.gz SXGGJCXFQDBABV-UHFFFAOYSA-N 0 3 311.248 4.115 20 30 DIEDHN Cc1cccc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000771462992 1050252546 /nfs/dbraw/zinc/25/25/46/1050252546.db2.gz IKEUHEZALTZYQO-UHFFFAOYSA-N 0 3 318.420 4.187 20 30 DIEDHN C=CCCN(Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC001136964236 1050257272 /nfs/dbraw/zinc/25/72/72/1050257272.db2.gz DLBLHLKYGLYGGJ-UHFFFAOYSA-N 0 3 305.425 4.221 20 30 DIEDHN N#Cc1cnccc1CN(CCc1ccc(F)cc1)C1CCCC1 ZINC000592068129 1050268246 /nfs/dbraw/zinc/26/82/46/1050268246.db2.gz IQTYONQWYLYUCM-UHFFFAOYSA-N 0 3 323.415 4.080 20 30 DIEDHN C#CCN(Cc1c[nH]c2cccc(F)c12)[C@@H]1CCc2ccccc21 ZINC001136985462 1050273696 /nfs/dbraw/zinc/27/36/96/1050273696.db2.gz HTRBRCSZDSCXNY-HXUWFJFHSA-N 0 3 318.395 4.430 20 30 DIEDHN C=CC[C@H](C)NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000735086661 1050346620 /nfs/dbraw/zinc/34/66/20/1050346620.db2.gz QTSOSBWPAPCCLJ-LBPRGKRZSA-N 0 3 321.827 4.087 20 30 DIEDHN CCn1cc(CN(Cc2ccc(C(C)(C)C#N)cc2)C(C)C)cn1 ZINC000593078695 1050381886 /nfs/dbraw/zinc/38/18/86/1050381886.db2.gz CBFBUUSEGHASPI-UHFFFAOYSA-N 0 3 324.472 4.115 20 30 DIEDHN COc1cccc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)oc21 ZINC000785617832 1050399420 /nfs/dbraw/zinc/39/94/20/1050399420.db2.gz WASYZOCFHWMVNF-GOSISDBHSA-N 0 3 318.376 4.090 20 30 DIEDHN N#CCCC[C@H](NCc1cc2cnccc2o1)c1ccccc1 ZINC000593628533 1050430124 /nfs/dbraw/zinc/43/01/24/1050430124.db2.gz ADORSSZTDGATBF-SFHVURJKSA-N 0 3 305.381 4.353 20 30 DIEDHN C[C@H](c1cccc2ccccc21)N(C)Cc1cncc(C#N)c1 ZINC001144084882 1050463063 /nfs/dbraw/zinc/46/30/63/1050463063.db2.gz RBLAFCRWNAAEGQ-OAHLLOKOSA-N 0 3 301.393 4.299 20 30 DIEDHN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](N)CCCCC#N ZINC000594425026 1050516449 /nfs/dbraw/zinc/51/64/49/1050516449.db2.gz IZVJSYFXZWYCQY-QGZVFWFLSA-N 0 3 315.461 4.283 20 30 DIEDHN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594425025 1050516867 /nfs/dbraw/zinc/51/68/67/1050516867.db2.gz IZVJSYFXZWYCQY-KRWDZBQOSA-N 0 3 315.461 4.283 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000594495888 1050518762 /nfs/dbraw/zinc/51/87/62/1050518762.db2.gz DWDFOPSFOQSSHJ-LJQANCHMSA-N 0 3 308.400 4.404 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc(C#N)c1 ZINC000594516866 1050525037 /nfs/dbraw/zinc/52/50/37/1050525037.db2.gz GRTXZBDTTNFDAV-OAHLLOKOSA-N 0 3 301.393 4.160 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)cc1 ZINC000594516061 1050525210 /nfs/dbraw/zinc/52/52/10/1050525210.db2.gz ANBBDPABEBUGAO-HNNXBMFYSA-N 0 3 301.393 4.160 20 30 DIEDHN COc1ccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594515612 1050526581 /nfs/dbraw/zinc/52/65/81/1050526581.db2.gz OOMSIVLZMBDIRI-OAHLLOKOSA-N 0 3 306.409 4.297 20 30 DIEDHN N#Cc1ccc(C2(NCc3coc4ccccc34)CCC2)cc1 ZINC000594519921 1050528932 /nfs/dbraw/zinc/52/89/32/1050528932.db2.gz MQLISXRMJXHLSO-UHFFFAOYSA-N 0 3 302.377 4.473 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CCCC2)CC1 ZINC000738343889 1050537089 /nfs/dbraw/zinc/53/70/89/1050537089.db2.gz RJFVXUIIPDADNM-UHFFFAOYSA-N 0 3 318.848 4.399 20 30 DIEDHN CCOc1cccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034829 1050542551 /nfs/dbraw/zinc/54/25/51/1050542551.db2.gz UEIARZIAIVDSPQ-VLIAUNLRSA-N 0 3 306.409 4.295 20 30 DIEDHN CCOc1cccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034832 1050543880 /nfs/dbraw/zinc/54/38/80/1050543880.db2.gz UEIARZIAIVDSPQ-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594923660 1050562407 /nfs/dbraw/zinc/56/24/07/1050562407.db2.gz IZXYYGJXHBMBOG-HNNXBMFYSA-N 0 3 306.409 4.101 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H]3CSCc4ccccc43)cc2)CC1 ZINC000594919432 1050562772 /nfs/dbraw/zinc/56/27/72/1050562772.db2.gz ZVHPNJQCVPBPIG-LJQANCHMSA-N 0 3 320.461 4.319 20 30 DIEDHN N#CC1(c2ccc(CN[C@H]3CSCc4ccccc43)cc2)CC1 ZINC000594919431 1050564330 /nfs/dbraw/zinc/56/43/30/1050564330.db2.gz ZVHPNJQCVPBPIG-IBGZPJMESA-N 0 3 320.461 4.319 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594926632 1050566298 /nfs/dbraw/zinc/56/62/98/1050566298.db2.gz RSHXGTPCNLKCCE-IBGZPJMESA-N 0 3 319.452 4.432 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000594926211 1050566702 /nfs/dbraw/zinc/56/67/02/1050566702.db2.gz NNNFHTUJRJBXFN-LJQANCHMSA-N 0 3 318.420 4.245 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC001211434878 1050567179 /nfs/dbraw/zinc/56/71/79/1050567179.db2.gz LSWDZUPOAYYDLH-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN Cc1ccc(Cl)c(CN[C@H](C)Cc2cccc(C#N)c2)c1F ZINC001171178226 1050569844 /nfs/dbraw/zinc/56/98/44/1050569844.db2.gz DPUAQYHJTRCDIS-CYBMUJFWSA-N 0 3 316.807 4.380 20 30 DIEDHN CC(C)Oc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594970539 1050572281 /nfs/dbraw/zinc/57/22/81/1050572281.db2.gz WZWGEKFNKLEPIV-UHFFFAOYSA-N 0 3 308.425 4.370 20 30 DIEDHN C=CCOc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594970083 1050573276 /nfs/dbraw/zinc/57/32/76/1050573276.db2.gz YNSOAOOZHACXKA-UHFFFAOYSA-N 0 3 306.409 4.148 20 30 DIEDHN N#CC(C(=O)CCCc1ccc2c(c1)CCCC2)c1ccccn1 ZINC000845441774 1050578885 /nfs/dbraw/zinc/57/88/85/1050578885.db2.gz UBOXZWYQUKZRFH-LJQANCHMSA-N 0 3 318.420 4.160 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccc2ccccc2n1 ZINC000845437996 1050579325 /nfs/dbraw/zinc/57/93/25/1050579325.db2.gz IXZTWAAFZZZNDG-BBWFWOEESA-N 0 3 304.393 4.237 20 30 DIEDHN C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)c2ccccc2O1 ZINC000594956962 1050581958 /nfs/dbraw/zinc/58/19/58/1050581958.db2.gz LZAGJFJHFNGZOV-DNVCBOLYSA-N 0 3 318.420 4.244 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1sc2nc(C)nc(C)c2c1C ZINC000787308579 1050589653 /nfs/dbraw/zinc/58/96/53/1050589653.db2.gz DDEMRDZSFURYAA-CQSZACIVSA-N 0 3 301.459 4.157 20 30 DIEDHN N#Cc1ccc(-c2cccc(CNCc3cccc(O)c3)c2)s1 ZINC000740012110 1050598266 /nfs/dbraw/zinc/59/82/66/1050598266.db2.gz WODJLJGQDWQTAQ-UHFFFAOYSA-N 0 3 320.417 4.282 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](C)c1c(F)cccc1F ZINC001171192409 1050601319 /nfs/dbraw/zinc/60/13/19/1050601319.db2.gz MYDWESHVZVJOLD-STQMWFEESA-N 0 3 300.352 4.118 20 30 DIEDHN C[C@H](O)[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103952 1050607240 /nfs/dbraw/zinc/60/72/40/1050607240.db2.gz PKUKXRHPJNWSFD-JHVJFLLYSA-N 0 3 320.436 4.037 20 30 DIEDHN N#CC1(CNCc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000846011375 1050645386 /nfs/dbraw/zinc/64/53/86/1050645386.db2.gz STGHOIQPAXMGOH-UHFFFAOYSA-N 0 3 306.409 4.233 20 30 DIEDHN C[C@@H](c1ccc(CN2CCC[C@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623975 1050652986 /nfs/dbraw/zinc/65/29/86/1050652986.db2.gz ZUTGHANFRBJMLZ-UONOGXRCSA-N 0 3 310.363 4.478 20 30 DIEDHN C=CCCC[C@H](C)N[C@H](C)c1nc(Br)ccc1F ZINC000788694011 1050726860 /nfs/dbraw/zinc/72/68/60/1050726860.db2.gz TWTJQTPJQBZYLT-WDEREUQCSA-N 0 3 315.230 4.379 20 30 DIEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793861 1050742364 /nfs/dbraw/zinc/74/23/64/1050742364.db2.gz BZCHSADIFURZIQ-ZIAGYGMSSA-N 0 3 306.837 4.253 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1C ZINC000596993464 1050797828 /nfs/dbraw/zinc/79/78/28/1050797828.db2.gz PYNQIQVSZYNOSB-UHFFFAOYSA-N 0 3 320.436 4.191 20 30 DIEDHN Cn1cccc1[C@H]1CCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027404 1050798294 /nfs/dbraw/zinc/79/82/94/1050798294.db2.gz VGSZMHYVMNYDEO-HXUWFJFHSA-N 0 3 319.452 4.307 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000772960264 1050807826 /nfs/dbraw/zinc/80/78/26/1050807826.db2.gz OUBIRWHTKKGTAN-VLIAUNLRSA-N 0 3 309.384 4.176 20 30 DIEDHN CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469669 1050816054 /nfs/dbraw/zinc/81/60/54/1050816054.db2.gz HCAVTYFMGFEYQW-HNNXBMFYSA-N 0 3 323.396 4.358 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)cc1 ZINC000742379660 1050840228 /nfs/dbraw/zinc/84/02/28/1050840228.db2.gz ZUWFXLQQYGWWME-INIZCTEOSA-N 0 3 311.400 4.305 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000772987953 1050928143 /nfs/dbraw/zinc/92/81/43/1050928143.db2.gz NDNAFFOUTRWALK-HXUWFJFHSA-N 0 3 322.452 4.006 20 30 DIEDHN CC(C)P(CCNC(=O)c1cccc([C@@H](C)C#N)c1)C(C)C ZINC001148628870 1050962673 /nfs/dbraw/zinc/96/26/73/1050962673.db2.gz JGYMORVXEBJACZ-HNNXBMFYSA-N 0 3 318.401 4.342 20 30 DIEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)c(Cl)c1 ZINC000790773400 1050995102 /nfs/dbraw/zinc/99/51/02/1050995102.db2.gz OQVTZYIYGJUQGL-CYBMUJFWSA-N 0 3 324.767 4.209 20 30 DIEDHN C=CC[C@H](NCc1ccc(OCC2CC2)cc1)c1ccncc1 ZINC000790964838 1051011499 /nfs/dbraw/zinc/01/14/99/1051011499.db2.gz NVQCBFZAEMGNBW-FQEVSTJZSA-N 0 3 308.425 4.277 20 30 DIEDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000743495946 1051039396 /nfs/dbraw/zinc/03/93/96/1051039396.db2.gz JZDDXKLJRBSODT-KRWDZBQOSA-N 0 3 319.452 4.399 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cc(C)c(C)cc2C)cc1C#N ZINC000773073452 1051051936 /nfs/dbraw/zinc/05/19/36/1051051936.db2.gz DBDPHCHEIAPCPN-MRXNPFEDSA-N 0 3 308.425 4.343 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106091 1051062320 /nfs/dbraw/zinc/06/23/20/1051062320.db2.gz JZYVZCFWYABEKX-NHCUHLMSSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@H](N[C@@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108547 1051064646 /nfs/dbraw/zinc/06/46/46/1051064646.db2.gz ZSOBNPGMBSCSOC-PMACEKPBSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@H](N[C@@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773117908 1051067104 /nfs/dbraw/zinc/06/71/04/1051067104.db2.gz YICULNZKTDLCMW-OALUTQOASA-N 0 3 321.420 4.263 20 30 DIEDHN C#CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117762 1051067359 /nfs/dbraw/zinc/06/73/59/1051067359.db2.gz WHEBOHYHMRNZCC-OALUTQOASA-N 0 3 308.381 4.400 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118382 1051070113 /nfs/dbraw/zinc/07/01/13/1051070113.db2.gz ZDQQRGMIDUUBFS-UWJYYQICSA-N 0 3 315.420 4.288 20 30 DIEDHN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743858150 1051078687 /nfs/dbraw/zinc/07/86/87/1051078687.db2.gz YQSWNFNTUUTSCQ-YWZLYKJASA-N 0 3 324.399 4.311 20 30 DIEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000744029164 1051093690 /nfs/dbraw/zinc/09/36/90/1051093690.db2.gz PMXYKFNFVUQDNH-WBVHZDCISA-N 0 3 314.429 4.249 20 30 DIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000744016096 1051095594 /nfs/dbraw/zinc/09/55/94/1051095594.db2.gz JHHYEUPVLAQWCW-NWDGAFQWSA-N 0 3 310.378 4.178 20 30 DIEDHN N#CC(C(=O)CCc1ccsc1)c1nccc2ccccc21 ZINC000792107528 1051116462 /nfs/dbraw/zinc/11/64/62/1051116462.db2.gz WDAPEOQXDORQGC-MRXNPFEDSA-N 0 3 306.390 4.105 20 30 DIEDHN C[C@@H](NCc1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000037243101 1051131122 /nfs/dbraw/zinc/13/11/22/1051131122.db2.gz MGHZJAMMEGAZHV-CYBMUJFWSA-N 0 3 300.789 4.093 20 30 DIEDHN C#CCN(Cc1cc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000744213936 1051132439 /nfs/dbraw/zinc/13/24/39/1051132439.db2.gz WIPJAXKELOAHQV-UHFFFAOYSA-N 0 3 312.388 4.249 20 30 DIEDHN N#CC1(c2ccccc2)CCC(Nc2cccc(F)c2CN)CC1 ZINC001170359574 1051188939 /nfs/dbraw/zinc/18/89/39/1051188939.db2.gz BSKOKQHNQGWXNG-UHFFFAOYSA-N 0 3 323.415 4.100 20 30 DIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCCC1 ZINC001171958370 1051243319 /nfs/dbraw/zinc/24/33/19/1051243319.db2.gz WHKNQMSMSJUDMU-CYBMUJFWSA-N 0 3 310.363 4.310 20 30 DIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC1(CC#N)CCCC1 ZINC001171968608 1051245528 /nfs/dbraw/zinc/24/55/28/1051245528.db2.gz HMJQRNZGIKYBLD-CYBMUJFWSA-N 0 3 310.363 4.452 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308091 1051277638 /nfs/dbraw/zinc/27/76/38/1051277638.db2.gz FJSOCROYCWPQSP-JLTOFOAXSA-N 0 3 324.399 4.284 20 30 DIEDHN Cc1cnc(Nc2ccc(CN3CCCCC3)c(F)c2)c(C#N)c1 ZINC001215711862 1051318592 /nfs/dbraw/zinc/31/85/92/1051318592.db2.gz YYOARMOOZKMQBG-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2cccc(Cl)c2C1 ZINC001172309798 1051335710 /nfs/dbraw/zinc/33/57/10/1051335710.db2.gz CAGUTABPSOOVCW-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)ccc(Cl)c1F ZINC001172289756 1051347671 /nfs/dbraw/zinc/34/76/71/1051347671.db2.gz HMLGIRSULLHHQK-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN CCCCCCCC[C@H](CC)N1CCN(CC(F)F)CC1 ZINC001172502183 1051422086 /nfs/dbraw/zinc/42/20/86/1051422086.db2.gz OROFKSROEYMJJI-INIZCTEOSA-N 0 3 304.469 4.398 20 30 DIEDHN CCCCCCCC[C@H](CC)N1CCC(S(C)(=O)=O)CC1 ZINC001172505914 1051425346 /nfs/dbraw/zinc/42/53/46/1051425346.db2.gz XDPLQCCXQXZWCH-INIZCTEOSA-N 0 3 317.539 4.025 20 30 DIEDHN CC(C)[C@H](C#N)N1CCN([C@@H](C)c2cccc3ccccc32)CC1 ZINC001168873705 1051461333 /nfs/dbraw/zinc/46/13/33/1051461333.db2.gz RMOCYJDBXJTJSU-UWJYYQICSA-N 0 3 321.468 4.067 20 30 DIEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578795 1051463225 /nfs/dbraw/zinc/46/32/25/1051463225.db2.gz ROZUNVKUXZSURA-JQWIXIFHSA-N 0 3 300.780 4.221 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1c1ccccc1 ZINC001168957870 1051478938 /nfs/dbraw/zinc/47/89/38/1051478938.db2.gz JPJSNBBMLMOWLK-IBGZPJMESA-N 0 3 306.409 4.294 20 30 DIEDHN CC(C)C[C@H](Cc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001169060466 1051501878 /nfs/dbraw/zinc/50/18/78/1051501878.db2.gz XPWBJJVKTRMNHO-MRXNPFEDSA-N 0 3 315.848 4.098 20 30 DIEDHN C[C@H](Cc1c(F)cccc1Cl)NCC#Cc1ccccc1 ZINC001172851434 1051537388 /nfs/dbraw/zinc/53/73/88/1051537388.db2.gz JEWABDHAEJXTCJ-CQSZACIVSA-N 0 3 301.792 4.051 20 30 DIEDHN C[C@H](Cc1ccc(F)cc1Cl)N1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172870481 1051553924 /nfs/dbraw/zinc/55/39/24/1051553924.db2.gz ZGWQNEKIXSVKQB-BHTHQVBYSA-N 0 3 306.812 4.177 20 30 DIEDHN C[C@H](CSc1ccc(Cl)cc1)NCC#Cc1ccccc1 ZINC001172883798 1051566520 /nfs/dbraw/zinc/56/65/20/1051566520.db2.gz UOPJRHXLGVTVIM-OAHLLOKOSA-N 0 3 315.869 4.462 20 30 DIEDHN C=CCN1CCC[C@H]1c1ccc(NC=CC(=O)C(F)(F)F)cc1 ZINC001169480214 1051622717 /nfs/dbraw/zinc/62/27/17/1051622717.db2.gz ALFRDLNHRURUOJ-FEAKQIBJSA-N 0 3 324.346 4.067 20 30 DIEDHN C=CCOC1CCC(N2CCc3cccc(Cl)c3C2)CC1 ZINC001173326927 1051694407 /nfs/dbraw/zinc/69/44/07/1051694407.db2.gz VUQBPQJPPFGMQI-UHFFFAOYSA-N 0 3 305.849 4.212 20 30 DIEDHN C=CCOC1CCC(N2CCc3cc(Cl)ccc3C2)CC1 ZINC001173326539 1051694829 /nfs/dbraw/zinc/69/48/29/1051694829.db2.gz JPHQQTYCPOXXQH-UHFFFAOYSA-N 0 3 305.849 4.212 20 30 DIEDHN N#CCC1CCC(N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173331002 1051697118 /nfs/dbraw/zinc/69/71/18/1051697118.db2.gz JIEZIYAOASVEAN-XTXLOEGASA-N 0 3 319.452 4.366 20 30 DIEDHN N#CCC1CCC(n2c3ccccc3nc2[C@H]2CCCCN2)CC1 ZINC001173337718 1051699521 /nfs/dbraw/zinc/69/95/21/1051699521.db2.gz SBMJLRVEEJXVQP-LEOMRAHMSA-N 0 3 322.456 4.496 20 30 DIEDHN N=C(N[C@H]1CCCC2(CCCCC2)C1)c1ccc(Cl)cn1 ZINC001173347486 1051706077 /nfs/dbraw/zinc/70/60/77/1051706077.db2.gz DKXPMRXCTMGQMW-AWEZNQCLSA-N 0 3 305.853 4.333 20 30 DIEDHN C=CC[C@H]1N(Cc2cc(C(=O)OC)ccc2F)CCCC1(C)C ZINC001169844142 1051711739 /nfs/dbraw/zinc/71/17/39/1051711739.db2.gz KUXRAGRIDLZWOE-QGZVFWFLSA-N 0 3 319.420 4.179 20 30 DIEDHN C#CCCCN1CCC[C@H]1c1cc(Br)ccc1OC ZINC000766895152 1051739079 /nfs/dbraw/zinc/73/90/79/1051739079.db2.gz JOHZRAOEADNCHL-HNNXBMFYSA-N 0 3 322.246 4.008 20 30 DIEDHN C#CCCCN1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000766903349 1051741470 /nfs/dbraw/zinc/74/14/70/1051741470.db2.gz CWAVCAQYSGVBPJ-OAHLLOKOSA-N 0 3 307.869 4.051 20 30 DIEDHN CC1(C#N)CCC(NCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173590808 1051755111 /nfs/dbraw/zinc/75/51/11/1051755111.db2.gz COLHXBGRPZKAMM-UHFFFAOYSA-N 0 3 313.376 4.043 20 30 DIEDHN CC1(C#N)CCC(N2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173599384 1051757650 /nfs/dbraw/zinc/75/76/50/1051757650.db2.gz KSCDYKZWDPEKJR-LXPRWKDFSA-N 0 3 318.461 4.388 20 30 DIEDHN C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(cc1[O-])CCCC2 ZINC000806178801 1051772690 /nfs/dbraw/zinc/77/26/90/1051772690.db2.gz ZRDVBSZGKKPGGR-CQSZACIVSA-N 0 3 300.446 4.252 20 30 DIEDHN C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(cc1[O-])CCCC2 ZINC000806178800 1051773013 /nfs/dbraw/zinc/77/30/13/1051773013.db2.gz ZRDVBSZGKKPGGR-AWEZNQCLSA-N 0 3 300.446 4.252 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609194892 1051882923 /nfs/dbraw/zinc/88/29/23/1051882923.db2.gz PHYWSUBPOJNRAJ-UHFFFAOYSA-N 0 3 312.363 4.216 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531453 1051975903 /nfs/dbraw/zinc/97/59/03/1051975903.db2.gz DZACMPIQSXCRNZ-AVGNSLFASA-N 0 3 303.381 4.127 20 30 DIEDHN C=CCOc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000191664468 1051981964 /nfs/dbraw/zinc/98/19/64/1051981964.db2.gz PJVUFHVABIGQDD-LJQANCHMSA-N 0 3 309.409 4.124 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769106645 1051996642 /nfs/dbraw/zinc/99/66/42/1051996642.db2.gz VTVMJKDYVRULHW-QRWLVFNGSA-N 0 3 322.408 4.020 20 30 DIEDHN CC(C)(CCC#N)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000808430725 1052030763 /nfs/dbraw/zinc/03/07/63/1052030763.db2.gz YJLGQNLIZPVJHT-UHFFFAOYSA-N 0 3 308.425 4.479 20 30 DIEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808691603 1052061211 /nfs/dbraw/zinc/06/12/11/1052061211.db2.gz JKOYZKKHJUUZDE-AWEZNQCLSA-N 0 3 322.880 4.045 20 30 DIEDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c1[O-] ZINC000808675781 1052067773 /nfs/dbraw/zinc/06/77/73/1052067773.db2.gz SHHQPABLQFZZGP-LBPRGKRZSA-N 0 3 300.789 4.077 20 30 DIEDHN C[C@H](NCc1ccc2c(c1)COC(C)(C)O2)c1cccc(C#N)c1 ZINC000769519164 1052074070 /nfs/dbraw/zinc/07/40/70/1052074070.db2.gz IIZYXJPOJFXXBZ-AWEZNQCLSA-N 0 3 322.408 4.054 20 30 DIEDHN CCCCCCC[C@@H](C)C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710648 1052254709 /nfs/dbraw/zinc/25/47/09/1052254709.db2.gz GTWIRKYRPIOETC-KGLIPLIRSA-N 0 3 307.438 4.034 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1c(CC)cccc1CC ZINC001218947118 1052264135 /nfs/dbraw/zinc/26/41/35/1052264135.db2.gz ASDZEOZELGNAAY-KRWDZBQOSA-N 0 3 302.462 4.214 20 30 DIEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814052 1052284398 /nfs/dbraw/zinc/28/43/98/1052284398.db2.gz HALRFQWGZVNJNR-BLLLJJGKSA-N 0 3 321.262 4.331 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000153503836 1052363136 /nfs/dbraw/zinc/36/31/36/1052363136.db2.gz NIVJBNSSYYOLOG-MGPUTAFESA-N 0 3 324.399 4.454 20 30 DIEDHN COc1ccc(C(C)=NNc2ccccc2)cc1CN1CCCC1 ZINC000916247348 1052598886 /nfs/dbraw/zinc/59/88/86/1052598886.db2.gz RBFLWFFGKSZOCB-UHFFFAOYSA-N 0 3 323.440 4.127 20 30 DIEDHN COc1ccccc1-c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123728625 1052633923 /nfs/dbraw/zinc/63/39/23/1052633923.db2.gz PHWANLVWLZCVKF-UHFFFAOYSA-N 0 3 306.409 4.098 20 30 DIEDHN CCC(CC)(NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000929954317 1052667072 /nfs/dbraw/zinc/66/70/72/1052667072.db2.gz XOOCMFAKZKUQOX-UHFFFAOYSA-N 0 3 313.832 4.412 20 30 DIEDHN CCCCCCCCCC[C@@H](C)OCCN1CCN(C)CC1 ZINC001224550489 1052706814 /nfs/dbraw/zinc/70/68/14/1052706814.db2.gz VWTNRBODIKZZIB-LJQANCHMSA-N 0 3 312.542 4.170 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cccc(O)c2)cc1 ZINC000154461627 1052744185 /nfs/dbraw/zinc/74/41/85/1052744185.db2.gz MAHGBEKCZKIVCC-CQSZACIVSA-N 0 3 317.816 4.374 20 30 DIEDHN C=C[C@@H](CC)OC[C@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001225152598 1052750667 /nfs/dbraw/zinc/75/06/67/1052750667.db2.gz WXCLQBUCYNFNHF-ICSRJNTNSA-N 0 3 317.473 4.037 20 30 DIEDHN COc1cc(CNC(C)(C)c2ccc(Cl)cc2)ccc1C#N ZINC000556410045 1052849031 /nfs/dbraw/zinc/84/90/31/1052849031.db2.gz KOZQJVQUUJWABR-UHFFFAOYSA-N 0 3 314.816 4.245 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000919762322 1052887841 /nfs/dbraw/zinc/88/78/41/1052887841.db2.gz IKJDBOPPCUOYTE-HKUYNNGSSA-N 0 3 316.489 4.299 20 30 DIEDHN C[C@H](NCc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000195322548 1052936205 /nfs/dbraw/zinc/93/62/05/1052936205.db2.gz XHERBNHHCWBJCK-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN Cc1cccc(OC(C(=O)c2ccco2)c2ccco2)c1C#N ZINC001226920316 1052944934 /nfs/dbraw/zinc/94/49/34/1052944934.db2.gz OHPVHNAUYPZEAQ-GOSISDBHSA-N 0 3 307.305 4.056 20 30 DIEDHN C[C@H](Cc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000921130825 1052962639 /nfs/dbraw/zinc/96/26/39/1052962639.db2.gz CZIGIKDIEQEYSM-IUODEOHRSA-N 0 3 322.339 4.022 20 30 DIEDHN O=C1C=C[C@@H](Oc2ccc3ccccc3c2CN2CCCCC2)C1 ZINC001227277247 1052978647 /nfs/dbraw/zinc/97/86/47/1052978647.db2.gz QTXGEMYHQXWHRO-GOSISDBHSA-N 0 3 321.420 4.102 20 30 DIEDHN CCc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000609766314 1052992316 /nfs/dbraw/zinc/99/23/16/1052992316.db2.gz MBTUJGSSVREVSS-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1F ZINC000609916567 1052999279 /nfs/dbraw/zinc/99/92/79/1052999279.db2.gz XWSCKIZRIKOGBQ-DYVFJYSZSA-N 0 3 312.363 4.214 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649501 1053024830 /nfs/dbraw/zinc/02/48/30/1053024830.db2.gz SXOOMAJPOFBGLL-ACJLOTCBSA-N 0 3 324.449 4.455 20 30 DIEDHN C=CCc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC001227921839 1053029321 /nfs/dbraw/zinc/02/93/21/1053029321.db2.gz CBOYCKIJMGCRAD-LJQANCHMSA-N 0 3 323.436 4.077 20 30 DIEDHN Cc1nc2ccc(CN[C@H](C)c3cccc(C#N)c3)cc2s1 ZINC000617263860 1053119553 /nfs/dbraw/zinc/11/95/53/1053119553.db2.gz HCTNRQBWJJAOFH-GFCCVEGCSA-N 0 3 307.422 4.327 20 30 DIEDHN C=CCC(C)(C)CNCc1nc2cc(Br)ccc2o1 ZINC001560484607 1053146383 /nfs/dbraw/zinc/14/63/83/1053146383.db2.gz ABGWMBLVAZKYQG-UHFFFAOYSA-N 0 3 323.234 4.282 20 30 DIEDHN CCN(Cc1ccc(F)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001319800462 1053275307 /nfs/dbraw/zinc/27/53/07/1053275307.db2.gz HKVRBFYKAMBBRL-AWEZNQCLSA-N 0 3 312.388 4.289 20 30 DIEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(C#N)cc1F ZINC001320126280 1053308672 /nfs/dbraw/zinc/30/86/72/1053308672.db2.gz XWCQUXGBFRPRIE-BLLLJJGKSA-N 0 3 310.372 4.050 20 30 DIEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000181944750 1053317127 /nfs/dbraw/zinc/31/71/27/1053317127.db2.gz NJOJFNWWUPDIIN-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(OC)c1 ZINC001320480024 1053337162 /nfs/dbraw/zinc/33/71/62/1053337162.db2.gz JLQOLLCFTDBWGQ-UHFFFAOYSA-N 0 3 312.388 4.118 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCc3ccc(F)cc32)C1 ZINC001320548635 1053343779 /nfs/dbraw/zinc/34/37/79/1053343779.db2.gz GSXNICVSROSFCU-SYYJFZTOSA-N 0 3 306.384 4.027 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591034 1053348699 /nfs/dbraw/zinc/34/86/99/1053348699.db2.gz BAOVCUVHKSBONF-NHYWBVRUSA-N 0 3 320.433 4.109 20 30 DIEDHN CC(C)Oc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320688926 1053355195 /nfs/dbraw/zinc/35/51/95/1053355195.db2.gz UPCQBYHATFSSSY-UHFFFAOYSA-N 0 3 320.436 4.187 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCCOc3ccccc32)C1 ZINC001320689549 1053356425 /nfs/dbraw/zinc/35/64/25/1053356425.db2.gz DMQMBHRZXZCPIW-MOMVYJMYSA-N 0 3 318.420 4.114 20 30 DIEDHN CCCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742692 1053357362 /nfs/dbraw/zinc/35/73/62/1053357362.db2.gz PNBZFHWFNWUJSC-FQEVSTJZSA-N 0 3 306.409 4.124 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001320835723 1053365407 /nfs/dbraw/zinc/36/54/07/1053365407.db2.gz BLNZXCKSGASHGF-CYBMUJFWSA-N 0 3 319.351 4.002 20 30 DIEDHN CSCc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320868445 1053369506 /nfs/dbraw/zinc/36/95/06/1053369506.db2.gz DSUPUHLIPQADEI-UHFFFAOYSA-N 0 3 322.477 4.263 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804776 1053370168 /nfs/dbraw/zinc/37/01/68/1053370168.db2.gz MJYGTWGCXZGIFP-JLTOFOAXSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808083 1053373033 /nfs/dbraw/zinc/37/30/33/1053373033.db2.gz YVNZYVJWVLEXFE-YJYMSZOUSA-N 0 3 323.415 4.101 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295508 1053407440 /nfs/dbraw/zinc/40/74/40/1053407440.db2.gz ADFKWFKYUJUUDJ-GMXVVIOVSA-N 0 3 312.335 4.160 20 30 DIEDHN CC(C)(C)Oc1cccc(CNCc2cccc(OCC#N)c2)c1 ZINC001352826875 1053414406 /nfs/dbraw/zinc/41/44/06/1053414406.db2.gz WTZZTNXKKKSYRK-UHFFFAOYSA-N 0 3 324.424 4.056 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCc3cc(F)ccc32)C1 ZINC001321622837 1053423948 /nfs/dbraw/zinc/42/39/48/1053423948.db2.gz NNDSSNNKGAQQJE-SYYJFZTOSA-N 0 3 306.384 4.027 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001321896081 1053440131 /nfs/dbraw/zinc/44/01/31/1053440131.db2.gz RICFROJCJWBZDW-CABCVRRESA-N 0 3 318.848 4.254 20 30 DIEDHN Cc1ccc(C)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182479951 1053453100 /nfs/dbraw/zinc/45/31/00/1053453100.db2.gz WSOHPLSYHORTEB-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN Cc1ccncc1[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508471 1053496527 /nfs/dbraw/zinc/49/65/27/1053496527.db2.gz YXYICQNRVLQGKJ-QRWLVFNGSA-N 0 3 305.425 4.380 20 30 DIEDHN CCc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182760697 1053509432 /nfs/dbraw/zinc/50/94/32/1053509432.db2.gz HRJPBGRQSVTOBF-UHFFFAOYSA-N 0 3 319.452 4.197 20 30 DIEDHN CC1(C)CCc2ccccc2[C@H](NCc2ccnc(C#N)c2)C1 ZINC000619654609 1053525762 /nfs/dbraw/zinc/52/57/62/1053525762.db2.gz ZXCQIIKIXWRNGH-LJQANCHMSA-N 0 3 305.425 4.147 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000619754905 1053548579 /nfs/dbraw/zinc/54/85/79/1053548579.db2.gz OHWHJJXFKZKSGC-LBPRGKRZSA-N 0 3 312.800 4.093 20 30 DIEDHN Cc1nc2c(s1)[C@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755092 1053548622 /nfs/dbraw/zinc/54/86/22/1053548622.db2.gz SVCQXKSENWEVLK-CQSZACIVSA-N 0 3 317.845 4.144 20 30 DIEDHN N#Cc1ccc(CNCc2ccc3cnccc3c2)cc1Cl ZINC000619748615 1053554368 /nfs/dbraw/zinc/55/43/68/1053554368.db2.gz JWRXVNSNVOICMX-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN N#Cc1ccc(CNCc2ccnc3ccccc23)cc1Cl ZINC000619748668 1053554862 /nfs/dbraw/zinc/55/48/62/1053554862.db2.gz LCHJVYJCXYRCDQ-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN CC(C)CCn1cccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748977 1053556702 /nfs/dbraw/zinc/55/67/02/1053556702.db2.gz ZYXPFIPEJUDGPA-UHFFFAOYSA-N 0 3 315.848 4.349 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021202 1053617715 /nfs/dbraw/zinc/61/77/15/1053617715.db2.gz HEDJYHKYPBVTAC-CJNGLKHVSA-N 0 3 316.470 4.279 20 30 DIEDHN C=CCc1cccc(O[C@H]2CCCN([C@H](C)c3ccccn3)C2)c1 ZINC001231010034 1053649325 /nfs/dbraw/zinc/64/93/25/1053649325.db2.gz NEGAFUOZMAWNCQ-XLIONFOSSA-N 0 3 322.452 4.415 20 30 DIEDHN CCCc1ccc(CN(CCOC)Cc2ccc(C#N)cc2)cc1 ZINC001325861593 1053740215 /nfs/dbraw/zinc/74/02/15/1053740215.db2.gz VTEROVQNELTXBO-UHFFFAOYSA-N 0 3 322.452 4.159 20 30 DIEDHN C=CC[C@H](NCc1ccc(Br)s1)c1ccncc1 ZINC001200563439 1053764594 /nfs/dbraw/zinc/76/45/94/1053764594.db2.gz WWKRWMHPXFMARD-ZDUSSCGKSA-N 0 3 323.259 4.313 20 30 DIEDHN C=CCOc1cccc(CN2CC[C@H](OCc3ccccc3)C2)c1 ZINC001231623673 1053804583 /nfs/dbraw/zinc/80/45/83/1053804583.db2.gz POCMDYIORBDONL-NRFANRHFSA-N 0 3 323.436 4.043 20 30 DIEDHN C=CCCN(Cc1ccc(Br)[nH]1)Cc1ccccc1 ZINC001232687812 1054101510 /nfs/dbraw/zinc/10/15/10/1054101510.db2.gz JTMQETXXRVUJEO-UHFFFAOYSA-N 0 3 319.246 4.356 20 30 DIEDHN C#CCN(Cc1ccc2ncsc2c1)[C@@H]1CCc2ccccc21 ZINC001232741014 1054113873 /nfs/dbraw/zinc/11/38/73/1054113873.db2.gz FIUQJQXSAQHFRY-LJQANCHMSA-N 0 3 318.445 4.419 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)nc1 ZINC000848566785 1054153137 /nfs/dbraw/zinc/15/31/37/1054153137.db2.gz IUBLQKKTXRSFKB-CYBMUJFWSA-N 0 3 311.816 4.337 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)nc1 ZINC000848566786 1054153253 /nfs/dbraw/zinc/15/32/53/1054153253.db2.gz IUBLQKKTXRSFKB-ZDUSSCGKSA-N 0 3 311.816 4.337 20 30 DIEDHN C=CCN(Cc1cnc2cccc(Cl)n12)C1CCCCC1 ZINC001233360418 1054249734 /nfs/dbraw/zinc/24/97/34/1054249734.db2.gz NDLHBUHWLROHDD-UHFFFAOYSA-N 0 3 303.837 4.308 20 30 DIEDHN C=CCN(Cc1cn2ccc(Cl)cc2n1)C1CCCCC1 ZINC001233393089 1054260650 /nfs/dbraw/zinc/26/06/50/1054260650.db2.gz ZXLKILXNZTVASS-UHFFFAOYSA-N 0 3 303.837 4.308 20 30 DIEDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cc(C#N)ccc1F ZINC001339118821 1054323923 /nfs/dbraw/zinc/32/39/23/1054323923.db2.gz SRBHLXKKCAKRMF-WBMJQRKESA-N 0 3 310.372 4.050 20 30 DIEDHN C=CCC[C@H](NC[C@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991354 1054373527 /nfs/dbraw/zinc/37/35/27/1054373527.db2.gz MKNSNKUBWONGGU-WMZOPIPTSA-N 0 3 303.377 4.403 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)CC(C)(C)C ZINC001341723435 1054406117 /nfs/dbraw/zinc/40/61/17/1054406117.db2.gz GRAKEDWKPUFEQS-CYBMUJFWSA-N 0 3 311.429 4.212 20 30 DIEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1-c1ccc(C)s1 ZINC001342356009 1054421335 /nfs/dbraw/zinc/42/13/35/1054421335.db2.gz XAANFVNBHBNGNS-OAHLLOKOSA-N 0 3 314.454 4.346 20 30 DIEDHN N#CC(C(=O)CCCc1ccccc1Cl)c1cccc(F)n1 ZINC001342691547 1054428327 /nfs/dbraw/zinc/42/83/27/1054428327.db2.gz GAHCWPPYLQMRTB-ZDUSSCGKSA-N 0 3 316.763 4.073 20 30 DIEDHN N#CC(C(=O)c1cc(C2CC2)oc1C1CC1)c1cccc(F)n1 ZINC001342880573 1054431353 /nfs/dbraw/zinc/43/13/53/1054431353.db2.gz PQVKBEZNQWPXFF-ZDUSSCGKSA-N 0 3 310.328 4.059 20 30 DIEDHN N#CC(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccc2ccccc2n1 ZINC001343405466 1054445389 /nfs/dbraw/zinc/44/53/89/1054445389.db2.gz RIWJMNHPVAUYDT-YVSFHVDLSA-N 0 3 304.393 4.237 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001443332562 1054447438 /nfs/dbraw/zinc/44/74/38/1054447438.db2.gz IFOPTRSISCVQJD-IEBWSBKVSA-N 0 3 322.537 4.316 20 30 DIEDHN N#CC(C(=O)C[C@@H]1C=CCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369634 1054467063 /nfs/dbraw/zinc/46/70/63/1054467063.db2.gz YLGHEPDQGRHQOZ-NEPJUHHUSA-N 0 3 313.788 4.139 20 30 DIEDHN N#CC(C(=O)C[C@@H]1C=CCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369721 1054467429 /nfs/dbraw/zinc/46/74/29/1054467429.db2.gz YLGHEPDQGRHQOZ-VXGBXAGGSA-N 0 3 313.788 4.139 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C(F)F)cc2)cc1 ZINC000185358733 1054529905 /nfs/dbraw/zinc/52/99/05/1054529905.db2.gz ZEWSSASDTLYDTP-AWEZNQCLSA-N 0 3 315.363 4.487 20 30 DIEDHN C=CCC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001446502038 1054537689 /nfs/dbraw/zinc/53/76/89/1054537689.db2.gz FZFKCMRHKVLTIM-IEBWSBKVSA-N 0 3 314.473 4.075 20 30 DIEDHN CCOc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000073012004 1054611893 /nfs/dbraw/zinc/61/18/93/1054611893.db2.gz BISXEJJHYXUKBG-GOSISDBHSA-N 0 3 324.424 4.056 20 30 DIEDHN CCCCCCCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001450406057 1054648165 /nfs/dbraw/zinc/64/81/65/1054648165.db2.gz FDAVLZUZEQZMTF-QGZVFWFLSA-N 0 3 308.510 4.070 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(C(=O)OC)s1)c1ccccc1 ZINC000180046549 1054728801 /nfs/dbraw/zinc/72/88/01/1054728801.db2.gz ZLLGCWSUCGGJRB-MRXNPFEDSA-N 0 3 315.438 4.332 20 30 DIEDHN Cc1cccc(OC2CCN(Cc3ccccc3CC#N)CC2)c1 ZINC001235524899 1054737258 /nfs/dbraw/zinc/73/72/58/1054737258.db2.gz CBPIAVMRCAOWRP-UHFFFAOYSA-N 0 3 320.436 4.105 20 30 DIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccccc1CC#N ZINC001235522356 1054738484 /nfs/dbraw/zinc/73/84/84/1054738484.db2.gz DMAMKKXGOUMJDW-LJQANCHMSA-N 0 3 306.409 4.098 20 30 DIEDHN N#CCCN(Cc1ccc2c(c1)CCN2)C1CCCCCCC1 ZINC001235663080 1054764021 /nfs/dbraw/zinc/76/40/21/1054764021.db2.gz HZIRNLWVVNGLJG-UHFFFAOYSA-N 0 3 311.473 4.483 20 30 DIEDHN N#Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1F ZINC001235897899 1054837614 /nfs/dbraw/zinc/83/76/14/1054837614.db2.gz UMBWSZQCLHHGTG-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN C=CCC[C@H](NC[C@@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032453 1054862367 /nfs/dbraw/zinc/86/23/67/1054862367.db2.gz MUXIAJZHPCNVTJ-PKOBYXMFSA-N 0 3 315.413 4.273 20 30 DIEDHN C=CC(C)(C)CCN[C@H](C)c1ncc(Br)s1 ZINC000624038268 1054863987 /nfs/dbraw/zinc/86/39/87/1054863987.db2.gz ZPMBHCQAQCDMGW-SECBINFHSA-N 0 3 303.269 4.159 20 30 DIEDHN Cc1cc(C#N)cnc1-c1cccc(CN2CCCCC2)c1F ZINC001236001779 1054889609 /nfs/dbraw/zinc/88/96/09/1054889609.db2.gz CCLUYYGDIJONRE-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)nc(C)c1C#N ZINC001236245794 1055029844 /nfs/dbraw/zinc/02/98/44/1055029844.db2.gz VWIDQYAEEMFITI-UHFFFAOYSA-N 0 3 323.415 4.362 20 30 DIEDHN CC(C)C[NH2+]Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001236448375 1055119481 /nfs/dbraw/zinc/11/94/81/1055119481.db2.gz PFTOYAVQQGMKLK-CIAFOILYSA-N 0 3 300.377 4.046 20 30 DIEDHN CC#Cc1cncc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001236473349 1055133861 /nfs/dbraw/zinc/13/38/61/1055133861.db2.gz DTKAJSNIXLTNOX-YADHBBJMSA-N 0 3 314.432 4.273 20 30 DIEDHN COc1ccc(-c2ccc(C#N)cc2F)cc1CN1CCCCC1 ZINC001236532967 1055164909 /nfs/dbraw/zinc/16/49/09/1055164909.db2.gz KBKHGKXPLUTELF-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN COc1ccc2sc(CN(C)Cc3cccc(C#N)c3)cc2c1 ZINC001236667060 1055220375 /nfs/dbraw/zinc/22/03/75/1055220375.db2.gz HYVMOWUKJFXWNS-UHFFFAOYSA-N 0 3 322.433 4.414 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cccc(OC)c2)cc1 ZINC000765251956 1055344535 /nfs/dbraw/zinc/34/45/35/1055344535.db2.gz PQGAHQHHOOKOFJ-JKSUJKDBSA-N 0 3 309.409 4.119 20 30 DIEDHN C=C(CN[C@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000765418063 1055384608 /nfs/dbraw/zinc/38/46/08/1055384608.db2.gz XVOPVOGBFDUWSN-QGZVFWFLSA-N 0 3 303.409 4.236 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000765426539 1055386555 /nfs/dbraw/zinc/38/65/55/1055386555.db2.gz NCYKMGYESNTFTM-XOBRGWDASA-N 0 3 309.384 4.176 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccnc2c(Cl)cccc12 ZINC001237151859 1055388144 /nfs/dbraw/zinc/38/81/44/1055388144.db2.gz FHGUSBHGNVPYKC-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN C=CCN(CC=C)Cc1ccc2ncc(Br)cc2c1 ZINC001237169152 1055391447 /nfs/dbraw/zinc/39/14/47/1055391447.db2.gz XOWCCLFAANIQES-UHFFFAOYSA-N 0 3 317.230 4.171 20 30 DIEDHN C[C@@H]1c2ccccc2CCN1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464577 1055455454 /nfs/dbraw/zinc/45/54/54/1055455454.db2.gz FKXOOFGTZWQFRU-OAHLLOKOSA-N 0 3 315.420 4.169 20 30 DIEDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001237488120 1055459464 /nfs/dbraw/zinc/45/94/64/1055459464.db2.gz RIGVECOIYOJWQB-UHFFFAOYSA-N 0 3 320.436 4.027 20 30 DIEDHN CN(Cc1cn(C)c2ccc(C#N)cc12)Cc1ccc(Cl)cc1 ZINC001237469847 1055459490 /nfs/dbraw/zinc/45/94/90/1055459490.db2.gz DAGDCJSVEWBBFJ-UHFFFAOYSA-N 0 3 323.827 4.335 20 30 DIEDHN CN(Cc1cn2cc(C#N)ccc2n1)C1CCC(C(C)(C)C)CC1 ZINC001237607764 1055486389 /nfs/dbraw/zinc/48/63/89/1055486389.db2.gz ZDJOVQNQUCBYPI-UHFFFAOYSA-N 0 3 324.472 4.243 20 30 DIEDHN C#CCOc1ccc(CNCc2cccc(OC(C)(C)C)c2)cc1 ZINC001620941937 1055554698 /nfs/dbraw/zinc/55/46/98/1055554698.db2.gz MWLBACBTSFQCCL-UHFFFAOYSA-N 0 3 323.436 4.166 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](CCC)c2ccccn2)cc1 ZINC000765735439 1055571177 /nfs/dbraw/zinc/57/11/77/1055571177.db2.gz MDXLUPRQNKMDME-OXJNMPFZSA-N 0 3 308.425 4.286 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](CCC)c2ccccn2)cc1 ZINC000765735851 1055578534 /nfs/dbraw/zinc/57/85/34/1055578534.db2.gz MDXLUPRQNKMDME-OXQOHEQNSA-N 0 3 308.425 4.286 20 30 DIEDHN N#Cc1cccc(C2CCN(Cc3cncc(C4CC4)c3)CC2)c1 ZINC001238187473 1055614612 /nfs/dbraw/zinc/61/46/12/1055614612.db2.gz KDOHBJPJHCVGNB-UHFFFAOYSA-N 0 3 317.436 4.210 20 30 DIEDHN COc1ccc([C@H](C)N(C)Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001238192400 1055617999 /nfs/dbraw/zinc/61/79/99/1055617999.db2.gz RZBXOCYGSVWBPH-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN COc1cc(CN(C)Cc2ccc3ccccc3c2)ccc1C#N ZINC001238413038 1055652751 /nfs/dbraw/zinc/65/27/51/1055652751.db2.gz LPWFGFBEPMVERY-UHFFFAOYSA-N 0 3 316.404 4.352 20 30 DIEDHN CC[C@H](C)CN(C)c1ccc(F)cc1CNCC(C)(C)CC#N ZINC001620964740 1055667533 /nfs/dbraw/zinc/66/75/33/1055667533.db2.gz DOMHSNRGEUEYPD-HNNXBMFYSA-N 0 3 319.468 4.337 20 30 DIEDHN C=C(CC)CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001620968584 1055726340 /nfs/dbraw/zinc/72/63/40/1055726340.db2.gz BGNZHCCBOOCWCB-UHFFFAOYSA-N 0 3 323.362 4.006 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cc(C)c1OC(C)C ZINC001238752008 1055739173 /nfs/dbraw/zinc/73/91/73/1055739173.db2.gz QYKOSASQYKRJEY-KRWDZBQOSA-N 0 3 300.446 4.216 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001566161926 1055745730 /nfs/dbraw/zinc/74/57/30/1055745730.db2.gz XLHMBQGUKSRHQU-WTQUMQLASA-N 0 3 308.510 4.236 20 30 DIEDHN CCc1cc(CN(CC)Cc2ccc(OC)cc2)ccc1C#N ZINC001238767315 1055745734 /nfs/dbraw/zinc/74/57/34/1055745734.db2.gz AGRWLKCKZTXHKM-UHFFFAOYSA-N 0 3 308.425 4.151 20 30 DIEDHN N#Cc1ccc(CCNCc2c(Cl)cccc2Cl)cc1 ZINC001621004203 1055971111 /nfs/dbraw/zinc/97/11/11/1055971111.db2.gz NSWWVPLPVFYCRW-UHFFFAOYSA-N 0 3 305.208 4.197 20 30 DIEDHN N#Cc1cc(Cl)cc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC001620590773 1055972370 /nfs/dbraw/zinc/97/23/70/1055972370.db2.gz DTKDPEVAPCRDID-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN C=CCCCN(CC)Cc1coc(-c2cccc(OC)c2)n1 ZINC001620646646 1055977953 /nfs/dbraw/zinc/97/79/53/1055977953.db2.gz JTMCRZWYNRSLQV-UHFFFAOYSA-N 0 3 300.402 4.138 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000131516798 1056063205 /nfs/dbraw/zinc/06/32/05/1056063205.db2.gz HRYKUBHCGKPTLI-YVEFUNNKSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000131516798 1056063210 /nfs/dbraw/zinc/06/32/10/1056063210.db2.gz HRYKUBHCGKPTLI-YVEFUNNKSA-N 0 3 324.380 4.063 20 30 DIEDHN C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccncc1 ZINC000090997612 1056162443 /nfs/dbraw/zinc/16/24/43/1056162443.db2.gz MNXHNZQWIXYWFY-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN N#Cc1c(F)cc(-c2cccc(CN3CCCC3)c2F)cc1F ZINC001239931744 1056166822 /nfs/dbraw/zinc/16/68/22/1056166822.db2.gz RQXDSICRFAIHLO-UHFFFAOYSA-N 0 3 316.326 4.238 20 30 DIEDHN Cc1ncccc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000091068188 1056173548 /nfs/dbraw/zinc/17/35/48/1056173548.db2.gz TUVAGOXBMZRELL-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN N#CCC1(CN[C@H](COCc2ccccc2)c2ccccc2)CC1 ZINC001168632999 1056258446 /nfs/dbraw/zinc/25/84/46/1056258446.db2.gz IAAMOLJPGLYDQL-HXUWFJFHSA-N 0 3 320.436 4.228 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001584186489 1056279698 /nfs/dbraw/zinc/27/96/98/1056279698.db2.gz SYYCNRMZRDSWHT-DUQGCJEPSA-N 0 3 320.521 4.284 20 30 DIEDHN CSc1ccc(CNCc2cc3ccccc3n2C)cc1C#N ZINC001621066900 1056333040 /nfs/dbraw/zinc/33/30/40/1056333040.db2.gz CYRYSNZZRLXAEC-UHFFFAOYSA-N 0 3 321.449 4.062 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(CC)cc1)c1ccccc1 ZINC001168658718 1056451295 /nfs/dbraw/zinc/45/12/95/1056451295.db2.gz YSRDDZADQAJVQV-HXUWFJFHSA-N 0 3 322.452 4.485 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(CC)cc1)c1ccccc1 ZINC001168658717 1056451673 /nfs/dbraw/zinc/45/16/73/1056451673.db2.gz YSRDDZADQAJVQV-FQEVSTJZSA-N 0 3 322.452 4.485 20 30 DIEDHN N#CCc1c(F)cccc1C1=CCCN(Cc2ccccc2)C1 ZINC001240389022 1056474154 /nfs/dbraw/zinc/47/41/54/1056474154.db2.gz RTEPNGBBWCOLOK-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001615223754 1056479821 /nfs/dbraw/zinc/47/98/21/1056479821.db2.gz WQTCOEKAPBRJIX-MRXNPFEDSA-N 0 3 306.409 4.316 20 30 DIEDHN C=CCN(Cc1ccc(N(C)CC)cc1)Cc1cccc(C#N)c1 ZINC001615331922 1056494802 /nfs/dbraw/zinc/49/48/02/1056494802.db2.gz DWYJCLUWLVPAOT-UHFFFAOYSA-N 0 3 319.452 4.203 20 30 DIEDHN C#CCN(Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC001615367137 1056499305 /nfs/dbraw/zinc/49/93/05/1056499305.db2.gz ROTFBQHTQUYYKO-UHFFFAOYSA-N 0 3 320.358 4.345 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC001585225167 1056510818 /nfs/dbraw/zinc/51/08/18/1056510818.db2.gz SCCKMHHSVNNOHJ-ZWKOTPCHSA-N 0 3 308.510 4.070 20 30 DIEDHN C=CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCCCC1 ZINC001615503970 1056524653 /nfs/dbraw/zinc/52/46/53/1056524653.db2.gz ALPDUGBYSFUCJE-UHFFFAOYSA-N 0 3 306.381 4.302 20 30 DIEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1cccc(C#N)c1F ZINC001615510980 1056525665 /nfs/dbraw/zinc/52/56/65/1056525665.db2.gz ZRHGZNLBDUEFCV-ZDUSSCGKSA-N 0 3 316.807 4.414 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC001616570343 1056680076 /nfs/dbraw/zinc/68/00/76/1056680076.db2.gz RJTOMEAOWYVACR-UHFFFAOYSA-N 0 3 315.420 4.211 20 30 DIEDHN CC[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC001616841851 1056727006 /nfs/dbraw/zinc/72/70/06/1056727006.db2.gz LYYQPHAOLHBBSB-LJQANCHMSA-N 0 3 313.828 4.441 20 30 DIEDHN CCc1ccccc1CNCc1cccc(OCCCC#N)c1 ZINC000077446380 1056744582 /nfs/dbraw/zinc/74/45/82/1056744582.db2.gz BQEVAFTXBZNJKY-UHFFFAOYSA-N 0 3 308.425 4.221 20 30 DIEDHN N#Cc1cc(CNC[C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000922018114 1056745358 /nfs/dbraw/zinc/74/53/58/1056745358.db2.gz HFPAIVKJWJPIHL-CQSZACIVSA-N 0 3 310.344 4.055 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC001617311302 1056811436 /nfs/dbraw/zinc/81/14/36/1056811436.db2.gz RMICZJMEMDSOLG-ABAIWWIYSA-N 0 3 312.226 4.431 20 30 DIEDHN C[C@H](NCc1ccc(F)c2cccnc12)c1ccc(C#N)cc1 ZINC001617881746 1056896574 /nfs/dbraw/zinc/89/65/74/1056896574.db2.gz KPCZGEVHYGFTIC-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN CCCCCCCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC001626075254 1057002616 /nfs/dbraw/zinc/00/26/16/1057002616.db2.gz ONMGFVPDJBGJBS-UHFFFAOYSA-N 0 3 306.450 4.056 20 30 DIEDHN C=CCCC[C@@H](NCc1c2c(nn1C)CCC2)c1ccccc1 ZINC000922334380 1057011185 /nfs/dbraw/zinc/01/11/85/1057011185.db2.gz IEYLEGWOJKXTBN-GOSISDBHSA-N 0 3 309.457 4.096 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000118391758 1057017839 /nfs/dbraw/zinc/01/78/39/1057017839.db2.gz QXCYUXFEJKGCIZ-OAHLLOKOSA-N 0 3 304.393 4.114 20 30 DIEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1csc(C2CC2)n1 ZINC000922599690 1057038713 /nfs/dbraw/zinc/03/87/13/1057038713.db2.gz KAZMQACTECHEDE-UHFFFAOYSA-N 0 3 311.454 4.003 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(C#N)cc2OC)cc1F ZINC001241409032 1057044639 /nfs/dbraw/zinc/04/46/39/1057044639.db2.gz SWXODAKYZUJTLO-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN Cc1cc(F)ccc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000922668019 1057046868 /nfs/dbraw/zinc/04/68/68/1057046868.db2.gz YXXSOGRFOFVEKX-GJZGRUSLSA-N 0 3 312.388 4.276 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1C ZINC000922671877 1057047100 /nfs/dbraw/zinc/04/71/00/1057047100.db2.gz HAQPWKPXNMFPEX-CVEARBPZSA-N 0 3 324.424 4.145 20 30 DIEDHN COc1ccc([C@@H](NCc2cc(C#N)cs2)C2CCC2)cc1 ZINC000922888010 1057089801 /nfs/dbraw/zinc/08/98/01/1057089801.db2.gz INYJRVJGAPXHNJ-SFHVURJKSA-N 0 3 312.438 4.259 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc[nH]c2C2CC2)s1 ZINC000347781943 1057100805 /nfs/dbraw/zinc/10/08/05/1057100805.db2.gz VOSANAAVMTXOOQ-GFCCVEGCSA-N 0 3 313.426 4.136 20 30 DIEDHN C=CC[C@H](N[C@@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018436 1057108613 /nfs/dbraw/zinc/10/86/13/1057108613.db2.gz HYAOBENPQPFSLR-ROUUACIJSA-N 0 3 324.424 4.211 20 30 DIEDHN C=CC[C@H](N[C@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018248 1057108775 /nfs/dbraw/zinc/10/87/75/1057108775.db2.gz GUWCEDNLYLHDAC-GJZGRUSLSA-N 0 3 313.470 4.385 20 30 DIEDHN N#Cc1cc(F)cc(-c2ccc(F)c(CN3CCCCC3)c2)c1 ZINC001241660467 1057126878 /nfs/dbraw/zinc/12/68/78/1057126878.db2.gz SFUAQMIAPMEGAO-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCN1CCN(c2ccc(-c3ccc([C@@H](C)C#N)cc3)cc2)CC1 ZINC001241744059 1057154183 /nfs/dbraw/zinc/15/41/83/1057154183.db2.gz MDVQORWWUXMPDC-KRWDZBQOSA-N 0 3 319.452 4.123 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000625701119 1057192456 /nfs/dbraw/zinc/19/24/56/1057192456.db2.gz OQIWFNMKAWXJPB-GFCCVEGCSA-N 0 3 304.340 4.018 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccc(F)cc1Cl ZINC000174386284 1057359859 /nfs/dbraw/zinc/35/98/59/1057359859.db2.gz MOEOPZRUFCHMRU-UHFFFAOYSA-N 0 3 306.768 4.011 20 30 DIEDHN CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000174436265 1057362044 /nfs/dbraw/zinc/36/20/44/1057362044.db2.gz RNZDWMNCXOINEP-IBGZPJMESA-N 0 3 309.413 4.005 20 30 DIEDHN CCCN1CCCC[C@H]1c1ccc(C2=CC(=O)C[C@@H](C)C2)nc1 ZINC001242739501 1057464530 /nfs/dbraw/zinc/46/45/30/1057464530.db2.gz DNRDGLNGEFWWOX-YWZLYKJASA-N 0 3 312.457 4.401 20 30 DIEDHN COc1ccc(C2=CC(=O)C[C@@H](C)C2)c(CN2CCCCC2)c1 ZINC001242742504 1057465312 /nfs/dbraw/zinc/46/53/12/1057465312.db2.gz RWGXEZKGGWWPQK-HNNXBMFYSA-N 0 3 313.441 4.064 20 30 DIEDHN C=C(C)CN(CCCOC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000671724490 1057549430 /nfs/dbraw/zinc/54/94/30/1057549430.db2.gz UHGRKXWIVBNFOH-UHFFFAOYSA-N 0 3 307.482 4.047 20 30 DIEDHN COCc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000611392986 1057595552 /nfs/dbraw/zinc/59/55/52/1057595552.db2.gz ARTYAIJHJSOZEI-FQEVSTJZSA-N 0 3 324.399 4.011 20 30 DIEDHN CC(C)C[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611396339 1057597066 /nfs/dbraw/zinc/59/70/66/1057597066.db2.gz MOWLZMMDPPYHNO-GOSISDBHSA-N 0 3 313.832 4.484 20 30 DIEDHN C[C@@H]1C[C@H]1[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434123 1057599198 /nfs/dbraw/zinc/59/91/98/1057599198.db2.gz PADNPMBSGUBUBL-PJSAGSTRSA-N 0 3 311.816 4.094 20 30 DIEDHN CC(C)Cc1ccc([C@H](NCc2ccnc(C#N)c2)C2CC2)cc1 ZINC000611433571 1057599609 /nfs/dbraw/zinc/59/96/09/1057599609.db2.gz QHULRXWUCNXJHK-NRFANRHFSA-N 0 3 319.452 4.393 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC1(c2ccc(F)cc2)CC1 ZINC000611473461 1057602324 /nfs/dbraw/zinc/60/23/24/1057602324.db2.gz HIBSUYLTHOUAJN-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN N#Cc1cccc(C2(N[C@@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000611476007 1057602963 /nfs/dbraw/zinc/60/29/63/1057602963.db2.gz WXVSBGRDUUAJTB-HXUWFJFHSA-N 0 3 313.404 4.086 20 30 DIEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(F)c1 ZINC000731848154 1057755963 /nfs/dbraw/zinc/75/59/63/1057755963.db2.gz VFGPPWQPEGRWAF-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(F)c1 ZINC000731848154 1057755966 /nfs/dbraw/zinc/75/59/66/1057755966.db2.gz VFGPPWQPEGRWAF-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN N#Cc1cc(F)ccc1CN(Cc1ccccc1O)C1CCCC1 ZINC000731845878 1057756149 /nfs/dbraw/zinc/75/61/49/1057756149.db2.gz LGBWSTGTDVEQAI-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(OC)cc2C#N)c1F ZINC001243732082 1057765206 /nfs/dbraw/zinc/76/52/06/1057765206.db2.gz IYGYNUPUGAQOLE-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204416 1057770525 /nfs/dbraw/zinc/77/05/25/1057770525.db2.gz KUNSXINIKBCURD-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204416 1057770528 /nfs/dbraw/zinc/77/05/28/1057770528.db2.gz KUNSXINIKBCURD-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN C=CCN(C[C@@H](O)c1c(F)cccc1F)CC1CCCCC1 ZINC000732668344 1057782716 /nfs/dbraw/zinc/78/27/16/1057782716.db2.gz YQZVWKPBUUCFBA-QGZVFWFLSA-N 0 3 309.400 4.067 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(OCC)cc2)cc1 ZINC000733322193 1057811675 /nfs/dbraw/zinc/81/16/75/1057811675.db2.gz BYKTWKGMLQKBNP-KRWDZBQOSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(SC)cc2)cc1 ZINC000733324180 1057812603 /nfs/dbraw/zinc/81/26/03/1057812603.db2.gz LSIZMMANIGVYCS-HNNXBMFYSA-N 0 3 311.450 4.271 20 30 DIEDHN C#CCOc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000733326881 1057812852 /nfs/dbraw/zinc/81/28/52/1057812852.db2.gz AIDUTYVXTZZBSA-UHFFFAOYSA-N 0 3 309.384 4.007 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1 ZINC000733325240 1057813319 /nfs/dbraw/zinc/81/33/19/1057813319.db2.gz AJLKQLDZRBXQMF-UHFFFAOYSA-N 0 3 323.436 4.166 20 30 DIEDHN N#Cc1ccc(-c2cncc(CN3CCCCC3)c2)c(Cl)c1 ZINC001244329881 1057935257 /nfs/dbraw/zinc/93/52/57/1057935257.db2.gz GTULUWSFZRFUTD-UHFFFAOYSA-N 0 3 311.816 4.260 20 30 DIEDHN CCN(CC)Cc1ccc(-c2cc(C#N)ccc2F)cc1F ZINC001244557814 1057995463 /nfs/dbraw/zinc/99/54/63/1057995463.db2.gz APPAOJWJOVHZAT-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(OC)c(C#N)c2)cc1F ZINC001244710895 1058033065 /nfs/dbraw/zinc/03/30/65/1058033065.db2.gz PGEAWQJGTVXWSY-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN COc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1C#N ZINC001244710983 1058033448 /nfs/dbraw/zinc/03/34/48/1058033448.db2.gz REJRQABNNKJKMH-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN N#Cc1cccc(-c2ccc(F)c(CN3CCCCC3)c2)c1F ZINC001245072886 1058107166 /nfs/dbraw/zinc/10/71/66/1058107166.db2.gz VWCRRCPAYDIBKF-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(C#N)cc3)c(C)c2)CC1 ZINC001245495269 1058184353 /nfs/dbraw/zinc/18/43/53/1058184353.db2.gz HYLPOMMAXHAVSJ-UHFFFAOYSA-N 0 3 303.409 4.038 20 30 DIEDHN N#CC(C(=O)c1csc(C2CCCCC2)c1)c1ccncn1 ZINC001518076049 1058312793 /nfs/dbraw/zinc/31/27/93/1058312793.db2.gz KIBUEGYNTWIQKO-CQSZACIVSA-N 0 3 311.410 4.076 20 30 DIEDHN CCCCCCCCCN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001278436178 1058744401 /nfs/dbraw/zinc/74/44/01/1058744401.db2.gz AJEWQRGYJAYTLX-BGYRXZFFSA-N 0 3 322.537 4.065 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001558349535 1058860139 /nfs/dbraw/zinc/86/01/39/1058860139.db2.gz SBNYAOHSFJCIFT-GBESFXJTSA-N 0 3 322.537 4.458 20 30 DIEDHN CN(C)[C@H](CNc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC001559123728 1059010742 /nfs/dbraw/zinc/01/07/42/1059010742.db2.gz MJBGDGFXMAFALX-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN CCCCCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001530474018 1059055641 /nfs/dbraw/zinc/05/56/41/1059055641.db2.gz ZKCCRNMYWXYNOD-HXUWFJFHSA-N 0 3 316.489 4.128 20 30 DIEDHN CCCCCCCCNC(=S)Nc1ccccc1CN(C)C ZINC001247167067 1059323781 /nfs/dbraw/zinc/32/37/81/1059323781.db2.gz NJTBKJWPNBHDEM-UHFFFAOYSA-N 0 3 321.534 4.395 20 30 DIEDHN C=CCCCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001559635096 1059460891 /nfs/dbraw/zinc/46/08/91/1059460891.db2.gz KMXNGVDUCOXBOH-GOSISDBHSA-N 0 3 303.446 4.120 20 30 DIEDHN C=CCCCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001559635096 1059460915 /nfs/dbraw/zinc/46/09/15/1059460915.db2.gz KMXNGVDUCOXBOH-GOSISDBHSA-N 0 3 303.446 4.120 20 30 DIEDHN Cc1cccc(C2=CCN(CCOc3ccccc3C#N)CC2)c1 ZINC001559680130 1059506991 /nfs/dbraw/zinc/50/69/91/1059506991.db2.gz VJHOWWSLDKIDHB-UHFFFAOYSA-N 0 3 318.420 4.035 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC001559687495 1059517215 /nfs/dbraw/zinc/51/72/15/1059517215.db2.gz MXAVWMCUICNLQT-SNVBAGLBSA-N 0 3 300.324 4.018 20 30 DIEDHN CCCCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001559691939 1059520277 /nfs/dbraw/zinc/52/02/77/1059520277.db2.gz VWFNVALEEJEMMP-CVEARBPZSA-N 0 3 312.498 4.287 20 30 DIEDHN C#CCCCCCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC001559771799 1059607650 /nfs/dbraw/zinc/60/76/50/1059607650.db2.gz HFBQGVUBLMMIJZ-QGZVFWFLSA-N 0 3 304.503 4.010 20 30 DIEDHN CCC1(CC)[C@H](NCc2ccc(Cl)cc2C#N)[C@@H](C)[C@@H]1OC ZINC001559811014 1059646961 /nfs/dbraw/zinc/64/69/61/1059646961.db2.gz BRIPWDFODXFEGL-JLZZUVOBSA-N 0 3 320.864 4.141 20 30 DIEDHN C[C@@H](Cc1cccc(F)c1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001559898417 1059714813 /nfs/dbraw/zinc/71/48/13/1059714813.db2.gz XDINHRLDWMKDDT-HNNXBMFYSA-N 0 3 315.819 4.394 20 30 DIEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983061 1059789691 /nfs/dbraw/zinc/78/96/91/1059789691.db2.gz FPXCQRXIJFNHTN-SJORKVTESA-N 0 3 322.452 4.455 20 30 DIEDHN N#Cc1sccc1N1CCN(CCC2CCCCCC2)CC1 ZINC001559994714 1059800594 /nfs/dbraw/zinc/80/05/94/1059800594.db2.gz JXAFQJVMCXNXEO-UHFFFAOYSA-N 0 3 317.502 4.102 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC001560015770 1059823248 /nfs/dbraw/zinc/82/32/48/1059823248.db2.gz NPIKIWVDOJARAG-INIZCTEOSA-N 0 3 320.436 4.351 20 30 DIEDHN N#CCc1cccc2c1CCN(CCSC1CCCCC1)C2 ZINC001560042974 1059855140 /nfs/dbraw/zinc/85/51/40/1059855140.db2.gz IHOZXTJQTPHCKS-UHFFFAOYSA-N 0 3 314.498 4.177 20 30 DIEDHN C=CCCC[C@@H](NCc1ccc(N(C)C)nc1)c1ccccc1 ZINC001560109266 1059914113 /nfs/dbraw/zinc/91/41/13/1059914113.db2.gz XKHYCRNKUSCJOT-LJQANCHMSA-N 0 3 309.457 4.335 20 30 DIEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@H]1c1ccccc1 ZINC001560133411 1059936231 /nfs/dbraw/zinc/93/62/31/1059936231.db2.gz XKKLWICUCSVZNN-YWZLYKJASA-N 0 3 306.409 4.150 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccc1OC ZINC001248751248 1059964272 /nfs/dbraw/zinc/96/42/72/1059964272.db2.gz PHWKOKCDCQYKLP-HXUWFJFHSA-N 0 3 320.436 4.466 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(C)nc1 ZINC001248752519 1059965658 /nfs/dbraw/zinc/96/56/58/1059965658.db2.gz OVRQXCPBOIHQST-FQEVSTJZSA-N 0 3 305.425 4.161 20 30 DIEDHN C=CCCCN(CC)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001560204339 1059986933 /nfs/dbraw/zinc/98/69/33/1059986933.db2.gz HQORVNXZTZBTJB-UHFFFAOYSA-N 0 3 312.244 4.429 20 30 DIEDHN CCCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC001560271945 1060044823 /nfs/dbraw/zinc/04/48/23/1060044823.db2.gz LUHFWVCOQCQLQM-UHFFFAOYSA-N 0 3 308.425 4.254 20 30 DIEDHN C=CCOc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC001560305153 1060091088 /nfs/dbraw/zinc/09/10/88/1060091088.db2.gz UOZILKSBIKUCQC-LJQANCHMSA-N 0 3 309.409 4.255 20 30 DIEDHN CC(C)N(Cc1cnn2ccc(C#N)cc12)[C@@H](C)c1ccccc1 ZINC001249125684 1060167040 /nfs/dbraw/zinc/16/70/40/1060167040.db2.gz ZLPNQNVHSQWKTF-INIZCTEOSA-N 0 3 318.424 4.178 20 30 DIEDHN CCCCCCCN(C)Cc1cnc(NC(=O)OC(C)(C)C)[nH]1 ZINC001249424026 1060245883 /nfs/dbraw/zinc/24/58/83/1060245883.db2.gz VTLQMKMWOGQJDR-UHFFFAOYSA-N 0 3 324.469 4.159 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC4(CC[C@@H](F)C4)CC3)[nH]c2c1 ZINC001249429569 1060248469 /nfs/dbraw/zinc/24/84/69/1060248469.db2.gz HKZWJUVWVYHTLZ-MRXNPFEDSA-N 0 3 311.404 4.144 20 30 DIEDHN C=CCC[C@@H](CO)NCc1c(Cl)cccc1SC(C)C ZINC001560471512 1060260963 /nfs/dbraw/zinc/26/09/63/1060260963.db2.gz QTMVUHQACSAOPJ-ZDUSSCGKSA-N 0 3 313.894 4.257 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1 ZINC001560477562 1060265780 /nfs/dbraw/zinc/26/57/80/1060265780.db2.gz PRDLAYSYTZHWGD-UHFFFAOYSA-N 0 3 307.437 4.286 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc([Si](C)(C)C)cc1 ZINC001560492514 1060287750 /nfs/dbraw/zinc/28/77/50/1060287750.db2.gz YMTMZNVARFCLEG-UHFFFAOYSA-N 0 3 322.528 4.010 20 30 DIEDHN C#Cc1cccc(CNCc2cccc(OC3CCCC3)c2)c1 ZINC001560503196 1060298601 /nfs/dbraw/zinc/29/86/01/1060298601.db2.gz FHZGGYGQOPZZEN-UHFFFAOYSA-N 0 3 305.421 4.279 20 30 DIEDHN C=C(CC)CNCc1c(C)nn(Cc2ccccc2Cl)c1C ZINC001560503871 1060299826 /nfs/dbraw/zinc/29/98/26/1060299826.db2.gz XRXLOWCDZIQQPK-UHFFFAOYSA-N 0 3 317.864 4.257 20 30 DIEDHN CCCCCCCNC(=S)Nc1ccccc1CN(C)C ZINC001249643266 1060327559 /nfs/dbraw/zinc/32/75/59/1060327559.db2.gz UKAZKBPLSHLTPA-UHFFFAOYSA-N 0 3 307.507 4.005 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCC1(CC2CC2)CC1 ZINC001560572850 1060383707 /nfs/dbraw/zinc/38/37/07/1060383707.db2.gz FNWSALWVIWUTHQ-UHFFFAOYSA-N 0 3 303.833 4.022 20 30 DIEDHN C=CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001560629172 1060441835 /nfs/dbraw/zinc/44/18/35/1060441835.db2.gz GYUWUDLKBGIJFT-UHFFFAOYSA-N 0 3 323.436 4.369 20 30 DIEDHN Cc1cccc([C@H]2CCCCN2Cc2cccc(C#N)n2)c1C ZINC001560634028 1060448477 /nfs/dbraw/zinc/44/84/77/1060448477.db2.gz LWUBTTVNAKLNGJ-HXUWFJFHSA-N 0 3 305.425 4.297 20 30 DIEDHN C=CCN(Cc1ccnc(OCc2ccccc2)c1)C(C)(C)C ZINC001249977798 1060516515 /nfs/dbraw/zinc/51/65/15/1060516515.db2.gz MWMJPZFYTVZVEA-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN C#CCCCCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001560714103 1060571268 /nfs/dbraw/zinc/57/12/68/1060571268.db2.gz WJIWNZZVENHACO-UHFFFAOYSA-N 0 3 318.892 4.041 20 30 DIEDHN C#CCCCCCCN[C@@H](C#C)c1ccc(Br)cc1 ZINC001560854398 1060712316 /nfs/dbraw/zinc/71/23/16/1060712316.db2.gz FXHUDMPZXIQOFV-KRWDZBQOSA-N 0 3 318.258 4.297 20 30 DIEDHN C#C[C@@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865264 1060725530 /nfs/dbraw/zinc/72/55/30/1060725530.db2.gz VGAHDQUNVDZZAW-CRAIPNDOSA-N 0 3 320.823 4.253 20 30 DIEDHN N#CC1(CN[C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891128 1060752683 /nfs/dbraw/zinc/75/26/83/1060752683.db2.gz ZGOOXYNDIUKCKK-XJKSGUPXSA-N 0 3 322.374 4.414 20 30 DIEDHN C[C@@]1(Cc2ccccc2F)CCCN1CC#Cc1ccccc1 ZINC001560901381 1060765932 /nfs/dbraw/zinc/76/59/32/1060765932.db2.gz RGWOEKMIFHVYJG-NRFANRHFSA-N 0 3 307.412 4.274 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC001560997157 1060855345 /nfs/dbraw/zinc/85/53/45/1060855345.db2.gz MHGJOYYVHKEIIL-MRXNPFEDSA-N 0 3 310.363 4.262 20 30 DIEDHN C=CCN(Cc1cccc(OC)c1OCC1CC1)C(C)(C)C ZINC001250527296 1060872558 /nfs/dbraw/zinc/87/25/58/1060872558.db2.gz GRVIMBVUNDNEHN-UHFFFAOYSA-N 0 3 303.446 4.271 20 30 DIEDHN C=CCCCN(CC)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001561037395 1060890370 /nfs/dbraw/zinc/89/03/70/1060890370.db2.gz GYWRYBVLKPGFTK-UHFFFAOYSA-N 0 3 315.383 4.026 20 30 DIEDHN C#C[C@H](CC)NCc1ccccc1Sc1cccc(OC)c1 ZINC001462215004 1061031654 /nfs/dbraw/zinc/03/16/54/1061031654.db2.gz ATEGAXHZICXYOO-MRXNPFEDSA-N 0 3 311.450 4.348 20 30 DIEDHN C#C[C@@H](CC)NCc1ccccc1Sc1cccc(OC)c1 ZINC001462215000 1061033218 /nfs/dbraw/zinc/03/32/18/1061033218.db2.gz ATEGAXHZICXYOO-INIZCTEOSA-N 0 3 311.450 4.348 20 30 DIEDHN CCCCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259692 1061033271 /nfs/dbraw/zinc/03/32/71/1061033271.db2.gz LKGYICDZEGTEHV-HZPDHXFCSA-N 0 3 306.475 4.035 20 30 DIEDHN C#C[C@@H](NC1CC(c2cccc(OC)c2)C1)c1ccc(F)cc1 ZINC001462276451 1061068725 /nfs/dbraw/zinc/06/87/25/1061068725.db2.gz JRSSBVNPRRDGRT-OUNSHVDWSA-N 0 3 309.384 4.044 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001473336122 1061095162 /nfs/dbraw/zinc/09/51/62/1061095162.db2.gz AEUZFCGRXFYGGB-CQSZACIVSA-N 0 3 319.326 4.288 20 30 DIEDHN Cc1cc(C)c(/C=C/CNCc2ccc(C#N)c(F)c2)c(C)c1 ZINC001462347058 1061120408 /nfs/dbraw/zinc/12/04/08/1061120408.db2.gz GVEWYOVEJHEIOP-SNAWJCMRSA-N 0 3 308.400 4.426 20 30 DIEDHN CC[C@@H](NCc1cccc(C#N)n1)c1cccc2ccccc21 ZINC001462596145 1061285489 /nfs/dbraw/zinc/28/54/89/1061285489.db2.gz ZFVLMLVSNGLLRM-HXUWFJFHSA-N 0 3 301.393 4.347 20 30 DIEDHN N#CC1CCC(CN2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC001473696326 1061356460 /nfs/dbraw/zinc/35/64/60/1061356460.db2.gz FHLICJXGHHMBHE-UHFFFAOYSA-N 0 3 322.374 4.393 20 30 DIEDHN C[C@@H](NCc1ccc(C(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC001473962971 1061505295 /nfs/dbraw/zinc/50/52/95/1061505295.db2.gz CTYYVEFKBAKPGH-LLVKDONJSA-N 0 3 304.315 4.486 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(F)c(Cl)c1 ZINC001473971600 1061514981 /nfs/dbraw/zinc/51/49/81/1061514981.db2.gz WYDIFBMIDYINHN-UHFFFAOYSA-N 0 3 302.780 4.257 20 30 DIEDHN CCCCCCCC[C@@H](O)CN1CCc2nc[nH]c2[C@@H]1C(C)C ZINC001252132174 1061592989 /nfs/dbraw/zinc/59/29/89/1061592989.db2.gz BCHJZVFNQGVASA-APWZRJJASA-N 0 3 321.509 4.076 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1ccc(C(F)(F)F)o1 ZINC001252140514 1061599412 /nfs/dbraw/zinc/59/94/12/1061599412.db2.gz BACJCYOWTOWKJV-ZDUSSCGKSA-N 0 3 321.383 4.500 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)c1ccccc1 ZINC001474106310 1061656950 /nfs/dbraw/zinc/65/69/50/1061656950.db2.gz IWSPRZTUAAYPHA-HNNXBMFYSA-N 0 3 313.828 4.245 20 30 DIEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001474129822 1061676825 /nfs/dbraw/zinc/67/68/25/1061676825.db2.gz XBRXYKVAEDLIML-KRWDZBQOSA-N 0 3 313.441 4.271 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ccc(C)cn1 ZINC001252983142 1061771936 /nfs/dbraw/zinc/77/19/36/1061771936.db2.gz RVGWVVSAKOYDNM-LJQANCHMSA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cncc(F)c1 ZINC001252984853 1061776639 /nfs/dbraw/zinc/77/66/39/1061776639.db2.gz AXWOWKGFXAQNCZ-GOSISDBHSA-N 0 3 310.457 4.202 20 30 DIEDHN C#CC1(NCc2ccc(Oc3ccc(F)cc3)nc2)CCCC1 ZINC001474247063 1061810350 /nfs/dbraw/zinc/81/03/50/1061810350.db2.gz OYSWRYKKZDQFDX-UHFFFAOYSA-N 0 3 310.372 4.049 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN1CCC(=O)[C@H](C)C12CCCC2 ZINC001253243298 1061840354 /nfs/dbraw/zinc/84/03/54/1061840354.db2.gz UDRXQGLSINYGSX-ZWKOTPCHSA-N 0 3 321.505 4.098 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H]1CCOc2c(F)cccc21 ZINC001253249333 1061851248 /nfs/dbraw/zinc/85/12/48/1061851248.db2.gz JMFNGSUBIDGVAR-QAPCUYQASA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1cnc(C(C)C)s1 ZINC001253255542 1061858093 /nfs/dbraw/zinc/85/80/93/1061858093.db2.gz JSLJWAAUMQBAJE-HNNXBMFYSA-N 0 3 310.507 4.244 20 30 DIEDHN CC[C@H](CC#N)NCC(C)(C)c1ccc(Br)cc1 ZINC001474294696 1061865075 /nfs/dbraw/zinc/86/50/75/1061865075.db2.gz SASFHFGJESUTEC-CQSZACIVSA-N 0 3 309.251 4.009 20 30 DIEDHN C=CCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCCC1 ZINC001466092937 1061873387 /nfs/dbraw/zinc/87/33/87/1061873387.db2.gz CODZRKYXZFMJQY-UHFFFAOYSA-N 0 3 300.446 4.132 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](C)[C@@H]2C)cc1OC ZINC001474333188 1061921687 /nfs/dbraw/zinc/92/16/87/1061921687.db2.gz WBDFUGAXXGCCRD-STQMWFEESA-N 0 3 309.837 4.144 20 30 DIEDHN Cc1cc(CN2CCC(c3ccccc3F)CC2)ccc1C#N ZINC001474338446 1061933679 /nfs/dbraw/zinc/93/36/79/1061933679.db2.gz SDAVUKSNISALDR-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN CCC(CC)CN(CCC#N)CC(C)(C)Oc1ccccc1 ZINC001474339795 1061935538 /nfs/dbraw/zinc/93/55/38/1061935538.db2.gz NLBCFLXXAHAHMA-UHFFFAOYSA-N 0 3 302.462 4.496 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)cc1OC ZINC001474374632 1062020629 /nfs/dbraw/zinc/02/06/29/1062020629.db2.gz YPSCZHGNLKNEHV-UHFFFAOYSA-N 0 3 308.425 4.288 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cnc2c(F)cccc2c1 ZINC001474390571 1062042400 /nfs/dbraw/zinc/04/24/00/1062042400.db2.gz HQQCMOAGJQNGHT-UHFFFAOYSA-N 0 3 310.372 4.198 20 30 DIEDHN Cc1cc(CN2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)ccc1C#N ZINC001474474043 1062151748 /nfs/dbraw/zinc/15/17/48/1062151748.db2.gz ADHFWKLMLANORF-PBEJRMEISA-N 0 3 324.468 4.036 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CCCN(C)C[C@H]1CC ZINC001467644705 1062172039 /nfs/dbraw/zinc/17/20/39/1062172039.db2.gz OSMKOVUZBXTISO-ZWKOTPCHSA-N 0 3 310.526 4.316 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N1CCCN(C)C[C@H]1CC ZINC001467644702 1062172889 /nfs/dbraw/zinc/17/28/89/1062172889.db2.gz OSMKOVUZBXTISO-QZTJIDSGSA-N 0 3 310.526 4.316 20 30 DIEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001474509072 1062191048 /nfs/dbraw/zinc/19/10/48/1062191048.db2.gz KHEKLWXORJEJOX-QFUCXCTJSA-N 0 3 320.411 4.465 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643943 1062214779 /nfs/dbraw/zinc/21/47/79/1062214779.db2.gz OWGOZCXWKLDMTM-YOEHRIQHSA-N 0 3 310.372 4.400 20 30 DIEDHN C#C[C@H](NCCCc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001474543679 1062236441 /nfs/dbraw/zinc/23/64/41/1062236441.db2.gz ARYOEFDWPLBCRJ-SFHVURJKSA-N 0 3 303.327 4.001 20 30 DIEDHN C#C[C@H](NC1CCC(OC2CCCC2)CC1)c1ccc(F)cc1 ZINC001474544511 1062238139 /nfs/dbraw/zinc/23/81/39/1062238139.db2.gz PWQKGKIXGHWVRL-UUKMXZOPSA-N 0 3 315.432 4.360 20 30 DIEDHN C#C[C@H](NC1CC(C(C)C)C1)c1ccc(Br)cc1 ZINC001474545177 1062240884 /nfs/dbraw/zinc/24/08/84/1062240884.db2.gz BQFVYQHBLVMJPH-BCLQGDPASA-N 0 3 306.247 4.148 20 30 DIEDHN C=CCC1(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC001468068664 1062254406 /nfs/dbraw/zinc/25/44/06/1062254406.db2.gz YXSOGJIPARABMG-UHFFFAOYSA-N 0 3 320.521 4.092 20 30 DIEDHN C#C[C@H](N[C@@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558218 1062259500 /nfs/dbraw/zinc/25/95/00/1062259500.db2.gz XYEJNFJPUBTMOT-UGSOOPFHSA-N 0 3 301.792 4.374 20 30 DIEDHN C#C[C@@H](N[C@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558328 1062261499 /nfs/dbraw/zinc/26/14/99/1062261499.db2.gz ZXAFXVGXALONLM-FZKQIMNGSA-N 0 3 301.792 4.374 20 30 DIEDHN C#C[C@H](N[C@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558215 1062261802 /nfs/dbraw/zinc/26/18/02/1062261802.db2.gz XYEJNFJPUBTMOT-ACJLOTCBSA-N 0 3 301.792 4.374 20 30 DIEDHN C=CCC[C@H](CC)NCc1nc2cc(Br)ccc2o1 ZINC001474561036 1062266665 /nfs/dbraw/zinc/26/66/65/1062266665.db2.gz VWIKGBRMJTXRBT-LBPRGKRZSA-N 0 3 323.234 4.425 20 30 DIEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC001459692402 1062309260 /nfs/dbraw/zinc/30/92/60/1062309260.db2.gz CSPSPCZLNWCCPX-ZWKOTPCHSA-N 0 3 319.876 4.217 20 30 DIEDHN CCC1(CC)[C@H](N(C)CC#Cc2cccc(Cl)c2)C[C@@H]1OC ZINC001459692397 1062312008 /nfs/dbraw/zinc/31/20/08/1062312008.db2.gz CSPSPCZLNWCCPX-MSOLQXFVSA-N 0 3 319.876 4.217 20 30 DIEDHN CC(C)(C)O[C@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC001474631668 1062354329 /nfs/dbraw/zinc/35/43/29/1062354329.db2.gz MZRVOYKHDLTYOD-HOTGVXAUSA-N 0 3 304.478 4.176 20 30 DIEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC001459804330 1062413444 /nfs/dbraw/zinc/41/34/44/1062413444.db2.gz CKAANLSLGIKKET-AWEZNQCLSA-N 0 3 321.262 4.189 20 30 DIEDHN N#CC[C@@H](O)CN[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001459817197 1062421598 /nfs/dbraw/zinc/42/15/98/1062421598.db2.gz MMKVKHDUPSGNOB-NHCUHLMSSA-N 0 3 322.452 4.005 20 30 DIEDHN N#CC[C@@H](O)CN[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001459817206 1062423456 /nfs/dbraw/zinc/42/34/56/1062423456.db2.gz MMKVKHDUPSGNOB-RTWAWAEBSA-N 0 3 322.452 4.005 20 30 DIEDHN CCc1ccc(C2=CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC001459877010 1062466932 /nfs/dbraw/zinc/46/69/32/1062466932.db2.gz ZNFZIADFAXMRCT-UHFFFAOYSA-N 0 3 302.421 4.410 20 30 DIEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2F)CC12CCCCC2 ZINC001459997452 1062558959 /nfs/dbraw/zinc/55/89/59/1062558959.db2.gz WPDPSBDJCGPPKI-OAHLLOKOSA-N 0 3 300.421 4.490 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccc(C(=O)OC)s2)CCCC1(C)C ZINC001460029903 1062584931 /nfs/dbraw/zinc/58/49/31/1062584931.db2.gz NMQZHTDDZXGXTP-HNNXBMFYSA-N 0 3 307.459 4.101 20 30 DIEDHN CN(CCOc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001460034225 1062586796 /nfs/dbraw/zinc/58/67/96/1062586796.db2.gz XHJKPHSVDHQLIL-UHFFFAOYSA-N 0 3 322.452 4.367 20 30 DIEDHN C=CCN(C)CCN(CC)[C@H](C)c1cc(Cl)ccc1Cl ZINC001460032986 1062587548 /nfs/dbraw/zinc/58/75/48/1062587548.db2.gz OMBMYJFTNPOOSH-CYBMUJFWSA-N 0 3 315.288 4.494 20 30 DIEDHN CC[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2Br)C1 ZINC001460096414 1062633410 /nfs/dbraw/zinc/63/34/10/1062633410.db2.gz FBKIHCZFKUPMRL-QWHCGFSZSA-N 0 3 321.262 4.331 20 30 DIEDHN C[C@@H](Cc1cccc(Br)c1)NCC1(C#N)CCCC1 ZINC001256176027 1062742685 /nfs/dbraw/zinc/74/26/85/1062742685.db2.gz YJIBTRGUSWOJSU-ZDUSSCGKSA-N 0 3 321.262 4.054 20 30 DIEDHN C=C1C[C@@H]2CC(N3Cc4cnn(-c5ccccc5)c4C3)C[C@H](C1)C2 ZINC001257895679 1063431033 /nfs/dbraw/zinc/43/10/33/1063431033.db2.gz XSFGNTJZXUIZKA-XEWABKELSA-N 0 3 319.452 4.323 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cc(OC2CCC2)ncn1 ZINC001258043117 1063474677 /nfs/dbraw/zinc/47/46/77/1063474677.db2.gz JFRLPOASVGPLTM-HNNXBMFYSA-N 0 3 305.466 4.247 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cn(Cc2ccncc2)cn1 ZINC001258044099 1063479381 /nfs/dbraw/zinc/47/93/81/1063479381.db2.gz XKTXOYAVENSUJY-QGZVFWFLSA-N 0 3 314.477 4.165 20 30 DIEDHN CCCCCCCCC[C@@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC001258228086 1063567429 /nfs/dbraw/zinc/56/74/29/1063567429.db2.gz CXKVOLWYHUSBDU-WOJBJXKFSA-N 0 3 324.553 4.312 20 30 DIEDHN CCCCCCCCC[C@H](C)NCc1cn(CCOC)cn1 ZINC001258231451 1063571362 /nfs/dbraw/zinc/57/13/62/1063571362.db2.gz OLYYUDAMPVQNTA-KRWDZBQOSA-N 0 3 309.498 4.148 20 30 DIEDHN CCCCCCCCC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001258232302 1063572608 /nfs/dbraw/zinc/57/26/08/1063572608.db2.gz JDZLNEHCRYWLSQ-QGZVFWFLSA-N 0 3 322.493 4.294 20 30 DIEDHN C=CCC[C@H](C)NCc1cn(Cc2cccc(Cl)c2)cn1 ZINC001258724344 1063778579 /nfs/dbraw/zinc/77/85/79/1063778579.db2.gz URGXLJQJCHMFPJ-AWEZNQCLSA-N 0 3 303.837 4.029 20 30 DIEDHN C#CCN(CC#CC)CC(Cc1ccccc1)Cc1ccccc1 ZINC001461958728 1063839145 /nfs/dbraw/zinc/83/91/45/1063839145.db2.gz KEYGDBJKFCDTAB-UHFFFAOYSA-N 0 3 315.460 4.047 20 30 DIEDHN C[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C ZINC001307488574 1065431932 /nfs/dbraw/zinc/43/19/32/1065431932.db2.gz DDAAKGMWZZWEHY-ZIAGYGMSSA-N 0 3 311.347 4.057 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCCC[C@H]1c1cccn1C ZINC001307524721 1065461650 /nfs/dbraw/zinc/46/16/50/1065461650.db2.gz WSFBZZSSNAPGBC-FQEVSTJZSA-N 0 3 307.441 4.241 20 30 DIEDHN CCS[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC001307696768 1065568851 /nfs/dbraw/zinc/56/88/51/1065568851.db2.gz AIZNVNUDXRRMHW-CVEARBPZSA-N 0 3 308.878 4.366 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1c[nH]c(=O)c2ccccc12 ZINC001307861823 1065658882 /nfs/dbraw/zinc/65/88/82/1065658882.db2.gz YJQBNTNDQIIXIP-AWEZNQCLSA-N 0 3 317.392 4.005 20 30 DIEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCC(C)(C)C ZINC001307874330 1065664601 /nfs/dbraw/zinc/66/46/01/1065664601.db2.gz MNAFHTFVTURVNT-UHFFFAOYSA-N 0 3 313.363 4.305 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H](C3CCCCC3)C2)c1F ZINC001307957629 1065698933 /nfs/dbraw/zinc/69/89/33/1065698933.db2.gz ICLMSLDPYMSVTR-KRWDZBQOSA-N 0 3 300.421 4.490 20 30 DIEDHN CC(C)(C)SCCCN1CCc2c(CC#N)cccc2C1 ZINC001307974564 1065706298 /nfs/dbraw/zinc/70/62/98/1065706298.db2.gz AUFYZSQEGXYQPG-UHFFFAOYSA-N 0 3 302.487 4.033 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc2c(cc1Cl)OCCO2 ZINC001308135582 1065774607 /nfs/dbraw/zinc/77/46/07/1065774607.db2.gz HSOKXQDLKMHNNG-CQSZACIVSA-N 0 3 307.821 4.042 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc(C(=O)OC)ccc1Cl ZINC001308135797 1065776078 /nfs/dbraw/zinc/77/60/78/1065776078.db2.gz JOMGNRUKASXWCE-OAHLLOKOSA-N 0 3 307.821 4.057 20 30 DIEDHN N#CC1(CCN2CCO[C@H](c3ccccc3)CC2)CCCCC1 ZINC001308159162 1065785830 /nfs/dbraw/zinc/78/58/30/1065785830.db2.gz AZRRDBZQZJOHCG-IBGZPJMESA-N 0 3 312.457 4.314 20 30 DIEDHN C#C[C@@H](NCc1sc2c(cccc2Cl)c1C)[C@H]1CCCO1 ZINC001308378397 1065951309 /nfs/dbraw/zinc/95/13/09/1065951309.db2.gz XFKJEGUMRVVSAG-HUUCEWRRSA-N 0 3 319.857 4.134 20 30 DIEDHN N#Cc1ccc(C2(NCc3ccc4scnc4c3)CCC2)cc1 ZINC001308448920 1065995218 /nfs/dbraw/zinc/99/52/18/1065995218.db2.gz PYIVKOVXBUYQEA-UHFFFAOYSA-N 0 3 319.433 4.337 20 30 DIEDHN CCC(CC)(CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC001308495454 1066028441 /nfs/dbraw/zinc/02/84/41/1066028441.db2.gz ZYFUUFGJOLTKEV-UHFFFAOYSA-N 0 3 302.315 4.156 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(-c2cnco2)cc1 ZINC001308542751 1066059591 /nfs/dbraw/zinc/05/95/91/1066059591.db2.gz ILQNWTPCZHAQFU-UHFFFAOYSA-N 0 3 317.392 4.120 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@@H](C)C[C@@H]2C)cc1OC ZINC001308569762 1066078355 /nfs/dbraw/zinc/07/83/55/1066078355.db2.gz JTJMHDDXZSYFBE-STQMWFEESA-N 0 3 309.837 4.144 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H]2c2cccc3ccccc32)n1 ZINC001308595957 1066107022 /nfs/dbraw/zinc/10/70/22/1066107022.db2.gz WUOYWENXBPAYGG-NRFANRHFSA-N 0 3 313.404 4.444 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC001308650935 1066138245 /nfs/dbraw/zinc/13/82/45/1066138245.db2.gz UYNOVFZVRSJTSD-LSDHHAIUSA-N 0 3 305.849 4.363 20 30 DIEDHN C#C[C@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001308794135 1066270750 /nfs/dbraw/zinc/27/07/50/1066270750.db2.gz ISVVIUNZRUIXSW-INIZCTEOSA-N 0 3 316.445 4.171 20 30 DIEDHN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(C#N)c(C)c1 ZINC001308795938 1066271354 /nfs/dbraw/zinc/27/13/54/1066271354.db2.gz YJBXSZPIKYVUAB-LJQANCHMSA-N 0 3 308.425 4.458 20 30 DIEDHN Cc1cc(Br)c(CN[C@H](C)CC(C)(C)C#N)s1 ZINC001308869089 1066348407 /nfs/dbraw/zinc/34/84/07/1066348407.db2.gz HQQBODITMGWIOK-SECBINFHSA-N 0 3 315.280 4.237 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCc3c2cccc3F)C1 ZINC001308943977 1066410957 /nfs/dbraw/zinc/41/09/57/1066410957.db2.gz QRCVLWSZTFUFRP-KHPNHKCMSA-N 0 3 306.384 4.027 20 30 DIEDHN C=CCC[C@@H](NCc1ccccc1Cn1ccnc1)c1ccco1 ZINC000285719480 335024540 /nfs/dbraw/zinc/02/45/40/335024540.db2.gz PZOLCDSUBWSBDA-LJQANCHMSA-N 0 3 321.424 4.322 20 30 DIEDHN C=C(C)C(C)(C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000425544829 335046484 /nfs/dbraw/zinc/04/64/84/335046484.db2.gz DYULHSAEXLNFGC-UHFFFAOYSA-N 0 3 300.446 4.132 20 30 DIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000272179884 130005097 /nfs/dbraw/zinc/00/50/97/130005097.db2.gz FNRSPQCCHQXMPO-LJQANCHMSA-N 0 3 306.409 4.297 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000272301670 130019065 /nfs/dbraw/zinc/01/90/65/130019065.db2.gz RIXCLKRLKRSQIC-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN Cc1cscc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000272301654 130019524 /nfs/dbraw/zinc/01/95/24/130019524.db2.gz RINJBVXSPIBTDO-UHFFFAOYSA-N 0 3 311.454 4.005 20 30 DIEDHN COc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C ZINC000272963587 130077310 /nfs/dbraw/zinc/07/73/10/130077310.db2.gz RXVUDOYLRPCCFG-OAHLLOKOSA-N 0 3 306.409 4.215 20 30 DIEDHN CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471132 130125073 /nfs/dbraw/zinc/12/50/73/130125073.db2.gz FUSQQDBBXAFGRV-ZIAGYGMSSA-N 0 3 320.845 4.047 20 30 DIEDHN COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038928 131217085 /nfs/dbraw/zinc/21/70/85/131217085.db2.gz KKVXVBHNTHFKBL-CABCVRRESA-N 0 3 324.424 4.296 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000297157634 132002245 /nfs/dbraw/zinc/00/22/45/132002245.db2.gz CSHMEFJPEVGCRX-UGSOOPFHSA-N 0 3 309.369 4.268 20 30 DIEDHN C=CCC(C)(C)CN[C@H](C)c1ncc(Br)s1 ZINC000393511859 337092746 /nfs/dbraw/zinc/09/27/46/337092746.db2.gz JSCFTFGVGYURPF-SECBINFHSA-N 0 3 303.269 4.159 20 30 DIEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709074 331469060 /nfs/dbraw/zinc/46/90/60/331469060.db2.gz SMRQUKODKSGVDF-CJNGLKHVSA-N 0 3 316.470 4.015 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1OCC ZINC000011046529 331522352 /nfs/dbraw/zinc/52/23/52/331522352.db2.gz OMMJIFVKRKYBEU-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN N#CC1CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000123659992 331685918 /nfs/dbraw/zinc/68/59/18/331685918.db2.gz JYRSZSJFUQHQFX-UHFFFAOYSA-N 0 3 300.402 4.290 20 30 DIEDHN N#CCC[C@H](C#N)CNCC1(c2cccc(F)c2)CCCCC1 ZINC000557218176 331777065 /nfs/dbraw/zinc/77/70/65/331777065.db2.gz YEJKNDSENRSROL-MRXNPFEDSA-N 0 3 313.420 4.061 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000558156387 331880494 /nfs/dbraw/zinc/88/04/94/331880494.db2.gz HANDIZMVIUUXKX-GFCCVEGCSA-N 0 3 302.780 4.396 20 30 DIEDHN C=CCOc1ccc(CNCCc2nc3ccccc3s2)cc1 ZINC000409447397 332032695 /nfs/dbraw/zinc/03/26/95/332032695.db2.gz KIPRMTSGFMWTQD-UHFFFAOYSA-N 0 3 324.449 4.193 20 30 DIEDHN CN(CCCC(C)(C)C#N)Cc1csc(Br)c1 ZINC000087608586 332034542 /nfs/dbraw/zinc/03/45/42/332034542.db2.gz ZYYVUVZECGDDDG-UHFFFAOYSA-N 0 3 315.280 4.272 20 30 DIEDHN CC(C)N(CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000521195514 332055121 /nfs/dbraw/zinc/05/51/21/332055121.db2.gz DHSWQWQEHIMJDL-PXNSSMCTSA-N 0 3 314.473 4.364 20 30 DIEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000091080679 332099314 /nfs/dbraw/zinc/09/93/14/332099314.db2.gz HGQVPUINZZEUIH-GOSISDBHSA-N 0 3 322.456 4.165 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(Br)c2cccnc12 ZINC000181044675 332173262 /nfs/dbraw/zinc/17/32/62/332173262.db2.gz HVJYNVQYLWZQPZ-UHFFFAOYSA-N 0 3 305.219 4.005 20 30 DIEDHN C=CCOc1ccc(CNC2(c3cccc(OC)c3)CC2)cc1 ZINC000150900443 332196416 /nfs/dbraw/zinc/19/64/16/332196416.db2.gz CTSVXLODAAWXSN-UHFFFAOYSA-N 0 3 309.409 4.039 20 30 DIEDHN Cc1ccc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cn1 ZINC000363685448 332220019 /nfs/dbraw/zinc/22/00/19/332220019.db2.gz IEXOMIDKIFKABE-INIZCTEOSA-N 0 3 305.425 4.202 20 30 DIEDHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363720826 332232296 /nfs/dbraw/zinc/23/22/96/332232296.db2.gz SKQGBRNKUCPHBR-AWEZNQCLSA-N 0 3 316.408 4.108 20 30 DIEDHN N#CCC[C@@H](C#N)CNCCC(c1ccccc1)c1ccccc1 ZINC000560144329 332314537 /nfs/dbraw/zinc/31/45/37/332314537.db2.gz VRHFYXGNENXNPC-SFHVURJKSA-N 0 3 317.436 4.242 20 30 DIEDHN N#Cc1cccc(C2(N[C@H]3CCc4ccc(Cl)cc43)CC2)c1 ZINC000560268627 332325686 /nfs/dbraw/zinc/32/56/86/332325686.db2.gz NXLHYAUVLIAZRB-SFHVURJKSA-N 0 3 308.812 4.478 20 30 DIEDHN C=CCC[C@@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518605 332349705 /nfs/dbraw/zinc/34/97/05/332349705.db2.gz HMUNYEKFYWNRLH-QZTJIDSGSA-N 0 3 316.420 4.319 20 30 DIEDHN C=CCC[C@@H](NCCOc1ccc(Cl)cn1)c1ccco1 ZINC000560543704 332355160 /nfs/dbraw/zinc/35/51/60/332355160.db2.gz BIIFZKLRUWDFPK-CQSZACIVSA-N 0 3 306.793 4.004 20 30 DIEDHN C=CCC[C@H](NCCc1nn(C)c2ccccc12)c1ccco1 ZINC000560548847 332357768 /nfs/dbraw/zinc/35/77/68/332357768.db2.gz CWGNSOOQNQPXSH-KRWDZBQOSA-N 0 3 309.413 4.006 20 30 DIEDHN C=CCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000560572778 332362793 /nfs/dbraw/zinc/36/27/93/332362793.db2.gz BXLKPTDBHSSCJG-HXUWFJFHSA-N 0 3 306.409 4.364 20 30 DIEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237749450 332388321 /nfs/dbraw/zinc/38/83/21/332388321.db2.gz LLAZBUHYKAHKDL-UHFFFAOYSA-N 0 3 308.425 4.276 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000153541174 332389747 /nfs/dbraw/zinc/38/97/47/332389747.db2.gz PTIAKGPHGCCRFN-RDTXWAMCSA-N 0 3 312.438 4.376 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000561159406 332418363 /nfs/dbraw/zinc/41/83/63/332418363.db2.gz DPJCAUJDSPJHHL-LEWJYISDSA-N 0 3 313.404 4.084 20 30 DIEDHN CCc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000171757319 332651264 /nfs/dbraw/zinc/65/12/64/332651264.db2.gz LQBKVLVTISFACG-CYBMUJFWSA-N 0 3 300.427 4.064 20 30 DIEDHN C=CCC[C@H](NC[C@H](C)Oc1ccccc1OC)c1ccco1 ZINC000570470776 332759385 /nfs/dbraw/zinc/75/93/85/332759385.db2.gz VRHPOAOFUDMIOI-HOTGVXAUSA-N 0 3 315.413 4.353 20 30 DIEDHN N#Cc1ccc(CNCCc2ccccc2F)c(C(F)(F)F)c1 ZINC000570488170 332761647 /nfs/dbraw/zinc/76/16/47/332761647.db2.gz OGSZSINGMJSXDS-UHFFFAOYSA-N 0 3 322.305 4.048 20 30 DIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(OC(F)F)c1 ZINC000179578354 333025424 /nfs/dbraw/zinc/02/54/24/333025424.db2.gz YCGNTNKOROFIJT-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN CCc1ccc([C@@H]2C[C@H](C)CCN2CCCSCC#N)o1 ZINC000466742852 333082137 /nfs/dbraw/zinc/08/21/37/333082137.db2.gz HNYPNZUIOKFXND-ZBFHGGJFSA-N 0 3 306.475 4.262 20 30 DIEDHN COc1cc([C@@H](C)NCCCC#N)ccc1OCc1ccccc1 ZINC000179711921 333154666 /nfs/dbraw/zinc/15/46/66/333154666.db2.gz FQXHOEIGKABNHC-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN N#CCOc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180548918 333162916 /nfs/dbraw/zinc/16/29/16/333162916.db2.gz KZDNNLYWPYIPSI-GOSISDBHSA-N 0 3 312.800 4.019 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180554549 333163102 /nfs/dbraw/zinc/16/31/02/333163102.db2.gz NEYDRJOWCZCLRI-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN CCc1ccc([C@@H](CC)NCc2ccc(OCC#N)cc2)cc1 ZINC000180552742 333163152 /nfs/dbraw/zinc/16/31/52/333163152.db2.gz KNIDMFHUBYYBKQ-HXUWFJFHSA-N 0 3 308.425 4.392 20 30 DIEDHN C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642880 333170994 /nfs/dbraw/zinc/17/09/94/333170994.db2.gz SEZDQEMYEXEULO-HNAYVOBHSA-N 0 3 322.408 4.153 20 30 DIEDHN N#CCC1(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000430735994 335126692 /nfs/dbraw/zinc/12/66/92/335126692.db2.gz BPFLJAHLINRFNS-HNNXBMFYSA-N 0 3 308.347 4.440 20 30 DIEDHN N#CCC1(CNCc2cccc(OCc3ccccc3)c2)CC1 ZINC000309653697 333185877 /nfs/dbraw/zinc/18/58/77/333185877.db2.gz AUSZLRFSUBCKFA-UHFFFAOYSA-N 0 3 306.409 4.049 20 30 DIEDHN COc1ccc(-c2nc(C)c([C@@H](C)NCCCC#N)s2)cc1 ZINC000184088291 333191914 /nfs/dbraw/zinc/19/19/14/333191914.db2.gz RXNUGCIEMDYXIT-GFCCVEGCSA-N 0 3 315.442 4.082 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779573 333213787 /nfs/dbraw/zinc/21/37/87/333213787.db2.gz BQYVOBKJIPYHLD-MFKMUULPSA-N 0 3 300.299 4.016 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882869 333215598 /nfs/dbraw/zinc/21/55/98/333215598.db2.gz FHVTWJMFYALRPX-WBVHZDCISA-N 0 3 307.397 4.046 20 30 DIEDHN CCN(CCOc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621242 333270698 /nfs/dbraw/zinc/27/06/98/333270698.db2.gz UMFMCLDDUWVBLE-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN CCCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000463280683 333369170 /nfs/dbraw/zinc/36/91/70/333369170.db2.gz ISOZOGKYPKPEQO-ZMSDIMECSA-N 0 3 316.445 4.217 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1cccnc1)C1CC1 ZINC000525833914 333437446 /nfs/dbraw/zinc/43/74/46/333437446.db2.gz TWOIFSHRYOTQRQ-IBGZPJMESA-N 0 3 305.425 4.124 20 30 DIEDHN N#CCCC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000570959147 333466349 /nfs/dbraw/zinc/46/63/49/333466349.db2.gz XMZNQGIZYHLDOX-UHFFFAOYSA-N 0 3 313.832 4.404 20 30 DIEDHN CC1CCC(N2CCN(CCC3(C#N)CCCCC3)CC2)CC1 ZINC000411271534 333648154 /nfs/dbraw/zinc/64/81/54/333648154.db2.gz LMQUKEGPWWUQLL-UHFFFAOYSA-N 0 3 317.521 4.047 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCc2c1cccc2O ZINC000571137909 333668186 /nfs/dbraw/zinc/66/81/86/333668186.db2.gz JKMFDLPQPDJRKW-WOJBJXKFSA-N 0 3 318.420 4.308 20 30 DIEDHN C[C@@H](CCC#N)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411717998 333703567 /nfs/dbraw/zinc/70/35/67/333703567.db2.gz JWKVDYBKKJFCLI-NHYWBVRUSA-N 0 3 312.335 4.318 20 30 DIEDHN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCc2nc(C#N)cs2)C1 ZINC000414508997 334001768 /nfs/dbraw/zinc/00/17/68/334001768.db2.gz DPZNVGHWSYWBRB-IMJJTQAJSA-N 0 3 311.454 4.077 20 30 DIEDHN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271523523 334024361 /nfs/dbraw/zinc/02/43/61/334024361.db2.gz VFEKUBBEOPDPSF-JKSUJKDBSA-N 0 3 324.424 4.399 20 30 DIEDHN Cc1ccccc1[C@@H](NCc1ccc(OCC#N)cc1)C(C)C ZINC000271669072 334025451 /nfs/dbraw/zinc/02/54/51/334025451.db2.gz IBNFFGQBJXJVGI-FQEVSTJZSA-N 0 3 308.425 4.384 20 30 DIEDHN C[C@H](NCCCC#N)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000273167600 334043992 /nfs/dbraw/zinc/04/39/92/334043992.db2.gz BDMVBCHXSWKAAY-LBPRGKRZSA-N 0 3 315.398 4.278 20 30 DIEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCCCC(C)(C)C#N ZINC000277830733 334091306 /nfs/dbraw/zinc/09/13/06/334091306.db2.gz WCOWTVFPGHZRDC-NYHFZMIOSA-N 0 3 320.502 4.137 20 30 DIEDHN N#CCSCCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000280253909 334115746 /nfs/dbraw/zinc/11/57/46/334115746.db2.gz OTNPHFXUOFWDKM-UHFFFAOYSA-N 0 3 306.862 4.076 20 30 DIEDHN N#CC1(CCCN2CCC[C@@H]2c2cccc(F)c2)CCOCC1 ZINC000281901020 334129499 /nfs/dbraw/zinc/12/94/99/334129499.db2.gz FPYVNQYLOIMFHV-GOSISDBHSA-N 0 3 316.420 4.063 20 30 DIEDHN C[C@H](c1ccccc1Cl)N(C)CCCC1(C#N)CCOCC1 ZINC000282084496 334131192 /nfs/dbraw/zinc/13/11/92/334131192.db2.gz UWCVPKGTLQEPBW-OAHLLOKOSA-N 0 3 320.864 4.433 20 30 DIEDHN CC[C@@H](NCCCC1(C#N)CCOCC1)c1cc(F)ccc1F ZINC000282101353 334131413 /nfs/dbraw/zinc/13/14/13/334131413.db2.gz WBYDOGOSXQPWMG-QGZVFWFLSA-N 0 3 322.399 4.106 20 30 DIEDHN CCOc1ccc([C@H](COC)NCCCCC(C)(C)C#N)cc1 ZINC000283969228 334142024 /nfs/dbraw/zinc/14/20/24/334142024.db2.gz CHCLNULZALVAIV-SFHVURJKSA-N 0 3 318.461 4.082 20 30 DIEDHN CC(C)(C#N)CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000290007028 334170341 /nfs/dbraw/zinc/17/03/41/334170341.db2.gz ZKIMLORHEZRPJI-UHFFFAOYSA-N 0 3 315.392 4.086 20 30 DIEDHN C[C@@H](NCCCCC#N)c1csc(-c2ccccc2F)n1 ZINC000291064258 334176072 /nfs/dbraw/zinc/17/60/72/334176072.db2.gz AMGAXGJPTYRCRH-GFCCVEGCSA-N 0 3 303.406 4.294 20 30 DIEDHN C=CCOc1cccc(CN[C@H]2CCCc3cc(N)ccc32)c1 ZINC000414920433 334180955 /nfs/dbraw/zinc/18/09/55/334180955.db2.gz XRMSWTJWMUXOGY-FQEVSTJZSA-N 0 3 308.425 4.001 20 30 DIEDHN C[C@H](c1cccs1)N(CCOCCC#N)Cc1ccccc1 ZINC000293293418 334196883 /nfs/dbraw/zinc/19/68/83/334196883.db2.gz ZCZBLQVEFPWGNN-MRXNPFEDSA-N 0 3 314.454 4.242 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833589 334202639 /nfs/dbraw/zinc/20/26/39/334202639.db2.gz WOXNQESZJMTREC-RCOXNQKVSA-N 0 3 320.436 4.133 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1O ZINC000340444261 334203009 /nfs/dbraw/zinc/20/30/09/334203009.db2.gz HRKMRJMYWFPNGY-QAPCUYQASA-N 0 3 324.424 4.487 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1O ZINC000340444262 334203163 /nfs/dbraw/zinc/20/31/63/334203163.db2.gz HRKMRJMYWFPNGY-YJBOKZPZSA-N 0 3 324.424 4.487 20 30 DIEDHN Cc1ncc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449707 334205454 /nfs/dbraw/zinc/20/54/54/334205454.db2.gz WAAMBFIHWGCRIC-BEFAXECRSA-N 0 3 308.429 4.179 20 30 DIEDHN Cc1ccc(-c2nc(CN[C@H]3CC[C@@H](CC#N)C3)cs2)cc1 ZINC000295057018 334216514 /nfs/dbraw/zinc/21/65/14/334216514.db2.gz NXBKXYTUAPLAFR-HOCLYGCPSA-N 0 3 311.454 4.291 20 30 DIEDHN N#CCCn1cc(CNCC2=CCCCC2)c(-c2ccccc2)n1 ZINC000295122703 334219105 /nfs/dbraw/zinc/21/91/05/334219105.db2.gz NKSHPGNZYUNYMC-UHFFFAOYSA-N 0 3 320.440 4.054 20 30 DIEDHN CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000299417467 334255261 /nfs/dbraw/zinc/25/52/61/334255261.db2.gz QWUYKMVKISSUIU-FQEVSTJZSA-N 0 3 307.441 4.277 20 30 DIEDHN CCCCOc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000299731368 334257758 /nfs/dbraw/zinc/25/77/58/334257758.db2.gz XDEZDNWVJIWPFX-LSDHHAIUSA-N 0 3 304.434 4.217 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000048367612 334279535 /nfs/dbraw/zinc/27/95/35/334279535.db2.gz PFKDQTSFEZOLGX-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(SC(C)C)cc2)n1 ZINC000048789424 334299499 /nfs/dbraw/zinc/29/94/99/334299499.db2.gz XTFJJICIVVKXFP-CQSZACIVSA-N 0 3 316.451 4.442 20 30 DIEDHN C[C@H](c1cccs1)N(C)CCCOc1cccc(C#N)c1 ZINC000049726765 334356782 /nfs/dbraw/zinc/35/67/82/334356782.db2.gz WJQPVPGRPHSPPN-CQSZACIVSA-N 0 3 300.427 4.082 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000341683691 334470004 /nfs/dbraw/zinc/47/00/04/334470004.db2.gz MVWTZARQKYIHJB-PMACEKPBSA-N 0 3 306.384 4.352 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2cccnc21 ZINC000341696223 334471195 /nfs/dbraw/zinc/47/11/95/334471195.db2.gz LSZNOKBDHPGPOA-HXUWFJFHSA-N 0 3 313.404 4.274 20 30 DIEDHN C=CCC[C@@H](NCc1ccnn1C)c1ccc(C(F)(F)F)cc1 ZINC000342199530 334521002 /nfs/dbraw/zinc/52/10/02/334521002.db2.gz IGOZEQICAJEMLZ-MRXNPFEDSA-N 0 3 323.362 4.236 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000342623360 334555186 /nfs/dbraw/zinc/55/51/86/334555186.db2.gz YNXVDMNJLVSURP-ZDUSSCGKSA-N 0 3 306.837 4.472 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2c(O)cccc21 ZINC000417370757 334764623 /nfs/dbraw/zinc/76/46/23/334764623.db2.gz STNBHPINGBTKNL-PMACEKPBSA-N 0 3 318.420 4.308 20 30 DIEDHN N#CCC[C@@H](NCc1cc(-n2ccnc2)cs1)c1ccccc1 ZINC000344298532 335238225 /nfs/dbraw/zinc/23/82/25/335238225.db2.gz FHCNBNDFDROIHX-GOSISDBHSA-N 0 3 322.437 4.068 20 30 DIEDHN C=C(CN[C@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000346774603 335439613 /nfs/dbraw/zinc/43/96/13/335439613.db2.gz FMIAPVWTFMSLPE-GOSISDBHSA-N 0 3 311.425 4.458 20 30 DIEDHN COc1cc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687296 335602478 /nfs/dbraw/zinc/60/24/78/335602478.db2.gz UBTCVHGMYAUDRB-LIRRHRJNSA-N 0 3 321.424 4.080 20 30 DIEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000093492063 335652865 /nfs/dbraw/zinc/65/28/65/335652865.db2.gz AXBGBXJXOHEBAZ-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN C=CCOc1cccc(CNC2(c3ccc(OC)cc3)CC2)c1 ZINC000520246987 335948729 /nfs/dbraw/zinc/94/87/29/335948729.db2.gz MVRHEEHEBDHPFY-UHFFFAOYSA-N 0 3 309.409 4.039 20 30 DIEDHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695800 336179220 /nfs/dbraw/zinc/17/92/20/336179220.db2.gz VAVBJGNHYZAWJL-NVXWUHKLSA-N 0 3 324.428 4.009 20 30 DIEDHN CCC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000352384539 336215591 /nfs/dbraw/zinc/21/55/91/336215591.db2.gz WRRCENHSMJHBRI-UHFFFAOYSA-N 0 3 322.456 4.086 20 30 DIEDHN Cc1cc([C@H](C)NCC2(CC#N)CC2)sc1Br ZINC000352704378 336231399 /nfs/dbraw/zinc/23/13/99/336231399.db2.gz JKVPSAQGOJJURZ-JTQLQIEISA-N 0 3 313.264 4.164 20 30 DIEDHN N#Cc1ccccc1CSCCN[C@H]1CCCc2occc21 ZINC000192749276 336260379 /nfs/dbraw/zinc/26/03/79/336260379.db2.gz HTMIBDQGGAYILI-KRWDZBQOSA-N 0 3 312.438 4.052 20 30 DIEDHN CSc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000192942133 336285445 /nfs/dbraw/zinc/28/54/45/336285445.db2.gz QEJKRNIYRKXLII-AWEZNQCLSA-N 0 3 312.438 4.162 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999259 336286778 /nfs/dbraw/zinc/28/67/78/336286778.db2.gz YBAWNDSAQAPDGH-FOIQADDNSA-N 0 3 324.424 4.399 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999222 336286784 /nfs/dbraw/zinc/28/67/84/336286784.db2.gz YBAWNDSAQAPDGH-YWZLYKJASA-N 0 3 324.424 4.399 20 30 DIEDHN C[C@@H](N[C@@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018594 336286993 /nfs/dbraw/zinc/28/69/93/336286993.db2.gz PNRYBXZKAMXTAR-RDTXWAMCSA-N 0 3 324.449 4.477 20 30 DIEDHN CN(C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000301225039 336295541 /nfs/dbraw/zinc/29/55/41/336295541.db2.gz CYSUYXSWMUULAB-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN CN1CCC[C@H](CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000301440157 336306942 /nfs/dbraw/zinc/30/69/42/336306942.db2.gz UADIMPCRMVWGID-QAPCUYQASA-N 0 3 311.454 4.115 20 30 DIEDHN C=C(C)CN1CCC(Nc2ncc(-c3ccccc3)s2)CC1 ZINC000301501145 336310718 /nfs/dbraw/zinc/31/07/18/336310718.db2.gz GCFVFUPMQWXSDA-UHFFFAOYSA-N 0 3 313.470 4.263 20 30 DIEDHN N#Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000301543597 336313708 /nfs/dbraw/zinc/31/37/08/336313708.db2.gz SRUQRWRWYSQRJZ-MRXNPFEDSA-N 0 3 315.417 4.008 20 30 DIEDHN C=CCC[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106391 336361113 /nfs/dbraw/zinc/36/11/13/336361113.db2.gz YDRSDOBNDCGMQT-IRXDYDNUSA-N 0 3 314.429 4.307 20 30 DIEDHN C=CCc1cc(CNCc2ccc(C)s2)cc(OC)c1OC ZINC000105478289 336387655 /nfs/dbraw/zinc/38/76/55/336387655.db2.gz USDGIRBHHXBIOR-UHFFFAOYSA-N 0 3 317.454 4.092 20 30 DIEDHN C=CCc1cc(CNCc2ccccc2C)cc(OC)c1OC ZINC000105478329 336387678 /nfs/dbraw/zinc/38/76/78/336387678.db2.gz BJHFNTBUCJQZTD-UHFFFAOYSA-N 0 3 311.425 4.031 20 30 DIEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410634 336416117 /nfs/dbraw/zinc/41/61/17/336416117.db2.gz IJRRJVJRDVLMIV-VQTJNVASSA-N 0 3 306.409 4.295 20 30 DIEDHN Cc1cc(F)ccc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000353415740 336416457 /nfs/dbraw/zinc/41/64/57/336416457.db2.gz IJCRPIHQYFDWKF-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCC[C@@H](NCc1cccc(-n2ccnc2)c1)c1ccco1 ZINC000353521590 336422374 /nfs/dbraw/zinc/42/23/74/336422374.db2.gz QILNPEVOCHDHHH-GOSISDBHSA-N 0 3 307.397 4.262 20 30 DIEDHN Cc1cc2cc(CN[C@H]3CCc4ccc(C#N)cc43)ccc2[nH]1 ZINC000353622993 336429527 /nfs/dbraw/zinc/42/95/27/336429527.db2.gz DRDPHBMTPRSIKQ-FQEVSTJZSA-N 0 3 301.393 4.125 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(Cl)cc1 ZINC000353630777 336430340 /nfs/dbraw/zinc/43/03/40/336430340.db2.gz NRKWZWFGEKQWGS-KRWDZBQOSA-N 0 3 314.816 4.461 20 30 DIEDHN N#CCCC[C@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000353903042 336447025 /nfs/dbraw/zinc/44/70/25/336447025.db2.gz VJCPCXWJDKBGEA-SFHVURJKSA-N 0 3 300.352 4.490 20 30 DIEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353910873 336447346 /nfs/dbraw/zinc/44/73/46/336447346.db2.gz ALCQQMUEQPEVIG-IBGZPJMESA-N 0 3 323.396 4.428 20 30 DIEDHN CC1(C)C[C@@H](NCCCC#N)c2cc(Br)ccc21 ZINC000358995543 336651889 /nfs/dbraw/zinc/65/18/89/336651889.db2.gz ZPJPDVCZHADXBA-CQSZACIVSA-N 0 3 307.235 4.065 20 30 DIEDHN C[C@H](NCC1=CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691884 336995215 /nfs/dbraw/zinc/99/52/15/336995215.db2.gz FGQWNEOVLWFEBR-INIZCTEOSA-N 0 3 318.420 4.223 20 30 DIEDHN CC(C)(C#N)CCCCN1CCC(F)(c2cccnc2)CC1 ZINC000375336306 337008289 /nfs/dbraw/zinc/00/82/89/337008289.db2.gz NDAMOFVSTNTMHR-UHFFFAOYSA-N 0 3 303.425 4.062 20 30 DIEDHN C=C(C)[C@@H](N[C@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613117 337038037 /nfs/dbraw/zinc/03/80/37/337038037.db2.gz YIRGMVHWNLOMDR-DLBZAZTESA-N 0 3 307.384 4.131 20 30 DIEDHN C=C(C)[C@H](N[C@@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613120 337038103 /nfs/dbraw/zinc/03/81/03/337038103.db2.gz YIRGMVHWNLOMDR-SJORKVTESA-N 0 3 307.384 4.131 20 30 DIEDHN N#CCCCCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000377510466 337053971 /nfs/dbraw/zinc/05/39/71/337053971.db2.gz GFGNCUCSMHYRLW-OAHLLOKOSA-N 0 3 307.235 4.280 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377579213 337055511 /nfs/dbraw/zinc/05/55/11/337055511.db2.gz IJTBRELVRDYESM-CDHQVMDDSA-N 0 3 306.409 4.129 20 30 DIEDHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000193872092 337079647 /nfs/dbraw/zinc/07/96/47/337079647.db2.gz AGTXGEURYQJTHI-GFCCVEGCSA-N 0 3 313.470 4.472 20 30 DIEDHN Cc1ccccc1OCCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507638 337131786 /nfs/dbraw/zinc/13/17/86/337131786.db2.gz RZENANSEMPCPGE-HNNXBMFYSA-N 0 3 312.388 4.126 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000177200533 337154650 /nfs/dbraw/zinc/15/46/50/337154650.db2.gz OPZFXCDOUBLHLP-HZPDHXFCSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccsc1 ZINC000177823051 337157647 /nfs/dbraw/zinc/15/76/47/337157647.db2.gz CDVDDNJPTPZMBL-ZDUSSCGKSA-N 0 3 302.468 4.204 20 30 DIEDHN Cc1ccc([C@H](C)NCCSCc2ccccc2C#N)o1 ZINC000177823394 337157676 /nfs/dbraw/zinc/15/76/76/337157676.db2.gz WTZOLJOZPMMTFC-AWEZNQCLSA-N 0 3 300.427 4.044 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@@H](CC)C1 ZINC000582991692 337223116 /nfs/dbraw/zinc/22/31/16/337223116.db2.gz AVKRUKCGTKEOEL-HKUYNNGSSA-N 0 3 319.493 4.047 20 30 DIEDHN N#CCC[C@H](NCCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000193305335 337309647 /nfs/dbraw/zinc/30/96/47/337309647.db2.gz HPUOUUMYTMRKJF-FQEVSTJZSA-N 0 3 320.436 4.189 20 30 DIEDHN N#Cc1csc(CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000123736258 337401039 /nfs/dbraw/zinc/40/10/39/337401039.db2.gz OLRCMKNPIUWUPW-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@H]2NCc2ccc(C#N)c(F)c2)cc1 ZINC000421371451 337533230 /nfs/dbraw/zinc/53/32/30/337533230.db2.gz XUOIQSWWPFJKBZ-UXHICEINSA-N 0 3 324.399 4.016 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC2 ZINC000572170999 337594817 /nfs/dbraw/zinc/59/48/17/337594817.db2.gz SRAKUOOEOXEFPG-KRWDZBQOSA-N 0 3 316.326 4.354 20 30 DIEDHN C=C(CN[C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000268799971 337635346 /nfs/dbraw/zinc/63/53/46/337635346.db2.gz GAKRGKZKNWRGAS-OAHLLOKOSA-N 0 3 324.424 4.018 20 30 DIEDHN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428213 337717178 /nfs/dbraw/zinc/71/71/78/337717178.db2.gz GFSHXIGRIJYOOO-FZKQIMNGSA-N 0 3 321.424 4.093 20 30 DIEDHN N#Cc1ccc(C2(NCc3ccc4cc[nH]c4c3)CCC2)cc1 ZINC000527730107 337759338 /nfs/dbraw/zinc/75/93/38/337759338.db2.gz ZKHQMXWXSODXHF-UHFFFAOYSA-N 0 3 301.393 4.209 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000527935321 337777013 /nfs/dbraw/zinc/77/70/13/337777013.db2.gz LSDKBKWHFITIOL-HNNXBMFYSA-N 0 3 324.399 4.302 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3cccc(F)c3)s2)C1 ZINC000424191777 337805107 /nfs/dbraw/zinc/80/51/07/337805107.db2.gz HZTURTYULZNISE-SWLSCSKDSA-N 0 3 300.402 4.336 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000424326455 337821301 /nfs/dbraw/zinc/82/13/01/337821301.db2.gz LTKDBZXSLLMBAI-LJHODMEESA-N 0 3 310.441 4.061 20 30 DIEDHN C[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326005 337821345 /nfs/dbraw/zinc/82/13/45/337821345.db2.gz LPUFPHZCYKOXKJ-NWJSVONSSA-N 0 3 319.246 4.279 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000424335487 337822709 /nfs/dbraw/zinc/82/27/09/337822709.db2.gz WTDQBIBGSWVTSJ-DBVUQKKJSA-N 0 3 308.400 4.391 20 30 DIEDHN C=C(C)COc1cc(CNCc2sccc2C)ccc1OC ZINC000057967548 337867648 /nfs/dbraw/zinc/86/76/48/337867648.db2.gz CWKZXZXEFDBQOD-UHFFFAOYSA-N 0 3 317.454 4.310 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1CCC1 ZINC000121384801 337890964 /nfs/dbraw/zinc/89/09/64/337890964.db2.gz VUFAQIOHSZAQRC-HXUWFJFHSA-N 0 3 306.409 4.198 20 30 DIEDHN Cc1ccc(SCCN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537410534 337934043 /nfs/dbraw/zinc/93/40/43/337934043.db2.gz JNXPJRKPNPMVKE-CQSZACIVSA-N 0 3 314.429 4.449 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000537869394 337963935 /nfs/dbraw/zinc/96/39/35/337963935.db2.gz PLOJPYXXZOLIMH-FPOVZHCZSA-N 0 3 323.436 4.119 20 30 DIEDHN N#CC(C(=O)c1cc2sccc2s1)c1nc2ccccc2[nH]1 ZINC000516074920 338003935 /nfs/dbraw/zinc/00/39/35/338003935.db2.gz KGQFWCOYMYZWCA-VIFPVBQESA-N 0 3 323.402 4.329 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)c(F)c1 ZINC000516517134 338014286 /nfs/dbraw/zinc/01/42/86/338014286.db2.gz OMVGLKIVRVYLIX-DJKXOVBDSA-N 0 3 324.399 4.268 20 30 DIEDHN C=CCOc1cccc(CN(C)Cc2cccc3[nH]ccc32)c1 ZINC000426405351 338031014 /nfs/dbraw/zinc/03/10/14/338031014.db2.gz QODXOGGBKQREAL-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN C=CCN(C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000428391419 338049952 /nfs/dbraw/zinc/04/99/52/338049952.db2.gz RFPZGDUVMLYEJE-UHFFFAOYSA-N 0 3 308.141 4.086 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCCC12CCCC2 ZINC000428575617 338056598 /nfs/dbraw/zinc/05/65/98/338056598.db2.gz QAQZVVYPFGFXCN-OALUTQOASA-N 0 3 324.468 4.378 20 30 DIEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCCCC(C)(C)C#N ZINC000429256069 338074912 /nfs/dbraw/zinc/07/49/12/338074912.db2.gz OWXHCYZGVWSMIS-MRXNPFEDSA-N 0 3 317.452 4.056 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCC[C@H]1CC ZINC000429783208 338089837 /nfs/dbraw/zinc/08/98/37/338089837.db2.gz IAQSBWZDNLHHDI-CABCVRRESA-N 0 3 318.486 4.072 20 30 DIEDHN N#CCC1(CN[C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000430742610 338113078 /nfs/dbraw/zinc/11/30/78/338113078.db2.gz PJNRQVAJLDPENO-HNNXBMFYSA-N 0 3 319.246 4.110 20 30 DIEDHN N#CCC1(CN[C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000430727648 338112571 /nfs/dbraw/zinc/11/25/71/338112571.db2.gz HTKUTZZIJKGFOA-LJQANCHMSA-N 0 3 308.400 4.393 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCSC2(CCCCC2)C1 ZINC000430766896 338114339 /nfs/dbraw/zinc/11/43/39/338114339.db2.gz IDEHJYGXCIDPPN-HNNXBMFYSA-N 0 3 300.471 4.371 20 30 DIEDHN C[C@H](NCCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000432450571 338156695 /nfs/dbraw/zinc/15/66/95/338156695.db2.gz XPXZEWMLTOLTMK-HLIUYOAVSA-N 0 3 318.436 4.332 20 30 DIEDHN CCc1ccc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433101588 338182012 /nfs/dbraw/zinc/18/20/12/338182012.db2.gz DWGIMWJBRKFJAE-JXFKEZNVSA-N 0 3 320.436 4.199 20 30 DIEDHN CCCN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433219852 338186424 /nfs/dbraw/zinc/18/64/24/338186424.db2.gz KOSQSDLBBCZNDA-HXUWFJFHSA-N 0 3 320.436 4.198 20 30 DIEDHN CC(C)CCC[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433222704 338186477 /nfs/dbraw/zinc/18/64/77/338186477.db2.gz WKLBORNRJOPVSM-WMZOPIPTSA-N 0 3 300.446 4.090 20 30 DIEDHN CC(C)N(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433227355 338186679 /nfs/dbraw/zinc/18/66/79/338186679.db2.gz REQFZNUVQHFOBL-FQEVSTJZSA-N 0 3 320.436 4.196 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000433231563 338186944 /nfs/dbraw/zinc/18/69/44/338186944.db2.gz KOEBXVVUUGPVIJ-PMACEKPBSA-N 0 3 318.420 4.026 20 30 DIEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433243607 338187665 /nfs/dbraw/zinc/18/76/65/338187665.db2.gz IERYGYKBXQHSLZ-UHFFFAOYSA-N 0 3 302.780 4.177 20 30 DIEDHN C[C@@H](c1ccco1)N(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433302494 338190447 /nfs/dbraw/zinc/19/04/47/338190447.db2.gz IPPBNWAUAPMYLS-DOTOQJQBSA-N 0 3 322.408 4.104 20 30 DIEDHN Cc1cccc(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433344620 338193518 /nfs/dbraw/zinc/19/35/18/338193518.db2.gz SOOSYYARFWARDW-GOSISDBHSA-N 0 3 320.436 4.119 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000433344781 338193611 /nfs/dbraw/zinc/19/36/11/338193611.db2.gz UMBWGPIYYJEWNG-IBGZPJMESA-N 0 3 324.468 4.330 20 30 DIEDHN CCCC[C@@H]1CCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433352221 338193635 /nfs/dbraw/zinc/19/36/35/338193635.db2.gz LYWLRJOREUSFMB-QRVBRYPASA-N 0 3 312.457 4.234 20 30 DIEDHN CCC[C@@]1(C)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375803 338194157 /nfs/dbraw/zinc/19/41/57/338194157.db2.gz QQQSNHIZIATVQM-QUCCMNQESA-N 0 3 312.457 4.188 20 30 DIEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000433376189 338194161 /nfs/dbraw/zinc/19/41/61/338194161.db2.gz RQPSAWFRMFZUHC-FUHIMQAGSA-N 0 3 320.436 4.067 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)c(Cl)c1Cl ZINC000435738793 338247127 /nfs/dbraw/zinc/24/71/27/338247127.db2.gz CJZXLRUAKKADLQ-ABAIWWIYSA-N 0 3 318.219 4.203 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(F)c(Cl)c1Cl ZINC000435738796 338247229 /nfs/dbraw/zinc/24/72/29/338247229.db2.gz CJZXLRUAKKADLQ-XHDPSFHLSA-N 0 3 318.219 4.203 20 30 DIEDHN C=CCOc1cccc(CNCc2cccc(CSC)c2)c1 ZINC000438359063 338341165 /nfs/dbraw/zinc/34/11/65/338341165.db2.gz RNQDNKMWLJQJBY-UHFFFAOYSA-N 0 3 313.466 4.404 20 30 DIEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)c(Cl)c1 ZINC000439458481 338370159 /nfs/dbraw/zinc/37/01/59/338370159.db2.gz DODIHHVHHBLLQW-QGZVFWFLSA-N 0 3 318.848 4.135 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542955 338389793 /nfs/dbraw/zinc/38/97/93/338389793.db2.gz IRKVOLYVVFBMGY-MRCYXTNMSA-N 0 3 324.468 4.289 20 30 DIEDHN C=CCC[C@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440626469 338393039 /nfs/dbraw/zinc/39/30/39/338393039.db2.gz RBTJBGCPKMDAOT-AWEZNQCLSA-N 0 3 309.335 4.226 20 30 DIEDHN CCN(CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000442635401 338426312 /nfs/dbraw/zinc/42/63/12/338426312.db2.gz PMVKYSGKQDRMHX-RVKKMQEKSA-N 0 3 319.880 4.005 20 30 DIEDHN C[C@H](NCC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000442867775 338436316 /nfs/dbraw/zinc/43/63/16/338436316.db2.gz MMYZKFNIQHGJJJ-WHXUTIOJSA-N 0 3 317.380 4.142 20 30 DIEDHN C=CCSCCN[C@H]1CCCSc2ccc(OC)cc21 ZINC000446890865 338539887 /nfs/dbraw/zinc/53/98/87/338539887.db2.gz QFOCXTGEZDJUAX-HNNXBMFYSA-N 0 3 309.500 4.131 20 30 DIEDHN CCCCn1cc(CN[C@@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447576333 338558333 /nfs/dbraw/zinc/55/83/33/338558333.db2.gz XXRSSRHLSXMPJY-IBGZPJMESA-N 0 3 310.445 4.104 20 30 DIEDHN CCCCCn1cc(CN[C@@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447588198 338559824 /nfs/dbraw/zinc/55/98/24/338559824.db2.gz STTUWBPMDXYKPD-FQEVSTJZSA-N 0 3 324.472 4.494 20 30 DIEDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(C#N)cc1 ZINC000447603955 338561843 /nfs/dbraw/zinc/56/18/43/338561843.db2.gz ZQKFYRLKSVQBKQ-KRWDZBQOSA-N 0 3 309.369 4.016 20 30 DIEDHN C=CCCCC[C@H](C)N[C@H](c1nnc2ccccn21)C(C)C ZINC000449224105 338604011 /nfs/dbraw/zinc/60/40/11/338604011.db2.gz ZSXIRLAVYWMDDH-RDJZCZTQSA-N 0 3 300.450 4.151 20 30 DIEDHN COc1cc(F)cc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000449338719 338614786 /nfs/dbraw/zinc/61/47/86/338614786.db2.gz HNFDGFKYAXBMCA-IBGZPJMESA-N 0 3 312.388 4.359 20 30 DIEDHN CC(C)Oc1ccc2nccc(N3CCC(C)(C#N)CC3)c2c1 ZINC000450436489 338684088 /nfs/dbraw/zinc/68/40/88/338684088.db2.gz RGGGVPZNXSOSRZ-UHFFFAOYSA-N 0 3 309.413 4.152 20 30 DIEDHN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867948 338746698 /nfs/dbraw/zinc/74/66/98/338746698.db2.gz LHUKEVVQHYFXTK-KXBFYZLASA-N 0 3 305.425 4.180 20 30 DIEDHN N#CCCCN[C@@H]1CCCCc2ccc(Br)cc21 ZINC000453189193 338804973 /nfs/dbraw/zinc/80/49/73/338804973.db2.gz CKPQCGDFFYCBGS-OAHLLOKOSA-N 0 3 307.235 4.110 20 30 DIEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)c2sccc21 ZINC000453367585 338832641 /nfs/dbraw/zinc/83/26/41/338832641.db2.gz DIMTWTYECZUZPV-BZNIZROVSA-N 0 3 300.402 4.487 20 30 DIEDHN CC(C)(CC#N)CNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000459728959 339044641 /nfs/dbraw/zinc/04/46/41/339044641.db2.gz JQSYYNGDJDCNLX-UHFFFAOYSA-N 0 3 319.861 4.493 20 30 DIEDHN CC#CCCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000462332308 339076081 /nfs/dbraw/zinc/07/60/81/339076081.db2.gz GBSGDTYHBPCDOQ-KRWDZBQOSA-N 0 3 309.457 4.210 20 30 DIEDHN CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000463225890 339110522 /nfs/dbraw/zinc/11/05/22/339110522.db2.gz ROVSSNVXJLJVPX-FQEVSTJZSA-N 0 3 320.436 4.225 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000463295301 339113746 /nfs/dbraw/zinc/11/37/46/339113746.db2.gz ZODHUJHRKVNQOH-UYAOXDASSA-N 0 3 320.436 4.438 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)CC(F)(F)F)cc1Cl ZINC000463708874 339124300 /nfs/dbraw/zinc/12/43/00/339124300.db2.gz JMSSVYUVGHWFOM-JTQLQIEISA-N 0 3 307.743 4.335 20 30 DIEDHN CCCN(CCc1cccs1)Cc1ccc(C#N)cc1OC ZINC000464585883 339146358 /nfs/dbraw/zinc/14/63/58/339146358.db2.gz HGXXMCFQBVWQDI-UHFFFAOYSA-N 0 3 314.454 4.083 20 30 DIEDHN CCCN(CCc1cccs1)Cc1ccc(C#N)cc1F ZINC000464589321 339146473 /nfs/dbraw/zinc/14/64/73/339146473.db2.gz UZAHFHRMQPUNEF-UHFFFAOYSA-N 0 3 302.418 4.214 20 30 DIEDHN C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000464855865 339158248 /nfs/dbraw/zinc/15/82/48/339158248.db2.gz HWIVBGSJVGHEQU-QAPCUYQASA-N 0 3 310.397 4.003 20 30 DIEDHN C=CC[C@@H](CC)NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000466389315 339202003 /nfs/dbraw/zinc/20/20/03/339202003.db2.gz PZGSHOBRGQKNJQ-GFCCVEGCSA-N 0 3 311.351 4.036 20 30 DIEDHN C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191912 339227809 /nfs/dbraw/zinc/22/78/09/339227809.db2.gz RMZIJBZTJIMRMS-HOCLYGCPSA-N 0 3 316.420 4.230 20 30 DIEDHN C=CCCN(C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000467382379 339235703 /nfs/dbraw/zinc/23/57/03/339235703.db2.gz AJWOGRZDWZPPDY-UHFFFAOYSA-N 0 3 320.177 4.058 20 30 DIEDHN C=CCC(CC=C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000467840724 339247467 /nfs/dbraw/zinc/24/74/67/339247467.db2.gz WLLHYDILWLTIRU-MRXNPFEDSA-N 0 3 314.473 4.000 20 30 DIEDHN C=CCOc1ccc(CN2CCCC[C@H](COC)C2)cc1Cl ZINC000468696404 339268940 /nfs/dbraw/zinc/26/89/40/339268940.db2.gz LYBJJIWEPRPBRC-INIZCTEOSA-N 0 3 323.864 4.153 20 30 DIEDHN C=CCOc1ccc(CN2CCCC[C@@H](COC)C2)cc1Cl ZINC000468696405 339269006 /nfs/dbraw/zinc/26/90/06/339269006.db2.gz LYBJJIWEPRPBRC-MRXNPFEDSA-N 0 3 323.864 4.153 20 30 DIEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000469817954 339302019 /nfs/dbraw/zinc/30/20/19/339302019.db2.gz DLILISVLXGQKFT-MNOVXSKESA-N 0 3 313.228 4.453 20 30 DIEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C#N)cc1 ZINC000470169058 339312536 /nfs/dbraw/zinc/31/25/36/339312536.db2.gz BCFFXGLDLUWYEM-XNTDXEJSSA-N 0 3 321.380 4.002 20 30 DIEDHN C=CCOCCCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000470720936 339326084 /nfs/dbraw/zinc/32/60/84/339326084.db2.gz APFTVRODKZEJOC-MRXNPFEDSA-N 0 3 324.262 4.179 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000472137996 339364022 /nfs/dbraw/zinc/36/40/22/339364022.db2.gz ICJXLVFQCBAMPR-CHWSQXEVSA-N 0 3 323.421 4.338 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000472137898 339364113 /nfs/dbraw/zinc/36/41/13/339364113.db2.gz GSKYFIOFSQVBJD-RBUKOAKNSA-N 0 3 306.409 4.047 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000472143013 339364230 /nfs/dbraw/zinc/36/42/30/339364230.db2.gz WAXUSWNZZNUSMA-HKUYNNGSSA-N 0 3 306.409 4.047 20 30 DIEDHN C=CCOc1ccc(CNCc2c(C)c3ccccc3n2C)cc1 ZINC000475204275 339441552 /nfs/dbraw/zinc/44/15/52/339441552.db2.gz OOLPDIWASQOKGX-UHFFFAOYSA-N 0 3 320.436 4.341 20 30 DIEDHN C=C(C)[C@H](N[C@H]1CCO[C@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423420 339534401 /nfs/dbraw/zinc/53/44/01/339534401.db2.gz PJKFYQCIHCAXRR-WBAXXEDZSA-N 0 3 309.400 4.375 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)cc1Br)C(C)(C)C ZINC000481215719 339598622 /nfs/dbraw/zinc/59/86/22/339598622.db2.gz ZJBXSTLSLQSXIA-CQSZACIVSA-N 0 3 309.251 4.235 20 30 DIEDHN C=CC1CCN(Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000481988444 339618613 /nfs/dbraw/zinc/61/86/13/339618613.db2.gz FZIUZSUPYOMIDY-UHFFFAOYSA-N 0 3 308.425 4.155 20 30 DIEDHN Cc1ccccc1[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000483390890 339663735 /nfs/dbraw/zinc/66/37/35/339663735.db2.gz HCSVRJWKVMUCKN-KRWDZBQOSA-N 0 3 320.436 4.471 20 30 DIEDHN CC(C)(C#N)c1ccccc1CNC1(c2ccc(F)cc2)CC1 ZINC000486798554 339734852 /nfs/dbraw/zinc/73/48/52/339734852.db2.gz OBZNQFWAIXIHJF-UHFFFAOYSA-N 0 3 308.400 4.406 20 30 DIEDHN CCCCOC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487434748 339753963 /nfs/dbraw/zinc/75/39/63/339753963.db2.gz VHMCIRAXPWSQOH-UHFFFAOYSA-N 0 3 314.473 4.269 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000488067144 339769699 /nfs/dbraw/zinc/76/96/99/339769699.db2.gz PORWUUWFQHGJIY-ZDUSSCGKSA-N 0 3 307.422 4.327 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(C#N)c(C)c2)cc1OC ZINC000488105574 339770453 /nfs/dbraw/zinc/77/04/53/339770453.db2.gz CZOIZJCNCUDZMF-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN CC(C#N)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000501331256 340078710 /nfs/dbraw/zinc/07/87/10/340078710.db2.gz KACWYAQUQXIXBV-HNNXBMFYSA-N 0 3 312.457 4.072 20 30 DIEDHN CN(CCOc1cccc(C#N)c1)Cc1csc2ccccc12 ZINC000502003032 340092550 /nfs/dbraw/zinc/09/25/50/340092550.db2.gz RELCOMQNFILNBX-UHFFFAOYSA-N 0 3 322.433 4.284 20 30 DIEDHN CC[C@@H]1C[C@]1(NCc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598029 340108849 /nfs/dbraw/zinc/10/88/49/340108849.db2.gz YNHCEICDNINAEV-YLJYHZDGSA-N 0 3 308.400 4.421 20 30 DIEDHN N#CCCCNC1(c2ccc(Br)cc2)CCCC1 ZINC000505474336 340169244 /nfs/dbraw/zinc/16/92/44/340169244.db2.gz OHEHGLXEFGEMTR-UHFFFAOYSA-N 0 3 307.235 4.112 20 30 DIEDHN Cc1ccc(OCCCN(C)Cc2cccc(C#N)c2)cc1C ZINC000506123107 340186250 /nfs/dbraw/zinc/18/62/50/340186250.db2.gz QLDPVQRJMCYKDP-UHFFFAOYSA-N 0 3 308.425 4.076 20 30 DIEDHN Cc1ccccc1[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000507184663 340211757 /nfs/dbraw/zinc/21/17/57/340211757.db2.gz WMJWUUJGIVSBGU-QGZVFWFLSA-N 0 3 315.420 4.109 20 30 DIEDHN Cc1ccccc1C(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000508064346 340238644 /nfs/dbraw/zinc/23/86/44/340238644.db2.gz RVUGWJBNJZABCA-GOSISDBHSA-N 0 3 320.436 4.119 20 30 DIEDHN CC(C)c1ccc([C@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510384259 340297437 /nfs/dbraw/zinc/29/74/37/340297437.db2.gz JYDVLRBGRGNIEF-GUYCJALGSA-N 0 3 312.438 4.237 20 30 DIEDHN C=CCOc1cccc(CN2CCC(OCCC(C)C)CC2)c1 ZINC000510486447 340300807 /nfs/dbraw/zinc/30/08/07/340300807.db2.gz ZQHQDHMQGRFKNC-UHFFFAOYSA-N 0 3 317.473 4.279 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2ncccc2c1 ZINC000510642166 340304702 /nfs/dbraw/zinc/30/47/02/340304702.db2.gz ZPMBQMPHPNLRBY-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc2[nH]ccc21 ZINC000510662022 340305710 /nfs/dbraw/zinc/30/57/10/340305710.db2.gz CAIRVXCBZCHIEW-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN CCO[C@@H](CCN[C@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611803 340368936 /nfs/dbraw/zinc/36/89/36/340368936.db2.gz MNRDWWPPRMROSO-KUHUBIRLSA-N 0 3 318.436 4.333 20 30 DIEDHN C[C@H](NCCc1ccc2ccccc2n1)c1ccc(C#N)cc1F ZINC000512620264 340369381 /nfs/dbraw/zinc/36/93/81/340369381.db2.gz PQDZZGICHZCWAR-AWEZNQCLSA-N 0 3 319.383 4.139 20 30 DIEDHN C[C@H](NCC(C)(C)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512627012 340369798 /nfs/dbraw/zinc/36/97/98/340369798.db2.gz ZAVYVPVIYNNHCN-ZDUSSCGKSA-N 0 3 314.379 4.465 20 30 DIEDHN C[C@H](CCc1ccc(O)cc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512633599 340370149 /nfs/dbraw/zinc/37/01/49/340370149.db2.gz AAWAUZDHRAFAQV-KGLIPLIRSA-N 0 3 312.388 4.075 20 30 DIEDHN CC(C)c1nc(CCN[C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000512637360 340370364 /nfs/dbraw/zinc/37/03/64/340370364.db2.gz VBQQAYRNICTEDW-LBPRGKRZSA-N 0 3 317.433 4.171 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646666 340370716 /nfs/dbraw/zinc/37/07/16/340370716.db2.gz CCGANDMGKBYSTI-GZRFBZBPSA-N 0 3 324.399 4.126 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000512646954 340370757 /nfs/dbraw/zinc/37/07/57/340370757.db2.gz FQCWNEKQIIOFAC-MWBIGIAMSA-N 0 3 324.399 4.301 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000512646952 340370823 /nfs/dbraw/zinc/37/08/23/340370823.db2.gz FQCWNEKQIIOFAC-JWHHTLNTSA-N 0 3 324.399 4.301 20 30 DIEDHN C[C@@H](NCCOc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512649530 340370865 /nfs/dbraw/zinc/37/08/65/340370865.db2.gz SMBDMHDFIVVSNL-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN C[C@@H](NCC(C)(C)Oc1ccccc1)c1ccc(C#N)cc1F ZINC000512649556 340370921 /nfs/dbraw/zinc/37/09/21/340370921.db2.gz SNJLSTXPCBQMLU-CQSZACIVSA-N 0 3 312.388 4.206 20 30 DIEDHN C[C@H](N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650134 340370923 /nfs/dbraw/zinc/37/09/23/340370923.db2.gz XKKANJRZNBVKNW-GOEBONIOSA-N 0 3 316.420 4.230 20 30 DIEDHN CCS[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000512655782 340371369 /nfs/dbraw/zinc/37/13/69/340371369.db2.gz WLXBGEZSMDNEFF-OAUYIBNBSA-N 0 3 306.450 4.412 20 30 DIEDHN Cc1ccc(CC[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661181 340371747 /nfs/dbraw/zinc/37/17/47/340371747.db2.gz QHEBCRXMOHQURP-GXTWGEPZSA-N 0 3 300.377 4.271 20 30 DIEDHN Cc1cc(F)ccc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512671580 340372293 /nfs/dbraw/zinc/37/22/93/340372293.db2.gz FYRSWLXKGMKFQT-ZDUSSCGKSA-N 0 3 300.352 4.038 20 30 DIEDHN Fc1cc(CNCC2(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC000512869899 340381664 /nfs/dbraw/zinc/38/16/64/340381664.db2.gz ZGAWTEGWBKDIFQ-UHFFFAOYSA-N 0 3 315.232 4.277 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(CSC)cc2)cc1 ZINC000512973125 340386492 /nfs/dbraw/zinc/38/64/92/340386492.db2.gz ZBNXSEBPKHDNED-UHFFFAOYSA-N 0 3 313.466 4.404 20 30 DIEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000513018429 340388836 /nfs/dbraw/zinc/38/88/36/340388836.db2.gz YOYYSHJKRIAADU-KRWDZBQOSA-N 0 3 302.805 4.334 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc3[nH]c(C)cc3c2)c1 ZINC000513088565 340392889 /nfs/dbraw/zinc/39/28/89/340392889.db2.gz IHXNEYSQLDGQTE-UHFFFAOYSA-N 0 3 306.409 4.331 20 30 DIEDHN CC(C)(C#N)CCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000174867218 340397932 /nfs/dbraw/zinc/39/79/32/340397932.db2.gz LTFIYKNACAVSNW-UHFFFAOYSA-N 0 3 316.289 4.133 20 30 DIEDHN CSc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000223667032 340546970 /nfs/dbraw/zinc/54/69/70/340546970.db2.gz BQUBOGXBKBLSIL-LBPRGKRZSA-N 0 3 300.402 4.270 20 30 DIEDHN Cc1cccc([C@@H](NCc2cnc3ccc(C#N)cn23)C(C)C)c1 ZINC000529671094 340767501 /nfs/dbraw/zinc/76/75/01/340767501.db2.gz YYJXRNBASXOTMY-FQEVSTJZSA-N 0 3 318.424 4.001 20 30 DIEDHN C=CCCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000538116070 340810119 /nfs/dbraw/zinc/81/01/19/340810119.db2.gz IAXOZZAUSCOXLL-MRXNPFEDSA-N 0 3 313.363 4.339 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000538506707 340829330 /nfs/dbraw/zinc/82/93/30/340829330.db2.gz RNDFOBFUFIDPMB-YGGLWSGOSA-N 0 3 324.399 4.301 20 30 DIEDHN CCCOc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538508654 340829609 /nfs/dbraw/zinc/82/96/09/340829609.db2.gz WTZPOEAGANAMLN-AWEZNQCLSA-N 0 3 312.388 4.337 20 30 DIEDHN CC[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccccc1F ZINC000539495135 340887163 /nfs/dbraw/zinc/88/71/63/340887163.db2.gz FMCUWJNBXOKGFO-YOEHRIQHSA-N 0 3 312.388 4.206 20 30 DIEDHN C=CCCOCCN[C@H]1C[C@@H](C)c2c1cccc2Br ZINC000540152105 340917691 /nfs/dbraw/zinc/91/76/91/340917691.db2.gz WFYNATKMNRFUFY-DOMZBBRYSA-N 0 3 324.262 4.180 20 30 DIEDHN CC(C)Oc1ccccc1[C@H](C)NCCOc1ccccc1C#N ZINC000540324265 340927014 /nfs/dbraw/zinc/92/70/14/340927014.db2.gz JWNBGFFGDHJYQZ-INIZCTEOSA-N 0 3 324.424 4.075 20 30 DIEDHN CC(C)Oc1cccc([C@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000540328692 340927257 /nfs/dbraw/zinc/92/72/57/340927257.db2.gz RAZNBQBNHKFZEG-INIZCTEOSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000541594344 340976655 /nfs/dbraw/zinc/97/66/55/340976655.db2.gz ARHZZNCXRNECIC-QGZVFWFLSA-N 0 3 324.428 4.057 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000541625778 340978238 /nfs/dbraw/zinc/97/82/38/340978238.db2.gz KSWXDQXIJXEFPS-CVEARBPZSA-N 0 3 322.518 4.238 20 30 DIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000542277143 341003174 /nfs/dbraw/zinc/00/31/74/341003174.db2.gz KGFSXXYKAKXDHY-IBGZPJMESA-N 0 3 306.409 4.098 20 30 DIEDHN N#Cc1cccc(CNCc2ccc(Cl)c3cccnc23)c1 ZINC000130491398 341023072 /nfs/dbraw/zinc/02/30/72/341023072.db2.gz MWKDDVFLIHZROV-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN N#CCC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000130566659 341028447 /nfs/dbraw/zinc/02/84/47/341028447.db2.gz XQLSMDXJZXLZGU-DBEXCURXSA-N 0 3 321.380 4.243 20 30 DIEDHN CCN(Cc1ccc(CC#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000543139014 341033669 /nfs/dbraw/zinc/03/36/69/341033669.db2.gz JEHRTMYWDIMOKX-MRXNPFEDSA-N 0 3 308.425 4.344 20 30 DIEDHN CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543632797 341052299 /nfs/dbraw/zinc/05/22/99/341052299.db2.gz XSVTZPUKCJUUKM-HNNXBMFYSA-N 0 3 323.396 4.358 20 30 DIEDHN COc1ccc2c(c1)C[C@@H](C)N(CCCC(C)(C)C#N)[C@H]2C ZINC000543808934 341059971 /nfs/dbraw/zinc/05/99/71/341059971.db2.gz BGEBKNHFOBWLHL-CABCVRRESA-N 0 3 300.446 4.333 20 30 DIEDHN N#CCc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000544141543 341071955 /nfs/dbraw/zinc/07/19/55/341071955.db2.gz BUYCGBUSKGTESS-IBGZPJMESA-N 0 3 308.450 4.043 20 30 DIEDHN C[C@@H](CCC(F)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000544370362 341078685 /nfs/dbraw/zinc/07/86/85/341078685.db2.gz JJYMGHCFHMDIGZ-NSHDSACASA-N 0 3 323.280 4.378 20 30 DIEDHN C=CCCCc1nc(-c2ccccc2CN2CCCCC2)no1 ZINC000545707842 341137280 /nfs/dbraw/zinc/13/72/80/341137280.db2.gz MVHVGEVGKCJBAZ-UHFFFAOYSA-N 0 3 311.429 4.231 20 30 DIEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685718 341178707 /nfs/dbraw/zinc/17/87/07/341178707.db2.gz OFLFQLGOPYMFCI-GOEBONIOSA-N 0 3 315.388 4.206 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1cccc(C#N)c1 ZINC000076767096 341213766 /nfs/dbraw/zinc/21/37/66/341213766.db2.gz CWHKNHBCELZMCX-SCLBCKFNSA-N 0 3 314.816 4.077 20 30 DIEDHN C=CCCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000547869847 341238619 /nfs/dbraw/zinc/23/86/19/341238619.db2.gz MDZXIHVLZGGUAE-SFHVURJKSA-N 0 3 309.388 4.082 20 30 DIEDHN C[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000079046522 341252653 /nfs/dbraw/zinc/25/26/53/341252653.db2.gz YGUUBKYRROXISA-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000079076795 341253046 /nfs/dbraw/zinc/25/30/46/341253046.db2.gz ZYOYKOSCHNHGDJ-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000079720613 341264492 /nfs/dbraw/zinc/26/44/92/341264492.db2.gz RXMJLCXAKLQDOM-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN N#CCc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548934731 341281593 /nfs/dbraw/zinc/28/15/93/341281593.db2.gz QBKBGTVTKCJNJN-INIZCTEOSA-N 0 3 322.374 4.307 20 30 DIEDHN CCCOc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549167917 341287740 /nfs/dbraw/zinc/28/77/40/341287740.db2.gz XVXDQKKKNUDGRD-MRXNPFEDSA-N 0 3 324.424 4.077 20 30 DIEDHN CCc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000549398922 341293238 /nfs/dbraw/zinc/29/32/38/341293238.db2.gz XORULVWYJQRLLR-UHFFFAOYSA-N 0 3 307.441 4.174 20 30 DIEDHN N#Cc1cccc(C2(NCCCSCc3ccccc3)CC2)c1 ZINC000551411142 341340876 /nfs/dbraw/zinc/34/08/76/341340876.db2.gz AEUHJXAQFWHTAT-UHFFFAOYSA-N 0 3 322.477 4.460 20 30 DIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCC2 ZINC000551557734 341345315 /nfs/dbraw/zinc/34/53/15/341345315.db2.gz HHVPPAIEDISAPE-ZDUSSCGKSA-N 0 3 308.450 4.448 20 30 DIEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823460 341353218 /nfs/dbraw/zinc/35/32/18/341353218.db2.gz GWFIKFDTKRNENN-HUUCEWRRSA-N 0 3 308.347 4.235 20 30 DIEDHN CC(C)[C@@H]1N(Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000552072504 341367576 /nfs/dbraw/zinc/36/75/76/341367576.db2.gz MXSONFFBQUHSTO-SFHVURJKSA-N 0 3 300.446 4.236 20 30 DIEDHN C=CCC[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000552246005 341381015 /nfs/dbraw/zinc/38/10/15/341381015.db2.gz DPPWPEFDINCTIV-OAHLLOKOSA-N 0 3 300.358 4.027 20 30 DIEDHN C=CCC[C@@H](NC[C@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249030 341381225 /nfs/dbraw/zinc/38/12/25/341381225.db2.gz ZWUGIQGQAACIGY-MAUKXSAKSA-N 0 3 315.413 4.353 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059189 341392941 /nfs/dbraw/zinc/39/29/41/341392941.db2.gz ZLNCFWJXJNXBPD-XNRPHZJLSA-N 0 3 304.821 4.226 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000249088407 341393553 /nfs/dbraw/zinc/39/35/53/341393553.db2.gz CLPDEADENOLPBR-OXQOHEQNSA-N 0 3 305.425 4.196 20 30 DIEDHN C[C@@H](NCCOc1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000554842642 341466166 /nfs/dbraw/zinc/46/61/66/341466166.db2.gz ISTJVDYCNRONJB-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN Cc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745952 341536892 /nfs/dbraw/zinc/53/68/92/341536892.db2.gz PXGCSGSUBNNGDS-UGSOOPFHSA-N 0 3 321.380 4.113 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(CC#N)cc1 ZINC000566068066 341546959 /nfs/dbraw/zinc/54/69/59/341546959.db2.gz QMRSLZUKQOOJEC-VLIAUNLRSA-N 0 3 308.400 4.305 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(F)c(OC)c2)cc1 ZINC000154431070 341589259 /nfs/dbraw/zinc/58/92/59/341589259.db2.gz DIPVQQVGHFRTGV-CQSZACIVSA-N 0 3 315.388 4.250 20 30 DIEDHN C=C(C)[C@@H](NCCc1cccc(C)n1)c1ccc(F)c(F)c1 ZINC000573840140 341740886 /nfs/dbraw/zinc/74/08/86/341740886.db2.gz NBIHFEXPPWCQCL-GOSISDBHSA-N 0 3 302.368 4.118 20 30 DIEDHN C=CCCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000574755256 341767909 /nfs/dbraw/zinc/76/79/09/341767909.db2.gz CJDGDDWTAFUMTI-UHFFFAOYSA-N 0 3 316.832 4.370 20 30 DIEDHN N#CCC1(CNCc2ccccc2OCc2ccccc2)CC1 ZINC000336718220 341804630 /nfs/dbraw/zinc/80/46/30/341804630.db2.gz RIOXSVMAMUQWGG-UHFFFAOYSA-N 0 3 306.409 4.049 20 30 DIEDHN CCC(C)(C)[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000156878743 521361799 /nfs/dbraw/zinc/36/17/99/521361799.db2.gz ACDFWJFLXFUTPH-INIZCTEOSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721167 522938962 /nfs/dbraw/zinc/93/89/62/522938962.db2.gz YUKSZOKUGRQIRO-FZKQIMNGSA-N 0 3 309.369 4.268 20 30 DIEDHN C[C@H]1C[C@H]1[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212969 524966357 /nfs/dbraw/zinc/96/63/57/524966357.db2.gz NATCBFHYKFBTPV-JBBXEZCESA-N 0 3 313.832 4.037 20 30 DIEDHN C[C@H](NCc1ccc(OCC(F)F)cc1)c1ccc(C#N)cc1 ZINC000266186461 525447600 /nfs/dbraw/zinc/44/76/00/525447600.db2.gz HKLOVPLAIRDTQU-ZDUSSCGKSA-N 0 3 316.351 4.053 20 30 DIEDHN C[C@H](NCc1cccc(OCC(F)F)c1)c1cccc(C#N)c1 ZINC000181930440 525457831 /nfs/dbraw/zinc/45/78/31/525457831.db2.gz WVXAGMZDFOABIQ-ZDUSSCGKSA-N 0 3 316.351 4.053 20 30 DIEDHN C[C@@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622931 525628148 /nfs/dbraw/zinc/62/81/48/525628148.db2.gz CANBHLLSEJAUIS-XPGWFJOJSA-N 0 3 306.409 4.129 20 30 DIEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(Br)cc1 ZINC001256213933 1062748760 /nfs/dbraw/zinc/74/87/60/1062748760.db2.gz DVJJZHSPFGHYIV-IUODEOHRSA-N 0 3 309.251 4.052 20 30 DIEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354382 1035770756 /nfs/dbraw/zinc/77/07/56/1035770756.db2.gz YJCXXLLLTIOUIX-IUCAKERBSA-N 0 3 307.287 4.115 20 30 DIEDHN Cc1c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331423 1035867704 /nfs/dbraw/zinc/86/77/04/1035867704.db2.gz KGQCSJDLHCISPB-UONOGXRCSA-N 0 3 309.369 4.187 20 30 DIEDHN C=CCN(CCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300570 1035930388 /nfs/dbraw/zinc/93/03/88/1035930388.db2.gz WESCKZVVPSTJIX-UHFFFAOYSA-N 0 3 306.409 4.015 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2cc(F)ccc2F)cc1 ZINC001208926240 1035949058 /nfs/dbraw/zinc/94/90/58/1035949058.db2.gz LZRQMFNHGVDFAP-LJQANCHMSA-N 0 3 312.363 4.216 20 30 DIEDHN N#Cc1cccc(CN(Cc2ccccc2)CC2CCC2)c1F ZINC001167157283 1036223634 /nfs/dbraw/zinc/22/36/34/1036223634.db2.gz IPFSNIQYVBPNFD-UHFFFAOYSA-N 0 3 308.400 4.500 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(C#N)s1 ZINC000176972540 1036525239 /nfs/dbraw/zinc/52/52/39/1036525239.db2.gz SCOUJMDQWKZUBS-MEDUHNTESA-N 0 3 320.845 4.139 20 30 DIEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 ZINC000610344763 1036838287 /nfs/dbraw/zinc/83/82/87/1036838287.db2.gz HMUUDTAKCRVSIN-INIZCTEOSA-N 0 3 319.408 4.092 20 30 DIEDHN C=CCCCCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000683783325 1036910425 /nfs/dbraw/zinc/91/04/25/1036910425.db2.gz UPIMZSFUKRMGAI-PHIMTYICSA-N 0 3 303.290 4.405 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2cnccc2c1 ZINC000683827441 1036979456 /nfs/dbraw/zinc/97/94/56/1036979456.db2.gz WWFQHZJTYHRTKR-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN CCS[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C(C)C ZINC000177745813 1037075736 /nfs/dbraw/zinc/07/57/36/1037075736.db2.gz SGKAVMLWNHZQPJ-FZMZJTMJSA-N 0 3 310.488 4.220 20 30 DIEDHN CC(C)(C)c1ccc(C2(CNC[C@@H](C#N)CCC#N)CCC2)cc1 ZINC000558506693 1037081610 /nfs/dbraw/zinc/08/16/10/1037081610.db2.gz IKWJOUPDBRPWAT-QGZVFWFLSA-N 0 3 323.484 4.439 20 30 DIEDHN CCCN(Cc1cccc(C#N)c1F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167443261 1037414203 /nfs/dbraw/zinc/41/42/03/1037414203.db2.gz QYNHGZAOJJXBMP-IAGOWNOFSA-N 0 3 318.436 4.113 20 30 DIEDHN N#CCC[C@H](C#N)CNCC1(Cc2ccccc2)CCCCC1 ZINC000581344795 1037544106 /nfs/dbraw/zinc/54/41/06/1037544106.db2.gz PPYYRPCSBNXWLI-LJQANCHMSA-N 0 3 309.457 4.213 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000160969920 1037779082 /nfs/dbraw/zinc/77/90/82/1037779082.db2.gz MIMDSRLPAYNGGN-GOSISDBHSA-N 0 3 311.450 4.317 20 30 DIEDHN Cc1nc(C(C#N)C(=O)Nc2cccc3ccccc32)sc1C ZINC000155652457 1037962632 /nfs/dbraw/zinc/96/26/32/1037962632.db2.gz TYPURWBYHKIGIN-OAHLLOKOSA-N 0 3 321.405 4.159 20 30 DIEDHN C[C@H](CCC#N)CN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602448367 1038011554 /nfs/dbraw/zinc/01/15/54/1038011554.db2.gz GAZXEWCNLKHRBY-CRAIPNDOSA-N 0 3 310.445 4.040 20 30 DIEDHN CC[C@@H](NC[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602560997 1038036656 /nfs/dbraw/zinc/03/66/56/1038036656.db2.gz PFOOSHJNDJWCRV-VHSXEESVSA-N 0 3 305.369 4.142 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 ZINC000178178016 1038038161 /nfs/dbraw/zinc/03/81/61/1038038161.db2.gz RBBHCXODKZXNQY-JKSUJKDBSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@@H](CCC#N)CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567641 1038042265 /nfs/dbraw/zinc/04/22/65/1038042265.db2.gz IZSNGMYPYUYTPW-KBXCAEBGSA-N 0 3 313.832 4.354 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC000891577254 1038045380 /nfs/dbraw/zinc/04/53/80/1038045380.db2.gz AMXKLRMHTCVEFZ-CQSZACIVSA-N 0 3 323.421 4.141 20 30 DIEDHN C[C@H](c1ccccc1F)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911147 1038107490 /nfs/dbraw/zinc/10/74/90/1038107490.db2.gz XLXOGAGQEAZIAW-CQSZACIVSA-N 0 3 309.388 4.033 20 30 DIEDHN Cc1nc2ccccc2n1CCCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602982335 1038115697 /nfs/dbraw/zinc/11/56/97/1038115697.db2.gz QULNDKMZTQFVBD-MJGOQNOKSA-N 0 3 324.472 4.139 20 30 DIEDHN COc1ccc(C(N[C@@H](C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000602988214 1038119152 /nfs/dbraw/zinc/11/91/52/1038119152.db2.gz CCSKAZOUIZQQAA-HNNXBMFYSA-N 0 3 324.424 4.075 20 30 DIEDHN N#Cc1c(F)cccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000060991718 1038150436 /nfs/dbraw/zinc/15/04/36/1038150436.db2.gz VGTUBNWELNCMBS-INIZCTEOSA-N 0 3 315.417 4.008 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000599023563 1038213457 /nfs/dbraw/zinc/21/34/57/1038213457.db2.gz TZWZYGJADOPRKT-MRXNPFEDSA-N 0 3 302.830 4.440 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1ccccn1)C1CCC1 ZINC000599068194 1038230679 /nfs/dbraw/zinc/23/06/79/1038230679.db2.gz LULYMDLUUZOMOP-TZIWHRDSSA-N 0 3 317.436 4.462 20 30 DIEDHN CCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000341703935 1038236723 /nfs/dbraw/zinc/23/67/23/1038236723.db2.gz ZEEZIFKYMHERED-UYAOXDASSA-N 0 3 305.425 4.462 20 30 DIEDHN COc1ccccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757049 1038260814 /nfs/dbraw/zinc/26/08/14/1038260814.db2.gz HICKSPHFECZVJN-IFXJQAMLSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756048 1038262383 /nfs/dbraw/zinc/26/23/83/1038262383.db2.gz BSPIOOTVLLDMMM-ACJLOTCBSA-N 0 3 320.392 4.015 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610829926 1038373168 /nfs/dbraw/zinc/37/31/68/1038373168.db2.gz SONBJXUUMVFYAN-KBPBESRZSA-N 0 3 309.369 4.187 20 30 DIEDHN Cc1cccc([C@H]2CCCCCN2Cc2ccnc(C#N)c2)c1 ZINC000610993545 1038424534 /nfs/dbraw/zinc/42/45/34/1038424534.db2.gz XAEFXOSYEDWDIR-HXUWFJFHSA-N 0 3 305.425 4.379 20 30 DIEDHN N#CCCCOc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000342331952 1038536054 /nfs/dbraw/zinc/53/60/54/1038536054.db2.gz ONUABWLLKRKFKF-UHFFFAOYSA-N 0 3 319.408 4.140 20 30 DIEDHN CC(C)(Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000172314170 1038573290 /nfs/dbraw/zinc/57/32/90/1038573290.db2.gz CUCTWJDSCONNCV-OAHLLOKOSA-N 0 3 318.376 4.273 20 30 DIEDHN CSc1ccccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033045 1038627542 /nfs/dbraw/zinc/62/75/42/1038627542.db2.gz FJSPYPCTMCECRH-UHFFFAOYSA-N 0 3 308.450 4.449 20 30 DIEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159104838 1038690721 /nfs/dbraw/zinc/69/07/21/1038690721.db2.gz NNQCTWFIWZZMOD-RDBSUJKOSA-N 0 3 323.362 4.231 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(Br)s1 ZINC000657529631 1038766862 /nfs/dbraw/zinc/76/68/62/1038766862.db2.gz FYMJCWNNYVKJMQ-GHMZBOCLSA-N 0 3 315.280 4.130 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)c1 ZINC000173964173 1038825363 /nfs/dbraw/zinc/82/53/63/1038825363.db2.gz AYDROYDIKJPFEW-QGZVFWFLSA-N 0 3 312.413 4.003 20 30 DIEDHN C=CCOCCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000657658256 1038961384 /nfs/dbraw/zinc/96/13/84/1038961384.db2.gz QMDPGROMDRJCEN-UHFFFAOYSA-N 0 3 322.861 4.146 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)o1 ZINC000123727077 1039166931 /nfs/dbraw/zinc/16/69/31/1039166931.db2.gz CLBPVQQFUNGMKP-UHFFFAOYSA-N 0 3 305.381 4.012 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155112 1039224241 /nfs/dbraw/zinc/22/42/41/1039224241.db2.gz ANGRYFHKXJONGY-SCLBCKFNSA-N 0 3 309.369 4.268 20 30 DIEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000150882654 1039267070 /nfs/dbraw/zinc/26/70/70/1039267070.db2.gz BMKBXHVSXAHUMN-QGZVFWFLSA-N 0 3 302.462 4.309 20 30 DIEDHN CC(C)OCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000539499995 1039272319 /nfs/dbraw/zinc/27/23/19/1039272319.db2.gz VQWTVKHJBWGVIB-MRXNPFEDSA-N 0 3 308.425 4.334 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000539607269 1039298509 /nfs/dbraw/zinc/29/85/09/1039298509.db2.gz ICHPHKSJRNPFPK-BOUXLOLZSA-N 0 3 324.399 4.126 20 30 DIEDHN CC(C)N(CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000539719996 1039324853 /nfs/dbraw/zinc/32/48/53/1039324853.db2.gz RRXFHJSMUVNCDR-UHFFFAOYSA-N 0 3 324.399 4.181 20 30 DIEDHN N#CC(C(=O)C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000255573671 1039411787 /nfs/dbraw/zinc/41/17/87/1039411787.db2.gz BECPVLOOVUFZOG-BMSUMIBZSA-N 0 3 319.389 4.045 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1F ZINC000540338638 1039481250 /nfs/dbraw/zinc/48/12/50/1039481250.db2.gz SLNWGUZSGGCMTC-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1F ZINC000540350178 1039484705 /nfs/dbraw/zinc/48/47/05/1039484705.db2.gz LMRCGFMTXCSGDV-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN C[C@@H](NCCOC1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000540707042 1039544740 /nfs/dbraw/zinc/54/47/40/1039544740.db2.gz NIEPDDQHWISCOF-CQSZACIVSA-N 0 3 304.409 4.087 20 30 DIEDHN CC(C)[C@@H](NCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000179088876 1039732007 /nfs/dbraw/zinc/73/20/07/1039732007.db2.gz MTOJDRBDPHOPFM-GOSISDBHSA-N 0 3 300.352 4.323 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152012408 1039938877 /nfs/dbraw/zinc/93/88/77/1039938877.db2.gz PTYSVRJATUILHS-HUUCEWRRSA-N 0 3 323.440 4.356 20 30 DIEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2)c1nc(C2CC2)cs1 ZINC000647372622 1040353737 /nfs/dbraw/zinc/35/37/37/1040353737.db2.gz QRQDXPNOPVGXTO-MRXNPFEDSA-N 0 3 322.433 4.389 20 30 DIEDHN C=CCOCCCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000658205026 1040355232 /nfs/dbraw/zinc/35/52/32/1040355232.db2.gz DKEAQSCTFPIKCN-CQSZACIVSA-N 0 3 302.443 4.053 20 30 DIEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000658334506 1040428512 /nfs/dbraw/zinc/42/85/12/1040428512.db2.gz KVJSMGMAZKDAME-TXPKVOOTSA-N 0 3 311.425 4.024 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)co2)cc1 ZINC000892501337 1040626980 /nfs/dbraw/zinc/62/69/80/1040626980.db2.gz NAENEOQSVYKJPZ-BBRMVZONSA-N 0 3 324.380 4.063 20 30 DIEDHN C[C@@H](c1ccc(OC(F)F)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000066420945 1040833756 /nfs/dbraw/zinc/83/37/56/1040833756.db2.gz NRAZFBCTSNIMNX-ZDUSSCGKSA-N 0 3 316.351 4.353 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000580919703 1040838759 /nfs/dbraw/zinc/83/87/59/1040838759.db2.gz WLPPMOLLHGJYBO-LJQANCHMSA-N 0 3 324.424 4.159 20 30 DIEDHN N#CCC[C@H](C#N)CNCC1(c2ccc(Cl)cc2)CCCC1 ZINC000066484188 1040854016 /nfs/dbraw/zinc/85/40/16/1040854016.db2.gz KIMCSPQIQWKZOA-OAHLLOKOSA-N 0 3 315.848 4.185 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000581452528 1040858630 /nfs/dbraw/zinc/85/86/30/1040858630.db2.gz ZGHFOUABDVYNIZ-IBGZPJMESA-N 0 3 324.424 4.159 20 30 DIEDHN COc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000414101165 1040859698 /nfs/dbraw/zinc/85/96/98/1040859698.db2.gz STERUKVBZIQJSN-OAHLLOKOSA-N 0 3 306.409 4.215 20 30 DIEDHN CC(C)(CC#N)CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000414162568 1040939939 /nfs/dbraw/zinc/93/99/39/1040939939.db2.gz HJSXDWQETDCCPG-CQSZACIVSA-N 0 3 311.351 4.007 20 30 DIEDHN CC(C)(CC#N)CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000414162564 1040940135 /nfs/dbraw/zinc/94/01/35/1040940135.db2.gz HJSXDWQETDCCPG-AWEZNQCLSA-N 0 3 311.351 4.007 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000809603119 1041202152 /nfs/dbraw/zinc/20/21/52/1041202152.db2.gz AISWZHJMJRKADE-ZDUSSCGKSA-N 0 3 301.336 4.120 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1 ZINC000809626107 1041207143 /nfs/dbraw/zinc/20/71/43/1041207143.db2.gz BLJQBFNVOCLMCX-OAHLLOKOSA-N 0 3 323.411 4.447 20 30 DIEDHN C=C(CNCc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000892712109 1041369378 /nfs/dbraw/zinc/36/93/78/1041369378.db2.gz OQUXKJCYYGZTAB-UHFFFAOYSA-N 0 3 312.360 4.051 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000728712130 1041476652 /nfs/dbraw/zinc/47/66/52/1041476652.db2.gz VBSDQQFTTFMJNX-KUHUBIRLSA-N 0 3 324.449 4.055 20 30 DIEDHN CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccccc1OC ZINC000728712049 1041478405 /nfs/dbraw/zinc/47/84/05/1041478405.db2.gz WQHSPGWUNXCKEG-DNVCBOLYSA-N 0 3 324.424 4.227 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CCCCC1 ZINC000122709845 1041495841 /nfs/dbraw/zinc/49/58/41/1041495841.db2.gz MCDPYNNJJYYOTL-OAHLLOKOSA-N 0 3 309.413 4.110 20 30 DIEDHN N#Cc1c(N)sc(CN2CC[C@@H](C3CCCCC3)C2)c1Cl ZINC001141114076 1041594979 /nfs/dbraw/zinc/59/49/79/1041594979.db2.gz CYNLLOOIVURTFM-GFCCVEGCSA-N 0 3 323.893 4.258 20 30 DIEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000728766973 1041632798 /nfs/dbraw/zinc/63/27/98/1041632798.db2.gz RAJBLRQMHBYUQO-AAEUAGOBSA-N 0 3 316.451 4.046 20 30 DIEDHN CC(C)COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000236692961 1041647326 /nfs/dbraw/zinc/64/73/26/1041647326.db2.gz IVZJXLKXHJEBMG-INIZCTEOSA-N 0 3 308.425 4.444 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2ccc(O)cc21 ZINC000417367745 1041665385 /nfs/dbraw/zinc/66/53/85/1041665385.db2.gz PGMAQQJGXANJCH-LEWJYISDSA-N 0 3 318.420 4.308 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2c(O)cccc21 ZINC000417370759 1041666438 /nfs/dbraw/zinc/66/64/38/1041666438.db2.gz STNBHPINGBTKNL-VQTJNVASSA-N 0 3 318.420 4.308 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373699 1041666679 /nfs/dbraw/zinc/66/66/79/1041666679.db2.gz XPGCCWQNJPZTBV-MGPUTAFESA-N 0 3 319.452 4.352 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375916 1041667627 /nfs/dbraw/zinc/66/76/27/1041667627.db2.gz ZXJKPIJDOOIGGZ-SCLBCKFNSA-N 0 3 322.408 4.001 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393392 1041667793 /nfs/dbraw/zinc/66/77/93/1041667793.db2.gz UGPYJAKWCLVZSU-ORAYPTAESA-N 0 3 321.380 4.195 20 30 DIEDHN C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC000418143272 1041731305 /nfs/dbraw/zinc/73/13/05/1041731305.db2.gz PAGSGCRNCHYISI-CYBMUJFWSA-N 0 3 310.363 4.310 20 30 DIEDHN N#CCC1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000781927231 1041770295 /nfs/dbraw/zinc/77/02/95/1041770295.db2.gz KRGCQSVWWBZJOB-UHFFFAOYSA-N 0 3 314.376 4.424 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000093117552 1041876803 /nfs/dbraw/zinc/87/68/03/1041876803.db2.gz AXRALPWBJNZOQT-LBPRGKRZSA-N 0 3 305.830 4.264 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2cc(C)oc2C)o1 ZINC000661118673 1041888130 /nfs/dbraw/zinc/88/81/30/1041888130.db2.gz JKBFKDOXYZOVDY-HOCLYGCPSA-N 0 3 315.417 4.171 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2cccs2)no1 ZINC000661119526 1041890201 /nfs/dbraw/zinc/89/02/01/1041890201.db2.gz UYKCNYZIHJRYCV-OLZOCXBDSA-N 0 3 303.431 4.023 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2cccs2)no1 ZINC000661119525 1041890415 /nfs/dbraw/zinc/89/04/15/1041890415.db2.gz UYKCNYZIHJRYCV-CHWSQXEVSA-N 0 3 303.431 4.023 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccsc2C)c1 ZINC000815126749 1041917105 /nfs/dbraw/zinc/91/71/05/1041917105.db2.gz QFZKNCKJSFQQBG-MRXNPFEDSA-N 0 3 300.427 4.027 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651823181 1041925432 /nfs/dbraw/zinc/92/54/32/1041925432.db2.gz ZGPUAFOELOTRER-YSGRDPCXSA-N 0 3 308.425 4.133 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651823180 1041925679 /nfs/dbraw/zinc/92/56/79/1041925679.db2.gz ZGPUAFOELOTRER-BEVDRBHNSA-N 0 3 308.425 4.133 20 30 DIEDHN CCCCCCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001126218591 1042101097 /nfs/dbraw/zinc/10/10/97/1042101097.db2.gz NUBWMTXEAMJGBS-UHFFFAOYSA-N 0 3 322.537 4.460 20 30 DIEDHN N#CCC[C@@H](C#N)CNCC1(c2ccc(F)cc2)CCCCC1 ZINC000066483995 1042140154 /nfs/dbraw/zinc/14/01/54/1042140154.db2.gz PNAQMKNJZOZHIP-INIZCTEOSA-N 0 3 313.420 4.061 20 30 DIEDHN N#C[C@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000818356638 1042151021 /nfs/dbraw/zinc/15/10/21/1042151021.db2.gz PAPAYMJEBXDWIT-NSHGMRRFSA-N 0 3 320.436 4.348 20 30 DIEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000585767185 1042245277 /nfs/dbraw/zinc/24/52/77/1042245277.db2.gz JSFLGLBJOBKRGX-CABCVRRESA-N 0 3 310.363 4.481 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000618562636 1042273342 /nfs/dbraw/zinc/27/33/42/1042273342.db2.gz SNNCMJDPRNGUCP-WBVHZDCISA-N 0 3 307.397 4.046 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000618562621 1042273410 /nfs/dbraw/zinc/27/34/10/1042273410.db2.gz SNNCMJDPRNGUCP-DOTOQJQBSA-N 0 3 307.397 4.046 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236829725 1042282637 /nfs/dbraw/zinc/28/26/37/1042282637.db2.gz VQHWRPNTZHUCAU-INIZCTEOSA-N 0 3 324.424 4.056 20 30 DIEDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178552273 1042288027 /nfs/dbraw/zinc/28/80/27/1042288027.db2.gz MMERSMPYWWXSEL-YNEHKIRRSA-N 0 3 322.389 4.178 20 30 DIEDHN C=CCSCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000319971646 1042299912 /nfs/dbraw/zinc/29/99/12/1042299912.db2.gz LGDGLQZGYNNNGN-LJQANCHMSA-N 0 3 313.466 4.293 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3occc3c2)C2CC2)cc1 ZINC000572046664 1042303288 /nfs/dbraw/zinc/30/32/88/1042303288.db2.gz NZZUBBXZXSDRTM-UHFFFAOYSA-N 0 3 302.377 4.469 20 30 DIEDHN C=C(CNCc1ccc(Br)s1)c1ccccc1 ZINC000110057562 1042393876 /nfs/dbraw/zinc/39/38/76/1042393876.db2.gz GLOPUOJVWYSSCG-UHFFFAOYSA-N 0 3 308.244 4.314 20 30 DIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccc(C#N)c1 ZINC000614179540 1042423393 /nfs/dbraw/zinc/42/33/93/1042423393.db2.gz RFOJDKFUCMSLCY-HNNXBMFYSA-N 0 3 303.409 4.210 20 30 DIEDHN CCOc1cccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236974779 1042441150 /nfs/dbraw/zinc/44/11/50/1042441150.db2.gz YHUHODZJULYTAP-JKSUJKDBSA-N 0 3 324.424 4.227 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571542 1042497440 /nfs/dbraw/zinc/49/74/40/1042497440.db2.gz SNPWUONIGDADAR-UHFFFAOYSA-N 0 3 319.452 4.181 20 30 DIEDHN Cc1c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803173 1042598851 /nfs/dbraw/zinc/59/88/51/1042598851.db2.gz QMLPTQYRYWLUSD-FZKQIMNGSA-N 0 3 321.380 4.113 20 30 DIEDHN Cc1c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803181 1042600043 /nfs/dbraw/zinc/60/00/43/1042600043.db2.gz QMLPTQYRYWLUSD-UGSOOPFHSA-N 0 3 321.380 4.113 20 30 DIEDHN COc1ccc2cc(CN(C)Cc3cccc(C#N)c3)ccc2c1 ZINC000016354143 1042629917 /nfs/dbraw/zinc/62/99/17/1042629917.db2.gz NUNFWJHZOLARQF-UHFFFAOYSA-N 0 3 316.404 4.352 20 30 DIEDHN Cc1[nH]c2c(cc(C)cc2CNCc2ccc(C#N)c(F)c2)c1C ZINC000421330584 1042630748 /nfs/dbraw/zinc/63/07/48/1042630748.db2.gz YDPFACPQJOBIBF-UHFFFAOYSA-N 0 3 321.399 4.394 20 30 DIEDHN N#CCCCNCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421351765 1042631871 /nfs/dbraw/zinc/63/18/71/1042631871.db2.gz ZYLJROJSFLZWSZ-UHFFFAOYSA-N 0 3 308.429 4.059 20 30 DIEDHN CC(C)Sc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000190948850 1042674753 /nfs/dbraw/zinc/67/47/53/1042674753.db2.gz GCPOBGWDTNAXLR-CQSZACIVSA-N 0 3 313.470 4.248 20 30 DIEDHN Cc1ccccc1C[C@@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000514184308 1042771629 /nfs/dbraw/zinc/77/16/29/1042771629.db2.gz SNPXZZTWMAFLBY-FQEVSTJZSA-N 0 3 308.400 4.213 20 30 DIEDHN CCOc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425363265 1042796899 /nfs/dbraw/zinc/79/68/99/1042796899.db2.gz BDPYCSULUSCSPW-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN N#Cc1csc(CNCC2(c3cccs3)CCCCC2)n1 ZINC000517060370 1042865856 /nfs/dbraw/zinc/86/58/56/1042865856.db2.gz ISWWPHWNRTUKGB-UHFFFAOYSA-N 0 3 317.483 4.068 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2CCC2)c(F)c1 ZINC000517855991 1042900810 /nfs/dbraw/zinc/90/08/10/1042900810.db2.gz AUQLWPUUQIVMBZ-UHFFFAOYSA-N 0 3 308.400 4.500 20 30 DIEDHN CC(C)(C)OC(=O)Nc1ccsc1CNCC(C)(C)CC#N ZINC000894854464 1042989294 /nfs/dbraw/zinc/98/92/94/1042989294.db2.gz CIRCABKPGBFRGQ-UHFFFAOYSA-N 0 3 323.462 4.125 20 30 DIEDHN Cc1nn(C(C)C)c(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000894964776 1043051796 /nfs/dbraw/zinc/05/17/96/1043051796.db2.gz YHMFDOMJDWQGRM-HXUWFJFHSA-N 0 3 322.456 4.120 20 30 DIEDHN CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1[O-] ZINC000794826991 1043066054 /nfs/dbraw/zinc/06/60/54/1043066054.db2.gz GOVRFSGQBYDHDC-RTBURBONSA-N 0 3 306.409 4.301 20 30 DIEDHN N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000176962712 1043101894 /nfs/dbraw/zinc/10/18/94/1043101894.db2.gz IBCVJYUIJFRRLS-QGZVFWFLSA-N 0 3 300.402 4.390 20 30 DIEDHN CC[C@H](C)[C@H](C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491700 1043183131 /nfs/dbraw/zinc/18/31/31/1043183131.db2.gz OZENRJQYGRETHW-KBPBESRZSA-N 0 3 324.428 4.007 20 30 DIEDHN N#CCC1(CN[C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866351809 1043186325 /nfs/dbraw/zinc/18/63/25/1043186325.db2.gz RMIZRFZTXHCCGY-LJQANCHMSA-N 0 3 305.425 4.039 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881696 1043340313 /nfs/dbraw/zinc/34/03/13/1043340313.db2.gz AZIZIZSACHCMBZ-KBXCAEBGSA-N 0 3 324.424 4.377 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767419 1043420526 /nfs/dbraw/zinc/42/05/26/1043420526.db2.gz MQHQCZRHTRXTSY-NRSPTQNISA-N 0 3 320.436 4.226 20 30 DIEDHN COc1cc(CN2CCC[C@@H]2c2ccc(C)s2)ccc1C#N ZINC000442894605 1043451783 /nfs/dbraw/zinc/45/17/83/1043451783.db2.gz ZSQUJTZCARHNEW-MRXNPFEDSA-N 0 3 312.438 4.274 20 30 DIEDHN CC(C)CN(CCOCCC#N)[C@H](C)c1ccccc1Cl ZINC000339170005 1043457350 /nfs/dbraw/zinc/45/73/50/1043457350.db2.gz NGBTZRYKNSAIPV-OAHLLOKOSA-N 0 3 308.853 4.289 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(C(F)(F)F)s1)CC2 ZINC000872107459 1043460710 /nfs/dbraw/zinc/46/07/10/1043460710.db2.gz MOVNLGAGRCONEX-CQSZACIVSA-N 0 3 322.355 4.416 20 30 DIEDHN C=CCOc1ccccc1CNCc1cc2c(s1)CCCC2 ZINC000521828734 1043480669 /nfs/dbraw/zinc/48/06/69/1043480669.db2.gz WGZSELZDFKTCAT-UHFFFAOYSA-N 0 3 313.466 4.482 20 30 DIEDHN CC[C@@H](CC#N)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000558575591 1043547021 /nfs/dbraw/zinc/54/70/21/1043547021.db2.gz PWPUEHAOXGLCRF-NRFANRHFSA-N 0 3 306.453 4.370 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 ZINC000124675959 1043560445 /nfs/dbraw/zinc/56/04/45/1043560445.db2.gz CLAZADKOFVEAMP-CQSZACIVSA-N 0 3 312.388 4.141 20 30 DIEDHN Cc1ccc(C(C)(C)NCc2cccc(OCCCC#N)c2)cn1 ZINC000353140028 1043587242 /nfs/dbraw/zinc/58/72/42/1043587242.db2.gz FFRKRDNBCPNOTJ-UHFFFAOYSA-N 0 3 323.440 4.098 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCSc3ccccc31)CC2 ZINC000353272300 1043595772 /nfs/dbraw/zinc/59/57/72/1043595772.db2.gz LNEBSALWOZJDKL-ZWKOTPCHSA-N 0 3 306.434 4.372 20 30 DIEDHN COc1cc(CN[C@H]2CC[C@H](C)c3ccccc32)ccc1C#N ZINC000353626856 1043624584 /nfs/dbraw/zinc/62/45/84/1043624584.db2.gz UYDVDRDNPDQMMZ-LIRRHRJNSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000353881260 1043652352 /nfs/dbraw/zinc/65/23/52/1043652352.db2.gz LCPREFYBQBEFDX-NRFANRHFSA-N 0 3 318.420 4.290 20 30 DIEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C)c(C#N)c1)CCS2 ZINC000926967644 1043663365 /nfs/dbraw/zinc/66/33/65/1043663365.db2.gz WFHXNNOMDBKUOH-GOSISDBHSA-N 0 3 324.449 4.202 20 30 DIEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2CCCCC2)n1 ZINC000876931151 1043726929 /nfs/dbraw/zinc/72/69/29/1043726929.db2.gz JTZQQCDWURNEEO-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN C[C@H](CCc1cncc2ccccc21)NCC1(C#N)CCCC1 ZINC000877609687 1043779542 /nfs/dbraw/zinc/77/95/42/1043779542.db2.gz NBJLVOALOOOUBB-MRXNPFEDSA-N 0 3 307.441 4.229 20 30 DIEDHN C=CCOc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000356287529 1043830495 /nfs/dbraw/zinc/83/04/95/1043830495.db2.gz UNJILFLNWVKGBG-LJQANCHMSA-N 0 3 313.441 4.025 20 30 DIEDHN CC(=O)[C@@](C#N)(CCN1CCC2(CCCC2)CC1)c1ccccc1 ZINC000878120936 1043849433 /nfs/dbraw/zinc/84/94/33/1043849433.db2.gz DWFFSXFCVNWFCD-NRFANRHFSA-N 0 3 324.468 4.083 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N[C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782049 1043875859 /nfs/dbraw/zinc/87/58/59/1043875859.db2.gz KHSVMHHVININDX-WMZOPIPTSA-N 0 3 323.465 4.368 20 30 DIEDHN CC(=O)[C@@](C#N)(CCN1CCCC2(CCCC2)C1)c1ccccc1 ZINC000878481309 1043895544 /nfs/dbraw/zinc/89/55/44/1043895544.db2.gz OHWNCVOZJXSMFS-NRFANRHFSA-N 0 3 324.468 4.083 20 30 DIEDHN N#CC1CCC(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000930655111 1043952447 /nfs/dbraw/zinc/95/24/47/1043952447.db2.gz NENODJBYEJMAQM-RJYAGPCLSA-N 0 3 322.456 4.420 20 30 DIEDHN COc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1C ZINC000930886381 1043972136 /nfs/dbraw/zinc/97/21/36/1043972136.db2.gz FREGDWQVVWRHQS-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN C=C(C)COCCN[C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358262067 1044043813 /nfs/dbraw/zinc/04/38/13/1044043813.db2.gz CXTAXCYNZMWBFT-MRXNPFEDSA-N 0 3 309.837 4.044 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146942 1044096610 /nfs/dbraw/zinc/09/66/10/1044096610.db2.gz ARZUNVDXOIJIAP-RTBURBONSA-N 0 3 309.384 4.176 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000932180948 1044107913 /nfs/dbraw/zinc/10/79/13/1044107913.db2.gz XPVBFGWRTPTVLB-CQSZACIVSA-N 0 3 323.396 4.247 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(F)ccc2C)c1 ZINC000778087049 1044127697 /nfs/dbraw/zinc/12/76/97/1044127697.db2.gz BEJQJXSZUAIKHK-GOSISDBHSA-N 0 3 312.388 4.105 20 30 DIEDHN N#CC1(c2ccccn2)CCN(CC/C=C\c2ccccc2)CC1 ZINC000562708447 1044152335 /nfs/dbraw/zinc/15/23/35/1044152335.db2.gz NWNAOBFKQXGCRN-YHYXMXQVSA-N 0 3 317.436 4.042 20 30 DIEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CCC1 ZINC000933304842 1044192028 /nfs/dbraw/zinc/19/20/28/1044192028.db2.gz UCIFBHDYHOFRGE-HOTGVXAUSA-N 0 3 312.457 4.063 20 30 DIEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CCC1 ZINC000933304841 1044192448 /nfs/dbraw/zinc/19/24/48/1044192448.db2.gz UCIFBHDYHOFRGE-CVEARBPZSA-N 0 3 312.457 4.063 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(Cc2cccs2)C2CC2)cc1 ZINC000130244810 1044195364 /nfs/dbraw/zinc/19/53/64/1044195364.db2.gz DKNGSIJXWGCYLH-CQSZACIVSA-N 0 3 312.438 4.204 20 30 DIEDHN CC(C)c1ccc([C@H](C)N2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647823 1044203925 /nfs/dbraw/zinc/20/39/25/1044203925.db2.gz IGGJNCNLGACMBR-INIZCTEOSA-N 0 3 313.441 4.209 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCOc3ccccc32)cc1 ZINC000133529472 1044411619 /nfs/dbraw/zinc/41/16/19/1044411619.db2.gz KIGCSFDRNBSIIP-UZLBHIALSA-N 0 3 321.420 4.263 20 30 DIEDHN N#CC(C(=O)c1cncc2ccccc21)c1nccc2ccccc21 ZINC000361541673 1044417555 /nfs/dbraw/zinc/41/75/55/1044417555.db2.gz RSVMDVJZTJLWTJ-GOSISDBHSA-N 0 3 323.355 4.273 20 30 DIEDHN N#Cc1ccc(CN2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000565458049 1044436486 /nfs/dbraw/zinc/43/64/86/1044436486.db2.gz LWZSUGACCQSOHY-KONDSOJQSA-N 0 3 317.436 4.411 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000566649684 1044505151 /nfs/dbraw/zinc/50/51/51/1044505151.db2.gz MNMDHXAICSBCQQ-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000186608707 1044511033 /nfs/dbraw/zinc/51/10/33/1044511033.db2.gz RKDWOXKMDMYYBP-HNNXBMFYSA-N 0 3 304.393 4.114 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@](C)(OC)CC2)cc1Cl ZINC000475572186 1044515890 /nfs/dbraw/zinc/51/58/90/1044515890.db2.gz OLODAGMXIUIODJ-SFHVURJKSA-N 0 3 323.864 4.296 20 30 DIEDHN C[C@H](N[C@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861785 1044568139 /nfs/dbraw/zinc/56/81/39/1044568139.db2.gz GPZZBWDBPLYHKW-LRDDRELGSA-N 0 3 311.816 4.335 20 30 DIEDHN CSc1ccc(CNCc2ccc(SC)c(C#N)c2)s1 ZINC000886277382 1044628789 /nfs/dbraw/zinc/62/87/89/1044628789.db2.gz OUKMKSLJUKRVFV-UHFFFAOYSA-N 0 3 320.508 4.353 20 30 DIEDHN C#CC[C@H]1CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000886360569 1044634581 /nfs/dbraw/zinc/63/45/81/1044634581.db2.gz YBXOTFNJVRSIQI-AWEZNQCLSA-N 0 3 314.816 4.149 20 30 DIEDHN CSc1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000886688589 1044681044 /nfs/dbraw/zinc/68/10/44/1044681044.db2.gz VTSIYRIYXMGGJN-ZDUSSCGKSA-N 0 3 324.449 4.066 20 30 DIEDHN CC[C@@H](C)[C@@H](C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717312 1044691692 /nfs/dbraw/zinc/69/16/92/1044691692.db2.gz ZMXUGMOQZABCNH-ZIAGYGMSSA-N 0 3 324.428 4.007 20 30 DIEDHN C[C@@H](Cc1ccc(Br)cc1)NC1(CC#N)CCCC1 ZINC001257561584 1044695433 /nfs/dbraw/zinc/69/54/33/1044695433.db2.gz QLFHIRFZGMKRLA-ZDUSSCGKSA-N 0 3 321.262 4.196 20 30 DIEDHN CC(C)n1ncc2c1[C@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158817 1044767957 /nfs/dbraw/zinc/76/79/57/1044767957.db2.gz JAONHXNYFXHSTH-RDTXWAMCSA-N 0 3 308.429 4.064 20 30 DIEDHN N#Cc1csc(CNCC2(c3ccccc3)CCCCC2)n1 ZINC000570671495 1044773864 /nfs/dbraw/zinc/77/38/64/1044773864.db2.gz TUGOOLXFSIYDML-UHFFFAOYSA-N 0 3 311.454 4.006 20 30 DIEDHN CC(C)C[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123528896 1044785966 /nfs/dbraw/zinc/78/59/66/1044785966.db2.gz YBMDNBBCAIJJMD-KRWDZBQOSA-N 0 3 324.428 4.009 20 30 DIEDHN CC(C)C[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123529099 1044786251 /nfs/dbraw/zinc/78/62/51/1044786251.db2.gz YBMDNBBCAIJJMD-QGZVFWFLSA-N 0 3 324.428 4.009 20 30 DIEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000264131499 1044853939 /nfs/dbraw/zinc/85/39/39/1044853939.db2.gz MRXMDCKRCOPHHI-LJQANCHMSA-N 0 3 310.372 4.065 20 30 DIEDHN CC(C)(NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000264548057 1044889287 /nfs/dbraw/zinc/88/92/87/1044889287.db2.gz KJAJMMGTEFMTCM-UHFFFAOYSA-N 0 3 314.816 4.267 20 30 DIEDHN N#CCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000264558885 1044895018 /nfs/dbraw/zinc/89/50/18/1044895018.db2.gz NQXAMGVDMMYZBD-IBGZPJMESA-N 0 3 310.372 4.065 20 30 DIEDHN C=CCC[C@@H](NCc1ccccc1-n1ccnc1)c1ccco1 ZINC000373700358 1045004157 /nfs/dbraw/zinc/00/41/57/1045004157.db2.gz MJDVDYJJKBCEGN-QGZVFWFLSA-N 0 3 307.397 4.262 20 30 DIEDHN COc1ccc(OC)c([C@@H](C)NCCC2(C#N)CCCCC2)c1 ZINC000411440366 1045008653 /nfs/dbraw/zinc/00/86/53/1045008653.db2.gz RWIWCBMFFDYZEK-OAHLLOKOSA-N 0 3 316.445 4.219 20 30 DIEDHN COCc1ccc([C@H]2CCCN2CCC2(C#N)CCCCC2)o1 ZINC000411538305 1045019273 /nfs/dbraw/zinc/01/92/73/1045019273.db2.gz DLSXFMNUYPCDJF-QGZVFWFLSA-N 0 3 316.445 4.427 20 30 DIEDHN Cc1cnc(C2CCN(CCC3(C#N)CCCCC3)CC2)s1 ZINC000411632195 1045020208 /nfs/dbraw/zinc/02/02/08/1045020208.db2.gz DVKMEZGSSJZOIC-UHFFFAOYSA-N 0 3 317.502 4.495 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153720835 1045062360 /nfs/dbraw/zinc/06/23/60/1045062360.db2.gz YUKSZOKUGRQIRO-UGSOOPFHSA-N 0 3 309.369 4.268 20 30 DIEDHN C[C@@H]1CC2(CCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000576557763 1045066420 /nfs/dbraw/zinc/06/64/20/1045066420.db2.gz FDMRYIJZJYGMIZ-GFCCVEGCSA-N 0 3 308.347 4.342 20 30 DIEDHN CC(C)O[C@H](CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000428458767 1045066703 /nfs/dbraw/zinc/06/67/03/1045066703.db2.gz JFDJCPBUSAYUDU-HXUWFJFHSA-N 0 3 308.425 4.156 20 30 DIEDHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CCCCC1 ZINC000412570397 1045093708 /nfs/dbraw/zinc/09/37/08/1045093708.db2.gz IGQULYXTWZZEFF-UHFFFAOYSA-N 0 3 318.436 4.352 20 30 DIEDHN CCO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549535 1045145829 /nfs/dbraw/zinc/14/58/29/1045145829.db2.gz FGORLGDBLNJCBD-IFXJQAMLSA-N 0 3 312.388 4.126 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276891 1045211080 /nfs/dbraw/zinc/21/10/80/1045211080.db2.gz QYEYBSNNBUPTKH-GGPKGHCWSA-N 0 3 305.425 4.037 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305030 1045214356 /nfs/dbraw/zinc/21/43/56/1045214356.db2.gz RAGDMGHQPZGCGY-BLLLJJGKSA-N 0 3 321.380 4.207 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073088 1045222151 /nfs/dbraw/zinc/22/21/51/1045222151.db2.gz AAEXLBYCCQDMRI-DNVCBOLYSA-N 0 3 310.441 4.277 20 30 DIEDHN C=CCOc1ccc(CN2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000448369940 1045238148 /nfs/dbraw/zinc/23/81/48/1045238148.db2.gz DBQBPPNUOWJEQB-ZBFHGGJFSA-N 0 3 323.864 4.030 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000189371584 1045346268 /nfs/dbraw/zinc/34/62/68/1045346268.db2.gz LAIGGSAKUXKQDJ-OXJNMPFZSA-N 0 3 321.420 4.181 20 30 DIEDHN Cc1csc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000449480660 1045398776 /nfs/dbraw/zinc/39/87/76/1045398776.db2.gz OYGMTHDGVUYNOM-UHFFFAOYSA-N 0 3 300.427 4.029 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cocc2C)cc1 ZINC000528921601 1045429188 /nfs/dbraw/zinc/42/91/88/1045429188.db2.gz YOKDRSLRYMJELU-WBMJQRKESA-N 0 3 324.380 4.063 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccn(CC(F)(F)F)n2)CCCC1(C)C ZINC000450863116 1045580844 /nfs/dbraw/zinc/58/08/44/1045580844.db2.gz GJECVFHKGVHFRY-AWEZNQCLSA-N 0 3 315.383 4.012 20 30 DIEDHN C=C(Br)CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000381741609 1045583348 /nfs/dbraw/zinc/58/33/48/1045583348.db2.gz PAWJODPUMHXAIT-MNOVXSKESA-N 0 3 302.643 4.330 20 30 DIEDHN C=C(Br)CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000381741618 1045583745 /nfs/dbraw/zinc/58/37/45/1045583745.db2.gz PAWJODPUMHXAIT-WDEREUQCSA-N 0 3 302.643 4.330 20 30 DIEDHN N#CC(C(=O)[C@H]1CCCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000800383953 1045613201 /nfs/dbraw/zinc/61/32/01/1045613201.db2.gz JYACFKNWWCAPDF-KBPBESRZSA-N 0 3 314.335 4.237 20 30 DIEDHN N#CC(C(=O)c1ccc2ccccc2c1)c1cnc2ccccc2n1 ZINC000190909743 1045630044 /nfs/dbraw/zinc/63/00/44/1045630044.db2.gz LUZIZPLGELRFPO-KRWDZBQOSA-N 0 3 323.355 4.273 20 30 DIEDHN Cc1cc(O)c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000751932611 1045642502 /nfs/dbraw/zinc/64/25/02/1045642502.db2.gz PQFAKRXXSGQZIM-WOJBJXKFSA-N 0 3 320.436 4.281 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)C(F)(F)F)c([O-])c1 ZINC000800790754 1045648573 /nfs/dbraw/zinc/64/85/73/1045648573.db2.gz UELUZAJRRLVESR-JMIUGGIZSA-N 0 3 316.367 4.246 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000629202210 1045654447 /nfs/dbraw/zinc/65/44/47/1045654447.db2.gz SVHZVJOGLRFSQO-SJORKVTESA-N 0 3 322.452 4.080 20 30 DIEDHN Cn1cc(CN[C@H](Cc2ccccc2)c2cccs2)cc1C#N ZINC000191102831 1045656108 /nfs/dbraw/zinc/65/61/08/1045656108.db2.gz ZYNFUYPQCYGGKN-GOSISDBHSA-N 0 3 321.449 4.032 20 30 DIEDHN Cn1cc(CN[C@@H](c2cccc(F)c2)C2CCCC2)cc1C#N ZINC000191314944 1045677735 /nfs/dbraw/zinc/67/77/35/1045677735.db2.gz QRJYMQMDIQGLLD-LJQANCHMSA-N 0 3 311.404 4.057 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000800991165 1045678338 /nfs/dbraw/zinc/67/83/38/1045678338.db2.gz ZACAEMHIWJCWLV-ZDUSSCGKSA-N 0 3 313.832 4.128 20 30 DIEDHN Cc1[nH]c2c(cc(C)cc2CNCc2cc(C#N)cs2)c1C ZINC000530879588 1045745266 /nfs/dbraw/zinc/74/52/66/1045745266.db2.gz INVJKQMFMKGLGL-UHFFFAOYSA-N 0 3 309.438 4.316 20 30 DIEDHN CCCC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[O-] ZINC000801595437 1045747752 /nfs/dbraw/zinc/74/77/52/1045747752.db2.gz BGVNQAVEGTWPBT-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[O-] ZINC000801595437 1045747759 /nfs/dbraw/zinc/74/77/59/1045747759.db2.gz BGVNQAVEGTWPBT-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN CCCCN(Cc1ccccc1O)Cc1ccc(C#N)cc1F ZINC000801595543 1045749543 /nfs/dbraw/zinc/74/95/43/1045749543.db2.gz NIFGUIXAISJSNH-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN CC1=C(c2ccco2)CN(CCCOc2ccc(C#N)cc2)CC1 ZINC000801602436 1045753276 /nfs/dbraw/zinc/75/32/76/1045753276.db2.gz IDVCOJFMYIPPPO-UHFFFAOYSA-N 0 3 322.408 4.100 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000192150094 1045786400 /nfs/dbraw/zinc/78/64/00/1045786400.db2.gz HBEXYEBPRSIRIV-CQSZACIVSA-N 0 3 312.388 4.335 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1C ZINC000753688869 1045791760 /nfs/dbraw/zinc/79/17/60/1045791760.db2.gz WABUTXSZQYCWJT-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN C[C@@]1(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000828589202 1045918063 /nfs/dbraw/zinc/91/80/63/1045918063.db2.gz GEXNDYXTAQSSTA-INIZCTEOSA-N 0 3 321.251 4.231 20 30 DIEDHN C[C@@H](c1ccco1)N(CCCOc1ccc(C#N)cc1)C1CC1 ZINC000754875929 1045936974 /nfs/dbraw/zinc/93/69/74/1045936974.db2.gz QMMYVIILDOQGFW-HNNXBMFYSA-N 0 3 310.397 4.146 20 30 DIEDHN C=CCSCCN[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453130275 1045953106 /nfs/dbraw/zinc/95/31/06/1045953106.db2.gz GHWPQWPCMCOHTG-OAHLLOKOSA-N 0 3 314.454 4.444 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)ccc2NC)c1 ZINC000902244762 1045955604 /nfs/dbraw/zinc/95/56/04/1045955604.db2.gz YGTSRYLLTBTRKS-SFHVURJKSA-N 0 3 323.440 4.008 20 30 DIEDHN CN(c1ccc(C#N)cc1)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001137899737 1046005296 /nfs/dbraw/zinc/00/52/96/1046005296.db2.gz DYDRXBQYMHISRZ-UHFFFAOYSA-N 0 3 317.436 4.312 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193491829 1046021028 /nfs/dbraw/zinc/02/10/28/1046021028.db2.gz IMFRCAAYRPDYEK-MLGOLLRUSA-N 0 3 324.380 4.063 20 30 DIEDHN CCNc1ccccc1CNCc1ccc(SC)c(C#N)c1 ZINC000902646562 1046038443 /nfs/dbraw/zinc/03/84/43/1046038443.db2.gz PLNFCBRTRYYWHF-UHFFFAOYSA-N 0 3 311.454 4.002 20 30 DIEDHN CCC1(CC)CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000756023737 1046040567 /nfs/dbraw/zinc/04/05/67/1046040567.db2.gz RDJPAXSIHQPJEF-UHFFFAOYSA-N 0 3 306.837 4.254 20 30 DIEDHN C[C@H](NCCc1ccc(Cl)cc1Cl)c1cc(C#N)ccn1 ZINC000902720862 1046049074 /nfs/dbraw/zinc/04/90/74/1046049074.db2.gz OOKDBXRXQBJWGT-NSHDSACASA-N 0 3 320.223 4.153 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726422 1046051824 /nfs/dbraw/zinc/05/18/24/1046051824.db2.gz PCSHAVSAWKSVPS-RDTXWAMCSA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@H](NC1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000453364673 1046065859 /nfs/dbraw/zinc/06/58/59/1046065859.db2.gz SFJYLSLBQQNEQF-ZDUSSCGKSA-N 0 3 312.363 4.262 20 30 DIEDHN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766684 1046067361 /nfs/dbraw/zinc/06/73/61/1046067361.db2.gz PRIRLBCXBVCSNT-CABCVRRESA-N 0 3 322.408 4.065 20 30 DIEDHN N#CC(C(=O)CC1CCCC1)c1nc2ccccc2n1C(F)F ZINC000193769076 1046070547 /nfs/dbraw/zinc/07/05/47/1046070547.db2.gz HZEPQPFUBUHSRU-LBPRGKRZSA-N 0 3 317.339 4.188 20 30 DIEDHN Cc1c2ccccc2oc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000194060337 1046093602 /nfs/dbraw/zinc/09/36/02/1046093602.db2.gz ZERDXMUVGBNHCO-HNNXBMFYSA-N 0 3 320.392 4.494 20 30 DIEDHN C#CCN(Cc1ccc2ncccc2c1)[C@@H]1CCc2ccccc21 ZINC001138111860 1046096815 /nfs/dbraw/zinc/09/68/15/1046096815.db2.gz TVKNWKQHPOWUKS-JOCHJYFZSA-N 0 3 312.416 4.358 20 30 DIEDHN CC[C@@H](NC1(c2ccc(OC)cc2)CC1)c1cccc(C#N)c1 ZINC000902911368 1046108266 /nfs/dbraw/zinc/10/82/66/1046108266.db2.gz AFCDMPHYMNXDMK-LJQANCHMSA-N 0 3 306.409 4.297 20 30 DIEDHN CCC[C@@H](NCc1cccc(O[C@H](C#N)CC)c1)c1cccnc1 ZINC000756709697 1046121638 /nfs/dbraw/zinc/12/16/38/1046121638.db2.gz NPYPGUBHQXGGBL-AZUAARDMSA-N 0 3 323.440 4.394 20 30 DIEDHN C=CCC[C@@H](NCc1cnc(CCC)o1)[C@]1(C)CCCCO1 ZINC000903012550 1046140916 /nfs/dbraw/zinc/14/09/16/1046140916.db2.gz QLIDZBJHRUSNHS-AEFFLSMTSA-N 0 3 306.450 4.011 20 30 DIEDHN CCc1cccc2c(CN(C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC001138360727 1046156772 /nfs/dbraw/zinc/15/67/72/1046156772.db2.gz AUYMBZXZPYJLNL-UHFFFAOYSA-N 0 3 303.409 4.234 20 30 DIEDHN COc1ccc2c(c1Cl)[C@H](NCC1(CC#N)CC1)CCC2 ZINC000903168566 1046182818 /nfs/dbraw/zinc/18/28/18/1046182818.db2.gz XPUATKDEXCXXLD-CYBMUJFWSA-N 0 3 304.821 4.009 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1C ZINC000903234981 1046202434 /nfs/dbraw/zinc/20/24/34/1046202434.db2.gz UMLHHEFCDBRZIL-KUHUBIRLSA-N 0 3 306.409 4.213 20 30 DIEDHN CC[C@]1(C)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168163504 1046220152 /nfs/dbraw/zinc/22/01/52/1046220152.db2.gz NQOAFNHTUGMFTE-MRXNPFEDSA-N 0 3 311.347 4.059 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2ccnc2C)cc1 ZINC001138548237 1046223022 /nfs/dbraw/zinc/22/30/22/1046223022.db2.gz BGKDUMMPBHMYPZ-UHFFFAOYSA-N 0 3 317.436 4.369 20 30 DIEDHN C=CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000757924188 1046228035 /nfs/dbraw/zinc/22/80/35/1046228035.db2.gz XVGAJMNPSXFNCE-UHFFFAOYSA-N 0 3 309.409 4.122 20 30 DIEDHN C=CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000757924188 1046228048 /nfs/dbraw/zinc/22/80/48/1046228048.db2.gz XVGAJMNPSXFNCE-UHFFFAOYSA-N 0 3 309.409 4.122 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000831938099 1046228658 /nfs/dbraw/zinc/22/86/58/1046228658.db2.gz YEHLUIJWCXNMEH-SJORKVTESA-N 0 3 308.510 4.140 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC001138628201 1046247567 /nfs/dbraw/zinc/24/75/67/1046247567.db2.gz QJFDTCFBQAQDHN-QGZVFWFLSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC001138628201 1046247580 /nfs/dbraw/zinc/24/75/80/1046247580.db2.gz QJFDTCFBQAQDHN-QGZVFWFLSA-N 0 3 311.400 4.249 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903336047 1046248934 /nfs/dbraw/zinc/24/89/34/1046248934.db2.gz VGSJVPFLDHGPIL-UYAOXDASSA-N 0 3 303.409 4.072 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c1[O-] ZINC001138630070 1046248949 /nfs/dbraw/zinc/24/89/49/1046248949.db2.gz PWPKUPRRGNIFNF-IBGZPJMESA-N 0 3 308.425 4.161 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c1[O-] ZINC001138630070 1046248960 /nfs/dbraw/zinc/24/89/60/1046248960.db2.gz PWPKUPRRGNIFNF-IBGZPJMESA-N 0 3 308.425 4.161 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000245714005 1046262564 /nfs/dbraw/zinc/26/25/64/1046262564.db2.gz GNNRQJIUXNJJEI-QINHECLXSA-N 0 3 306.409 4.170 20 30 DIEDHN C#CCCCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000758498022 1046273305 /nfs/dbraw/zinc/27/33/05/1046273305.db2.gz UQQRQQSGJMIYDM-UHFFFAOYSA-N 0 3 304.846 4.357 20 30 DIEDHN CCOc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000610675323 1046337580 /nfs/dbraw/zinc/33/75/80/1046337580.db2.gz AGPSWVHUJCNKLE-UHFFFAOYSA-N 0 3 323.440 4.010 20 30 DIEDHN C=CCC[C@H](NCc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000638785514 1046343355 /nfs/dbraw/zinc/34/33/55/1046343355.db2.gz WPXDJCNUPLAPDX-INIZCTEOSA-N 0 3 318.367 4.041 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCCC(C)C)c1 ZINC000749025480 1046423082 /nfs/dbraw/zinc/42/30/82/1046423082.db2.gz GOKQQKNKVQYFLN-QGZVFWFLSA-N 0 3 314.429 4.249 20 30 DIEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000246794040 1046425616 /nfs/dbraw/zinc/42/56/16/1046425616.db2.gz MMERSMPYWWXSEL-UPJWGTAASA-N 0 3 322.389 4.178 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001254642181 1046433061 /nfs/dbraw/zinc/43/30/61/1046433061.db2.gz FFBQJLVQISGQSQ-RNCFNFMXSA-N 0 3 302.727 4.141 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(-c2cnccn2)cc1 ZINC001139393619 1046442475 /nfs/dbraw/zinc/44/24/75/1046442475.db2.gz XYCOOIHQZWIKKZ-UHFFFAOYSA-N 0 3 315.420 4.332 20 30 DIEDHN N#Cc1ccc(Oc2ccc(CN3CCC4(CCC4)C3)cn2)cc1 ZINC001139427468 1046451193 /nfs/dbraw/zinc/45/11/93/1046451193.db2.gz HEXQWCWZIIIVKA-UHFFFAOYSA-N 0 3 319.408 4.122 20 30 DIEDHN C=CCN(C)Cc1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC001139483351 1046454839 /nfs/dbraw/zinc/45/48/39/1046454839.db2.gz DTERCGJLDVNNMQ-UHFFFAOYSA-N 0 3 306.331 4.385 20 30 DIEDHN COc1cccc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001139531252 1046464742 /nfs/dbraw/zinc/46/47/42/1046464742.db2.gz SKAZYEQWCXYOHK-SFHVURJKSA-N 0 3 324.399 4.086 20 30 DIEDHN CCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1CC ZINC001139624490 1046491056 /nfs/dbraw/zinc/49/10/56/1046491056.db2.gz JYQXLPUQYDNAIW-UHFFFAOYSA-N 0 3 308.425 4.151 20 30 DIEDHN CN(Cc1ccc(-c2cccnc2)cc1)Cc1cccc(C#N)c1 ZINC001139644987 1046492954 /nfs/dbraw/zinc/49/29/54/1046492954.db2.gz XTUNMEVZHGLTHG-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2cccnc2)cc1 ZINC001139644129 1046493545 /nfs/dbraw/zinc/49/35/45/1046493545.db2.gz VEKCLNPSOMGPOS-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C[C@H]1CC[C@@]2(CCN(Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108727 1046494414 /nfs/dbraw/zinc/49/44/14/1046494414.db2.gz VFSQKSDOBWXDIX-KBXCAEBGSA-N 0 3 318.848 4.254 20 30 DIEDHN C[C@@H]1c2ccccc2CCN1Cc1c[nH]c2c1cccc2C#N ZINC001139701208 1046501357 /nfs/dbraw/zinc/50/13/57/1046501357.db2.gz CNSGHJVCTXIOEL-CQSZACIVSA-N 0 3 301.393 4.159 20 30 DIEDHN CN(Cc1c[nH]c2c1cccc2C#N)Cc1cccc(Cl)c1 ZINC001139705755 1046502670 /nfs/dbraw/zinc/50/26/70/1046502670.db2.gz ZBJBCUMAKJRIGY-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000536594458 1046507955 /nfs/dbraw/zinc/50/79/55/1046507955.db2.gz JUEVQABAMRFOPI-LJQANCHMSA-N 0 3 306.409 4.076 20 30 DIEDHN C(#CC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC001137320792 1046550615 /nfs/dbraw/zinc/55/06/15/1046550615.db2.gz KRJHPDBDQMYPFU-UHFFFAOYSA-N 0 3 314.432 4.432 20 30 DIEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CC(F)(F)C4)CC3)c2c1 ZINC001140110018 1046590542 /nfs/dbraw/zinc/59/05/42/1046590542.db2.gz DFJVDZAHMJMFJK-UHFFFAOYSA-N 0 3 315.367 4.051 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(OCOCC)cc1 ZINC000783415719 1046591400 /nfs/dbraw/zinc/59/14/00/1046591400.db2.gz TUTWQFRRDLCUJL-UHFFFAOYSA-N 0 3 311.425 4.248 20 30 DIEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CC[C@@H](F)C4)CC3)c2c1 ZINC001140116209 1046593270 /nfs/dbraw/zinc/59/32/70/1046593270.db2.gz VMNZBBAVJDDDSG-MRXNPFEDSA-N 0 3 311.404 4.144 20 30 DIEDHN C=CCN(C)Cc1cn(C(=O)OC(C)(C)C)c2c1cccc2C ZINC001140118450 1046594228 /nfs/dbraw/zinc/59/42/28/1046594228.db2.gz OQDJURKXGUMZFU-UHFFFAOYSA-N 0 3 314.429 4.351 20 30 DIEDHN C=CCN(C)Cc1ccc(-c2cccc(Br)n2)cc1 ZINC001140175806 1046607997 /nfs/dbraw/zinc/60/79/97/1046607997.db2.gz HRBNXDFTUAHQDM-UHFFFAOYSA-N 0 3 317.230 4.129 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1 ZINC000245782545 1046650453 /nfs/dbraw/zinc/65/04/53/1046650453.db2.gz UMFWOLPLTBNMQU-UZLBHIALSA-N 0 3 323.440 4.043 20 30 DIEDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000834904474 1046714459 /nfs/dbraw/zinc/71/44/59/1046714459.db2.gz YNTXNCRFTZVGCK-CQSZACIVSA-N 0 3 311.404 4.004 20 30 DIEDHN C#Cc1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000834902358 1046714569 /nfs/dbraw/zinc/71/45/69/1046714569.db2.gz HCYWXPCJTMDUCY-LJQANCHMSA-N 0 3 303.405 4.204 20 30 DIEDHN C=CCC[C@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820735 1046740403 /nfs/dbraw/zinc/74/04/03/1046740403.db2.gz VYSLPPNSJCHJKT-GJZGRUSLSA-N 0 3 323.795 4.403 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820737 1046741207 /nfs/dbraw/zinc/74/12/07/1046741207.db2.gz VYSLPPNSJCHJKT-HUUCEWRRSA-N 0 3 323.795 4.403 20 30 DIEDHN C[C@H](c1cccc2ccccc21)N(C)Cc1ccc(C#N)nc1 ZINC001140546686 1046777346 /nfs/dbraw/zinc/77/73/46/1046777346.db2.gz QTQHIYAMDHQFKX-OAHLLOKOSA-N 0 3 301.393 4.299 20 30 DIEDHN CCCCCCCN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001140661392 1046843204 /nfs/dbraw/zinc/84/32/04/1046843204.db2.gz CQUVHPJNHXENJZ-UHFFFAOYSA-N 0 3 322.468 4.065 20 30 DIEDHN CC(C)(C)SCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000179224988 1046891535 /nfs/dbraw/zinc/89/15/35/1046891535.db2.gz KXPRDGIFOVFHKW-LBPRGKRZSA-N 0 3 316.426 4.316 20 30 DIEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC001140809966 1046912205 /nfs/dbraw/zinc/91/22/05/1046912205.db2.gz OPTBNHLIACRDSX-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000303742679 1046954376 /nfs/dbraw/zinc/95/43/76/1046954376.db2.gz IXCMLJJSSDLMQO-QAPCUYQASA-N 0 3 308.400 4.384 20 30 DIEDHN N#CC(C(=O)CCCC1CCOCC1)c1ccc2ccccc2n1 ZINC000798814316 1046976959 /nfs/dbraw/zinc/97/69/59/1046976959.db2.gz KDBAMLQLOUOPSR-QGZVFWFLSA-N 0 3 322.408 4.008 20 30 DIEDHN CCCCc1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)[nH]1 ZINC001141071663 1046998211 /nfs/dbraw/zinc/99/82/11/1046998211.db2.gz ZNUFRVBHINMKTB-UHFFFAOYSA-N 0 3 322.456 4.004 20 30 DIEDHN N#CCC1CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141117910 1047020209 /nfs/dbraw/zinc/02/02/09/1047020209.db2.gz BWYPAFXZTLIPOE-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN N#CC1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000799343105 1047020805 /nfs/dbraw/zinc/02/08/05/1047020805.db2.gz AGSCDNITUHOTIX-UHFFFAOYSA-N 0 3 320.436 4.479 20 30 DIEDHN C=CCCOCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000533800477 1047022447 /nfs/dbraw/zinc/02/24/47/1047022447.db2.gz BUTOLEGGTXMTLE-UHFFFAOYSA-N 0 3 305.805 4.282 20 30 DIEDHN CC1(C)CCc2cc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2O1 ZINC001141184925 1047037498 /nfs/dbraw/zinc/03/74/98/1047037498.db2.gz RWHMJTMTVBWCAU-XGWQRUHWSA-N 0 3 310.441 4.057 20 30 DIEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080453635 1047050476 /nfs/dbraw/zinc/05/04/76/1047050476.db2.gz ATWNWFRXGLGDCV-CYBMUJFWSA-N 0 3 314.410 4.074 20 30 DIEDHN C=CCCCCNCc1csc(-c2ccc(OC)cc2)n1 ZINC000681134823 1047102047 /nfs/dbraw/zinc/10/20/47/1047102047.db2.gz NPKXLDLAZPYAGP-UHFFFAOYSA-N 0 3 302.443 4.265 20 30 DIEDHN C=CCCCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000649254667 1047120391 /nfs/dbraw/zinc/12/03/91/1047120391.db2.gz HVQVMKOJISJQQT-GHMZBOCLSA-N 0 3 303.290 4.405 20 30 DIEDHN CCCCCCCCN(C)Cc1cnc(C(F)(F)F)nc1 ZINC001141460255 1047139302 /nfs/dbraw/zinc/13/93/02/1047139302.db2.gz NZOOBTOMOUWRJD-UHFFFAOYSA-N 0 3 303.372 4.288 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000537156253 1047143141 /nfs/dbraw/zinc/14/31/41/1047143141.db2.gz BUUSHHHAFFYADC-SFHVURJKSA-N 0 3 312.388 4.061 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293550 1047161082 /nfs/dbraw/zinc/16/10/82/1047161082.db2.gz WNUDPDSQCWNFQG-LSDHHAIUSA-N 0 3 324.424 4.377 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Nc2ccccc2)CC1 ZINC001116735305 1047173060 /nfs/dbraw/zinc/17/30/60/1047173060.db2.gz STRJCZOKYPGUPY-INIZCTEOSA-N 0 3 305.425 4.196 20 30 DIEDHN C#CCCN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000760297404 1047194665 /nfs/dbraw/zinc/19/46/65/1047194665.db2.gz VRFGQFNFLMKYEQ-GOSISDBHSA-N 0 3 317.404 4.389 20 30 DIEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000925316526 1047254438 /nfs/dbraw/zinc/25/44/38/1047254438.db2.gz HEGIBAZJTCBKMF-LSDHHAIUSA-N 0 3 315.461 4.089 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2cnccc2C(C)(C)C)cc1 ZINC000840856885 1047345823 /nfs/dbraw/zinc/34/58/23/1047345823.db2.gz VVABUQXVZFQRBB-MRXNPFEDSA-N 0 3 322.452 4.242 20 30 DIEDHN CCC[C@H](C)N1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726429161 1047349947 /nfs/dbraw/zinc/34/99/47/1047349947.db2.gz KBDZKKGDBPDIGB-AWEZNQCLSA-N 0 3 324.424 4.353 20 30 DIEDHN CC(C)[C@H](C)N1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726428835 1047350487 /nfs/dbraw/zinc/35/04/87/1047350487.db2.gz HDEIOKYQEAMKMS-AWEZNQCLSA-N 0 3 324.424 4.209 20 30 DIEDHN C#Cc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000840962142 1047365203 /nfs/dbraw/zinc/36/52/03/1047365203.db2.gz FWGZJKGFVABCAT-OAQYLSRUSA-N 0 3 317.432 4.022 20 30 DIEDHN Cc1cc2cc(CNCc3ccc(O[C@H](C)C#N)cc3)ccc2[nH]1 ZINC000796527561 1047379124 /nfs/dbraw/zinc/37/91/24/1047379124.db2.gz HQPAFRRBZFAOIS-OAHLLOKOSA-N 0 3 319.408 4.057 20 30 DIEDHN N#Cc1ccccc1-c1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000796543327 1047383060 /nfs/dbraw/zinc/38/30/60/1047383060.db2.gz SUCVTBRINGZSBQ-UHFFFAOYSA-N 0 3 312.363 4.456 20 30 DIEDHN CC(C)COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742006 1047407109 /nfs/dbraw/zinc/40/71/09/1047407109.db2.gz JKLHJROXIKNVSD-NRFANRHFSA-N 0 3 320.436 4.370 20 30 DIEDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000841761026 1047454876 /nfs/dbraw/zinc/45/48/76/1047454876.db2.gz HVOOAVALKBIHKY-IFXJQAMLSA-N 0 3 306.409 4.301 20 30 DIEDHN CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841760232 1047455621 /nfs/dbraw/zinc/45/56/21/1047455621.db2.gz DFSMJQSZROVLOM-RBUKOAKNSA-N 0 3 306.409 4.382 20 30 DIEDHN Cc1ccccc1C1(N[C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000842888834 1047511243 /nfs/dbraw/zinc/51/12/43/1047511243.db2.gz SJYUQVKLXDCZAU-MRXNPFEDSA-N 0 3 306.409 4.237 20 30 DIEDHN C=CCC[C@@H](O)CN(Cc1cccs1)Cc1cccs1 ZINC000121370468 1047520235 /nfs/dbraw/zinc/52/02/35/1047520235.db2.gz IHRVOQPVNYRZNK-CQSZACIVSA-N 0 3 307.484 4.139 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@@H](OC(C)(C)C)C2)c([O-])c1 ZINC000843265020 1047535968 /nfs/dbraw/zinc/53/59/68/1047535968.db2.gz SNXPFOTUDDBBHJ-WXZBIRPKSA-N 0 3 318.461 4.003 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3ccccc3c2)cc1 ZINC000237496114 1047607234 /nfs/dbraw/zinc/60/72/34/1047607234.db2.gz GDKMJWBERKDYSB-INIZCTEOSA-N 0 3 316.404 4.420 20 30 DIEDHN C=C(CC)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000538013522 1047652341 /nfs/dbraw/zinc/65/23/41/1047652341.db2.gz AJRRVTMSQPJNEJ-LLVKDONJSA-N 0 3 304.381 4.308 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2cc[nH]c21 ZINC000538728226 1047701595 /nfs/dbraw/zinc/70/15/95/1047701595.db2.gz GHVFFOPLEYKSGH-UXHICEINSA-N 0 3 315.420 4.440 20 30 DIEDHN C=C(CC)CNC(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000539095708 1047735983 /nfs/dbraw/zinc/73/59/83/1047735983.db2.gz UCUROOSUHBRCPH-UHFFFAOYSA-N 0 3 311.425 4.349 20 30 DIEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2s1 ZINC000041503529 1047749316 /nfs/dbraw/zinc/74/93/16/1047749316.db2.gz HJUNWYRGLIKXLU-HNNXBMFYSA-N 0 3 318.401 4.275 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001182844661 1047848155 /nfs/dbraw/zinc/84/81/55/1047848155.db2.gz NUQQNVODBKZCTH-IUODEOHRSA-N 0 3 309.837 4.279 20 30 DIEDHN N#CC1(CN[C@H]2CCc3cccc(Cl)c3C2)CCCCC1 ZINC001182929820 1047869795 /nfs/dbraw/zinc/86/97/95/1047869795.db2.gz LDJLQMRJOQUHBJ-HNNXBMFYSA-N 0 3 302.849 4.261 20 30 DIEDHN CC(C)P(CCNC(=S)Nc1cccc(C#N)c1)C(C)C ZINC001197746027 1047878055 /nfs/dbraw/zinc/87/80/55/1047878055.db2.gz FEVXTVMSBGDVFG-UHFFFAOYSA-N 0 3 321.430 4.143 20 30 DIEDHN CCCCCCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001174573841 1047889944 /nfs/dbraw/zinc/88/99/44/1047889944.db2.gz GTOHRHKUMNQRJD-FQEVSTJZSA-N 0 3 315.457 4.457 20 30 DIEDHN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775833826 1047938995 /nfs/dbraw/zinc/93/89/95/1047938995.db2.gz MVYMZMGCTXKVMT-HNNXBMFYSA-N 0 3 312.844 4.108 20 30 DIEDHN Cc1ccc(CN[C@H](C)c2nccc3ccccc32)cc1C#N ZINC001183755119 1047965027 /nfs/dbraw/zinc/96/50/27/1047965027.db2.gz PBTBNLKKXCDTTJ-OAHLLOKOSA-N 0 3 301.393 4.266 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001174779261 1047971378 /nfs/dbraw/zinc/97/13/78/1047971378.db2.gz CFFCUUNDKWBQOG-DVOMOZLQSA-N 0 3 312.240 4.210 20 30 DIEDHN CCCCCCCNCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001199021071 1048023369 /nfs/dbraw/zinc/02/33/69/1048023369.db2.gz BPAZOFAXPLFFQD-UHFFFAOYSA-N 0 3 317.399 4.298 20 30 DIEDHN N#Cc1ccc(Br)c(CN2CCCC3(CC3)CC2)c1 ZINC001175044737 1048107086 /nfs/dbraw/zinc/10/70/86/1048107086.db2.gz JNPWILHEYDBBJW-UHFFFAOYSA-N 0 3 319.246 4.087 20 30 DIEDHN C=CC1(CC(=O)Nc2ccc(CN(C)C)cc2F)CCCCC1 ZINC001161700017 1048156321 /nfs/dbraw/zinc/15/63/21/1048156321.db2.gz OJZHWSJLHQJUBC-UHFFFAOYSA-N 0 3 318.436 4.352 20 30 DIEDHN C[C@H]1CCCCN1Cc1ccc(N[C@@H](C#N)c2ccccc2)nc1 ZINC001161718301 1048158631 /nfs/dbraw/zinc/15/86/31/1048158631.db2.gz UIKGCQHZFWNEHX-LPHOPBHVSA-N 0 3 320.440 4.133 20 30 DIEDHN Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1C#N ZINC001175506297 1048339544 /nfs/dbraw/zinc/33/95/44/1048339544.db2.gz TVCFRILBFACQBR-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN CC(C)Oc1ccccc1CN(C)CCc1cccc(C#N)c1 ZINC001175523095 1048353545 /nfs/dbraw/zinc/35/35/45/1048353545.db2.gz OWAOPOZQBKFKRA-UHFFFAOYSA-N 0 3 308.425 4.020 20 30 DIEDHN C[C@]1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCS1 ZINC000600121500 1048367376 /nfs/dbraw/zinc/36/73/76/1048367376.db2.gz VFHXGRXUCQYJLS-RCCFBDPRSA-N 0 3 300.471 4.044 20 30 DIEDHN Cc1oc(-c2cccs2)nc1CNCC1CCC(C#N)CC1 ZINC001202142524 1048461869 /nfs/dbraw/zinc/46/18/69/1048461869.db2.gz IOBGPYDHQUAMCJ-UHFFFAOYSA-N 0 3 315.442 4.131 20 30 DIEDHN C=CCCCCNCc1nc(-c2cccc(OC)c2)cs1 ZINC001202110698 1048463437 /nfs/dbraw/zinc/46/34/37/1048463437.db2.gz JAYXGCNQMFSGOW-UHFFFAOYSA-N 0 3 302.443 4.265 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Cl)sc1Cl ZINC001202185155 1048473390 /nfs/dbraw/zinc/47/33/90/1048473390.db2.gz YXMRSOBJQJMYGT-BXKDBHETSA-N 0 3 306.258 4.126 20 30 DIEDHN N=C(Nc1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)cc1 ZINC001163680284 1048502760 /nfs/dbraw/zinc/50/27/60/1048502760.db2.gz MNQGUBFTZUBUMR-UHFFFAOYSA-N 0 3 303.287 4.224 20 30 DIEDHN C=CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000850137621 1048620697 /nfs/dbraw/zinc/62/06/97/1048620697.db2.gz QXQKLOCGWGBUSS-LJQANCHMSA-N 0 3 303.409 4.044 20 30 DIEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000850238787 1048627012 /nfs/dbraw/zinc/62/70/12/1048627012.db2.gz BVWWYTAGFJKDTQ-INIZCTEOSA-N 0 3 323.465 4.174 20 30 DIEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000160138013 1048642189 /nfs/dbraw/zinc/64/21/89/1048642189.db2.gz ADQYFYIFQKBUCK-AWEZNQCLSA-N 0 3 313.426 4.129 20 30 DIEDHN C=CCC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000850368684 1048642342 /nfs/dbraw/zinc/64/23/42/1048642342.db2.gz OQSZZRGRBRTPOS-UHFFFAOYSA-N 0 3 323.436 4.274 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000850427955 1048654027 /nfs/dbraw/zinc/65/40/27/1048654027.db2.gz IKPBLEXFZNBUDJ-GJZGRUSLSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cc2cnccc2o1 ZINC000850444629 1048658952 /nfs/dbraw/zinc/65/89/52/1048658952.db2.gz YPVJHFOTJWWISB-KBPBESRZSA-N 0 3 321.380 4.142 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466930 1048666907 /nfs/dbraw/zinc/66/69/07/1048666907.db2.gz YEPNDDHOAAGERM-JLTOFOAXSA-N 0 3 318.420 4.221 20 30 DIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466934 1048667425 /nfs/dbraw/zinc/66/74/25/1048667425.db2.gz YEPNDDHOAAGERM-XOBRGWDASA-N 0 3 318.420 4.221 20 30 DIEDHN N#CC(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1nc2ccccc2[nH]1 ZINC000850738641 1048702742 /nfs/dbraw/zinc/70/27/42/1048702742.db2.gz OKUXYCPXOWZVEZ-BZUAXINKSA-N 0 3 321.424 4.346 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(CF)cc2)n1 ZINC000850872402 1048721501 /nfs/dbraw/zinc/72/15/01/1048721501.db2.gz AWFDSDUCMSZLOY-ZDUSSCGKSA-N 0 3 302.374 4.226 20 30 DIEDHN N#Cc1ccnc(CN(Cc2ccccc2)C2CCCCC2)c1 ZINC001190476577 1048738269 /nfs/dbraw/zinc/73/82/69/1048738269.db2.gz WPMZBXSSUZXCQO-UHFFFAOYSA-N 0 3 305.425 4.288 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413795 1048788296 /nfs/dbraw/zinc/78/82/96/1048788296.db2.gz BUAWFZZAIKSGBQ-LEWJYISDSA-N 0 3 300.405 4.290 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413798 1048789194 /nfs/dbraw/zinc/78/91/94/1048789194.db2.gz BUAWFZZAIKSGBQ-SFTDATJTSA-N 0 3 300.405 4.290 20 30 DIEDHN C=CCCCN(CC)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC001176797864 1048790082 /nfs/dbraw/zinc/79/00/82/1048790082.db2.gz GHMYMVHPDOYDEX-IRXDYDNUSA-N 0 3 314.473 4.031 20 30 DIEDHN N#CCOc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000775415150 1048790606 /nfs/dbraw/zinc/79/06/06/1048790606.db2.gz LESCXUKRDDHMAC-UHFFFAOYSA-N 0 3 312.800 4.021 20 30 DIEDHN C[C@@]1(c2ccccc2)CCCN(Cc2cccc(C#N)c2F)C1 ZINC001190944845 1048806793 /nfs/dbraw/zinc/80/67/93/1048806793.db2.gz SSDZMDDGEMCZCK-HXUWFJFHSA-N 0 3 308.400 4.251 20 30 DIEDHN Cc1ccc(CN(Cc2ccc(C#N)c(F)c2)C(C)C)s1 ZINC000483515691 1048811386 /nfs/dbraw/zinc/81/13/86/1048811386.db2.gz DXVWAWDMSNXBSS-UHFFFAOYSA-N 0 3 302.418 4.478 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924787370 1048818131 /nfs/dbraw/zinc/81/81/31/1048818131.db2.gz WRWVEDPPIMETKQ-LSDHHAIUSA-N 0 3 308.425 4.197 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(C#N)c(F)c1 ZINC000483578163 1048821279 /nfs/dbraw/zinc/82/12/79/1048821279.db2.gz HXFQOSLLYODDAM-FQEVSTJZSA-N 0 3 324.399 4.215 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCSC[C@H]1c1ccccc1 ZINC001191038193 1048828836 /nfs/dbraw/zinc/82/88/36/1048828836.db2.gz GJAQRNYVPPXJQZ-FQEVSTJZSA-N 0 3 322.477 4.465 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651226 1048831599 /nfs/dbraw/zinc/83/15/99/1048831599.db2.gz JONFQSKMWNASFL-UBHSHLNASA-N 0 3 317.408 4.435 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852686420 1048855019 /nfs/dbraw/zinc/85/50/19/1048855019.db2.gz URXDJLUSGAVPRP-BHYGNILZSA-N 0 3 309.413 4.289 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000853242760 1048894426 /nfs/dbraw/zinc/89/44/26/1048894426.db2.gz RYOFPFHMMBBZAU-KGLIPLIRSA-N 0 3 324.399 4.434 20 30 DIEDHN CC(C)Oc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776728389 1048963878 /nfs/dbraw/zinc/96/38/78/1048963878.db2.gz FPGHYCFXBUIZKC-AWEZNQCLSA-N 0 3 312.388 4.335 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3ncsc3c2)cc1 ZINC000776806840 1049026264 /nfs/dbraw/zinc/02/62/64/1049026264.db2.gz DNTQSXSNLSEBNK-CQSZACIVSA-N 0 3 322.433 4.159 20 30 DIEDHN CCCCCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001192012689 1049031142 /nfs/dbraw/zinc/03/11/42/1049031142.db2.gz IYJOQVHFAXIAES-SFHVURJKSA-N 0 3 305.462 4.344 20 30 DIEDHN CCCCCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001192012689 1049031155 /nfs/dbraw/zinc/03/11/55/1049031155.db2.gz IYJOQVHFAXIAES-SFHVURJKSA-N 0 3 305.462 4.344 20 30 DIEDHN N#C[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962176 1049046261 /nfs/dbraw/zinc/04/62/61/1049046261.db2.gz HOPDUWGVVCYXKZ-SFHVURJKSA-N 0 3 320.436 4.391 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)ccc2C)c1 ZINC000113960878 1049080242 /nfs/dbraw/zinc/08/02/42/1049080242.db2.gz KVFOZNRWAOKQSW-IBGZPJMESA-N 0 3 308.425 4.274 20 30 DIEDHN C=CCC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CCCC1 ZINC000904622590 1049108560 /nfs/dbraw/zinc/10/85/60/1049108560.db2.gz JZTGJDSKKQKSRD-UHFFFAOYSA-N 0 3 311.429 4.186 20 30 DIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2CC#Cc2ccc(F)cc2)c1 ZINC001192500165 1049111298 /nfs/dbraw/zinc/11/12/98/1049111298.db2.gz HKBGDXULYPOCNN-IERDGZPVSA-N 0 3 323.411 4.269 20 30 DIEDHN COc1ccc(F)cc1[C@H](C)NCCC1(C#N)CCCCC1 ZINC001192663961 1049132845 /nfs/dbraw/zinc/13/28/45/1049132845.db2.gz YFYZYXNZIHPKCD-AWEZNQCLSA-N 0 3 304.409 4.349 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001204332088 1049144709 /nfs/dbraw/zinc/14/47/09/1049144709.db2.gz WBVAENURKXIWKR-GOSISDBHSA-N 0 3 305.421 4.111 20 30 DIEDHN C=CC(C)(C)CCNCc1nc(Cl)ccc1Br ZINC001179237961 1049146317 /nfs/dbraw/zinc/14/63/17/1049146317.db2.gz DHOVCZZSBNMYLY-UHFFFAOYSA-N 0 3 317.658 4.189 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1C ZINC001204441213 1049161643 /nfs/dbraw/zinc/16/16/43/1049161643.db2.gz FXYWVZFOINLNTC-UHFFFAOYSA-N 0 3 311.425 4.200 20 30 DIEDHN C=CCCC[C@@H](NCc1cnc(N(C)C)s1)c1ccccc1 ZINC001179458727 1049168528 /nfs/dbraw/zinc/16/85/28/1049168528.db2.gz ZIJFDELTKPQPKF-QGZVFWFLSA-N 0 3 315.486 4.396 20 30 DIEDHN Cc1c(F)cccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001204513635 1049178257 /nfs/dbraw/zinc/17/82/57/1049178257.db2.gz IXOQPVHZVCOTSX-LJQANCHMSA-N 0 3 324.399 4.049 20 30 DIEDHN COc1cc(CN2CCC(c3cccc(C#N)c3)CC2)ccc1F ZINC001204561761 1049190331 /nfs/dbraw/zinc/19/03/31/1049190331.db2.gz SNOJUIYPCZYIKI-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)c(C)n1C1CCCCC1 ZINC000905080935 1049190984 /nfs/dbraw/zinc/19/09/84/1049190984.db2.gz OMAJDWLOCJYYSF-NGWPFTMJSA-N 0 3 324.428 4.043 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3F)C2)c(F)c1 ZINC001179670438 1049195884 /nfs/dbraw/zinc/19/58/84/1049195884.db2.gz QYJQYOUJDPMAJN-CTYIDZIISA-N 0 3 316.326 4.011 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2[C@H](C)CC[C@H]2C)cc1OC ZINC001204625003 1049205171 /nfs/dbraw/zinc/20/51/71/1049205171.db2.gz IZSJGGAATQIMGA-CHWSQXEVSA-N 0 3 309.837 4.286 20 30 DIEDHN Cc1cc(C)c2c(c1)CN(CCCOc1ccc(C#N)cc1)CC2 ZINC001193526115 1049223083 /nfs/dbraw/zinc/22/30/83/1049223083.db2.gz IKBQCIQIGDALLS-UHFFFAOYSA-N 0 3 320.436 4.002 20 30 DIEDHN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000777007067 1049226239 /nfs/dbraw/zinc/22/62/39/1049226239.db2.gz MSWLJGJSRSYQRV-AWEZNQCLSA-N 0 3 310.372 4.068 20 30 DIEDHN C=C(C)c1ccccc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204751616 1049253056 /nfs/dbraw/zinc/25/30/56/1049253056.db2.gz XPTBUFOWNQYMEF-UHFFFAOYSA-N 0 3 321.468 4.211 20 30 DIEDHN C=CCCCCCN(C)Cc1ccnn1-c1ccccc1OC ZINC001204769767 1049259159 /nfs/dbraw/zinc/25/91/59/1049259159.db2.gz VMAXZLSXMXWWJG-UHFFFAOYSA-N 0 3 313.445 4.059 20 30 DIEDHN C#CCN(Cc1cc2ccncc2s1)[C@@H]1CCc2ccccc21 ZINC001180296734 1049339898 /nfs/dbraw/zinc/33/98/98/1049339898.db2.gz KZDRGQNPRVLOLT-LJQANCHMSA-N 0 3 318.445 4.419 20 30 DIEDHN C#CCCN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001194376702 1049362162 /nfs/dbraw/zinc/36/21/62/1049362162.db2.gz LKBLFGADLSJCGU-QGZVFWFLSA-N 0 3 306.434 4.193 20 30 DIEDHN C/C(=C\c1ccccc1)CN(C)Cc1cc(C#N)ccc1N(C)C ZINC001180866068 1049413338 /nfs/dbraw/zinc/41/33/38/1049413338.db2.gz YNFCOZRISVJRDF-SFQUDFHCSA-N 0 3 319.452 4.160 20 30 DIEDHN CCN(Cc1ccccc1Br)C[C@H](C)CCC#N ZINC001181162252 1049448292 /nfs/dbraw/zinc/44/82/92/1049448292.db2.gz FTDCEWBSFSMRFX-CYBMUJFWSA-N 0 3 309.251 4.211 20 30 DIEDHN CCCC[N@H+](Cc1csc(C#N)c1)Cc1ccccc1[O-] ZINC001181183904 1049449373 /nfs/dbraw/zinc/44/93/73/1049449373.db2.gz ANJREIGSHLUNLO-UHFFFAOYSA-N 0 3 300.427 4.128 20 30 DIEDHN CCCC[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1[O-] ZINC001181183904 1049449381 /nfs/dbraw/zinc/44/93/81/1049449381.db2.gz ANJREIGSHLUNLO-UHFFFAOYSA-N 0 3 300.427 4.128 20 30 DIEDHN C=CCCCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000486812358 1049476836 /nfs/dbraw/zinc/47/68/36/1049476836.db2.gz PGALXOBXTVLNNX-UHFFFAOYSA-N 0 3 313.445 4.125 20 30 DIEDHN CCCCC[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000486803840 1049478154 /nfs/dbraw/zinc/47/81/54/1049478154.db2.gz XEKWWZSJQYAEAM-KRWDZBQOSA-N 0 3 324.428 4.153 20 30 DIEDHN Cc1c(F)nccc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000862224645 1049478429 /nfs/dbraw/zinc/47/84/29/1049478429.db2.gz UHGVOQCYFBWSND-UHFFFAOYSA-N 0 3 311.404 4.059 20 30 DIEDHN N#Cc1cc(CN(Cc2ccccn2)C2CCCCC2)ccc1F ZINC001205493839 1049486012 /nfs/dbraw/zinc/48/60/12/1049486012.db2.gz VHMKUPZWUDAKDT-UHFFFAOYSA-N 0 3 323.415 4.427 20 30 DIEDHN C#C[C@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(C)C ZINC001181578292 1049492113 /nfs/dbraw/zinc/49/21/13/1049492113.db2.gz ZETMORNXMPHGEX-HNNXBMFYSA-N 0 3 304.846 4.211 20 30 DIEDHN Cc1ccc(F)c(CN2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001205647236 1049521017 /nfs/dbraw/zinc/52/10/17/1049521017.db2.gz HYSQNNKIKFDTIH-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C#CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000775655996 1049527421 /nfs/dbraw/zinc/52/74/21/1049527421.db2.gz YPDXOEQJYRSQBL-HXUWFJFHSA-N 0 3 302.421 4.342 20 30 DIEDHN C=CCCn1cc(CN(CCCC)[C@H]2CCC[C@@H](C)C2)nn1 ZINC001182072523 1049570887 /nfs/dbraw/zinc/57/08/87/1049570887.db2.gz PYXHIDKDIVHFBE-AEFFLSMTSA-N 0 3 304.482 4.035 20 30 DIEDHN C=CC1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000487915309 1049583149 /nfs/dbraw/zinc/58/31/49/1049583149.db2.gz RESITOWPXTXVNF-UHFFFAOYSA-N 0 3 308.425 4.059 20 30 DIEDHN C#C[C@H](N[C@@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974822 1049616491 /nfs/dbraw/zinc/61/64/91/1049616491.db2.gz SZPAFZJFGHWKAL-LIRRHRJNSA-N 0 3 307.368 4.467 20 30 DIEDHN C#C[C@H](N[C@@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987943 1049618605 /nfs/dbraw/zinc/61/86/05/1049618605.db2.gz BCFRIBYTCZLDRH-LSDHHAIUSA-N 0 3 304.231 4.046 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1cccc(OCC)c1O ZINC000119935432 1049646022 /nfs/dbraw/zinc/64/60/22/1049646022.db2.gz KZTZLQWHRMKZGO-UHFFFAOYSA-N 0 3 303.427 4.041 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001206094838 1049652189 /nfs/dbraw/zinc/65/21/89/1049652189.db2.gz XIYCCYTYIRRTIR-UHFFFAOYSA-N 0 3 324.211 4.152 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774390838 1049656601 /nfs/dbraw/zinc/65/66/01/1049656601.db2.gz ILURAGKLGMVUQX-SNVBAGLBSA-N 0 3 320.223 4.298 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cc1OC ZINC001182452915 1049658613 /nfs/dbraw/zinc/65/86/13/1049658613.db2.gz QEHRENYFMOQVHZ-MJBXVCDLSA-N 0 3 323.864 4.390 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000774451292 1049665960 /nfs/dbraw/zinc/66/59/60/1049665960.db2.gz XMSNEVBHPVBQNM-OAQYLSRUSA-N 0 3 305.421 4.248 20 30 DIEDHN N#CCc1cccc2c1CCN(CCSCc1ccccc1)C2 ZINC001196622678 1049677539 /nfs/dbraw/zinc/67/75/39/1049677539.db2.gz JXDVSCPDBFZVLM-UHFFFAOYSA-N 0 3 322.477 4.044 20 30 DIEDHN CCSc1ccccc1C[C@H](C)NCC1(C#N)CCCC1 ZINC001206516661 1049748157 /nfs/dbraw/zinc/74/81/57/1049748157.db2.gz BFKDSZINVNBOID-HNNXBMFYSA-N 0 3 302.487 4.403 20 30 DIEDHN CCSc1ccccc1C[C@@H](C)NCC1(C#N)CCCC1 ZINC001206516662 1049748296 /nfs/dbraw/zinc/74/82/96/1049748296.db2.gz BFKDSZINVNBOID-OAHLLOKOSA-N 0 3 302.487 4.403 20 30 DIEDHN N#Cc1ccc(CNC/C=C\c2ccc(F)c(F)c2)cc1Cl ZINC000586779273 1049898667 /nfs/dbraw/zinc/89/86/67/1049898667.db2.gz UPPIUMVZDJTKKJ-UPHRSURJSA-N 0 3 318.754 4.293 20 30 DIEDHN CSc1ccc(CNCc2coc3ccccc23)cc1C#N ZINC001207548689 1049907374 /nfs/dbraw/zinc/90/73/74/1049907374.db2.gz KVGOXWBCDCBXLP-UHFFFAOYSA-N 0 3 308.406 4.316 20 30 DIEDHN N#Cc1ccc2c(c1)CN(CCCc1cccc(Cl)c1)CC2 ZINC001207583221 1049911587 /nfs/dbraw/zinc/91/15/87/1049911587.db2.gz BPMYGGTXQUYDCL-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC001207894190 1049950750 /nfs/dbraw/zinc/95/07/50/1049950750.db2.gz CWAUSCBRSHVIGE-DYESRHJHSA-N 0 3 320.436 4.300 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC001207894763 1049951016 /nfs/dbraw/zinc/95/10/16/1049951016.db2.gz WKMPWVSYMXFFTM-UWJYYQICSA-N 0 3 320.436 4.300 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(NC(=O)C(C)C)CC1 ZINC001208118327 1049975099 /nfs/dbraw/zinc/97/50/99/1049975099.db2.gz FZIPFPLGCNGMGN-ZHACJKMWSA-N 0 3 308.510 4.140 20 30 DIEDHN CCCCCCC/C=C/CN1CCC2(CCCC(=O)N2)CC1 ZINC001208118409 1049975263 /nfs/dbraw/zinc/97/52/63/1049975263.db2.gz GMRZCKCBFBAWPI-CMDGGOBGSA-N 0 3 306.494 4.038 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001208170088 1049981029 /nfs/dbraw/zinc/98/10/29/1049981029.db2.gz CEPAOZIHGRTLLR-UXPWSPDFSA-N 0 3 307.437 4.201 20 30 DIEDHN N#Cc1ccc(CCCN2CCc3cccc(Cl)c3C2)cc1 ZINC001208863763 1050018384 /nfs/dbraw/zinc/01/83/84/1050018384.db2.gz DPEJLJXCRJIAPZ-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001208928307 1050022931 /nfs/dbraw/zinc/02/29/31/1050022931.db2.gz ASPMNCXAHQZVJX-LJQANCHMSA-N 0 3 312.363 4.216 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000589300393 1050026267 /nfs/dbraw/zinc/02/62/67/1050026267.db2.gz SAUXNLVYVAMDSN-RTBURBONSA-N 0 3 324.468 4.021 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CSCc3ccccc31)CC2 ZINC000589336754 1050027871 /nfs/dbraw/zinc/02/78/71/1050027871.db2.gz HUETYQNAMJJSOJ-RTBURBONSA-N 0 3 306.434 4.123 20 30 DIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343253 1050028120 /nfs/dbraw/zinc/02/81/20/1050028120.db2.gz CSXOPJUYBJVKTD-VBKZILBWSA-N 0 3 313.404 4.445 20 30 DIEDHN C=C(CNCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000589310576 1050028287 /nfs/dbraw/zinc/02/82/87/1050028287.db2.gz MVRMRQVXPZFBFM-UHFFFAOYSA-N 0 3 316.326 4.380 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1nc2ccccc2[nH]1 ZINC000165269635 1050028387 /nfs/dbraw/zinc/02/83/87/1050028387.db2.gz LDFYMXSIOSWAQQ-ZJIFWQFVSA-N 0 3 321.424 4.346 20 30 DIEDHN C=CCCCCN1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001209202686 1050043687 /nfs/dbraw/zinc/04/36/87/1050043687.db2.gz NEQSMNNKTVGDPA-UHFFFAOYSA-N 0 3 321.424 4.350 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCCC(F)(F)F)cc1 ZINC000165497623 1050055291 /nfs/dbraw/zinc/05/52/91/1050055291.db2.gz CLBJIVDKRQWBMP-LLVKDONJSA-N 0 3 307.743 4.421 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCCC(F)(F)F)cc1 ZINC000165497517 1050055314 /nfs/dbraw/zinc/05/53/14/1050055314.db2.gz CLBJIVDKRQWBMP-NSHDSACASA-N 0 3 307.743 4.421 20 30 DIEDHN C=CCCCCCCN(C)Cc1cncc(Br)c1 ZINC001209436059 1050059350 /nfs/dbraw/zinc/05/93/50/1050059350.db2.gz PTVLRGMSUHBZCM-UHFFFAOYSA-N 0 3 311.267 4.412 20 30 DIEDHN Cc1ccc(C)n1-c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC001209517248 1050066141 /nfs/dbraw/zinc/06/61/41/1050066141.db2.gz AUGOZNNIXYKDRG-UHFFFAOYSA-N 0 3 307.441 4.220 20 30 DIEDHN COCc1ccccc1/C=C(/C)CNCc1ccc(C#N)cc1F ZINC000590067208 1050076779 /nfs/dbraw/zinc/07/67/79/1050076779.db2.gz CSQYWHBGFZZBQE-DHDCSXOGSA-N 0 3 324.399 4.037 20 30 DIEDHN C=C(C)CN(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000591082875 1050122385 /nfs/dbraw/zinc/12/23/85/1050122385.db2.gz ZOABAKPVMHWMBI-CYBMUJFWSA-N 0 3 312.276 4.494 20 30 DIEDHN CCc1oc2ccccc2c1CNCc1cccc(OCC#N)c1 ZINC000113347400 1050153382 /nfs/dbraw/zinc/15/33/82/1050153382.db2.gz AGDZADWABDXRHJ-UHFFFAOYSA-N 0 3 320.392 4.187 20 30 DIEDHN FC(F)(F)c1ccccc1[C@H]1CCCCCC1=Nn1cnnc1 ZINC000770591563 1050175293 /nfs/dbraw/zinc/17/52/93/1050175293.db2.gz YAJJRQIQNIVPGX-CYBMUJFWSA-N 0 3 322.334 4.249 20 30 DIEDHN N#CCCN(C1CCCC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045115 1050182506 /nfs/dbraw/zinc/18/25/06/1050182506.db2.gz RBEGUAHPKKDWCB-INIZCTEOSA-N 0 3 302.849 4.356 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000824469074 1050218786 /nfs/dbraw/zinc/21/87/86/1050218786.db2.gz WBZIPBIDOUBKLU-VLIAUNLRSA-N 0 3 324.399 4.284 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1sccc1C1CC1 ZINC000591861969 1050235182 /nfs/dbraw/zinc/23/51/82/1050235182.db2.gz GBLDGUYIXFJXHY-CYBMUJFWSA-N 0 3 321.405 4.002 20 30 DIEDHN N#Cc1coc(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001171073128 1050268069 /nfs/dbraw/zinc/26/80/69/1050268069.db2.gz ARVPKMVXLZEPDP-CYBMUJFWSA-N 0 3 321.207 4.105 20 30 DIEDHN C=CC[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccncc1 ZINC000734509651 1050279827 /nfs/dbraw/zinc/27/98/27/1050279827.db2.gz NPONZFYGZWZUSF-GOSISDBHSA-N 0 3 308.425 4.202 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NC1(c3cccc(F)c3)CCC1)CC2 ZINC000592395266 1050295077 /nfs/dbraw/zinc/29/50/77/1050295077.db2.gz VJIRAEMHJUPDJL-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084455 1050297565 /nfs/dbraw/zinc/29/75/65/1050297565.db2.gz ZAEMRAKLDLGZQD-SWLSCSKDSA-N 0 3 323.267 4.476 20 30 DIEDHN CSC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000574089447 1050371528 /nfs/dbraw/zinc/37/15/28/1050371528.db2.gz GCJJZZVPYHZSJE-SJORKVTESA-N 0 3 300.471 4.044 20 30 DIEDHN CC[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735311676 1050374250 /nfs/dbraw/zinc/37/42/50/1050374250.db2.gz UCPCDXOFEXNMMD-AWEZNQCLSA-N 0 3 306.837 4.254 20 30 DIEDHN N#CC(C(=O)CCSc1ccc(Cl)cc1)c1ccccn1 ZINC000046439370 1050453553 /nfs/dbraw/zinc/45/35/53/1050453553.db2.gz LVSIYNFBBKBEGE-CQSZACIVSA-N 0 3 316.813 4.094 20 30 DIEDHN CC(C)(C#N)CCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594039471 1050470943 /nfs/dbraw/zinc/47/09/43/1050470943.db2.gz ZHOAOFWDSUUBEB-UHFFFAOYSA-N 0 3 312.335 4.104 20 30 DIEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497593 1050518417 /nfs/dbraw/zinc/51/84/17/1050518417.db2.gz IFMGJXOTWCATNF-LJQANCHMSA-N 0 3 320.436 4.273 20 30 DIEDHN COc1c(C)cccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000594509714 1050524847 /nfs/dbraw/zinc/52/48/47/1050524847.db2.gz LGDOTLPCMZUSCT-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN COc1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594514660 1050524987 /nfs/dbraw/zinc/52/49/87/1050524987.db2.gz KUAQZWVUEODPHH-AWEZNQCLSA-N 0 3 324.399 4.436 20 30 DIEDHN COc1cccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594512218 1050525528 /nfs/dbraw/zinc/52/55/28/1050525528.db2.gz CEZDNLBPDZNRKP-OAHLLOKOSA-N 0 3 306.409 4.297 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594516739 1050526024 /nfs/dbraw/zinc/52/60/24/1050526024.db2.gz DHDWXBKBENEBJR-FQEVSTJZSA-N 0 3 315.420 4.137 20 30 DIEDHN C[C@@H]1c2ccc(F)cc2CCN1CCCOc1ccc(C#N)cc1 ZINC000738343149 1050530714 /nfs/dbraw/zinc/53/07/14/1050530714.db2.gz ZGIWNGOALVYYRF-OAHLLOKOSA-N 0 3 324.399 4.086 20 30 DIEDHN C=C(Cc1ccccc1)C(=O)NCCP(C(C)C)C(C)C ZINC001144399584 1050558400 /nfs/dbraw/zinc/55/84/00/1050558400.db2.gz ZSHNDZTUIZUBMD-UHFFFAOYSA-N 0 3 305.402 4.200 20 30 DIEDHN N#CC(C(=O)CC/C=C\c1ccccc1)c1nc2ccccc2[nH]1 ZINC000739141786 1050561314 /nfs/dbraw/zinc/56/13/14/1050561314.db2.gz CIXMNMKQSXOXTQ-AGHZKPIHSA-N 0 3 315.376 4.233 20 30 DIEDHN N#CC1(c2ccc(CNCc3ccc(Cl)s3)cc2)CC1 ZINC000594914937 1050561433 /nfs/dbraw/zinc/56/14/33/1050561433.db2.gz NDDRMZQAJNMSOT-UHFFFAOYSA-N 0 3 302.830 4.246 20 30 DIEDHN N#CC1(c2ccc(CNC3(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000594919009 1050563144 /nfs/dbraw/zinc/56/31/44/1050563144.db2.gz FWBYHWVJQXBOII-UHFFFAOYSA-N 0 3 306.384 4.160 20 30 DIEDHN N#CC1(c2ccc(CN[C@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000594925247 1050566365 /nfs/dbraw/zinc/56/63/65/1050566365.db2.gz RBOUGVUBNQEHEY-IBGZPJMESA-N 0 3 306.384 4.158 20 30 DIEDHN Cc1ccc(F)c(CN[C@@H](C)Cc2cccc(C#N)c2)c1Cl ZINC001171178926 1050573684 /nfs/dbraw/zinc/57/36/84/1050573684.db2.gz LZAFZKVZWDVVKP-ZDUSSCGKSA-N 0 3 316.807 4.380 20 30 DIEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594934182 1050575073 /nfs/dbraw/zinc/57/50/73/1050575073.db2.gz FHSSQGUNOZNEIR-OAHLLOKOSA-N 0 3 305.425 4.050 20 30 DIEDHN Cc1cccc2[nH]c(CN[C@H]3CCc4cc(C#N)ccc43)cc21 ZINC000594935617 1050576444 /nfs/dbraw/zinc/57/64/44/1050576444.db2.gz BMHYWSIUIQFBDR-IBGZPJMESA-N 0 3 301.393 4.125 20 30 DIEDHN N#CC(C(=O)CCCc1ccc2c(c1)CCCC2)c1ccccn1 ZINC000845441773 1050579702 /nfs/dbraw/zinc/57/97/02/1050579702.db2.gz UBOXZWYQUKZRFH-IBGZPJMESA-N 0 3 318.420 4.160 20 30 DIEDHN CC(C)(NCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000594966593 1050584285 /nfs/dbraw/zinc/58/42/85/1050584285.db2.gz NGGGPJZKEXPWGH-UHFFFAOYSA-N 0 3 316.351 4.185 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ccc(C#N)cc1 ZINC000595008059 1050593099 /nfs/dbraw/zinc/59/30/99/1050593099.db2.gz PBHWPPOHYJKKRT-RYUDHWBXSA-N 0 3 301.340 4.303 20 30 DIEDHN C[C@@H](NCCCC#N)c1ccc(Br)c(Cl)c1 ZINC000595031458 1050597809 /nfs/dbraw/zinc/59/78/09/1050597809.db2.gz HEJWZYATVHUHAD-SECBINFHSA-N 0 3 301.615 4.057 20 30 DIEDHN COc1cc(C#N)c(Nc2ccnc(C(C)(C)C)c2)cc1OC ZINC001213166423 1050605508 /nfs/dbraw/zinc/60/55/08/1050605508.db2.gz AWGWQFNWLFMPDQ-UHFFFAOYSA-N 0 3 311.385 4.012 20 30 DIEDHN N#Cc1ccc(CCN2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000595677173 1050660164 /nfs/dbraw/zinc/66/01/64/1050660164.db2.gz SUSVWCISIVRNRM-IBGZPJMESA-N 0 3 306.409 4.311 20 30 DIEDHN C#CCN(Cc1cccc2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001144717427 1050668539 /nfs/dbraw/zinc/66/85/39/1050668539.db2.gz QTJZUSYTYRAIBJ-HXUWFJFHSA-N 0 3 300.405 4.291 20 30 DIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)cc1F ZINC000595750383 1050668894 /nfs/dbraw/zinc/66/88/94/1050668894.db2.gz BCJQMOHGEODEGM-IBGZPJMESA-N 0 3 324.399 4.237 20 30 DIEDHN CCN(CC)c1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000741677124 1050728002 /nfs/dbraw/zinc/72/80/02/1050728002.db2.gz SYPCSNNWWTWPHQ-UHFFFAOYSA-N 0 3 307.441 4.036 20 30 DIEDHN C=CCCC[C@@H](C)N[C@H](C)c1nc(Br)ccc1F ZINC000788694008 1050727971 /nfs/dbraw/zinc/72/79/71/1050727971.db2.gz TWTJQTPJQBZYLT-GHMZBOCLSA-N 0 3 315.230 4.379 20 30 DIEDHN C[C@@H]1CCCCN1c1cccc(NCc2ccc(C#N)c(F)c2)n1 ZINC001170091149 1050761900 /nfs/dbraw/zinc/76/19/00/1050761900.db2.gz XOYSUXRLKWHBRG-CQSZACIVSA-N 0 3 324.403 4.083 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000788973522 1050767879 /nfs/dbraw/zinc/76/78/79/1050767879.db2.gz TXWGSDPOZRMKQF-ZDUSSCGKSA-N 0 3 302.805 4.151 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(C#N)cc1 ZINC000788978057 1050778623 /nfs/dbraw/zinc/77/86/23/1050778623.db2.gz NURKVNMGMCVLKX-LJQANCHMSA-N 0 3 306.409 4.079 20 30 DIEDHN N#Cc1ccc(CN(Cc2cc3ccncc3s2)C2CC2)cc1 ZINC000596980261 1050791190 /nfs/dbraw/zinc/79/11/90/1050791190.db2.gz YGNPVRGNVYAUJS-UHFFFAOYSA-N 0 3 319.433 4.333 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000772960266 1050807920 /nfs/dbraw/zinc/80/79/20/1050807920.db2.gz OUBIRWHTKKGTAN-XOBRGWDASA-N 0 3 309.384 4.176 20 30 DIEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116966 1050808597 /nfs/dbraw/zinc/80/85/97/1050808597.db2.gz STIOZBLODIYRAN-WFASDCNBSA-N 0 3 308.347 4.014 20 30 DIEDHN N#CC1(c2ccc(CN3CCC[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597152954 1050813649 /nfs/dbraw/zinc/81/36/49/1050813649.db2.gz FBPUYUDAGVVCGC-HNNXBMFYSA-N 0 3 322.374 4.406 20 30 DIEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450239 1050834266 /nfs/dbraw/zinc/83/42/66/1050834266.db2.gz LCAWYMNWFUHTCF-RDBSUJKOSA-N 0 3 306.837 4.109 20 30 DIEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743257950 1051001751 /nfs/dbraw/zinc/00/17/51/1051001751.db2.gz JTAHBFGFTZMHKF-GOSISDBHSA-N 0 3 301.455 4.087 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000743501067 1051036315 /nfs/dbraw/zinc/03/63/15/1051036315.db2.gz CACIKFNOFKPDBH-WXUSHSQQSA-N 0 3 321.424 4.290 20 30 DIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000744016097 1051095232 /nfs/dbraw/zinc/09/52/32/1051095232.db2.gz JHHYEUPVLAQWCW-RYUDHWBXSA-N 0 3 310.378 4.178 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000744037397 1051101284 /nfs/dbraw/zinc/10/12/84/1051101284.db2.gz VEVXUSAEULUPIC-JSGCOSHPSA-N 0 3 322.389 4.383 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000744041250 1051101938 /nfs/dbraw/zinc/10/19/38/1051101938.db2.gz VJBNBQMNLXAYRN-FZMZJTMJSA-N 0 3 324.767 4.461 20 30 DIEDHN N#CC(C(=O)CCCc1cccs1)c1nccc2ccccc21 ZINC000792093479 1051118431 /nfs/dbraw/zinc/11/84/31/1051118431.db2.gz JKYVLUBSEPVKDH-QGZVFWFLSA-N 0 3 320.417 4.495 20 30 DIEDHN C(#Cc1ccccc1)CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000792210483 1051128206 /nfs/dbraw/zinc/12/82/06/1051128206.db2.gz LNCOEDGTAREFPH-UHFFFAOYSA-N 0 3 314.432 4.399 20 30 DIEDHN C#CCN(Cc1cc(-c2ccc(OC)cc2)no1)C1CCCCC1 ZINC000744213844 1051132012 /nfs/dbraw/zinc/13/20/12/1051132012.db2.gz NLYQHBIQLNLNCA-UHFFFAOYSA-N 0 3 324.424 4.118 20 30 DIEDHN COc1c(C)cc([C@@H](C)NCc2ccc(C#N)cc2)cc1Cl ZINC000796695843 1051134090 /nfs/dbraw/zinc/13/40/90/1051134090.db2.gz PQPDOVSZRBYHNK-CYBMUJFWSA-N 0 3 314.816 4.380 20 30 DIEDHN C[C@@H](CC#N)NC1CCC(c2ccc(Br)cc2)CC1 ZINC001171648712 1051181844 /nfs/dbraw/zinc/18/18/44/1051181844.db2.gz XWNXUKANHZXLTO-YGONEPDPSA-N 0 3 321.262 4.367 20 30 DIEDHN Cc1cnc(C#N)c(Nc2cccc(CN3CCCCC3)c2F)c1 ZINC001215675975 1051293243 /nfs/dbraw/zinc/29/32/43/1051293243.db2.gz YVHRCAWGSQZGTC-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN N#Cc1cc(Nc2cccc(CN3CCCCC3)c2F)cs1 ZINC001215676936 1051295333 /nfs/dbraw/zinc/29/53/33/1051295333.db2.gz JIBJFONNQKCPRW-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN Cc1ccnc(C#N)c1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711285 1051319474 /nfs/dbraw/zinc/31/94/74/1051319474.db2.gz LBHBEUQQFVGRSY-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2cccc(Cl)c2C1 ZINC001172309802 1051335854 /nfs/dbraw/zinc/33/58/54/1051335854.db2.gz CAGUTABPSOOVCW-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN CCCCCCC[C@@H](CC)N[C@@H](CC(=O)OC)c1ccccn1 ZINC001172351783 1051368964 /nfs/dbraw/zinc/36/89/64/1051368964.db2.gz VIPAELPREHJIBS-AEFFLSMTSA-N 0 3 320.477 4.415 20 30 DIEDHN C[C@H](CCCC#N)NCc1csc(-c2ccc(F)cc2)n1 ZINC001172491644 1051417825 /nfs/dbraw/zinc/41/78/25/1051417825.db2.gz HWPVAMKXOKEJGF-GFCCVEGCSA-N 0 3 303.406 4.121 20 30 DIEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001172497322 1051417959 /nfs/dbraw/zinc/41/79/59/1051417959.db2.gz ATEHXUMBWHAAAY-SFHVURJKSA-N 0 3 321.468 4.040 20 30 DIEDHN CCCCCCCC[C@@H](CC)NCc1cc2n(n1)CCCO2 ZINC001172504866 1051422916 /nfs/dbraw/zinc/42/29/16/1051422916.db2.gz HWMBIGJOKWGDEV-MRXNPFEDSA-N 0 3 307.482 4.284 20 30 DIEDHN CCCCCCC[C@@H](CCC)N1CCC(S(C)(=O)=O)CC1 ZINC001172511101 1051428347 /nfs/dbraw/zinc/42/83/47/1051428347.db2.gz MXFGXEHXRCBUEG-MRXNPFEDSA-N 0 3 317.539 4.025 20 30 DIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc(C(C)C)cs2)o1 ZINC000747193346 1051437137 /nfs/dbraw/zinc/43/71/37/1051437137.db2.gz ILINANMUPSOBSL-NWDGAFQWSA-N 0 3 302.399 4.148 20 30 DIEDHN CCCCCCCCC[C@H](CCC)n1cc(CN)cnc1=N ZINC001173284900 1051687996 /nfs/dbraw/zinc/68/79/96/1051687996.db2.gz KQOZQOMHLIMZCA-KRWDZBQOSA-N 0 3 306.498 4.303 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCC(C)(C)C)c1 ZINC000805854014 1051693413 /nfs/dbraw/zinc/69/34/13/1051693413.db2.gz ORSJGDLTOXOOMS-INIZCTEOSA-N 0 3 314.429 4.249 20 30 DIEDHN N#CCC1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001173329993 1051695360 /nfs/dbraw/zinc/69/53/60/1051695360.db2.gz QZNYMKYYRDYTBF-NLPFYKDJSA-N 0 3 305.425 4.233 20 30 DIEDHN C=CCOC1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC001173315387 1051709857 /nfs/dbraw/zinc/70/98/57/1051709857.db2.gz MFMYKROVVUIZCB-GZNCHQMQSA-N 0 3 322.452 4.274 20 30 DIEDHN C=CC[C@@H]1N(C[C@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843665 1051710918 /nfs/dbraw/zinc/71/09/18/1051710918.db2.gz HFHUVXRNBIQWQG-HOTGVXAUSA-N 0 3 309.400 4.065 20 30 DIEDHN C=CCCCCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000806167761 1051769183 /nfs/dbraw/zinc/76/91/83/1051769183.db2.gz IUOJZFHZDMITIJ-LJQANCHMSA-N 0 3 315.436 4.375 20 30 DIEDHN C[C@@H](CC#N)N[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173701542 1051782590 /nfs/dbraw/zinc/78/25/90/1051782590.db2.gz AZKAOVGJAHMFRF-OXJNMPFZSA-N 0 3 320.436 4.015 20 30 DIEDHN CC(C)(C)N(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000768140322 1051890232 /nfs/dbraw/zinc/89/02/32/1051890232.db2.gz ZAGGCXYMPFSNDA-UHFFFAOYSA-N 0 3 318.424 4.007 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000768194834 1051899949 /nfs/dbraw/zinc/89/99/49/1051899949.db2.gz GDYQJESDNMDORH-HOTGVXAUSA-N 0 3 306.409 4.097 20 30 DIEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)Cc2ccccc21 ZINC000768197354 1051902635 /nfs/dbraw/zinc/90/26/35/1051902635.db2.gz VKLGBCXUYKEWIR-KRWDZBQOSA-N 0 3 320.436 4.488 20 30 DIEDHN C#CCCOc1ccc(CN(Cc2cccs2)C2CC2)cc1 ZINC000768252305 1051910243 /nfs/dbraw/zinc/91/02/43/1051910243.db2.gz JDKXTASFEIRNRV-UHFFFAOYSA-N 0 3 311.450 4.315 20 30 DIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000176532156 1051917237 /nfs/dbraw/zinc/91/72/37/1051917237.db2.gz WKTDILNVWBOBGT-QGZVFWFLSA-N 0 3 312.413 4.033 20 30 DIEDHN C=CCC[C@H](CC)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562952 1051976742 /nfs/dbraw/zinc/97/67/42/1051976742.db2.gz HPRXISNMFSBOSZ-HIFRSBDPSA-N 0 3 315.417 4.141 20 30 DIEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000192160459 1052001227 /nfs/dbraw/zinc/00/12/27/1052001227.db2.gz ZQULBFNFIKWGML-SFHVURJKSA-N 0 3 312.416 4.451 20 30 DIEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000192161021 1052001724 /nfs/dbraw/zinc/00/17/24/1052001724.db2.gz YZTHFUMGZMVNBA-SFHVURJKSA-N 0 3 312.416 4.451 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769878029 1052126604 /nfs/dbraw/zinc/12/66/04/1052126604.db2.gz ZFUNAAPOOCHLAA-FQEVSTJZSA-N 0 3 318.420 4.050 20 30 DIEDHN C[C@@H](Cc1cccc(F)c1)N1CCC(C#N)(c2ccccc2)CC1 ZINC001168474064 1052171987 /nfs/dbraw/zinc/17/19/87/1052171987.db2.gz KLDCDISGKHYOLB-KRWDZBQOSA-N 0 3 322.427 4.314 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C[C@@H](N)c2ccc(C#N)cc2)cc1 ZINC001218810369 1052256856 /nfs/dbraw/zinc/25/68/56/1052256856.db2.gz ZVQRTENHDNPUAN-IFXJQAMLSA-N 0 3 321.424 4.100 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193491813 1052399820 /nfs/dbraw/zinc/39/98/20/1052399820.db2.gz IMFRCAAYRPDYEK-LRDDRELGSA-N 0 3 324.380 4.063 20 30 DIEDHN C=C[C@@H](O[C@@H]1CCN([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311171 1052587166 /nfs/dbraw/zinc/58/71/66/1052587166.db2.gz XXNFRWAPZZSINR-ILZDJORESA-N 0 3 308.425 4.161 20 30 DIEDHN N#CC(C(=O)CCc1cccs1)c1ccc2ccccc2n1 ZINC000916849484 1052657270 /nfs/dbraw/zinc/65/72/70/1052657270.db2.gz WDORVHWZGOTCPD-HNNXBMFYSA-N 0 3 306.390 4.105 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(N(CC)CC)cc2)c1 ZINC000916837630 1052657996 /nfs/dbraw/zinc/65/79/96/1052657996.db2.gz RGGREHQQUSUEIK-UHFFFAOYSA-N 0 3 324.468 4.387 20 30 DIEDHN C=CCN(CCCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000916989047 1052677568 /nfs/dbraw/zinc/67/75/68/1052677568.db2.gz XGRXCUQLTOEBCF-UHFFFAOYSA-N 0 3 312.438 4.077 20 30 DIEDHN Cc1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000154244877 1052678443 /nfs/dbraw/zinc/67/84/43/1052678443.db2.gz NQYYSUJPAQBBNM-HUUCEWRRSA-N 0 3 312.388 4.276 20 30 DIEDHN C=CCCCCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224508536 1052703371 /nfs/dbraw/zinc/70/33/71/1052703371.db2.gz YWDQPVNJOWCXNE-KDURUIRLSA-N 0 3 309.494 4.173 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cccc(O)c2)cc1 ZINC000154461520 1052744372 /nfs/dbraw/zinc/74/43/72/1052744372.db2.gz MAHGBEKCZKIVCC-AWEZNQCLSA-N 0 3 317.816 4.374 20 30 DIEDHN C=CCc1cc(OCC)cc(CN2CC[C@@H]2c2ccccc2)c1O ZINC000919941358 1052905824 /nfs/dbraw/zinc/90/58/24/1052905824.db2.gz YDSWVZGLIFUVNP-HXUWFJFHSA-N 0 3 323.436 4.466 20 30 DIEDHN Cc1ccc(C#N)c(OC(C(=O)c2ccco2)c2ccco2)c1 ZINC001226754311 1052927816 /nfs/dbraw/zinc/92/78/16/1052927816.db2.gz OQTNFQIKBKELJA-GOSISDBHSA-N 0 3 307.305 4.056 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2cccs2)c([O-])c1 ZINC000920943984 1052956177 /nfs/dbraw/zinc/95/61/77/1052956177.db2.gz GHTZNXIEFVSPOH-HTMJNSLASA-N 0 3 302.443 4.480 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000237608568 1053015086 /nfs/dbraw/zinc/01/50/86/1053015086.db2.gz FPURTDWCXPVTIU-KDOFPFPSSA-N 0 3 324.449 4.304 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000237604926 1053015116 /nfs/dbraw/zinc/01/51/16/1053015116.db2.gz FPURTDWCXPVTIU-RDTXWAMCSA-N 0 3 324.449 4.304 20 30 DIEDHN C[C@@H](NCc1ccc(OCC2CC2)cc1)c1cccc(C#N)c1 ZINC000616475753 1053057053 /nfs/dbraw/zinc/05/70/53/1053057053.db2.gz UHTHUXWIYMGUGB-OAHLLOKOSA-N 0 3 306.409 4.198 20 30 DIEDHN C#C[C@@H](Oc1ccc2ccccc2c1CN(C)C)c1ccncc1 ZINC001228440479 1053104444 /nfs/dbraw/zinc/10/44/44/1053104444.db2.gz DMXCRAYLMXHPCG-HXUWFJFHSA-N 0 3 316.404 4.050 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000069160059 1053125306 /nfs/dbraw/zinc/12/53/06/1053125306.db2.gz DQXBPOKRYICXEM-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN C[C@@H](Cc1cccc(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000069285831 1053154221 /nfs/dbraw/zinc/15/42/21/1053154221.db2.gz ULRNSIOPLVHASK-WFASDCNBSA-N 0 3 322.339 4.022 20 30 DIEDHN C=CCc1ccccc1O[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001228847476 1053192639 /nfs/dbraw/zinc/19/26/39/1053192639.db2.gz UMIZVBXIXBDGHU-MJGOQNOKSA-N 0 3 322.452 4.415 20 30 DIEDHN C=C(C)c1ccc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)cc1 ZINC001229077911 1053240676 /nfs/dbraw/zinc/24/06/76/1053240676.db2.gz DIQXPITWPQWMRS-QFBILLFUSA-N 0 3 308.425 4.329 20 30 DIEDHN C=C(C)c1ccc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)cc1 ZINC001229077912 1053240868 /nfs/dbraw/zinc/24/08/68/1053240868.db2.gz DIQXPITWPQWMRS-VQIMIIECSA-N 0 3 308.425 4.329 20 30 DIEDHN C=C[C@@H](Oc1ccc(C(=O)CCN(C)C)cc1)c1ccccc1 ZINC001229302320 1053295184 /nfs/dbraw/zinc/29/51/84/1053295184.db2.gz GSPJTBOIPDJSGS-HXUWFJFHSA-N 0 3 309.409 4.127 20 30 DIEDHN C=CCc1ccc(O)c(O[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001229338334 1053301546 /nfs/dbraw/zinc/30/15/46/1053301546.db2.gz DZVVDLWUWSRPSG-LJQANCHMSA-N 0 3 323.436 4.164 20 30 DIEDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(C#N)cc1F ZINC001320126283 1053308899 /nfs/dbraw/zinc/30/88/99/1053308899.db2.gz XWCQUXGBFRPRIE-WBMJQRKESA-N 0 3 310.372 4.050 20 30 DIEDHN CCN(CCC(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182076494 1053340429 /nfs/dbraw/zinc/34/04/29/1053340429.db2.gz UCEWOHHGONOZBS-INIZCTEOSA-N 0 3 306.409 4.214 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591273 1053348585 /nfs/dbraw/zinc/34/85/85/1053348585.db2.gz DDNIRXVSFVJWNQ-QFBILLFUSA-N 0 3 311.425 4.117 20 30 DIEDHN CC(C)Oc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742690 1053358443 /nfs/dbraw/zinc/35/84/43/1053358443.db2.gz PEIGPCLSPMBMHQ-FQEVSTJZSA-N 0 3 306.409 4.123 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001545710325 1053361072 /nfs/dbraw/zinc/36/10/72/1053361072.db2.gz XSBDZTUHXWLWDM-YESZJQIVSA-N 0 3 308.510 4.115 20 30 DIEDHN CCc1nc2c(s1)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801463 1053365905 /nfs/dbraw/zinc/36/59/05/1053365905.db2.gz AZQCBSPJWXUPMP-HZPDHXFCSA-N 0 3 323.465 4.232 20 30 DIEDHN CC1(C)Cc2occc2[C@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801852 1053368172 /nfs/dbraw/zinc/36/81/72/1053368172.db2.gz BKHYLBAHLFGIFM-QZTJIDSGSA-N 0 3 306.409 4.442 20 30 DIEDHN Cc1nc2c(s1)[C@H](NC1CC(C#N)(c3ccccc3)C1)CCC2 ZINC001320869876 1053369689 /nfs/dbraw/zinc/36/96/89/1053369689.db2.gz BCMYUDIVPLTRIQ-URSIVYNOSA-N 0 3 323.465 4.043 20 30 DIEDHN COc1cc(C)ccc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618804753 1053370525 /nfs/dbraw/zinc/37/05/25/1053370525.db2.gz LTVRXZHLOIPYSU-AUUYWEPGSA-N 0 3 306.409 4.213 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808071 1053372453 /nfs/dbraw/zinc/37/24/53/1053372453.db2.gz YVNZYVJWVLEXFE-BFUOFWGJSA-N 0 3 323.415 4.101 20 30 DIEDHN Cc1c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807485 1053372756 /nfs/dbraw/zinc/37/27/56/1053372756.db2.gz ZXABXHVYMFKGSM-YJYMSZOUSA-N 0 3 322.456 4.156 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618805979 1053373495 /nfs/dbraw/zinc/37/34/95/1053373495.db2.gz LNESQDKWDDVCKA-ORAYPTAESA-N 0 3 321.380 4.113 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NC2(c3cccc(F)c3)CC2)cc1 ZINC000182220140 1053379213 /nfs/dbraw/zinc/37/92/13/1053379213.db2.gz YQNXCEVNNPUEOH-OAHLLOKOSA-N 0 3 309.384 4.178 20 30 DIEDHN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccccc2CN(C)C)O1 ZINC001229700267 1053388068 /nfs/dbraw/zinc/38/80/68/1053388068.db2.gz WXNBTCMWNJHCGZ-IEBWSBKVSA-N 0 3 303.446 4.029 20 30 DIEDHN Cc1ccc(F)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182515754 1053464177 /nfs/dbraw/zinc/46/41/77/1053464177.db2.gz IPBSPEMVVUIKHN-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN COc1cc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)ccc1C#N ZINC000619654378 1053525151 /nfs/dbraw/zinc/52/51/51/1053525151.db2.gz FKYOPBNEKDLZQY-RBZFPXEDSA-N 0 3 324.399 4.119 20 30 DIEDHN CC1(C)CCc2ccccc2[C@@H](NCc2ccnc(C#N)c2)C1 ZINC000619654608 1053526131 /nfs/dbraw/zinc/52/61/31/1053526131.db2.gz ZXCQIIKIXWRNGH-IBGZPJMESA-N 0 3 305.425 4.147 20 30 DIEDHN COc1cccc2c1CCC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000619672844 1053528082 /nfs/dbraw/zinc/52/80/82/1053528082.db2.gz NQERSZAVGJBMMJ-AUUYWEPGSA-N 0 3 306.409 4.295 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC)cc1 ZINC000619755691 1053548276 /nfs/dbraw/zinc/54/82/76/1053548276.db2.gz PJPKUHDWCUBLRR-GOSISDBHSA-N 0 3 314.816 4.461 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1Cl ZINC000619755510 1053548506 /nfs/dbraw/zinc/54/85/06/1053548506.db2.gz ZGRQZVDNKNPGOG-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1N(C)C ZINC000619755072 1053548791 /nfs/dbraw/zinc/54/87/91/1053548791.db2.gz SEHTXIBPIIPPKS-ZDUSSCGKSA-N 0 3 313.832 4.128 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619755867 1053550628 /nfs/dbraw/zinc/55/06/28/1053550628.db2.gz WSXYSDLYRGSWGD-IBGZPJMESA-N 0 3 321.811 4.251 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021811 1053617059 /nfs/dbraw/zinc/61/70/59/1053617059.db2.gz MFSIRLIGLYCMIP-AAEUAGOBSA-N 0 3 319.392 4.193 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021204 1053617825 /nfs/dbraw/zinc/61/78/25/1053617825.db2.gz HEDJYHKYPBVTAC-CZUORRHYSA-N 0 3 316.470 4.279 20 30 DIEDHN N#CC1(c2ccccc2)CC(NC2(c3ccc(F)cc3)CC2)C1 ZINC001324336274 1053645712 /nfs/dbraw/zinc/64/57/12/1053645712.db2.gz RFALLQCNGUQZMA-UHFFFAOYSA-N 0 3 306.384 4.028 20 30 DIEDHN C=CCc1cccc(O[C@@H]2CCCN([C@H](C)c3ccccn3)C2)c1 ZINC001231010035 1053649272 /nfs/dbraw/zinc/64/92/72/1053649272.db2.gz NEGAFUOZMAWNCQ-YLJYHZDGSA-N 0 3 322.452 4.415 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620046 1053724481 /nfs/dbraw/zinc/72/44/81/1053724481.db2.gz OBWBPCVUCKVOPJ-WFASDCNBSA-N 0 3 305.418 4.406 20 30 DIEDHN CC(C)(C)c1cccc(OCCNCc2csc(C#N)c2)c1 ZINC001200581241 1053785738 /nfs/dbraw/zinc/78/57/38/1053785738.db2.gz RAYRHMVNKUQSNT-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)C(C)(C)C ZINC001231616693 1053802344 /nfs/dbraw/zinc/80/23/44/1053802344.db2.gz KQDPHLDXOITSHX-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC(Cc2ccccc2)CC1 ZINC001231616403 1053802711 /nfs/dbraw/zinc/80/27/11/1053802711.db2.gz BQAWRGNPYIUEPY-UHFFFAOYSA-N 0 3 320.436 4.022 20 30 DIEDHN C#Cc1cccc(CN2CC[C@@H](Sc3ccccc3OC)C2)c1 ZINC001231660316 1053825236 /nfs/dbraw/zinc/82/52/36/1053825236.db2.gz CIPMFBDKQDHHNI-GOSISDBHSA-N 0 3 323.461 4.043 20 30 DIEDHN C#Cc1cccc(CN2CCC(Oc3cccc(C)c3)CC2)c1 ZINC001231661977 1053827423 /nfs/dbraw/zinc/82/74/23/1053827423.db2.gz BJLFXSXDSMYYOE-UHFFFAOYSA-N 0 3 305.421 4.020 20 30 DIEDHN CN(Cc1ccc(OC(C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC001231808742 1053866125 /nfs/dbraw/zinc/86/61/25/1053866125.db2.gz ULLLGBXAKUXZEZ-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231979881 1053928809 /nfs/dbraw/zinc/92/88/09/1053928809.db2.gz XRMAWKREMVJGAC-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1cc2cnccc2o1 ZINC001329754753 1054006733 /nfs/dbraw/zinc/00/67/33/1054006733.db2.gz OJCFABIVGNKPCZ-JTOQLSFASA-N 0 3 317.392 4.102 20 30 DIEDHN N#CC1(c2ccc(CNCc3cccc(C(F)F)c3)cc2)CC1 ZINC001330299087 1054032536 /nfs/dbraw/zinc/03/25/36/1054032536.db2.gz OTSFDWHODBMACY-UHFFFAOYSA-N 0 3 312.363 4.469 20 30 DIEDHN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000848396665 1054067744 /nfs/dbraw/zinc/06/77/44/1054067744.db2.gz TWDGTPAZGULYDW-GOSISDBHSA-N 0 3 321.424 4.012 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000122863636 1054111510 /nfs/dbraw/zinc/11/15/10/1054111510.db2.gz OFYALSXCNXHZBK-CYBMUJFWSA-N 0 3 316.351 4.353 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](CCc3ccccc3)C2)s1 ZINC001232845299 1054130050 /nfs/dbraw/zinc/13/00/50/1054130050.db2.gz SWEUTQJEDHTVJC-KRWDZBQOSA-N 0 3 310.466 4.465 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000848535889 1054131064 /nfs/dbraw/zinc/13/10/64/1054131064.db2.gz HQTPZGPCGYMGKS-SFHVURJKSA-N 0 3 319.408 4.139 20 30 DIEDHN C[C@H](NCc1cc(Cl)cc(C#N)c1)c1ccc(N(C)C)cc1 ZINC001332896729 1054132190 /nfs/dbraw/zinc/13/21/90/1054132190.db2.gz BSWRWFGJMVQUJD-ZDUSSCGKSA-N 0 3 313.832 4.128 20 30 DIEDHN Cc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(C#N)c1 ZINC001232963119 1054159162 /nfs/dbraw/zinc/15/91/62/1054159162.db2.gz ANVFCNYFAWRAGM-UHFFFAOYSA-N 0 3 314.432 4.427 20 30 DIEDHN C=CCN(Cc1ccc(Cl)c(Br)n1)C(C)(C)C ZINC001233094955 1054186174 /nfs/dbraw/zinc/18/61/74/1054186174.db2.gz OOHWQJNRGSFCCN-UHFFFAOYSA-N 0 3 317.658 4.284 20 30 DIEDHN CC1(C#N)CCN(Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331168 1054233853 /nfs/dbraw/zinc/23/38/53/1054233853.db2.gz KKARZLRAGNWOTG-UHFFFAOYSA-N 0 3 304.437 4.403 20 30 DIEDHN C#CCN(Cc1cc2cccnc2s1)[C@@H]1CCc2ccccc21 ZINC001233348903 1054241125 /nfs/dbraw/zinc/24/11/25/1054241125.db2.gz VJWHWQBPYVDNRZ-LJQANCHMSA-N 0 3 318.445 4.419 20 30 DIEDHN C=CCc1ccc(O[C@H]2CCCN([C@@H](C)c3ccccn3)C2)cc1 ZINC001233597426 1054305917 /nfs/dbraw/zinc/30/59/17/1054305917.db2.gz MAKHZJBWYVYWCC-PXNSSMCTSA-N 0 3 322.452 4.415 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)CC(C)(C)C ZINC001341723437 1054406520 /nfs/dbraw/zinc/40/65/20/1054406520.db2.gz GRAKEDWKPUFEQS-ZDUSSCGKSA-N 0 3 311.429 4.212 20 30 DIEDHN CCCCCCCC[C@@H](N)C(=O)Nc1c(C)noc1C(C)C ZINC001341764990 1054408601 /nfs/dbraw/zinc/40/86/01/1054408601.db2.gz KPSUZSXGNUXENU-CQSZACIVSA-N 0 3 309.454 4.123 20 30 DIEDHN CC1(C)C2CCC1(C(=O)C(C#N)c1nc3ccccc3o1)CC2 ZINC001342926429 1054433993 /nfs/dbraw/zinc/43/39/93/1054433993.db2.gz ZDDGOONMQZDCJF-FWHMADFJSA-N 0 3 308.381 4.220 20 30 DIEDHN N#CC(C(=O)C[C@@H]1CCCC1(F)F)c1ccc2ccccc2n1 ZINC001343289758 1054441445 /nfs/dbraw/zinc/44/14/45/1054441445.db2.gz VAGFXNGCWSEBMG-UONOGXRCSA-N 0 3 314.335 4.237 20 30 DIEDHN N#CC(C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccc2ccccc2n1 ZINC001343405467 1054445528 /nfs/dbraw/zinc/44/55/28/1054445528.db2.gz RIWJMNHPVAUYDT-YYIAUSFCSA-N 0 3 304.393 4.237 20 30 DIEDHN N#CC(C(=O)C[C@H]1C=CCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369720 1054466676 /nfs/dbraw/zinc/46/66/76/1054466676.db2.gz YLGHEPDQGRHQOZ-RYUDHWBXSA-N 0 3 313.788 4.139 20 30 DIEDHN CC1(C)CCCC[C@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345621273 1054505199 /nfs/dbraw/zinc/50/51/99/1054505199.db2.gz GWMOSGGGMRRZHA-WCQYABFASA-N 0 3 306.356 4.143 20 30 DIEDHN CC(C)CC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001346764248 1054549576 /nfs/dbraw/zinc/54/95/76/1054549576.db2.gz NUGJZQSMPSBNQU-ZDUSSCGKSA-N 0 3 306.356 4.143 20 30 DIEDHN N#CC(C(=O)CCCc1ccc(Cl)cc1)c1cccc(F)n1 ZINC001347123780 1054556917 /nfs/dbraw/zinc/55/69/17/1054556917.db2.gz NIDZDCOPRMETQL-AWEZNQCLSA-N 0 3 316.763 4.073 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)cc(C)c2)c1 ZINC000073011819 1054612903 /nfs/dbraw/zinc/61/29/03/1054612903.db2.gz RKPQNHXZEROKDP-LJQANCHMSA-N 0 3 308.425 4.274 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996643 1054638539 /nfs/dbraw/zinc/63/85/39/1054638539.db2.gz LHKWIJZZAFWLST-OHFIKTQHSA-N 0 3 318.420 4.326 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996643 1054638547 /nfs/dbraw/zinc/63/85/47/1054638547.db2.gz LHKWIJZZAFWLST-OHFIKTQHSA-N 0 3 318.420 4.326 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001450808016 1054661115 /nfs/dbraw/zinc/66/11/15/1054661115.db2.gz XXULRAPCOVVECB-HKUYNNGSSA-N 0 3 316.489 4.126 20 30 DIEDHN C=CCC[C@@H](NCc1cnn(C)c1C(F)(F)F)c1ccccc1 ZINC000180050763 1054728558 /nfs/dbraw/zinc/72/85/58/1054728558.db2.gz GYOPNHMQDKJOKG-OAHLLOKOSA-N 0 3 323.362 4.236 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000180039862 1054728945 /nfs/dbraw/zinc/72/89/45/1054728945.db2.gz JZAXEAYGEWRIGD-QGZVFWFLSA-N 0 3 312.388 4.061 20 30 DIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccccc1CC#N ZINC001235522353 1054738417 /nfs/dbraw/zinc/73/84/17/1054738417.db2.gz DMAMKKXGOUMJDW-IBGZPJMESA-N 0 3 306.409 4.098 20 30 DIEDHN C=CCCC(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001453966113 1054752159 /nfs/dbraw/zinc/75/21/59/1054752159.db2.gz DDAJWSQIYKCEIV-UHFFFAOYSA-N 0 3 314.473 4.147 20 30 DIEDHN N#CCCN(Cc1cccc2c1CCN2)C1CCCCCCC1 ZINC001235664434 1054764225 /nfs/dbraw/zinc/76/42/25/1054764225.db2.gz SWXNEZZZIFHFLY-UHFFFAOYSA-N 0 3 311.473 4.483 20 30 DIEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235681774 1054775102 /nfs/dbraw/zinc/77/51/02/1054775102.db2.gz QFYRDBQUYAGHEN-UHFFFAOYSA-N 0 3 308.425 4.193 20 30 DIEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235681774 1054775119 /nfs/dbraw/zinc/77/51/19/1054775119.db2.gz QFYRDBQUYAGHEN-UHFFFAOYSA-N 0 3 308.425 4.193 20 30 DIEDHN Cc1nc2cc(CN(C)Cc3cccc(C#N)c3)ccc2s1 ZINC001235859074 1054825018 /nfs/dbraw/zinc/82/50/18/1054825018.db2.gz OVNWLUJOCXJKIG-UHFFFAOYSA-N 0 3 307.422 4.108 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032451 1054861346 /nfs/dbraw/zinc/86/13/46/1054861346.db2.gz MUXIAJZHPCNVTJ-IEBWSBKVSA-N 0 3 315.413 4.273 20 30 DIEDHN Cc1cc(C)c(C#N)c(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236002422 1054888701 /nfs/dbraw/zinc/88/87/01/1054888701.db2.gz JYTQYPUCOSONML-UHFFFAOYSA-N 0 3 323.415 4.362 20 30 DIEDHN Cc1ccc(C#N)c(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236003346 1054889162 /nfs/dbraw/zinc/88/91/62/1054889162.db2.gz ZCCZVYUOYNLPLT-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1ccnc(C#N)c1-c1cccc(CN2CCCCC2)c1F ZINC001236019905 1054900732 /nfs/dbraw/zinc/90/07/32/1054900732.db2.gz WKFSEOYRMRLJSY-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C[C@@H](NCCCSCC#N)c1cc(F)c(Cl)cc1Cl ZINC000181646987 1054926750 /nfs/dbraw/zinc/92/67/50/1054926750.db2.gz UCZDHFWRDAGASP-SECBINFHSA-N 0 3 321.248 4.430 20 30 DIEDHN Cc1ccnc(-c2ccc(CN3CCCCC3)c(F)c2)c1C#N ZINC001236232622 1055022427 /nfs/dbraw/zinc/02/24/27/1055022427.db2.gz JKNDGEGRMXSZFR-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cnc(-c2ccc(CN3CCCCC3)c(F)c2)c(C#N)c1 ZINC001236235111 1055024724 /nfs/dbraw/zinc/02/47/24/1055024724.db2.gz UPSRSYINRKOROQ-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)c(C#N)n1 ZINC001236249318 1055032888 /nfs/dbraw/zinc/03/28/88/1055032888.db2.gz SJJGZTDYEGDZDL-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN N#Cc1cc(C#N)cc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236249977 1055034188 /nfs/dbraw/zinc/03/41/88/1055034188.db2.gz FJHCWRHBFSYNGR-UHFFFAOYSA-N 0 3 319.383 4.222 20 30 DIEDHN N#Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)c(C#N)c1 ZINC001236251945 1055035191 /nfs/dbraw/zinc/03/51/91/1055035191.db2.gz UKROXSBGEUMDIX-UHFFFAOYSA-N 0 3 319.383 4.222 20 30 DIEDHN Cc1cnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(C#N)c1 ZINC001236470564 1055129028 /nfs/dbraw/zinc/12/90/28/1055129028.db2.gz ZSSGOHPHHDAQMA-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN Cc1cc(C#N)cnc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236469969 1055130072 /nfs/dbraw/zinc/13/00/72/1055130072.db2.gz PABWFTZTNQODMC-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2cc1[O-] ZINC001236838178 1055288787 /nfs/dbraw/zinc/28/87/87/1055288787.db2.gz WWPXQRIJPBIXTN-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2cc1[O-] ZINC001236838178 1055288798 /nfs/dbraw/zinc/28/87/98/1055288798.db2.gz WWPXQRIJPBIXTN-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN COc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1SC ZINC000765016656 1055315414 /nfs/dbraw/zinc/31/54/14/1055315414.db2.gz XROMRVUFKLNCFJ-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN C#C[C@H]1CCCN(Cc2ccc(-c3cccc(C)c3C)nc2)C1 ZINC001236988681 1055326641 /nfs/dbraw/zinc/32/66/41/1055326641.db2.gz JNNFOCLEEKJTMX-SFHVURJKSA-N 0 3 304.437 4.211 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237015973 1055339389 /nfs/dbraw/zinc/33/93/89/1055339389.db2.gz GFGJHGLWGJQTAG-UHFFFAOYSA-N 0 3 302.368 4.425 20 30 DIEDHN CCCCCCCCC[C@@H](C)CC(=O)N1CCNC(C)(C)C1 ZINC001587747305 1055357062 /nfs/dbraw/zinc/35/70/62/1055357062.db2.gz KMEFZQKELBIORI-QGZVFWFLSA-N 0 3 310.526 4.364 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(OC(C)(C)C)c1 ZINC001237101614 1055371394 /nfs/dbraw/zinc/37/13/94/1055371394.db2.gz ZVPLMTASJQUNKY-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN COc1ccc2c(c1)nccc2N[C@H](C)c1cccc(C#N)c1 ZINC000765512895 1055419880 /nfs/dbraw/zinc/41/98/80/1055419880.db2.gz JLXUMKISZJSHIQ-CYBMUJFWSA-N 0 3 303.365 4.288 20 30 DIEDHN CCCCCCCCCCN(C)Cc1ccc(C(=O)OC)nc1 ZINC001237441437 1055454274 /nfs/dbraw/zinc/45/42/74/1055454274.db2.gz MNWKVQLXDFTNDC-UHFFFAOYSA-N 0 3 320.477 4.441 20 30 DIEDHN CCN(Cc1cccs1)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472021 1055458678 /nfs/dbraw/zinc/45/86/78/1055458678.db2.gz AYRCBDPLAPBABK-UHFFFAOYSA-N 0 3 309.438 4.134 20 30 DIEDHN C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643700 1055495053 /nfs/dbraw/zinc/49/50/53/1055495053.db2.gz AVPKRUCSJLEOTC-HNNXBMFYSA-N 0 3 309.384 4.044 20 30 DIEDHN C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643700 1055495059 /nfs/dbraw/zinc/49/50/59/1055495059.db2.gz AVPKRUCSJLEOTC-HNNXBMFYSA-N 0 3 309.384 4.044 20 30 DIEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC001237710584 1055513045 /nfs/dbraw/zinc/51/30/45/1055513045.db2.gz DSNZWGIDFDRFIA-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001238192387 1055617627 /nfs/dbraw/zinc/61/76/27/1055617627.db2.gz RZBXOCYGSVWBPH-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN CC(C)c1cc(CN2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001238224865 1055624808 /nfs/dbraw/zinc/62/48/08/1055624808.db2.gz WNTNHYYDNAJMAF-INIZCTEOSA-N 0 3 321.873 4.238 20 30 DIEDHN CC[C@@H](C)CN(C)c1ccc(F)cc1CNCC(C)(C)CC#N ZINC001620964741 1055667323 /nfs/dbraw/zinc/66/73/23/1055667323.db2.gz DOMHSNRGEUEYPD-OAHLLOKOSA-N 0 3 319.468 4.337 20 30 DIEDHN Cc1cc(CN2CCC[C@H](C#N)CC2)cnc1-c1ccccc1 ZINC001238615414 1055699047 /nfs/dbraw/zinc/69/90/47/1055699047.db2.gz ORYWZOGMQWSZFO-KRWDZBQOSA-N 0 3 305.425 4.183 20 30 DIEDHN CCc1cc(CN2CCC[C@@H]2c2ccccc2OC)ccc1C#N ZINC001238778743 1055750616 /nfs/dbraw/zinc/75/06/16/1055750616.db2.gz QELIODBNRBLSNI-HXUWFJFHSA-N 0 3 320.436 4.466 20 30 DIEDHN CN1CCCC[C@@H]1c1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239292530 1055861275 /nfs/dbraw/zinc/86/12/75/1055861275.db2.gz WYHMZOCGHKCMMC-WAEYIKQSSA-N 0 3 303.409 4.280 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)ccc(Cl)c1Cl ZINC001620978183 1055869345 /nfs/dbraw/zinc/86/93/45/1055869345.db2.gz YHEMRIKROUMHBS-ZANVPECISA-N 0 3 320.647 4.328 20 30 DIEDHN C=CCCC[C@@H](NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC001621048463 1056008356 /nfs/dbraw/zinc/00/83/56/1056008356.db2.gz LWGKZMPQCZGBLX-LJQANCHMSA-N 0 3 323.484 4.486 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(C#N)cc2C)cc1OC ZINC000186319492 1056101467 /nfs/dbraw/zinc/10/14/67/1056101467.db2.gz IOPOHLWHKCHRSY-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN N#Cc1cc(CNC2(c3ccc(F)cc3)CCCC2)cs1 ZINC000921656755 1056168384 /nfs/dbraw/zinc/16/83/84/1056168384.db2.gz XDPLUVOEJPGFAI-UHFFFAOYSA-N 0 3 300.402 4.318 20 30 DIEDHN CCO[C@@H]1C[C@H](N(C)Cc2csc(C#N)c2)C1(CC)CC ZINC001621131225 1056176866 /nfs/dbraw/zinc/17/68/66/1056176866.db2.gz UIZLEQQKEXEPMJ-JKSUJKDBSA-N 0 3 306.475 4.035 20 30 DIEDHN Cc1cc(C2=CCCN(Cc3ccccc3)C2)cc(F)c1C#N ZINC001240387074 1056469227 /nfs/dbraw/zinc/46/92/27/1056469227.db2.gz LYYYLVIACJJILQ-UHFFFAOYSA-N 0 3 306.384 4.295 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)[C@H](CCOC)c1ccccc1 ZINC001615331779 1056493375 /nfs/dbraw/zinc/49/33/75/1056493375.db2.gz CGECRYIMXFFRMH-OAQYLSRUSA-N 0 3 320.436 4.324 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(N(C)C)c(C)c1 ZINC001615332346 1056494731 /nfs/dbraw/zinc/49/47/31/1056494731.db2.gz MTVRWTATBDNZHH-UHFFFAOYSA-N 0 3 319.452 4.121 20 30 DIEDHN COc1ccc([C@H](C)NCc2c(C)cc(C#N)cc2C)cc1F ZINC000921808486 1056511216 /nfs/dbraw/zinc/51/12/16/1056511216.db2.gz AHLMYPWLIVNBKY-AWEZNQCLSA-N 0 3 312.388 4.174 20 30 DIEDHN CC(C)C[C@@H]1CCCCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001615583410 1056539977 /nfs/dbraw/zinc/53/99/77/1056539977.db2.gz KOEAIIJPFRCDNK-INIZCTEOSA-N 0 3 315.417 4.257 20 30 DIEDHN FC(F)(F)c1ccc(C#CCN2CCC3(CCCC3)C2)cc1 ZINC001615645218 1056552196 /nfs/dbraw/zinc/55/21/96/1056552196.db2.gz XOQZEFDOIFLNMJ-UHFFFAOYSA-N 0 3 307.359 4.323 20 30 DIEDHN Cc1cc([C@@H](NCc2csc(C#N)c2)C2CC2)ccc1F ZINC000921936132 1056649352 /nfs/dbraw/zinc/64/93/52/1056649352.db2.gz ARCKFZKDFLIXGU-KRWDZBQOSA-N 0 3 300.402 4.308 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001616700475 1056702743 /nfs/dbraw/zinc/70/27/43/1056702743.db2.gz UUHOQBWNYXRCEF-HOTGVXAUSA-N 0 3 310.482 4.063 20 30 DIEDHN CC[C@]1(C)COCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001616888528 1056732852 /nfs/dbraw/zinc/73/28/52/1056732852.db2.gz XWOPSCAGEMKHCJ-OAQYLSRUSA-N 0 3 320.436 4.226 20 30 DIEDHN C[C@H]1CCCC[C@@H]1OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898687 1056735943 /nfs/dbraw/zinc/73/59/43/1056735943.db2.gz GOJWLPYZNTXMLE-UWJYYQICSA-N 0 3 324.468 4.243 20 30 DIEDHN Cc1ccc([C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)cc1 ZINC001617147702 1056783196 /nfs/dbraw/zinc/78/31/96/1056783196.db2.gz UDGBHBBGMIMTLS-IBGZPJMESA-N 0 3 309.840 4.489 20 30 DIEDHN C=CC[C@@H](C)N(C)Cc1cc(Br)ccc1Cl ZINC001617182699 1056788747 /nfs/dbraw/zinc/78/87/47/1056788747.db2.gz MBOQGFLLELESCX-SNVBAGLBSA-N 0 3 302.643 4.499 20 30 DIEDHN N#CCCC[C@H](NCc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000922145833 1056847511 /nfs/dbraw/zinc/84/75/11/1056847511.db2.gz XDAZPQGQCZJYRD-FQEVSTJZSA-N 0 3 322.456 4.208 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)CC#Cc1ccc(F)cc1 ZINC001617742135 1056875808 /nfs/dbraw/zinc/87/58/08/1056875808.db2.gz JOTKZHTZRFLFGB-HXUWFJFHSA-N 0 3 311.400 4.269 20 30 DIEDHN C#CC1(NCc2cccc(OCc3ccccc3)c2)CCCC1 ZINC001203471363 1056977981 /nfs/dbraw/zinc/97/79/81/1056977981.db2.gz NGROSOOFGJTLBI-UHFFFAOYSA-N 0 3 305.421 4.301 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OCC)c(F)c1)c1ccncc1 ZINC000785468589 1057007164 /nfs/dbraw/zinc/00/71/64/1057007164.db2.gz JSTBYLHKWWHCHG-QGZVFWFLSA-N 0 3 300.377 4.026 20 30 DIEDHN N#CCCCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347712688 1057008022 /nfs/dbraw/zinc/00/80/22/1057008022.db2.gz ASCACLNCWJLFBK-OAHLLOKOSA-N 0 3 302.809 4.047 20 30 DIEDHN N#CCCCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347712687 1057008487 /nfs/dbraw/zinc/00/84/87/1057008487.db2.gz ASCACLNCWJLFBK-HNNXBMFYSA-N 0 3 302.809 4.047 20 30 DIEDHN CSc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1C#N ZINC000922337862 1057012072 /nfs/dbraw/zinc/01/20/72/1057012072.db2.gz LEMZCJODGHVETD-UHFFFAOYSA-N 0 3 321.449 4.059 20 30 DIEDHN CC(C)[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000318305420 1057017194 /nfs/dbraw/zinc/01/71/94/1057017194.db2.gz REMSTJGWPFVXSZ-SFHVURJKSA-N 0 3 300.352 4.323 20 30 DIEDHN CN(C)c1cccc([C@@H]2CCCN2Cc2cc(C#N)cs2)c1 ZINC000093512932 1057038451 /nfs/dbraw/zinc/03/84/51/1057038451.db2.gz DDMQHWCVXHOUBK-SFHVURJKSA-N 0 3 311.454 4.023 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(C#N)cc2OC)c1F ZINC001241412581 1057045217 /nfs/dbraw/zinc/04/52/17/1057045217.db2.gz VIPWBFGYEPNMIY-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN C=CCc1cc(C)cnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241502040 1057070950 /nfs/dbraw/zinc/07/09/50/1057070950.db2.gz MYHQZDRTKBENOB-UHFFFAOYSA-N 0 3 304.437 4.408 20 30 DIEDHN N#CCc1cc(F)ccc1C1=CCN(Cc2ccccc2)CC1 ZINC001241504271 1057073926 /nfs/dbraw/zinc/07/39/26/1057073926.db2.gz CZLNQOUBGJWWOT-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN N#CCc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1F ZINC001241504598 1057075195 /nfs/dbraw/zinc/07/51/95/1057075195.db2.gz WBYJGZKWMKQHCY-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN [O-]/N=C1/CCc2cc(C3=CC[N@H+](Cc4ccccc4)CC3)ccc21 ZINC001241506905 1057076893 /nfs/dbraw/zinc/07/68/93/1057076893.db2.gz NHOQVEXIJJBDAZ-DQRAZIAOSA-N 0 3 318.420 4.100 20 30 DIEDHN [O-]/N=C1/CCc2cc(C3=CC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC001241506905 1057076900 /nfs/dbraw/zinc/07/69/00/1057076900.db2.gz NHOQVEXIJJBDAZ-DQRAZIAOSA-N 0 3 318.420 4.100 20 30 DIEDHN C=CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019263 1057113183 /nfs/dbraw/zinc/11/31/83/1057113183.db2.gz LFCNEFDSOXXGRD-ROUUACIJSA-N 0 3 311.385 4.348 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020590 1057117811 /nfs/dbraw/zinc/11/78/11/1057117811.db2.gz QNOVFEWKQKREJJ-GUYCJALGSA-N 0 3 300.377 4.197 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccncc1 ZINC000766021576 1057120991 /nfs/dbraw/zinc/12/09/91/1057120991.db2.gz UPHHCTNMRGLHCN-KSSFIOAISA-N 0 3 313.420 4.255 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021415 1057121723 /nfs/dbraw/zinc/12/17/23/1057121723.db2.gz SSZXBEWNOBGMQW-RDTXWAMCSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021410 1057121924 /nfs/dbraw/zinc/12/19/24/1057121924.db2.gz SSZXBEWNOBGMQW-KDOFPFPSSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@H](N[C@H]1CCCc2ccc(OC)cc21)c1ccncc1 ZINC000766021923 1057122999 /nfs/dbraw/zinc/12/29/99/1057122999.db2.gz VOWJRUCRNCZHTM-PMACEKPBSA-N 0 3 308.425 4.375 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(C(F)F)nc2)cc1 ZINC000658009432 1057218486 /nfs/dbraw/zinc/21/84/86/1057218486.db2.gz MEUVOLIEZGYERI-CYBMUJFWSA-N 0 3 318.367 4.435 20 30 DIEDHN CCN(CC)Cc1cccc(-c2cccc(OC)c2C#N)c1F ZINC001242299357 1057326393 /nfs/dbraw/zinc/32/63/93/1057326393.db2.gz MOKDQASSMAHRSW-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000245833030 1057345895 /nfs/dbraw/zinc/34/58/95/1057345895.db2.gz CANBHLLSEJAUIS-CWFSZBLJSA-N 0 3 306.409 4.129 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(F)cc2C#N)ccc1F ZINC001242584636 1057414858 /nfs/dbraw/zinc/41/48/58/1057414858.db2.gz ZDXJCJZNVGSVPB-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(C)cc3C#N)c(C)c2)CC1 ZINC001242591800 1057416741 /nfs/dbraw/zinc/41/67/41/1057416741.db2.gz VPSCFKHUIZLTRZ-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN CC(C)COc1ccc(C(C)(C)NCc2ccnc(C#N)c2)cc1 ZINC000611393092 1057595275 /nfs/dbraw/zinc/59/52/75/1057595275.db2.gz IONXMZJZODRUOX-UHFFFAOYSA-N 0 3 323.440 4.013 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1nccc2ccccc21 ZINC000611392353 1057595621 /nfs/dbraw/zinc/59/56/21/1057595621.db2.gz MXEKGEJWEJXLJA-HXUWFJFHSA-N 0 3 313.404 4.274 20 30 DIEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393166 1057595702 /nfs/dbraw/zinc/59/57/02/1057595702.db2.gz MBYJYWMMUJYKQF-RTBURBONSA-N 0 3 322.456 4.027 20 30 DIEDHN CCCCn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395249 1057596214 /nfs/dbraw/zinc/59/62/14/1057596214.db2.gz YDFHBPSPZBQERU-FQEVSTJZSA-N 0 3 322.456 4.031 20 30 DIEDHN N#Cc1cc(CN[C@@H](CC2CCCC2)c2ccccc2)ccn1 ZINC000611406247 1057597327 /nfs/dbraw/zinc/59/73/27/1057597327.db2.gz DDRRBPARWOQTGK-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN CC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000611433734 1057600653 /nfs/dbraw/zinc/60/06/53/1057600653.db2.gz OKTCQXNEKPNNKM-QGZVFWFLSA-N 0 3 324.428 4.057 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC1(c2ccc(F)cc2)CC1 ZINC000611473454 1057602267 /nfs/dbraw/zinc/60/22/67/1057602267.db2.gz HIBSUYLTHOUAJN-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(OCC#N)cc2)cc1F ZINC001243591548 1057726706 /nfs/dbraw/zinc/72/67/06/1057726706.db2.gz KCVTUULWRISIOF-UHFFFAOYSA-N 0 3 312.388 4.237 20 30 DIEDHN CC(C)CC(Cc1ccc(Cl)cc1Cl)=Nn1cnnc1 ZINC000730945246 1057730069 /nfs/dbraw/zinc/73/00/69/1057730069.db2.gz CPOSQLINHQZKNE-UHFFFAOYSA-N 0 3 311.216 4.078 20 30 DIEDHN C[NH+]1CCC(c2ccc(-c3cc(/C=N/[O-])ccc3F)cc2)CC1 ZINC001243656709 1057745570 /nfs/dbraw/zinc/74/55/70/1057745570.db2.gz GZHMBXSAMGKIQA-FYJGNVAPSA-N 0 3 312.388 4.110 20 30 DIEDHN CC[C@H](C#N)c1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1 ZINC001243670799 1057749908 /nfs/dbraw/zinc/74/99/08/1057749908.db2.gz BEVBKGLHAQVQIZ-QGZVFWFLSA-N 0 3 319.452 4.123 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(OC)cc2C#N)cc1F ZINC001243732295 1057765442 /nfs/dbraw/zinc/76/54/42/1057765442.db2.gz MROFHSQVLNLTOE-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN CCCCCCCCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000732159395 1057768377 /nfs/dbraw/zinc/76/83/77/1057768377.db2.gz HOSLYIRMBKHIMD-SFHVURJKSA-N 0 3 308.510 4.070 20 30 DIEDHN CCCCCCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000732732600 1057786950 /nfs/dbraw/zinc/78/69/50/1057786950.db2.gz CYNHSGJEFBZSIY-UHFFFAOYSA-N 0 3 316.489 4.474 20 30 DIEDHN C#CCCOc1ccc(CNCc2cccc(OC(C)C)c2)cc1 ZINC000733325066 1057812968 /nfs/dbraw/zinc/81/29/68/1057812968.db2.gz VFBXUPURQWVMGE-UHFFFAOYSA-N 0 3 323.436 4.166 20 30 DIEDHN Fc1ccc(C(F)(F)F)cc1CNCCSC(F)(F)F ZINC000733324882 1057813294 /nfs/dbraw/zinc/81/32/94/1057813294.db2.gz IFCJNUDZNGTZHQ-UHFFFAOYSA-N 0 3 321.261 4.187 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000733325946 1057813344 /nfs/dbraw/zinc/81/33/44/1057813344.db2.gz AGTZCDVCRKERGE-HXUWFJFHSA-N 0 3 323.461 4.166 20 30 DIEDHN C#CCCOc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000733327501 1057813808 /nfs/dbraw/zinc/81/38/08/1057813808.db2.gz SQAIBSDGNLWNIA-UHFFFAOYSA-N 0 3 323.411 4.397 20 30 DIEDHN CCN(CC)Cc1cccc(-c2cc(C#N)ccc2F)c1F ZINC001244558137 1057995734 /nfs/dbraw/zinc/99/57/34/1057995734.db2.gz IQDZCBZTHVZFFB-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN N#Cc1c(Cl)cccc1-c1cnccc1CN1CCCCC1 ZINC001244733417 1058036256 /nfs/dbraw/zinc/03/62/56/1058036256.db2.gz AKEWKWSDUDICOE-UHFFFAOYSA-N 0 3 311.816 4.260 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cccc(C#N)c3C)c(C)c2)CC1 ZINC001244814008 1058051374 /nfs/dbraw/zinc/05/13/74/1058051374.db2.gz KRHJOLFSTFKWFV-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN CCCCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001278441778 1058808093 /nfs/dbraw/zinc/80/80/93/1058808093.db2.gz HLELXVWEVKGWJZ-HDICACEKSA-N 0 3 323.525 4.004 20 30 DIEDHN CN(C)[C@@H](CNc1cc(F)ccc1C#N)c1ccc(Cl)cc1 ZINC001559123626 1059010239 /nfs/dbraw/zinc/01/02/39/1059010239.db2.gz JFDCDSFOPKDWNV-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1c(C)cc(C)nc1C ZINC001559484033 1059255345 /nfs/dbraw/zinc/25/53/45/1059255345.db2.gz FSCVYHJNGWCRFQ-UHFFFAOYSA-N 0 3 307.441 4.291 20 30 DIEDHN CCCCCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482900 1059256175 /nfs/dbraw/zinc/25/61/75/1059256175.db2.gz RWSBRXOCROBSGY-UHFFFAOYSA-N 0 3 319.449 4.077 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1ccc(Cl)c(OC)c1 ZINC001559688727 1059516398 /nfs/dbraw/zinc/51/63/98/1059516398.db2.gz BQIWPNGFOTXXKV-UHFFFAOYSA-N 0 3 305.805 4.172 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC001559694816 1059522847 /nfs/dbraw/zinc/52/28/47/1059522847.db2.gz JGNLXJAKFHFYKR-LJQANCHMSA-N 0 3 318.424 4.064 20 30 DIEDHN C=C(Cc1ccccc1)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001247574050 1059557729 /nfs/dbraw/zinc/55/77/29/1059557729.db2.gz SMBBJGAADATFDU-UHFFFAOYSA-N 0 3 319.408 4.054 20 30 DIEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2C2(CCC2)C1 ZINC001559827574 1059662558 /nfs/dbraw/zinc/66/25/58/1059662558.db2.gz RCZOANLOHJQYFB-UHFFFAOYSA-N 0 3 302.421 4.304 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830982 1059665303 /nfs/dbraw/zinc/66/53/03/1059665303.db2.gz TXACMOYKUPKITC-BLLLJJGKSA-N 0 3 311.347 4.428 20 30 DIEDHN C=CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)COC ZINC001559992438 1059798523 /nfs/dbraw/zinc/79/85/23/1059798523.db2.gz AFTXJAHKURKCQX-NSHDSACASA-N 0 3 321.770 4.382 20 30 DIEDHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001560003692 1059810313 /nfs/dbraw/zinc/81/03/13/1059810313.db2.gz AIVPTAANNBFTNG-CHWSQXEVSA-N 0 3 308.372 4.170 20 30 DIEDHN SC1CCN(Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001248520384 1059862330 /nfs/dbraw/zinc/86/23/30/1059862330.db2.gz TWNNSNPUSLEUBJ-UHFFFAOYSA-N 0 3 318.873 4.296 20 30 DIEDHN N#Cc1cccc(CN2CCCC[C@H]2Cc2ccc(O)cc2)c1F ZINC001560216537 1059991443 /nfs/dbraw/zinc/99/14/43/1059991443.db2.gz DPRDHIJPHDZLBC-SFHVURJKSA-N 0 3 324.399 4.000 20 30 DIEDHN C#CCN(Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001248817712 1059996359 /nfs/dbraw/zinc/99/63/59/1059996359.db2.gz HIYNZPGYNXDIDS-HXUWFJFHSA-N 0 3 318.395 4.430 20 30 DIEDHN C=CCN(Cc1ccc(OCc2ccccc2)cn1)C(C)(C)C ZINC001248864605 1060028812 /nfs/dbraw/zinc/02/88/12/1060028812.db2.gz LIUYRDREDVGXEM-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCCC1CCCCC1 ZINC001560263422 1060032327 /nfs/dbraw/zinc/03/23/27/1060032327.db2.gz DAEXBFRSFUCTHO-UHFFFAOYSA-N 0 3 305.849 4.412 20 30 DIEDHN C=CC[C@@H](NCc1cccc(OC(F)F)c1)c1ccncc1 ZINC001560338770 1060125587 /nfs/dbraw/zinc/12/55/87/1060125587.db2.gz METVNYUGSAGFMN-MRXNPFEDSA-N 0 3 304.340 4.090 20 30 DIEDHN C#CCOc1ccc(CNCc2c(C)cc(Cl)cc2C)cc1 ZINC001560477269 1060267500 /nfs/dbraw/zinc/26/75/00/1060267500.db2.gz HTNHKJSATJBYIJ-UHFFFAOYSA-N 0 3 313.828 4.259 20 30 DIEDHN C#Cc1cccc(CNCc2cccc(Oc3ccccn3)c2)c1 ZINC001560503132 1060299222 /nfs/dbraw/zinc/29/92/22/1060299222.db2.gz BUFRNTOCIGGBBF-UHFFFAOYSA-N 0 3 314.388 4.145 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(CC#N)cc2)cc1C ZINC001560515464 1060316098 /nfs/dbraw/zinc/31/60/98/1060316098.db2.gz YRSXPGAJWIPXIF-UHFFFAOYSA-N 0 3 308.425 4.140 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H](c3ccccc3)CC2)c1F ZINC001249687323 1060348692 /nfs/dbraw/zinc/34/86/92/1060348692.db2.gz AOLQORUQWGLHAK-KRWDZBQOSA-N 0 3 308.400 4.467 20 30 DIEDHN C=CCCC(C)(C)CNCc1csc(-c2ccccn2)n1 ZINC001560555065 1060363908 /nfs/dbraw/zinc/36/39/08/1060363908.db2.gz YFPJOLOACVSCHS-UHFFFAOYSA-N 0 3 301.459 4.287 20 30 DIEDHN CCO[C@H]1C[C@H](N(C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668213 1060495500 /nfs/dbraw/zinc/49/55/00/1060495500.db2.gz DQOYXEYXXBSFNY-IRXDYDNUSA-N 0 3 318.486 4.179 20 30 DIEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCOc2ccccc21 ZINC001560682598 1060529485 /nfs/dbraw/zinc/52/94/85/1060529485.db2.gz GDFFMWCSOZBIIH-MRXNPFEDSA-N 0 3 311.400 4.380 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)[C@H](C)C2)cc1OC ZINC001560687247 1060530048 /nfs/dbraw/zinc/53/00/48/1060530048.db2.gz IXOTXVAIRQKHBK-BETUJISGSA-N 0 3 309.837 4.001 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)[C@H]1CCC(C)(C)C1 ZINC001560804197 1060663567 /nfs/dbraw/zinc/66/35/67/1060663567.db2.gz VIWFEZWEPJJYFP-AWEZNQCLSA-N 0 3 305.849 4.363 20 30 DIEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)CC12CCCCC2 ZINC001560878366 1060738993 /nfs/dbraw/zinc/73/89/93/1060738993.db2.gz UAQWELWBTRXPEZ-SFHVURJKSA-N 0 3 300.421 4.488 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CC=C)C1 ZINC001560922944 1060787996 /nfs/dbraw/zinc/78/79/96/1060787996.db2.gz MLXYPELKJMZUPW-OAHLLOKOSA-N 0 3 303.833 4.140 20 30 DIEDHN C=CCCCCN(C)Cc1cccc(OC)c1OCC1CC1 ZINC001250528516 1060875538 /nfs/dbraw/zinc/87/55/38/1060875538.db2.gz VRDNPGPSVSCQFO-UHFFFAOYSA-N 0 3 303.446 4.272 20 30 DIEDHN C[C@@H]1Cc2ccccc2CN1Cc1ccccc1C(C)(C)C#N ZINC001473201147 1060962019 /nfs/dbraw/zinc/96/20/19/1060962019.db2.gz OVSIJIYZLUYGJS-MRXNPFEDSA-N 0 3 304.437 4.435 20 30 DIEDHN CC[C@H](C)CN(CC)Cc1cc(C#N)ccc1Br ZINC001473204771 1060971421 /nfs/dbraw/zinc/97/14/21/1060971421.db2.gz ZJGWXOUSIQLMED-LBPRGKRZSA-N 0 3 309.251 4.189 20 30 DIEDHN Cc1cc(C)c2c(c1)CN(Cc1c(C)cc(C#N)cc1C)CC2 ZINC001473397488 1061134557 /nfs/dbraw/zinc/13/45/57/1061134557.db2.gz LUCQVZGRWKHYSZ-UHFFFAOYSA-N 0 3 304.437 4.350 20 30 DIEDHN C=C(C)[C@@H](NC[C@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400254 1061136388 /nfs/dbraw/zinc/13/63/88/1061136388.db2.gz NNYSOYNBDNZDJJ-RHSMWYFYSA-N 0 3 307.384 4.131 20 30 DIEDHN N#Cc1cccc(C2(NCc3ccc(F)c4cccnc34)CC2)c1 ZINC001473465326 1061174305 /nfs/dbraw/zinc/17/43/05/1061174305.db2.gz NTHDIAXEHZASDS-UHFFFAOYSA-N 0 3 317.367 4.024 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001462451364 1061181613 /nfs/dbraw/zinc/18/16/13/1061181613.db2.gz LAMHXVXVBJWYSJ-UHFFFAOYSA-N 0 3 313.397 4.131 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(CCC1CC1)CC1CC1 ZINC001462451222 1061182369 /nfs/dbraw/zinc/18/23/69/1061182369.db2.gz BYQOVSGTOWSYOP-UHFFFAOYSA-N 0 3 317.860 4.364 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462526896 1061237429 /nfs/dbraw/zinc/23/74/29/1061237429.db2.gz XXGUOYODGYTGNB-IDHHARJASA-N 0 3 322.456 4.466 20 30 DIEDHN C=CCCCN(CC)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC001473861577 1061437019 /nfs/dbraw/zinc/43/70/19/1061437019.db2.gz CIKZJUNNUYWXHF-KRWDZBQOSA-N 0 3 322.518 4.240 20 30 DIEDHN C=CCCCN(CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001473861643 1061437639 /nfs/dbraw/zinc/43/76/39/1061437639.db2.gz FSSATOGXUCSNNK-UHFFFAOYSA-N 0 3 315.373 4.038 20 30 DIEDHN CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCc2ccccc2C1 ZINC001473881732 1061447351 /nfs/dbraw/zinc/44/73/51/1061447351.db2.gz WNKVJPYULJSQSH-SFHVURJKSA-N 0 3 310.828 4.201 20 30 DIEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC001473881516 1061447602 /nfs/dbraw/zinc/44/76/02/1061447602.db2.gz UAMXPBZGSCVSQJ-HXUWFJFHSA-N 0 3 309.840 4.181 20 30 DIEDHN C=CCOc1cccc(CNCc2ccccc2COCC)c1 ZINC001473921255 1061470072 /nfs/dbraw/zinc/47/00/72/1061470072.db2.gz FIHGNLOLYWQAJK-UHFFFAOYSA-N 0 3 311.425 4.078 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001464846458 1061639959 /nfs/dbraw/zinc/63/99/59/1061639959.db2.gz IEPUXBRUTDCHBD-TZZQJPOUSA-N 0 3 320.521 4.236 20 30 DIEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001252623802 1061682390 /nfs/dbraw/zinc/68/23/90/1061682390.db2.gz QXMZNXVNILPVDW-RTBURBONSA-N 0 3 315.844 4.346 20 30 DIEDHN C#Cc1ccc(CNCc2cccc(Oc3ccccn3)c2)cc1 ZINC001474152239 1061695134 /nfs/dbraw/zinc/69/51/34/1061695134.db2.gz DOJHAAWRIYJTER-UHFFFAOYSA-N 0 3 314.388 4.145 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1OC ZINC001474198259 1061746965 /nfs/dbraw/zinc/74/69/65/1061746965.db2.gz ZUNSAMZFQJGSTO-IBGZPJMESA-N 0 3 323.436 4.346 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nccc(C)c1Br ZINC001474207950 1061763595 /nfs/dbraw/zinc/76/35/95/1061763595.db2.gz MELCNXNQWAWSNE-KBPBESRZSA-N 0 3 323.278 4.377 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ncccc1C ZINC001252981034 1061773470 /nfs/dbraw/zinc/77/34/70/1061773470.db2.gz XYIJRPUEQLSIBK-GOSISDBHSA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CN[C@H](C)c1cncnc1 ZINC001252987053 1061777390 /nfs/dbraw/zinc/77/73/90/1061777390.db2.gz QIMVQOGUDSATQM-SJLPKXTDSA-N 0 3 307.482 4.019 20 30 DIEDHN C=C[C@@H](NC[C@H](O)COC[C@@H](CC)CCCC)c1ccccc1 ZINC001253034044 1061788840 /nfs/dbraw/zinc/78/88/40/1061788840.db2.gz NLUSSWMKXYYQPY-YSIASYRMSA-N 0 3 319.489 4.097 20 30 DIEDHN CSc1ccc(CNCc2ccc3[nH]ccc3c2)cc1C#N ZINC001474265575 1061833657 /nfs/dbraw/zinc/83/36/57/1061833657.db2.gz BTVWSMXJRAXATN-UHFFFAOYSA-N 0 3 307.422 4.051 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNc1ccc2nc(C)[nH]c2c1 ZINC001253243840 1061841781 /nfs/dbraw/zinc/84/17/81/1061841781.db2.gz AMGUUXFGVDRUOV-MRXNPFEDSA-N 0 3 301.434 4.171 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1nc2ccccc2s1 ZINC001253246763 1061847875 /nfs/dbraw/zinc/84/78/75/1061847875.db2.gz UHFLJROPPMRXED-HNNXBMFYSA-N 0 3 318.486 4.273 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H](C)c1ccc(OC)cc1F ZINC001253252240 1061855055 /nfs/dbraw/zinc/85/50/55/1061855055.db2.gz SWFWIAJFPDBXKW-JKSUJKDBSA-N 0 3 323.452 4.372 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CCC[C@@H]2CC)cc1OC ZINC001474310993 1061881432 /nfs/dbraw/zinc/88/14/32/1061881432.db2.gz BQEFQHAPEGQTDN-AWEZNQCLSA-N 0 3 309.837 4.288 20 30 DIEDHN CCN(Cc1cccn1C(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC001474369017 1062004441 /nfs/dbraw/zinc/00/44/41/1062004441.db2.gz BAEQGMGRFGXXOI-CYBMUJFWSA-N 0 3 303.356 4.338 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC001254388798 1062091474 /nfs/dbraw/zinc/09/14/74/1062091474.db2.gz IKMVAHHVHOYDLN-UTKZUKDTSA-N 0 3 320.436 4.300 20 30 DIEDHN C#CCN(Cc1ccc(N(C)CC)cc1)[C@@H]1CCc2ccccc21 ZINC001459344271 1062100634 /nfs/dbraw/zinc/10/06/34/1062100634.db2.gz LVYXQPBJMYKINH-JOCHJYFZSA-N 0 3 318.464 4.265 20 30 DIEDHN Cc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1C#N ZINC001459355272 1062108377 /nfs/dbraw/zinc/10/83/77/1062108377.db2.gz PZBNZHHFGXHYOB-NRFANRHFSA-N 0 3 320.436 4.048 20 30 DIEDHN CCC[C@H](CCc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001254486309 1062128989 /nfs/dbraw/zinc/12/89/89/1062128989.db2.gz YJGCFOHQXVHKAN-MRXNPFEDSA-N 0 3 315.848 4.242 20 30 DIEDHN N#Cc1c(F)cccc1CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001474459051 1062137803 /nfs/dbraw/zinc/13/78/03/1062137803.db2.gz RZAXZROWNPUXTE-FUHWJXTLSA-N 0 3 308.400 4.198 20 30 DIEDHN C=CCCN(Cc1cc(Br)ccc1OCC)C1CC1 ZINC001459461357 1062152274 /nfs/dbraw/zinc/15/22/74/1062152274.db2.gz DNIQCTXLVZOENV-UHFFFAOYSA-N 0 3 324.262 4.388 20 30 DIEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1ccncc1C#N ZINC001459550297 1062199882 /nfs/dbraw/zinc/19/98/82/1062199882.db2.gz MVSNIXWDBZKGRD-FQEVSTJZSA-N 0 3 307.441 4.105 20 30 DIEDHN C#C[C@@H](N[C@@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558217 1062260159 /nfs/dbraw/zinc/26/01/59/1062260159.db2.gz XYEJNFJPUBTMOT-SCLBCKFNSA-N 0 3 301.792 4.374 20 30 DIEDHN CC[C@H](CC#N)NCCc1ccc(CCc2ccccc2)cc1 ZINC001255165566 1062349654 /nfs/dbraw/zinc/34/96/54/1062349654.db2.gz YWJZGFVEZMARKO-OAQYLSRUSA-N 0 3 306.453 4.296 20 30 DIEDHN CCCCCCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001459747600 1062358956 /nfs/dbraw/zinc/35/89/56/1062358956.db2.gz HENLTUGUSBBRRT-UHFFFAOYSA-N 0 3 322.468 4.317 20 30 DIEDHN CCCCCCCN(C)Cc1cc(Br)cn1C ZINC001459808896 1062416061 /nfs/dbraw/zinc/41/60/61/1062416061.db2.gz UHHYKDUBWYDCRV-UHFFFAOYSA-N 0 3 301.272 4.190 20 30 DIEDHN CC1(C)CCC[C@@H](CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001474727452 1062449791 /nfs/dbraw/zinc/44/97/91/1062449791.db2.gz DECMOWOPWDISRY-MJGOQNOKSA-N 0 3 312.457 4.148 20 30 DIEDHN C=CCCCCC[C@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC001474745371 1062461052 /nfs/dbraw/zinc/46/10/52/1062461052.db2.gz USMWAWCTMRQHKK-LBPRGKRZSA-N 0 3 303.372 4.054 20 30 DIEDHN C#CCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459958938 1062526264 /nfs/dbraw/zinc/52/62/64/1062526264.db2.gz NHRAMGBVTQWYIL-LBPRGKRZSA-N 0 3 309.253 4.312 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001255706944 1062533365 /nfs/dbraw/zinc/53/33/65/1062533365.db2.gz YMJQHHIHYJGVBP-HOTGVXAUSA-N 0 3 308.347 4.037 20 30 DIEDHN CCCCCCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC001459992993 1062553233 /nfs/dbraw/zinc/55/32/33/1062553233.db2.gz PPPGKRLNYROVBY-UHFFFAOYSA-N 0 3 311.416 4.219 20 30 DIEDHN C[C@@H](CCc1ccc(Br)cc1)NCC1(C#N)CCC1 ZINC001256213954 1062750450 /nfs/dbraw/zinc/75/04/50/1062750450.db2.gz CYAIQPRAFQZRBQ-ZDUSSCGKSA-N 0 3 321.262 4.054 20 30 DIEDHN C=CCN(Cc1cc(-c2ccc(OC)cc2)no1)C(C)(C)C ZINC001460451950 1062862089 /nfs/dbraw/zinc/86/20/89/1062862089.db2.gz RCSRMSBUQXZIHU-UHFFFAOYSA-N 0 3 300.402 4.137 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)cc1OC)c1cc(C)ccc1C ZINC001460624988 1062944569 /nfs/dbraw/zinc/94/45/69/1062944569.db2.gz CRSFMUFIXWGQIT-LJQANCHMSA-N 0 3 308.425 4.425 20 30 DIEDHN CCCCCCCCCN1CCc2nc(N(C)C)sc2C1 ZINC001460711972 1063007319 /nfs/dbraw/zinc/00/73/19/1063007319.db2.gz GQYMUQRIPIVMCY-UHFFFAOYSA-N 0 3 309.523 4.318 20 30 DIEDHN C[C@@H](Cc1ccccc1Br)N1CCC(CC#N)CC1 ZINC001256845465 1063012156 /nfs/dbraw/zinc/01/21/56/1063012156.db2.gz ZGVXOMUVRFKZQT-ZDUSSCGKSA-N 0 3 321.262 4.006 20 30 DIEDHN N#CC1CCC(NCc2csc(-c3cccc(F)c3)n2)CC1 ZINC001256964050 1063061381 /nfs/dbraw/zinc/06/13/81/1063061381.db2.gz ULPWSBJWINARPW-UHFFFAOYSA-N 0 3 315.417 4.121 20 30 DIEDHN N#Cc1ccc(C2CCC(N3CCc4cnccc4C3)CC2)cc1 ZINC001257017376 1063082064 /nfs/dbraw/zinc/08/20/64/1063082064.db2.gz SORIDRFKXKFJOB-UHFFFAOYSA-N 0 3 317.436 4.038 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](c2ccccc2)CC1 ZINC001460946163 1063151653 /nfs/dbraw/zinc/15/16/53/1063151653.db2.gz HVJCIQLBQHMZQG-JXFKEZNVSA-N 0 3 306.409 4.083 20 30 DIEDHN COc1ccc2cc(CC[C@@H](C)N3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001257285073 1063179492 /nfs/dbraw/zinc/17/94/92/1063179492.db2.gz MXOFVIGZNREWKP-IERDGZPVSA-N 0 3 322.452 4.405 20 30 DIEDHN Cc1cc(SCCN(C)Cc2ccc(F)cc2)ccc1C#N ZINC001473049296 1063373407 /nfs/dbraw/zinc/37/34/07/1063373407.db2.gz UUQRZGKBLOFDEJ-UHFFFAOYSA-N 0 3 314.429 4.230 20 30 DIEDHN N#CCC1(CN(Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC001473110055 1063409652 /nfs/dbraw/zinc/40/96/52/1063409652.db2.gz KRXQPDRBLGCTQV-UHFFFAOYSA-N 0 3 308.347 4.364 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1c(C)cc(C#N)cc1C ZINC001473114452 1063416969 /nfs/dbraw/zinc/41/69/69/1063416969.db2.gz CYHVPUKWBXTMSR-UHFFFAOYSA-N 0 3 320.436 4.372 20 30 DIEDHN C=CCCC[C@@H](C)NCc1cc(Br)cnc1Cl ZINC001461394414 1063472144 /nfs/dbraw/zinc/47/21/44/1063472144.db2.gz XTJCPSJGPUHCJE-SNVBAGLBSA-N 0 3 317.658 4.332 20 30 DIEDHN CCCCCCC[C@@H](C)n1nc(-c2ccncc2)cc1CN ZINC001258041053 1063472750 /nfs/dbraw/zinc/47/27/50/1063472750.db2.gz KVFBITUZGLUYSA-OAHLLOKOSA-N 0 3 300.450 4.325 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1nccn1CC(F)(F)F ZINC001258041261 1063472981 /nfs/dbraw/zinc/47/29/81/1063472981.db2.gz QTNQZTSAFGIFQS-CYBMUJFWSA-N 0 3 305.388 4.284 20 30 DIEDHN CCCCCCC[C@@H](C)N[C@H](CC(=O)OC)c1ccccn1 ZINC001258041328 1063474455 /nfs/dbraw/zinc/47/44/55/1063474455.db2.gz RNJALNXQSHJPDO-NVXWUHKLSA-N 0 3 306.450 4.024 20 30 DIEDHN CCCCCCC[C@H](C)N[C@H](CC(=O)OC)c1ccccn1 ZINC001258041327 1063474943 /nfs/dbraw/zinc/47/49/43/1063474943.db2.gz RNJALNXQSHJPDO-DOTOQJQBSA-N 0 3 306.450 4.024 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cc(OCC2CC2)ncn1 ZINC001258043620 1063478948 /nfs/dbraw/zinc/47/89/48/1063478948.db2.gz QJOVNDYSHWRCQE-HNNXBMFYSA-N 0 3 305.466 4.104 20 30 DIEDHN C=CCSCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC001461426904 1063493165 /nfs/dbraw/zinc/49/31/65/1063493165.db2.gz AYGYUFCNDSTHJQ-UHFFFAOYSA-N 0 3 309.381 4.234 20 30 DIEDHN CCCCCCCCC[C@@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001258228082 1063567647 /nfs/dbraw/zinc/56/76/47/1063567647.db2.gz CXKVOLWYHUSBDU-UXHICEINSA-N 0 3 324.553 4.312 20 30 DIEDHN CCCCCCCCC[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001258228080 1063569993 /nfs/dbraw/zinc/56/99/93/1063569993.db2.gz CXKVOLWYHUSBDU-PMACEKPBSA-N 0 3 324.553 4.312 20 30 DIEDHN C[C@H](CC(C)(C)SCc1ccco1)NCC1(C#N)CCC1 ZINC001258297294 1063594687 /nfs/dbraw/zinc/59/46/87/1063594687.db2.gz HHVBOPTYAHJTFQ-CQSZACIVSA-N 0 3 306.475 4.353 20 30 DIEDHN N#CCC1(NC2CCN(c3ccccc3Cl)CC2)CCCC1 ZINC001258541526 1063689166 /nfs/dbraw/zinc/68/91/66/1063689166.db2.gz OVONFQCVIQUQAE-UHFFFAOYSA-N 0 3 317.864 4.125 20 30 DIEDHN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cccc(F)c1C#N ZINC001461854797 1063751751 /nfs/dbraw/zinc/75/17/51/1063751751.db2.gz VFMZFMIILBCVAB-GOSISDBHSA-N 0 3 310.416 4.459 20 30 DIEDHN C=CCCCCCN(C)Cc1cn(-c2cccc(F)c2)nc1C ZINC001461959250 1063842296 /nfs/dbraw/zinc/84/22/96/1063842296.db2.gz LQKSUYCUZOYCGV-UHFFFAOYSA-N 0 3 315.436 4.498 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001303988335 1065126351 /nfs/dbraw/zinc/12/63/51/1065126351.db2.gz HQGIXGRHDSTILZ-LKBMAGLMSA-N 0 3 308.510 4.140 20 30 DIEDHN C#CCN(C[C@H]1CCCCC1(F)F)[C@H]1CCc2ccccc21 ZINC001307428403 1065387771 /nfs/dbraw/zinc/38/77/71/1065387771.db2.gz CYYYJDMZCSAMNH-AEFFLSMTSA-N 0 3 303.396 4.435 20 30 DIEDHN C=CCN(Cc1ccnc(Br)c1)CC1CCCCC1 ZINC001307470419 1065419013 /nfs/dbraw/zinc/41/90/13/1065419013.db2.gz KHJJZUBILNPFPB-UHFFFAOYSA-N 0 3 323.278 4.412 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1cc(C#N)ccn1)CC1CCC1 ZINC001307483802 1065429773 /nfs/dbraw/zinc/42/97/73/1065429773.db2.gz VNPVEHUWWCBELB-INIZCTEOSA-N 0 3 305.425 4.317 20 30 DIEDHN C[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC001307488568 1065431828 /nfs/dbraw/zinc/43/18/28/1065431828.db2.gz DDAAKGMWZZWEHY-KBPBESRZSA-N 0 3 311.347 4.057 20 30 DIEDHN Clc1ccc(C#CCN2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001307489221 1065435017 /nfs/dbraw/zinc/43/50/17/1065435017.db2.gz HMQPLNCKZFXZDC-IBGZPJMESA-N 0 3 309.840 4.256 20 30 DIEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503460 1065445689 /nfs/dbraw/zinc/44/56/89/1065445689.db2.gz ORCPHFZQEDPFND-SJORKVTESA-N 0 3 318.486 4.179 20 30 DIEDHN CCCCCCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001307517297 1065456385 /nfs/dbraw/zinc/45/63/85/1065456385.db2.gz XJRRVAGOGQBXRQ-UHFFFAOYSA-N 0 3 312.498 4.288 20 30 DIEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552195 1065478328 /nfs/dbraw/zinc/47/83/28/1065478328.db2.gz TUDYQYFMJNLESO-CVEARBPZSA-N 0 3 306.475 4.035 20 30 DIEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC001307696775 1065568862 /nfs/dbraw/zinc/56/88/62/1065568862.db2.gz AIZNVNUDXRRMHW-JKSUJKDBSA-N 0 3 308.878 4.366 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC001307761638 1065609410 /nfs/dbraw/zinc/60/94/10/1065609410.db2.gz JDSSLDSRRPSEDF-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN Cc1cc(F)ccc1[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001308061349 1065743682 /nfs/dbraw/zinc/74/36/82/1065743682.db2.gz GLMKCMCEYKPWRZ-CQSZACIVSA-N 0 3 301.792 4.490 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCC[C@@H](SC)C1 ZINC001308269640 1065870408 /nfs/dbraw/zinc/87/04/08/1065870408.db2.gz VGJHOZDRMJIUHW-UONOGXRCSA-N 0 3 323.889 4.116 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OC(F)F)cc1)c1ccncc1 ZINC001308272702 1065871950 /nfs/dbraw/zinc/87/19/50/1065871950.db2.gz HEUAMKAYYRXDDL-MRXNPFEDSA-N 0 3 304.340 4.090 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1csc(C#N)c1 ZINC001308276469 1065877436 /nfs/dbraw/zinc/87/74/36/1065877436.db2.gz NCGREGSRJAMKGG-BDJLRTHQSA-N 0 3 320.845 4.139 20 30 DIEDHN C=C[C@@H](C)NCc1ccc(-c2cccc(Br)c2)o1 ZINC001308328453 1065917010 /nfs/dbraw/zinc/91/70/10/1065917010.db2.gz GFXHUKKBFKZLOY-LLVKDONJSA-N 0 3 306.203 4.373 20 30 DIEDHN C#C[C@H](NCc1sc2c(cccc2Cl)c1C)[C@@H]1CCCO1 ZINC001308378395 1065950756 /nfs/dbraw/zinc/95/07/56/1065950756.db2.gz XFKJEGUMRVVSAG-GJZGRUSLSA-N 0 3 319.857 4.134 20 30 DIEDHN C#CC1(NCc2cccc(OCc3ccccc3F)c2)CCCC1 ZINC001308499291 1066028766 /nfs/dbraw/zinc/02/87/66/1066028766.db2.gz BZAQTFPLMRXTGF-UHFFFAOYSA-N 0 3 323.411 4.440 20 30 DIEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001308500483 1066030364 /nfs/dbraw/zinc/03/03/64/1066030364.db2.gz CLWOFPCIDUHLLM-HNNXBMFYSA-N 0 3 305.805 4.017 20 30 DIEDHN CCc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC001308579622 1066097704 /nfs/dbraw/zinc/09/77/04/1066097704.db2.gz ZNDNRBFWOBTPSH-WOJBJXKFSA-N 0 3 320.436 4.226 20 30 DIEDHN CC(C)CN(CCC#N)C[C@@H](C)c1cccc(Br)c1 ZINC001308649230 1066137093 /nfs/dbraw/zinc/13/70/93/1066137093.db2.gz FVBATSJJYRJGGQ-CQSZACIVSA-N 0 3 323.278 4.424 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC001308650934 1066137898 /nfs/dbraw/zinc/13/78/98/1066137898.db2.gz UYNOVFZVRSJTSD-HUUCEWRRSA-N 0 3 305.849 4.363 20 30 DIEDHN C=CCCCC[C@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703109 1066188529 /nfs/dbraw/zinc/18/85/29/1066188529.db2.gz GQXBHOHENYLGHG-HNAYVOBHSA-N 0 3 315.436 4.373 20 30 DIEDHN C=CCCCCCCNCc1sc(N(C)C)nc1Cl ZINC001308752530 1066225004 /nfs/dbraw/zinc/22/50/04/1066225004.db2.gz ACHBRIPXJJSKAY-UHFFFAOYSA-N 0 3 301.887 4.089 20 30 DIEDHN C#Cc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001308763280 1066236910 /nfs/dbraw/zinc/23/69/10/1066236910.db2.gz NJDOOLQTLZENIE-UHFFFAOYSA-N 0 3 315.338 4.286 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2sccc2Br)C1 ZINC001308855231 1066335788 /nfs/dbraw/zinc/33/57/88/1066335788.db2.gz LVKAALIXSRKMGU-NSHDSACASA-N 0 3 300.265 4.299 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCSC2(CCCCC2)C1 ZINC000442668721 335001656 /nfs/dbraw/zinc/00/16/56/335001656.db2.gz FHBSHQCTRJMJDF-OAHLLOKOSA-N 0 3 300.471 4.371 20 30 DIEDHN C=CCOc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000287638594 335048825 /nfs/dbraw/zinc/04/88/25/335048825.db2.gz UMODYBNTADFHCG-IBGZPJMESA-N 0 3 312.388 4.026 20 30 DIEDHN N#Cc1csc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)n1 ZINC000564537474 335058236 /nfs/dbraw/zinc/05/82/36/335058236.db2.gz VNZFXEKCERWZLY-RCCFBDPRSA-N 0 3 323.465 4.173 20 30 DIEDHN CN(Cc1ccccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273400108 130116974 /nfs/dbraw/zinc/11/69/74/130116974.db2.gz GSNRFUKNSUSZFV-PMACEKPBSA-N 0 3 324.399 4.049 20 30 DIEDHN Cc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c(O)c1C ZINC000273488097 130128313 /nfs/dbraw/zinc/12/83/13/130128313.db2.gz NQUYWMNNPQIABJ-HNNXBMFYSA-N 0 3 306.409 4.221 20 30 DIEDHN CSCc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000275622480 130350538 /nfs/dbraw/zinc/35/05/38/130350538.db2.gz AEYBOVFYNODUGP-ZDUSSCGKSA-N 0 3 314.429 4.411 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038936 131217339 /nfs/dbraw/zinc/21/73/39/131217339.db2.gz KKVXVBHNTHFKBL-LSDHHAIUSA-N 0 3 324.424 4.296 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156992 335069529 /nfs/dbraw/zinc/06/95/29/335069529.db2.gz DAPHYPGJDVTSPU-QZTJIDSGSA-N 0 3 309.384 4.176 20 30 DIEDHN C=CCC[C@H](CCC)N[C@@H](C)c1ncc(Br)cn1 ZINC000570502710 332764960 /nfs/dbraw/zinc/76/49/60/332764960.db2.gz MNJZLAJTOYGRPR-AAEUAGOBSA-N 0 3 312.255 4.025 20 30 DIEDHN CC(C)c1ccc(O[C@H](C)CNCc2cc(C#N)cs2)cc1 ZINC000521305909 331520614 /nfs/dbraw/zinc/52/06/14/331520614.db2.gz CLQGXHUCGVKMBG-CQSZACIVSA-N 0 3 314.454 4.300 20 30 DIEDHN C=CCC(C)(C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000297862208 331608661 /nfs/dbraw/zinc/60/86/61/331608661.db2.gz QLDZDSBJILPWGE-UHFFFAOYSA-N 0 3 300.446 4.132 20 30 DIEDHN COc1ccccc1/C=C\CN[C@@H](CCC#N)c1ccccc1 ZINC000255141488 331716117 /nfs/dbraw/zinc/71/61/17/331716117.db2.gz JERGZFFPINYQMZ-ICEKFOEVSA-N 0 3 306.409 4.343 20 30 DIEDHN C=CCCCC[C@@H](C)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000449114287 331802289 /nfs/dbraw/zinc/80/22/89/331802289.db2.gz ZCPKHKRSKIDCFV-CVEARBPZSA-N 0 3 304.482 4.180 20 30 DIEDHN C=CCC[C@H](NC[C@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257743 331889981 /nfs/dbraw/zinc/88/99/81/331889981.db2.gz NZWXGPUJRQVASR-PBHICJAKSA-N 0 3 319.832 4.306 20 30 DIEDHN CCCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000558507886 331915116 /nfs/dbraw/zinc/91/51/16/331915116.db2.gz RFTAVFBSIPDNMI-OAQYLSRUSA-N 0 3 320.436 4.433 20 30 DIEDHN N#CCSCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000072517965 331930358 /nfs/dbraw/zinc/93/03/58/331930358.db2.gz VKQSEIJMZYZSKY-SFHVURJKSA-N 0 3 314.429 4.152 20 30 DIEDHN CC[C@H](CC#N)N[C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000559054126 331968678 /nfs/dbraw/zinc/96/86/78/331968678.db2.gz KQMGKFFSIMFTCH-HUUCEWRRSA-N 0 3 308.853 4.478 20 30 DIEDHN CN(Cc1csc(Br)c1)CC(C)(C)CCC#N ZINC000092220255 332122387 /nfs/dbraw/zinc/12/23/87/332122387.db2.gz ONRKDLQCRBVHGI-UHFFFAOYSA-N 0 3 315.280 4.272 20 30 DIEDHN CC(C)C1CCC(N2CCN(CC(C)(C)CCC#N)CC2)CC1 ZINC000093811081 332142493 /nfs/dbraw/zinc/14/24/93/332142493.db2.gz RAJDSMLUOYRIJO-UHFFFAOYSA-N 0 3 319.537 4.149 20 30 DIEDHN CN(CCc1c(F)cccc1Cl)Cc1cccc(C#N)c1 ZINC000531104171 332263172 /nfs/dbraw/zinc/26/31/72/332263172.db2.gz MPWLPUXGFWJBPA-UHFFFAOYSA-N 0 3 302.780 4.025 20 30 DIEDHN Cc1ccc2[nH]c(CNC3(c4cccc(C#N)c4)CC3)cc2c1C ZINC000560071635 332308674 /nfs/dbraw/zinc/30/86/74/332308674.db2.gz QXGHPPKJYVDRPY-UHFFFAOYSA-N 0 3 315.420 4.435 20 30 DIEDHN N#Cc1cccc(C2(N[C@@H]3CCc4c3cccc4Cl)CC2)c1 ZINC000560269249 332325684 /nfs/dbraw/zinc/32/56/84/332325684.db2.gz SSIXFXKTBUKUPH-GOSISDBHSA-N 0 3 308.812 4.478 20 30 DIEDHN C=CCC[C@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518606 332349588 /nfs/dbraw/zinc/34/95/88/332349588.db2.gz HMUNYEKFYWNRLH-ROUUACIJSA-N 0 3 316.420 4.319 20 30 DIEDHN C=C(C)[C@H](NCCCOCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000187765696 332351160 /nfs/dbraw/zinc/35/11/60/332351160.db2.gz LKSZQACEZIEVMC-AWEZNQCLSA-N 0 3 323.305 4.141 20 30 DIEDHN C=CCC[C@H](NCCOc1ccc(Cl)cn1)c1ccco1 ZINC000560543703 332355150 /nfs/dbraw/zinc/35/51/50/332355150.db2.gz BIIFZKLRUWDFPK-AWEZNQCLSA-N 0 3 306.793 4.004 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000237718298 332386367 /nfs/dbraw/zinc/38/63/67/332386367.db2.gz IXHSBRCVYYMRES-FQEVSTJZSA-N 0 3 324.399 4.285 20 30 DIEDHN COc1cc(OC)c([C@@H](C)NCC(C)(C)CCC#N)cc1Cl ZINC000562038289 332535512 /nfs/dbraw/zinc/53/55/12/332535512.db2.gz VVTKCKAPTPQSPO-GFCCVEGCSA-N 0 3 324.852 4.338 20 30 DIEDHN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1cscn1 ZINC000565246464 332691309 /nfs/dbraw/zinc/69/13/09/332691309.db2.gz NLZABCMQMYWZBA-NXVRBGIVSA-N 0 3 311.454 4.198 20 30 DIEDHN C=CCC[C@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000569948982 332695907 /nfs/dbraw/zinc/69/59/07/332695907.db2.gz BWPNFNCMACOHLM-ZWKOTPCHSA-N 0 3 316.420 4.319 20 30 DIEDHN CC(C)Oc1cccc([C@@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000179666309 333025829 /nfs/dbraw/zinc/02/58/29/333025829.db2.gz DIPCWTTUTGZKSA-CQSZACIVSA-N 0 3 312.388 4.335 20 30 DIEDHN CCCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768780 333054342 /nfs/dbraw/zinc/05/43/42/333054342.db2.gz RDDNDSDVXNFUFX-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000582129978 333124432 /nfs/dbraw/zinc/12/44/32/333124432.db2.gz LORJKACKWTWAFC-ZIAGYGMSSA-N 0 3 313.832 4.231 20 30 DIEDHN Cc1ccccc1[C@H](NCc1ccc(OCC#N)cc1)C1CC1 ZINC000180165595 333159098 /nfs/dbraw/zinc/15/90/98/333159098.db2.gz SZDHYRXYHCCDQT-HXUWFJFHSA-N 0 3 306.409 4.138 20 30 DIEDHN COc1cc([C@@H](C)NCCCC#N)ccc1OCCC(C)C ZINC000180361735 333161310 /nfs/dbraw/zinc/16/13/10/333161310.db2.gz UJPCPFVTQHUJRI-OAHLLOKOSA-N 0 3 304.434 4.074 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000180446979 333161790 /nfs/dbraw/zinc/16/17/90/333161790.db2.gz KFPKHGUGCODMPV-AWEZNQCLSA-N 0 3 323.396 4.247 20 30 DIEDHN Cc1cc(C)c([C@@H](C)NCc2ccc(OCC#N)cc2)cc1C ZINC000180552602 333163225 /nfs/dbraw/zinc/16/32/25/333163225.db2.gz ZBPNJUUSICPSSF-QGZVFWFLSA-N 0 3 308.425 4.365 20 30 DIEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1cc(C)ccc1OC ZINC000180552418 333163234 /nfs/dbraw/zinc/16/32/34/333163234.db2.gz NUBSXAYHMMFUDD-LJQANCHMSA-N 0 3 324.424 4.147 20 30 DIEDHN N#CCCCCN1CCC(c2ccccc2Br)CC1 ZINC000189812958 333263444 /nfs/dbraw/zinc/26/34/44/333263444.db2.gz YIELBKVOONQDBJ-UHFFFAOYSA-N 0 3 321.262 4.322 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000320719342 335130371 /nfs/dbraw/zinc/13/03/71/335130371.db2.gz AJRJPLWSARVGOT-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN CCN(CCOc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593798 333267391 /nfs/dbraw/zinc/26/73/91/333267391.db2.gz JUAIIUUFMYIIPL-KRWDZBQOSA-N 0 3 308.425 4.329 20 30 DIEDHN CCN(CCOc1ccccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000497612103 333269754 /nfs/dbraw/zinc/26/97/54/333269754.db2.gz QJBSFQPGFUMXHT-MRXNPFEDSA-N 0 3 324.424 4.029 20 30 DIEDHN CCCNc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000193358348 333302417 /nfs/dbraw/zinc/30/24/17/333302417.db2.gz UMKXJEZZBXSFAL-MRXNPFEDSA-N 0 3 323.440 4.262 20 30 DIEDHN CCO[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425302 333303173 /nfs/dbraw/zinc/30/31/73/333303173.db2.gz ZATZZAZVDZPZHQ-UZLBHIALSA-N 0 3 324.424 4.017 20 30 DIEDHN C=CCN1CCC(N[C@@H](CC)c2cccc(Cl)c2F)CC1 ZINC000161674831 333375388 /nfs/dbraw/zinc/37/53/88/333375388.db2.gz XVZJAPGUJRREPC-INIZCTEOSA-N 0 3 310.844 4.170 20 30 DIEDHN C=CCSCCN[C@@H](C)c1cc(Br)ccc1F ZINC000221940954 333383034 /nfs/dbraw/zinc/38/30/34/333383034.db2.gz DQDZEQKPQMWCJW-JTQLQIEISA-N 0 3 318.255 4.158 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613357 333497234 /nfs/dbraw/zinc/49/72/34/333497234.db2.gz PWDDWWSLNXQIEO-LIRRHRJNSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 ZINC000338954007 333503229 /nfs/dbraw/zinc/50/32/29/333503229.db2.gz VISIBTOYQFCOOX-MRXNPFEDSA-N 0 3 319.408 4.092 20 30 DIEDHN CCC1(c2ccc(Cl)cc2)CCN(CCOCCC#N)CC1 ZINC000339140716 333509112 /nfs/dbraw/zinc/50/91/12/333509112.db2.gz MNQJVHFLENFHNN-UHFFFAOYSA-N 0 3 320.864 4.014 20 30 DIEDHN COc1cc([C@@H](C)N[C@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444570 333673386 /nfs/dbraw/zinc/67/33/86/333673386.db2.gz FCEOIDPDOMYPQI-HUUCEWRRSA-N 0 3 316.445 4.359 20 30 DIEDHN COc1cc([C@H](C)N[C@@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444569 333673619 /nfs/dbraw/zinc/67/36/19/333673619.db2.gz FCEOIDPDOMYPQI-GJZGRUSLSA-N 0 3 316.445 4.359 20 30 DIEDHN CC(=O)Nc1cccc([C@H](C)NCCC2(C#N)CCCCC2)c1 ZINC000411451691 333675926 /nfs/dbraw/zinc/67/59/26/333675926.db2.gz VTVGZFARIGREPL-HNNXBMFYSA-N 0 3 313.445 4.160 20 30 DIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cccc(-n2cccn2)c1 ZINC000411465879 333677242 /nfs/dbraw/zinc/67/72/42/333677242.db2.gz YKYNYEVLQLSXPH-KRWDZBQOSA-N 0 3 322.456 4.387 20 30 DIEDHN C[C@@H](NCCC1(C#N)CCCCC1)[C@@H]1OCCc2sccc21 ZINC000411754309 333706169 /nfs/dbraw/zinc/70/61/69/333706169.db2.gz DWSZMPNNLFEJTA-PBHICJAKSA-N 0 3 318.486 4.204 20 30 DIEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCC(C)(C)CC#N ZINC000414171500 333907745 /nfs/dbraw/zinc/90/77/45/333907745.db2.gz VACDZXSDQXUGMQ-GFCCVEGCSA-N 0 3 314.458 4.104 20 30 DIEDHN N#CCOc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000264585945 333958470 /nfs/dbraw/zinc/95/84/70/333958470.db2.gz XFXLZTIJRZFBJW-FQEVSTJZSA-N 0 3 324.399 4.359 20 30 DIEDHN CC(C)(CCC#N)CNCc1nc2cc(Cl)ccc2s1 ZINC000266184389 333972101 /nfs/dbraw/zinc/97/21/01/333972101.db2.gz GTYISQWVRHAKLG-UHFFFAOYSA-N 0 3 307.850 4.369 20 30 DIEDHN CCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000266499238 333974090 /nfs/dbraw/zinc/97/40/90/333974090.db2.gz BCTWBXKKEOMDJH-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN C[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C[C@H](c2ccccc2)C1 ZINC000414508999 334001791 /nfs/dbraw/zinc/00/17/91/334001791.db2.gz DPZNVGHWSYWBRB-NUEKZKHPSA-N 0 3 311.454 4.077 20 30 DIEDHN C[C@@H]1C[C@H](NCc2nc(C#N)cs2)C[C@@H](c2ccccc2)C1 ZINC000414508988 334001839 /nfs/dbraw/zinc/00/18/39/334001839.db2.gz DPZNVGHWSYWBRB-BPUTZDHNSA-N 0 3 311.454 4.077 20 30 DIEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1OC(F)F ZINC000582140571 334005913 /nfs/dbraw/zinc/00/59/13/334005913.db2.gz YCKMKKQVCSDDSU-LLVKDONJSA-N 0 3 314.351 4.408 20 30 DIEDHN CCOc1ccccc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271523513 334024399 /nfs/dbraw/zinc/02/43/99/334024399.db2.gz VFEKUBBEOPDPSF-CVEARBPZSA-N 0 3 324.424 4.399 20 30 DIEDHN C#CC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000271710326 334025874 /nfs/dbraw/zinc/02/58/74/334025874.db2.gz OFVBHKFXMKKSLU-FQEVSTJZSA-N 0 3 302.421 4.342 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1F ZINC000437082623 334026037 /nfs/dbraw/zinc/02/60/37/334026037.db2.gz CWEPEEVMBIRGOP-YGRLFVJLSA-N 0 3 302.315 4.325 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(OCc2ccccn2)c1 ZINC000271986657 334029475 /nfs/dbraw/zinc/02/94/75/334029475.db2.gz CPSVIOAZFINDIA-MRXNPFEDSA-N 0 3 323.440 4.251 20 30 DIEDHN COc1ccc(OC)c([C@@H](C)NCCCCC(C)(C)C#N)c1 ZINC000277890767 334091791 /nfs/dbraw/zinc/09/17/91/334091791.db2.gz ZWGASKVNKCZBSF-CQSZACIVSA-N 0 3 304.434 4.074 20 30 DIEDHN COC[C@H](NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278839928 334102000 /nfs/dbraw/zinc/10/20/00/334102000.db2.gz KROISGARJIUJMJ-INIZCTEOSA-N 0 3 308.853 4.337 20 30 DIEDHN CC[C@H](NCc1ccc(OC)c(Cl)c1)c1ccc(C#N)cc1 ZINC000278881940 334102641 /nfs/dbraw/zinc/10/26/41/334102641.db2.gz XZFVUTBWHUXXQN-KRWDZBQOSA-N 0 3 314.816 4.461 20 30 DIEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1OCC(C)C ZINC000281878245 334129251 /nfs/dbraw/zinc/12/92/51/334129251.db2.gz FXDVBOAHXLWCBZ-YQQAZPJKSA-N 0 3 316.445 4.073 20 30 DIEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957301 334129919 /nfs/dbraw/zinc/12/99/19/334129919.db2.gz MOWIDRVHLBPQID-JZXOWHBKSA-N 0 3 321.424 4.003 20 30 DIEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1Cl ZINC000282023826 334130604 /nfs/dbraw/zinc/13/06/04/334130604.db2.gz PJYSKCSKBRQODD-ZDUSSCGKSA-N 0 3 324.827 4.230 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827706 334193041 /nfs/dbraw/zinc/19/30/41/334193041.db2.gz ONQVFEZDTCPABT-XJKSGUPXSA-N 0 3 309.388 4.088 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000293758813 334202028 /nfs/dbraw/zinc/20/20/28/334202028.db2.gz JSQIHPMYIORQBW-OWCLPIDISA-N 0 3 318.848 4.123 20 30 DIEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1ccc(C#N)s1 ZINC000295058462 334216541 /nfs/dbraw/zinc/21/65/41/334216541.db2.gz GJGYMBFMNXGAIJ-AXFHLTTASA-N 0 3 302.365 4.171 20 30 DIEDHN COc1cc([C@@H](C)N[C@H](C)CCC#N)ccc1OCC(C)C ZINC000299519803 334255962 /nfs/dbraw/zinc/25/59/62/334255962.db2.gz CVYABYQUVPJVHF-HUUCEWRRSA-N 0 3 304.434 4.073 20 30 DIEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646144 334256940 /nfs/dbraw/zinc/25/69/40/334256940.db2.gz KRIJBRCGXZVCRM-HOTGVXAUSA-N 0 3 321.424 4.282 20 30 DIEDHN C=CC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000111256313 334314295 /nfs/dbraw/zinc/31/42/95/334314295.db2.gz KTBXSXUPDACPPW-UHFFFAOYSA-N 0 3 308.425 4.059 20 30 DIEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000303809323 334328039 /nfs/dbraw/zinc/32/80/39/334328039.db2.gz YOXMEDPHJQNQFN-NVXWUHKLSA-N 0 3 308.400 4.384 20 30 DIEDHN C[C@@H](c1cccs1)N(C)CCCOc1cccc(C#N)c1 ZINC000049726763 334356898 /nfs/dbraw/zinc/35/68/98/334356898.db2.gz WJQPVPGRPHSPPN-AWEZNQCLSA-N 0 3 300.427 4.082 20 30 DIEDHN C=CCCOCCN[C@H]1CCCc2c(Br)cccc21 ZINC000341484636 334446953 /nfs/dbraw/zinc/44/69/53/334446953.db2.gz IHOURGRKPJLZEM-INIZCTEOSA-N 0 3 324.262 4.009 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682976 334469883 /nfs/dbraw/zinc/46/98/83/334469883.db2.gz KLXBRULJBXSZSJ-YJYMSZOUSA-N 0 3 324.399 4.434 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712401 334472858 /nfs/dbraw/zinc/47/28/58/334472858.db2.gz XASVZBAFAKXCFV-VLIAUNLRSA-N 0 3 301.393 4.158 20 30 DIEDHN C=CC[C@H](CO)CN[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877112 334488811 /nfs/dbraw/zinc/48/88/11/334488811.db2.gz LFOFWYICVJMAPY-ONGXEEELSA-N 0 3 320.285 4.207 20 30 DIEDHN C=CCC[C@@H](NCc1c(C)nc2ccccn21)c1ccccc1 ZINC000341935448 334494033 /nfs/dbraw/zinc/49/40/33/334494033.db2.gz ZOXMWGXDCJDFQI-GOSISDBHSA-N 0 3 305.425 4.440 20 30 DIEDHN C=CCC[C@@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341941928 334494755 /nfs/dbraw/zinc/49/47/55/334494755.db2.gz INOZAVBQIFWXSN-ZIFCJYIRSA-N 0 3 314.473 4.073 20 30 DIEDHN C=CCC[C@@H](NCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000342190838 334516036 /nfs/dbraw/zinc/51/60/36/334516036.db2.gz JCNKCZFWFUZUSP-MRXNPFEDSA-N 0 3 323.362 4.236 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363463 334744352 /nfs/dbraw/zinc/74/43/52/334744352.db2.gz KQNFPMJBWJSAEG-SZNDQCEHSA-N 0 3 318.420 4.317 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1cncc(F)c1)C1CC1 ZINC000417366865 334748216 /nfs/dbraw/zinc/74/82/16/334748216.db2.gz NXGONFFRPCATFQ-PMACEKPBSA-N 0 3 321.399 4.211 20 30 DIEDHN COc1ccc2ccccc2c1CNCc1ccc(C#N)c(C)c1 ZINC000443991379 338465728 /nfs/dbraw/zinc/46/57/28/338465728.db2.gz VUEGMELIXBOAEQ-UHFFFAOYSA-N 0 3 316.404 4.318 20 30 DIEDHN Cc1cc(CNC[C@@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000444001269 338466563 /nfs/dbraw/zinc/46/65/63/338466563.db2.gz AZYNJALVPJPPCR-KRWDZBQOSA-N 0 3 318.342 4.302 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343674075 335187319 /nfs/dbraw/zinc/18/73/19/335187319.db2.gz AGSWSAZVHHZAFC-HNNXBMFYSA-N 0 3 324.424 4.011 20 30 DIEDHN N#CCc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000343697305 335188705 /nfs/dbraw/zinc/18/87/05/335188705.db2.gz RWQGVOJFBWTAJJ-PZJWPPBQSA-N 0 3 320.436 4.010 20 30 DIEDHN C=C(CNCc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000343757510 335191008 /nfs/dbraw/zinc/19/10/08/335191008.db2.gz GDJHGSCPOBKOLH-UHFFFAOYSA-N 0 3 307.422 4.008 20 30 DIEDHN CCOc1ccccc1[C@H](CC)NCc1ccc(CC#N)cc1 ZINC000343764129 335191238 /nfs/dbraw/zinc/19/12/38/335191238.db2.gz WQIVENFZAHLESJ-IBGZPJMESA-N 0 3 308.425 4.392 20 30 DIEDHN N#CC(C(=O)c1cccc2ccsc21)c1nc2ccccc2[nH]1 ZINC000343943756 335203571 /nfs/dbraw/zinc/20/35/71/335203571.db2.gz IZYYWJMQYYVQPJ-ZDUSSCGKSA-N 0 3 317.373 4.268 20 30 DIEDHN CC(C)(CCC#N)CN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000348225536 335563294 /nfs/dbraw/zinc/56/32/94/335563294.db2.gz AWRYXMBJIHBQQV-SFHVURJKSA-N 0 3 311.404 4.230 20 30 DIEDHN COCCCC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000348328672 335578079 /nfs/dbraw/zinc/57/80/79/335578079.db2.gz VHOYOXWGSZOTMX-FQEVSTJZSA-N 0 3 308.425 4.206 20 30 DIEDHN C[C@@H](c1ccccc1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000350721149 335776071 /nfs/dbraw/zinc/77/60/71/335776071.db2.gz RWCXCQWTPGJCPG-INIZCTEOSA-N 0 3 306.409 4.163 20 30 DIEDHN N#CC(C(=O)c1cc[nH]c1C1CCC1)c1nccc2ccccc21 ZINC000584355150 336077532 /nfs/dbraw/zinc/07/75/32/336077532.db2.gz MGGZHECIQRJUTA-KRWDZBQOSA-N 0 3 315.376 4.320 20 30 DIEDHN C[C@@H](C1CCCCC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332386647 336170665 /nfs/dbraw/zinc/17/06/65/336170665.db2.gz YFKMUURLQOAMAN-AWEZNQCLSA-N 0 3 324.428 4.009 20 30 DIEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC(C)(C)CC1 ZINC000332709237 336179696 /nfs/dbraw/zinc/17/96/96/336179696.db2.gz XTWMAIKIIVPFLN-UHFFFAOYSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000352249917 336206814 /nfs/dbraw/zinc/20/68/14/336206814.db2.gz ANYSXEWLEDXXHB-SFHVURJKSA-N 0 3 324.424 4.125 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ccccn1 ZINC000532623485 336257658 /nfs/dbraw/zinc/25/76/58/336257658.db2.gz CLDDZEASUXBUHQ-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988730 336286576 /nfs/dbraw/zinc/28/65/76/336286576.db2.gz USVSSVCNUYAUNQ-VLIAUNLRSA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301323075 336300505 /nfs/dbraw/zinc/30/05/05/336300505.db2.gz VFXKCIBGGMJMPF-OAHLLOKOSA-N 0 3 323.415 4.335 20 30 DIEDHN Cc1ccccc1CN1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000301334225 336301217 /nfs/dbraw/zinc/30/12/17/336301217.db2.gz CFKIQTIVLICVBZ-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN N#Cc1cc(F)ccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000301495239 336310179 /nfs/dbraw/zinc/31/01/79/336310179.db2.gz APTCGUJERINPPR-MRXNPFEDSA-N 0 3 315.417 4.008 20 30 DIEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142315 336375072 /nfs/dbraw/zinc/37/50/72/336375072.db2.gz QKIHZJCPPZMJPX-SCLBCKFNSA-N 0 3 314.816 4.250 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000193093635 336397027 /nfs/dbraw/zinc/39/70/27/336397027.db2.gz OUGAYEQYTZOWFA-SWLSCSKDSA-N 0 3 319.246 4.110 20 30 DIEDHN CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410635 336416068 /nfs/dbraw/zinc/41/60/68/336416068.db2.gz IJRRJVJRDVLMIV-WOJBJXKFSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1F ZINC000353916941 336448092 /nfs/dbraw/zinc/44/80/92/336448092.db2.gz SATRUGXEFRNELU-SFHVURJKSA-N 0 3 312.388 4.359 20 30 DIEDHN CC(=O)Nc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353918577 336448209 /nfs/dbraw/zinc/44/82/09/336448209.db2.gz YRAXAGQTGKIFNE-FQEVSTJZSA-N 0 3 321.424 4.170 20 30 DIEDHN CC1(C)C[C@H](NCCCC#N)c2cc(Br)ccc21 ZINC000358995542 336651922 /nfs/dbraw/zinc/65/19/22/336651922.db2.gz ZPJPDVCZHADXBA-AWEZNQCLSA-N 0 3 307.235 4.065 20 30 DIEDHN Cc1nc(C)c(CN[C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360656564 336717812 /nfs/dbraw/zinc/71/78/12/336717812.db2.gz IWHOTSAQMSKNAF-KRWDZBQOSA-N 0 3 311.454 4.189 20 30 DIEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000360873538 336725073 /nfs/dbraw/zinc/72/50/73/336725073.db2.gz QSTCQCOVJICLLO-DJJJIMSYSA-N 0 3 309.388 4.211 20 30 DIEDHN CC(C)(C#N)CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000389753968 336890365 /nfs/dbraw/zinc/89/03/65/336890365.db2.gz QQTIEKHJGKFKLO-UHFFFAOYSA-N 0 3 319.880 4.182 20 30 DIEDHN C=CCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418150083 336898102 /nfs/dbraw/zinc/89/81/02/336898102.db2.gz VWKRGQKWEOJGEA-NRFANRHFSA-N 0 3 318.420 4.290 20 30 DIEDHN C[C@H](NCc1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374695670 336995127 /nfs/dbraw/zinc/99/51/27/336995127.db2.gz UMPXLDGHWYLQQT-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178175 337029058 /nfs/dbraw/zinc/02/90/58/337029058.db2.gz OJYCFSKEFNKVQW-HRAATJIYSA-N 0 3 320.436 4.377 20 30 DIEDHN C=CCSCCN[C@H](C)c1cc(Br)cs1 ZINC000194091275 337081663 /nfs/dbraw/zinc/08/16/63/337081663.db2.gz ZHLOUMDXANYFJR-SECBINFHSA-N 0 3 306.294 4.080 20 30 DIEDHN C[C@H](NCc1cccc(-c2ccccn2)c1)c1ccc(C#N)cc1 ZINC000178554242 337163577 /nfs/dbraw/zinc/16/35/77/337163577.db2.gz KGBULNBBKGTJBE-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCOc1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000582987198 337222964 /nfs/dbraw/zinc/22/29/64/337222964.db2.gz MZTIZDUGVVSLPT-NHCUHLMSSA-N 0 3 323.436 4.261 20 30 DIEDHN C=C(C)[C@H](NCCCCn1ccnc1C)c1ccc(F)c(F)c1 ZINC000187759059 337268052 /nfs/dbraw/zinc/26/80/52/337268052.db2.gz RBYIDCBMHOBINA-SFHVURJKSA-N 0 3 319.399 4.157 20 30 DIEDHN Cc1ccc(C)c(Oc2ccc(CN[C@H]3CC[C@@H](C#N)C3)cn2)c1 ZINC000583242275 337285696 /nfs/dbraw/zinc/28/56/96/337285696.db2.gz YNQMCLJVNWECOW-AEFFLSMTSA-N 0 3 321.424 4.273 20 30 DIEDHN Cc1ccc(C)c(Oc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cn2)c1 ZINC000583242276 337285786 /nfs/dbraw/zinc/28/57/86/337285786.db2.gz YNQMCLJVNWECOW-FUHWJXTLSA-N 0 3 321.424 4.273 20 30 DIEDHN Cn1cc(CN[C@@H](CC2CCCC2)c2ccccc2)cc1C#N ZINC000191467817 337297283 /nfs/dbraw/zinc/29/72/83/337297283.db2.gz ORVLFEQLZGEZPC-FQEVSTJZSA-N 0 3 307.441 4.308 20 30 DIEDHN CC[C@@H](c1ccncc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000583839258 337340761 /nfs/dbraw/zinc/34/07/61/337340761.db2.gz ASWYLNMJXLDQAC-FQEVSTJZSA-N 0 3 323.440 4.347 20 30 DIEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1C(F)(F)F ZINC000584501595 337350536 /nfs/dbraw/zinc/35/05/36/337350536.db2.gz KJLOBLFSZFVQLN-NSHDSACASA-N 0 3 324.268 4.398 20 30 DIEDHN COc1cc(CN[C@H]2C[C@H](C)c3c2cccc3C)ccc1C#N ZINC000583901445 337384840 /nfs/dbraw/zinc/38/48/40/337384840.db2.gz CNKPUYPCWXASKP-KSSFIOAISA-N 0 3 306.409 4.213 20 30 DIEDHN CC[C@H]1CCCC[C@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903759 337396154 /nfs/dbraw/zinc/39/61/54/337396154.db2.gz CZFUPAPNCBDTNI-DOTOQJQBSA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)s1)c1cc2c(s1)CCCC2 ZINC000421866233 337656710 /nfs/dbraw/zinc/65/67/10/337656710.db2.gz BACRIGKXHKCQJM-LLVKDONJSA-N 0 3 302.468 4.411 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340639 337712805 /nfs/dbraw/zinc/71/28/05/337712805.db2.gz BZFSSYBNIGXAHQ-BLVKFPJESA-N 0 3 309.388 4.008 20 30 DIEDHN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428215 337717161 /nfs/dbraw/zinc/71/71/61/337717161.db2.gz GFSHXIGRIJYOOO-UGSOOPFHSA-N 0 3 321.424 4.093 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccn1)C1CCC1)CC2 ZINC000527962522 337780473 /nfs/dbraw/zinc/78/04/73/337780473.db2.gz FYHOFPTWDVMDAF-QUCCMNQESA-N 0 3 303.409 4.072 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2c(OC(F)F)ccc3ccccc32)C1 ZINC000424201356 337808793 /nfs/dbraw/zinc/80/87/93/337808793.db2.gz RULTXUSKYZMFSS-GXTWGEPZSA-N 0 3 316.351 4.223 20 30 DIEDHN CC(C)COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000106466456 337819037 /nfs/dbraw/zinc/81/90/37/337819037.db2.gz UEYYGISWPIDGAP-MRXNPFEDSA-N 0 3 308.425 4.444 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000118400120 337850441 /nfs/dbraw/zinc/85/04/41/337850441.db2.gz KGSDOMGMCWDFJR-OAHLLOKOSA-N 0 3 324.399 4.302 20 30 DIEDHN C=C(C)COCCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000537013560 337865151 /nfs/dbraw/zinc/86/51/51/337865151.db2.gz JIQGHYKFYGEAPI-MRXNPFEDSA-N 0 3 324.262 4.083 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000121438205 337893002 /nfs/dbraw/zinc/89/30/02/337893002.db2.gz TUXDOYGMELQBCC-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000428977479 338067380 /nfs/dbraw/zinc/06/73/80/338067380.db2.gz IVGWTIQJIKNGDX-BETUJISGSA-N 0 3 314.326 4.250 20 30 DIEDHN N#CCC1(CNCc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000430033519 338093971 /nfs/dbraw/zinc/09/39/71/338093971.db2.gz GUALOODTBDTOQW-UHFFFAOYSA-N 0 3 316.351 4.225 20 30 DIEDHN Cc1cc(F)ccc1C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000430084381 338095248 /nfs/dbraw/zinc/09/52/48/338095248.db2.gz KLSNURJDZGVIOO-UHFFFAOYSA-N 0 3 314.429 4.447 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC1(CC#N)CC1 ZINC000430740824 338112878 /nfs/dbraw/zinc/11/28/78/338112878.db2.gz KZWMNYUKGULBCH-ZDUSSCGKSA-N 0 3 311.454 4.463 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430740823 338112951 /nfs/dbraw/zinc/11/29/51/338112951.db2.gz KZWMNYUKGULBCH-CYBMUJFWSA-N 0 3 311.454 4.463 20 30 DIEDHN CCCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1OC ZINC000430747067 338113399 /nfs/dbraw/zinc/11/33/99/338113399.db2.gz KLWWDHWMDKPHRF-OAHLLOKOSA-N 0 3 316.445 4.219 20 30 DIEDHN COc1ccc([C@@H](CCC(C)C)NCC2(CC#N)CC2)cc1 ZINC000430755331 338113870 /nfs/dbraw/zinc/11/38/70/338113870.db2.gz PQHVBNBMIPVEHU-GOSISDBHSA-N 0 3 300.446 4.456 20 30 DIEDHN COc1c(C)cnc(CN[C@@H](CCCC#N)c2ccccc2)c1C ZINC000433008925 338175976 /nfs/dbraw/zinc/17/59/76/338175976.db2.gz FRJMHIWZZDCIHM-SFHVURJKSA-N 0 3 323.440 4.232 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433020635 338176625 /nfs/dbraw/zinc/17/66/25/338176625.db2.gz SWAKMTYPLACLDM-LJQANCHMSA-N 0 3 319.408 4.092 20 30 DIEDHN N#CCCC[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000433026065 338176977 /nfs/dbraw/zinc/17/69/77/338176977.db2.gz OAOQDOBLDTZCEW-FQEVSTJZSA-N 0 3 303.409 4.277 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433026612 338177026 /nfs/dbraw/zinc/17/70/26/338177026.db2.gz GTMUGXRAKIJPTM-LJQANCHMSA-N 0 3 319.408 4.092 20 30 DIEDHN CN(CCSCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000433037229 338177628 /nfs/dbraw/zinc/17/76/28/338177628.db2.gz DNKMZLKLCZTRND-UHFFFAOYSA-N 0 3 314.429 4.063 20 30 DIEDHN CCCN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433219851 338186311 /nfs/dbraw/zinc/18/63/11/338186311.db2.gz KOSQSDLBBCZNDA-FQEVSTJZSA-N 0 3 320.436 4.198 20 30 DIEDHN CC(C)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433221347 338186403 /nfs/dbraw/zinc/18/64/03/338186403.db2.gz PHCRQKNCKHVXMF-WOJBJXKFSA-N 0 3 320.436 4.272 20 30 DIEDHN CC(C)N(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433227356 338186652 /nfs/dbraw/zinc/18/66/52/338186652.db2.gz REQFZNUVQHFOBL-HXUWFJFHSA-N 0 3 320.436 4.196 20 30 DIEDHN C[C@@H](c1cccs1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433296984 338189848 /nfs/dbraw/zinc/18/98/48/338189848.db2.gz JZKXDLBTCPAADZ-HOCLYGCPSA-N 0 3 312.438 4.040 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000433303773 338190605 /nfs/dbraw/zinc/19/06/05/338190605.db2.gz LSYUTOGZHJHHFQ-WOJBJXKFSA-N 0 3 324.468 4.330 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000433303772 338190639 /nfs/dbraw/zinc/19/06/39/338190639.db2.gz LSYUTOGZHJHHFQ-VQTJNVASSA-N 0 3 324.468 4.330 20 30 DIEDHN N#CCc1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308303 338190976 /nfs/dbraw/zinc/19/09/76/338190976.db2.gz XTJQXKASSPACEW-SFHVURJKSA-N 0 3 310.828 4.396 20 30 DIEDHN CCN(Cc1ccc(-c2cc[nH]n2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000435126620 338232711 /nfs/dbraw/zinc/23/27/11/338232711.db2.gz OTGXCJJOYYCBLI-AWEZNQCLSA-N 0 3 320.396 4.124 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(Cl)c1Cl ZINC000435731460 338246655 /nfs/dbraw/zinc/24/66/55/338246655.db2.gz LSMVBNIBWKQIHG-DOMZBBRYSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000435733947 338246773 /nfs/dbraw/zinc/24/67/73/338246773.db2.gz VUGMCPQSBOWYEQ-BEFAXECRSA-N 0 3 313.397 4.143 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(Cl)ccc1Cl ZINC000435739332 338247272 /nfs/dbraw/zinc/24/72/72/338247272.db2.gz WYTMPCGGYOIAAK-NHYWBVRUSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(Cl)c1Cl ZINC000435745099 338247575 /nfs/dbraw/zinc/24/75/75/338247575.db2.gz JLQHFPWRQSJQEO-CABZTGNLSA-N 0 3 306.258 4.126 20 30 DIEDHN C[C@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000436313428 338268733 /nfs/dbraw/zinc/26/87/33/338268733.db2.gz WYFZIFIIWHBRPG-NUTKFTJISA-N 0 3 312.363 4.433 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000437082620 338299926 /nfs/dbraw/zinc/29/99/26/338299926.db2.gz CWEPEEVMBIRGOP-HZMBPMFUSA-N 0 3 302.315 4.325 20 30 DIEDHN Cc1cc(C)nc(NCc2cccn2Cc2ccccc2C#N)c1 ZINC000437792114 338321755 /nfs/dbraw/zinc/32/17/55/338321755.db2.gz JUMJMDNKHFJUDD-UHFFFAOYSA-N 0 3 316.408 4.032 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1Cl ZINC000439439864 338369498 /nfs/dbraw/zinc/36/94/98/338369498.db2.gz NAXXUTCUBKWSQR-CYBMUJFWSA-N 0 3 304.743 4.278 20 30 DIEDHN CSc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000439479452 338371040 /nfs/dbraw/zinc/37/10/40/338371040.db2.gz SGBOISDMLDKRIP-CQSZACIVSA-N 0 3 312.438 4.010 20 30 DIEDHN CSc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000439494297 338371830 /nfs/dbraw/zinc/37/18/30/338371830.db2.gz OPVOJHUEQQGHHQ-CQSZACIVSA-N 0 3 312.438 4.010 20 30 DIEDHN CSc1ccccc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000440611592 338392382 /nfs/dbraw/zinc/39/23/82/338392382.db2.gz LOPQCZRRPGDHRW-AWEZNQCLSA-N 0 3 312.438 4.010 20 30 DIEDHN CSc1ccccc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000440616747 338392719 /nfs/dbraw/zinc/39/27/19/338392719.db2.gz RXEJRYJBUIZIHF-AWEZNQCLSA-N 0 3 312.438 4.010 20 30 DIEDHN COc1cc(CN[C@@H]2CCc3ccc(C(C)C)cc32)ccc1C#N ZINC000440622910 338392902 /nfs/dbraw/zinc/39/29/02/338392902.db2.gz FRJAWBIZNKKCGB-HXUWFJFHSA-N 0 3 320.436 4.467 20 30 DIEDHN CCc1ccc(C(C)(C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000440629709 338393129 /nfs/dbraw/zinc/39/31/29/338393129.db2.gz URNFOZNBRCVFBA-UHFFFAOYSA-N 0 3 308.425 4.154 20 30 DIEDHN COc1cc(CN[C@@H]2c3ccccc3CCC[C@H]2C)ccc1C#N ZINC000440633444 338393338 /nfs/dbraw/zinc/39/33/38/338393338.db2.gz DZAFEVKIDWSWIT-VFNWGFHPSA-N 0 3 320.436 4.370 20 30 DIEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770627 338430178 /nfs/dbraw/zinc/43/01/78/338430178.db2.gz RTRYNLLFBBTIGX-FUHWJXTLSA-N 0 3 300.446 4.202 20 30 DIEDHN COc1ccc(-c2ccc(CN[C@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442870267 338436701 /nfs/dbraw/zinc/43/67/01/338436701.db2.gz UWJPAEIGSRFANQ-LPHOPBHVSA-N 0 3 306.409 4.144 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873016 338437014 /nfs/dbraw/zinc/43/70/14/338437014.db2.gz OKYMXMMGVDMVDY-IUODEOHRSA-N 0 3 308.347 4.366 20 30 DIEDHN CCCCn1cc(CN[C@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447576335 338558220 /nfs/dbraw/zinc/55/82/20/338558220.db2.gz XXRSSRHLSXMPJY-LJQANCHMSA-N 0 3 310.445 4.104 20 30 DIEDHN CC(C)Oc1ccc([C@@H]2CCC[C@H]2NCC2(C#N)CCC2)cc1 ZINC000450818669 338706955 /nfs/dbraw/zinc/70/69/55/338706955.db2.gz JAWUCDHSOGFCHT-RBUKOAKNSA-N 0 3 312.457 4.393 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453345751 338828600 /nfs/dbraw/zinc/82/86/00/338828600.db2.gz KDIGWKIUXLKGIV-BEVDRBHNSA-N 0 3 324.424 4.258 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453362816 338831936 /nfs/dbraw/zinc/83/19/36/338831936.db2.gz PPVAFRBNMCEKBO-YVLXSGLVSA-N 0 3 320.483 4.174 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000453380226 338834982 /nfs/dbraw/zinc/83/49/82/338834982.db2.gz ZPTFXTZKVHDCMI-XKQJLSEDSA-N 0 3 315.413 4.134 20 30 DIEDHN C=C[C@H](CC(=O)Nc1ccc(CN(C)C)c(C)c1)c1ccccc1 ZINC000458298660 338995188 /nfs/dbraw/zinc/99/51/88/338995188.db2.gz ZQJGVCGZNACVAM-QGZVFWFLSA-N 0 3 322.452 4.355 20 30 DIEDHN C=C(CNCc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000462763066 339087379 /nfs/dbraw/zinc/08/73/79/339087379.db2.gz CTWSBKZMKGOPJH-UHFFFAOYSA-N 0 3 321.342 4.431 20 30 DIEDHN Cc1ccc([C@@H](CNc2ccc(F)cc2C#N)N2CCCC2)cc1 ZINC000462800928 339089705 /nfs/dbraw/zinc/08/97/05/339089705.db2.gz GZYZRSXPXRVOTC-HXUWFJFHSA-N 0 3 323.415 4.255 20 30 DIEDHN C[C@H](N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000462845990 339093963 /nfs/dbraw/zinc/09/39/63/339093963.db2.gz SHWXBZUYBDFLDB-JNAXZKDPSA-N 0 3 324.399 4.268 20 30 DIEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233378 339110707 /nfs/dbraw/zinc/11/07/07/339110707.db2.gz NHNJTPPUYVSHSP-NVXWUHKLSA-N 0 3 300.446 4.344 20 30 DIEDHN COCCSc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463282582 339113341 /nfs/dbraw/zinc/11/33/41/339113341.db2.gz LBFRZCNADDUIQS-ZOBUZTSGSA-N 0 3 318.486 4.158 20 30 DIEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436870 339117634 /nfs/dbraw/zinc/11/76/34/339117634.db2.gz CFPCGCBBXGTJJV-HIFRSBDPSA-N 0 3 314.326 4.250 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCOc2ccc(C#N)cc2)C1 ZINC000464743602 339150603 /nfs/dbraw/zinc/15/06/03/339150603.db2.gz ZJPXLBULRZZGPX-QRWLVFNGSA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@@H]1C[C@H](c2ccccc2F)N(CCOc2ccc(C#N)cc2)C1 ZINC000464743600 339150641 /nfs/dbraw/zinc/15/06/41/339150641.db2.gz ZJPXLBULRZZGPX-FOIQADDNSA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@H]1CCN(CCOc2ccccc2C#N)[C@@H](c2ccco2)C1 ZINC000464852782 339157855 /nfs/dbraw/zinc/15/78/55/339157855.db2.gz CDWRZERSECOBRZ-DOTOQJQBSA-N 0 3 310.397 4.003 20 30 DIEDHN C=CC[C@H](CC)NCc1csc(COc2ccc(C)cc2)n1 ZINC000466398649 339202507 /nfs/dbraw/zinc/20/25/07/339202507.db2.gz JBFVEDJSURIFER-HNNXBMFYSA-N 0 3 316.470 4.475 20 30 DIEDHN N#Cc1cccc(CCNCc2cccc(Cl)c2Cl)c1 ZINC000466422106 339204064 /nfs/dbraw/zinc/20/40/64/339204064.db2.gz JFKSPESZQPYUCP-UHFFFAOYSA-N 0 3 305.208 4.197 20 30 DIEDHN N#Cc1cccc(CCNCc2c(Cl)oc3ccccc32)c1 ZINC000466425025 339204304 /nfs/dbraw/zinc/20/43/04/339204304.db2.gz ZDTYPPIIVPICOE-UHFFFAOYSA-N 0 3 310.784 4.290 20 30 DIEDHN N#Cc1cccc(CCNCc2ncc(-c3ccccc3)s2)c1 ZINC000466425388 339204329 /nfs/dbraw/zinc/20/43/29/339204329.db2.gz MLFZVZZZBOTPOC-UHFFFAOYSA-N 0 3 319.433 4.014 20 30 DIEDHN N#Cc1cccc(CCNCc2ccccc2OC2CCCC2)c1 ZINC000466424717 339204349 /nfs/dbraw/zinc/20/43/49/339204349.db2.gz XDXKLBCELARDTH-UHFFFAOYSA-N 0 3 320.436 4.212 20 30 DIEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000467283096 339229880 /nfs/dbraw/zinc/22/98/80/339229880.db2.gz UEOSZZPXQRQPJP-AWEZNQCLSA-N 0 3 306.365 4.034 20 30 DIEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000467868035 339248184 /nfs/dbraw/zinc/24/81/84/339248184.db2.gz QUSFXPGQBGTYOH-AWEZNQCLSA-N 0 3 303.327 4.408 20 30 DIEDHN N#Cc1cc(CN(C2CC2)[C@H]2CCc3ccccc32)ccc1F ZINC000468278041 339258697 /nfs/dbraw/zinc/25/86/97/339258697.db2.gz PJSDBGQMINFEHO-FQEVSTJZSA-N 0 3 306.384 4.349 20 30 DIEDHN CC(C#N)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000469400716 339287932 /nfs/dbraw/zinc/28/79/32/339287932.db2.gz XODPGVNJADPDBH-GXFFZTMASA-N 0 3 312.335 4.068 20 30 DIEDHN CC(C#N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000469586997 339293717 /nfs/dbraw/zinc/29/37/17/339293717.db2.gz MZLZJDYHPJUCIV-LBPRGKRZSA-N 0 3 324.346 4.141 20 30 DIEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000469777863 339297929 /nfs/dbraw/zinc/29/79/29/339297929.db2.gz YHIQKEQJPRXXCF-HZPDHXFCSA-N 0 3 308.878 4.366 20 30 DIEDHN C=C(C)CN(CC)Cc1cc(Br)cc2cccnc21 ZINC000470175641 339312831 /nfs/dbraw/zinc/31/28/31/339312831.db2.gz RDTNQJRYFSVJRX-UHFFFAOYSA-N 0 3 319.246 4.395 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000472137899 339364100 /nfs/dbraw/zinc/36/41/00/339364100.db2.gz GSKYFIOFSQVBJD-RTBURBONSA-N 0 3 306.409 4.047 20 30 DIEDHN C=CCC[C@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000472580552 339374281 /nfs/dbraw/zinc/37/42/81/339374281.db2.gz KYNGNNMMPYOTGP-LEWJYISDSA-N 0 3 307.437 4.113 20 30 DIEDHN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000473471849 339385911 /nfs/dbraw/zinc/38/59/11/339385911.db2.gz OGGDKJQJCSBCGX-LRDDRELGSA-N 0 3 306.837 4.435 20 30 DIEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000475694618 339459685 /nfs/dbraw/zinc/45/96/85/339459685.db2.gz NMHLDJQDTLJUOJ-ZDUSSCGKSA-N 0 3 324.355 4.173 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cc2cccc(F)c2o1 ZINC000475722667 339460394 /nfs/dbraw/zinc/46/03/94/339460394.db2.gz SEYJZEDWZOQVSI-CYBMUJFWSA-N 0 3 308.356 4.489 20 30 DIEDHN CC[C@H](C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000480353074 339570131 /nfs/dbraw/zinc/57/01/31/339570131.db2.gz BMZMZTQUWZNUNW-SCLBCKFNSA-N 0 3 315.848 4.427 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C#N)cs1 ZINC000497100406 340020271 /nfs/dbraw/zinc/02/02/71/340020271.db2.gz SXXWPPNAOINQAP-BZNIZROVSA-N 0 3 320.845 4.139 20 30 DIEDHN COc1cc(CN[C@H](c2ccc(F)cc2)C(C)C)ccc1C#N ZINC000500503733 340060925 /nfs/dbraw/zinc/06/09/25/340060925.db2.gz PIDRAYMOUYNEGI-IBGZPJMESA-N 0 3 312.388 4.193 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000404768814 340063196 /nfs/dbraw/zinc/06/31/96/340063196.db2.gz UZAOMZCMFYKNRC-AWEZNQCLSA-N 0 3 312.388 4.337 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(C)s1 ZINC000501201110 340076039 /nfs/dbraw/zinc/07/60/39/340076039.db2.gz FZVPFURRRQBCQZ-MRXNPFEDSA-N 0 3 312.438 4.274 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(C)s1 ZINC000501201109 340076109 /nfs/dbraw/zinc/07/61/09/340076109.db2.gz FZVPFURRRQBCQZ-INIZCTEOSA-N 0 3 312.438 4.274 20 30 DIEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000505448399 340168810 /nfs/dbraw/zinc/16/88/10/340168810.db2.gz ZGWFWHHSDCYZQC-XPGWFJOJSA-N 0 3 318.420 4.124 20 30 DIEDHN C=CCc1cc(CN(CC)Cc2ccccc2)cc(OC)c1O ZINC000505847990 340179647 /nfs/dbraw/zinc/17/96/47/340179647.db2.gz KIAZZHVRCUIYRN-UHFFFAOYSA-N 0 3 311.425 4.151 20 30 DIEDHN C=C(C)CN(CC)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000505891033 340180949 /nfs/dbraw/zinc/18/09/49/340180949.db2.gz HLSWZFRCKHCJFZ-UHFFFAOYSA-N 0 3 301.409 4.026 20 30 DIEDHN CN(CCOc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000506905027 340203358 /nfs/dbraw/zinc/20/33/58/340203358.db2.gz YGYYSGHKZMZYRC-UHFFFAOYSA-N 0 3 316.404 4.222 20 30 DIEDHN CCOc1ccc(CN(Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000507173308 340211130 /nfs/dbraw/zinc/21/11/30/340211130.db2.gz LMVZZUORYSRUOH-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000507174792 340211147 /nfs/dbraw/zinc/21/11/47/340211147.db2.gz SPDMHRHDHPQQKM-UHFFFAOYSA-N 0 3 307.441 4.035 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000507739421 340230004 /nfs/dbraw/zinc/23/00/04/340230004.db2.gz LFICQXRIINMTKE-OAHLLOKOSA-N 0 3 308.450 4.163 20 30 DIEDHN Cc1cc(F)ccc1CNCCSCc1ccccc1C#N ZINC000507900422 340235558 /nfs/dbraw/zinc/23/55/58/340235558.db2.gz ADLIYWTXPPFAES-UHFFFAOYSA-N 0 3 314.429 4.029 20 30 DIEDHN CCN(Cc1cc(OC)cc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602893 340247595 /nfs/dbraw/zinc/24/75/95/340247595.db2.gz GXWXCXVTTINCGS-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN C[C@H](F)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000509388020 340267924 /nfs/dbraw/zinc/26/79/24/340267924.db2.gz OKAQWLWVKWARQX-HNNXBMFYSA-N 0 3 314.379 4.448 20 30 DIEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCC(C)(C)C#N ZINC000510240418 340293696 /nfs/dbraw/zinc/29/36/96/340293696.db2.gz JNEVNRBKPIWHSM-WBVHZDCISA-N 0 3 300.446 4.408 20 30 DIEDHN N#Cc1cccc(C2(NC/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000512036638 340346224 /nfs/dbraw/zinc/34/62/24/340346224.db2.gz AKGOLVLESRDCAE-RQOWECAXSA-N 0 3 310.347 4.129 20 30 DIEDHN C=C(C)COCCN[C@@H](C)c1cc(C)c(Br)s1 ZINC000512058756 340347073 /nfs/dbraw/zinc/34/70/73/340347073.db2.gz OYOWOEOAEADUNH-NSHDSACASA-N 0 3 318.280 4.062 20 30 DIEDHN C=C(C)CN(CCCc1ccccc1C)Cc1ccc(CO)o1 ZINC000512169854 340350757 /nfs/dbraw/zinc/35/07/57/340350757.db2.gz YQIUHXAYXLRJBI-UHFFFAOYSA-N 0 3 313.441 4.091 20 30 DIEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)c1F ZINC000512434200 340361710 /nfs/dbraw/zinc/36/17/10/340361710.db2.gz VDPBGIRJQWOAMB-SUMWQHHRSA-N 0 3 312.363 4.214 20 30 DIEDHN C=CCOc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000512496451 340364049 /nfs/dbraw/zinc/36/40/49/340364049.db2.gz KNUNAKNJDLUHBY-UHFFFAOYSA-N 0 3 310.372 4.162 20 30 DIEDHN C=C(C)CN(CCc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512517275 340365096 /nfs/dbraw/zinc/36/50/96/340365096.db2.gz TVSPYKNPRKJGAY-UHFFFAOYSA-N 0 3 315.436 4.224 20 30 DIEDHN C=CCOc1ccc(CNCc2cccn2CCC(C)C)cc1 ZINC000512516579 340365121 /nfs/dbraw/zinc/36/51/21/340365121.db2.gz IJOOVKKQJNUCQN-UHFFFAOYSA-N 0 3 312.457 4.389 20 30 DIEDHN C[C@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000512614589 340369169 /nfs/dbraw/zinc/36/91/69/340369169.db2.gz WNDPHGWOJKCSMZ-ZDUSSCGKSA-N 0 3 312.363 4.219 20 30 DIEDHN C[C@@H](NCC(C)(C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512621033 340369355 /nfs/dbraw/zinc/36/93/55/340369355.db2.gz URHXBUVPBDFPFM-CYBMUJFWSA-N 0 3 314.379 4.465 20 30 DIEDHN Cc1ccccc1OCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512619860 340369434 /nfs/dbraw/zinc/36/94/34/340369434.db2.gz NNOVLEUQLUPWIJ-HNNXBMFYSA-N 0 3 312.388 4.126 20 30 DIEDHN C[C@@H](NCC(C)(C)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512627011 340369888 /nfs/dbraw/zinc/36/98/88/340369888.db2.gz ZAVYVPVIYNNHCN-CYBMUJFWSA-N 0 3 314.379 4.465 20 30 DIEDHN CCS[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512629386 340369911 /nfs/dbraw/zinc/36/99/11/340369911.db2.gz ITTZWXXOKRITAU-BPLDGKMQSA-N 0 3 306.450 4.412 20 30 DIEDHN Cc1cccc(OC[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642911 340370621 /nfs/dbraw/zinc/37/06/21/340370621.db2.gz UFOYFIHDZBHQHI-CABCVRRESA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@H](NCC(C)(C)Oc1ccccc1)c1ccc(C#N)cc1F ZINC000512649555 340371013 /nfs/dbraw/zinc/37/10/13/340371013.db2.gz SNJLSTXPCBQMLU-AWEZNQCLSA-N 0 3 312.388 4.206 20 30 DIEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512653725 340371145 /nfs/dbraw/zinc/37/11/45/340371145.db2.gz GOPIKRJKCMDTQJ-STQMWFEESA-N 0 3 300.352 4.291 20 30 DIEDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652779 340371167 /nfs/dbraw/zinc/37/11/67/340371167.db2.gz BJUXPAXPGMYBLT-WBVHZDCISA-N 0 3 323.415 4.017 20 30 DIEDHN Cc1ccccc1O[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512660140 340371535 /nfs/dbraw/zinc/37/15/35/340371535.db2.gz LIBBIIQSOLAIBW-CABCVRRESA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@H](NCCc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512661116 340371731 /nfs/dbraw/zinc/37/17/31/340371731.db2.gz PZYFFUVKDGNLDX-LBPRGKRZSA-N 0 3 302.780 4.244 20 30 DIEDHN C[C@@H](NCCc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512661115 340371795 /nfs/dbraw/zinc/37/17/95/340371795.db2.gz PZYFFUVKDGNLDX-GFCCVEGCSA-N 0 3 302.780 4.244 20 30 DIEDHN C[C@@H](NCC1(C)Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512666051 340372118 /nfs/dbraw/zinc/37/21/18/340372118.db2.gz IIDDBBDUJOCCKL-CQSZACIVSA-N 0 3 308.400 4.153 20 30 DIEDHN CN(CCCSCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000173863584 340376092 /nfs/dbraw/zinc/37/60/92/340376092.db2.gz WQFLSXJAMATFEO-UHFFFAOYSA-N 0 3 303.258 4.072 20 30 DIEDHN Fc1ccc(CNCC2(C(F)(F)F)CC2)cc1C(F)(F)F ZINC000512912757 340383805 /nfs/dbraw/zinc/38/38/05/340383805.db2.gz IGEBFJPEIXLGDP-UHFFFAOYSA-N 0 3 315.232 4.277 20 30 DIEDHN N#Cc1csc(CNC[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000520898927 340476892 /nfs/dbraw/zinc/47/68/92/340476892.db2.gz IRZVXIUCDFJSSE-AWEZNQCLSA-N 0 3 324.371 4.131 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000234949996 340655356 /nfs/dbraw/zinc/65/53/56/340655356.db2.gz JAFNUKYVORXBGI-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN C=C(C)CN1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000236689470 340663930 /nfs/dbraw/zinc/66/39/30/340663930.db2.gz FUTKRUDNVUZFSC-UHFFFAOYSA-N 0 3 313.272 4.124 20 30 DIEDHN C=CCCOCCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000538117392 340810219 /nfs/dbraw/zinc/81/02/19/340810219.db2.gz WTOOXOJJSCIQDG-MRXNPFEDSA-N 0 3 324.262 4.083 20 30 DIEDHN CC(C)(C#N)CCN[C@H](COCc1ccccc1)c1ccccc1 ZINC000538512373 340830234 /nfs/dbraw/zinc/83/02/34/340830234.db2.gz MVUNQLSSBQUODW-HXUWFJFHSA-N 0 3 322.452 4.474 20 30 DIEDHN CC(C)COc1ccc(C(C)(C)NCCC(C)(C)C#N)cc1 ZINC000538515244 340830532 /nfs/dbraw/zinc/83/05/32/340830532.db2.gz OVBZVMKRIHPYHR-UHFFFAOYSA-N 0 3 302.462 4.486 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000539607270 340892165 /nfs/dbraw/zinc/89/21/65/340892165.db2.gz ICHPHKSJRNPFPK-DCPHZVHLSA-N 0 3 324.399 4.126 20 30 DIEDHN CC(C)(C#N)CCN[C@@H](COc1ccccc1)c1ccccc1 ZINC000539615862 340893001 /nfs/dbraw/zinc/89/30/01/340893001.db2.gz PTRLEDFSNPYPAQ-IBGZPJMESA-N 0 3 308.425 4.336 20 30 DIEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000540319787 340926875 /nfs/dbraw/zinc/92/68/75/340926875.db2.gz UXESVCRNCHPNKX-ZDUSSCGKSA-N 0 3 319.326 4.129 20 30 DIEDHN N#CCCCNCc1cccc(OCCCc2ccccc2)c1 ZINC000541380893 340968842 /nfs/dbraw/zinc/96/88/42/340968842.db2.gz TYNMIROFFIZXDR-UHFFFAOYSA-N 0 3 308.425 4.092 20 30 DIEDHN Cc1cccc(C2=CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000542258112 341002386 /nfs/dbraw/zinc/00/23/86/341002386.db2.gz HTVYWRLQYGCFBF-UHFFFAOYSA-N 0 3 302.421 4.350 20 30 DIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000542277145 341003163 /nfs/dbraw/zinc/00/31/63/341003163.db2.gz KGFSXXYKAKXDHY-LJQANCHMSA-N 0 3 306.409 4.098 20 30 DIEDHN CC[C@@H](NCCOc1ccccc1C#N)c1ccc(Cl)s1 ZINC000542556238 341013435 /nfs/dbraw/zinc/01/34/35/341013435.db2.gz MMTXZEHSXMKTLE-CYBMUJFWSA-N 0 3 320.845 4.393 20 30 DIEDHN N#CCC1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000542854157 341023719 /nfs/dbraw/zinc/02/37/19/341023719.db2.gz QBQKFLDULPQEIM-UHFFFAOYSA-N 0 3 320.436 4.391 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000543209677 341036838 /nfs/dbraw/zinc/03/68/38/341036838.db2.gz YWSOATAWPSWLTE-YWZLYKJASA-N 0 3 308.400 4.475 20 30 DIEDHN CCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543632798 341052249 /nfs/dbraw/zinc/05/22/49/341052249.db2.gz XSVTZPUKCJUUKM-OAHLLOKOSA-N 0 3 323.396 4.358 20 30 DIEDHN CCOC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961861 341064345 /nfs/dbraw/zinc/06/43/45/341064345.db2.gz UGRKVVOQFXKVMG-JKSUJKDBSA-N 0 3 308.425 4.301 20 30 DIEDHN CCOC[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961860 341064403 /nfs/dbraw/zinc/06/44/03/341064403.db2.gz UGRKVVOQFXKVMG-HZPDHXFCSA-N 0 3 308.425 4.301 20 30 DIEDHN C=CCN(CCc1cccc(F)c1F)Cc1cccc(C#N)c1 ZINC000544057660 341068503 /nfs/dbraw/zinc/06/85/03/341068503.db2.gz NAIPZBWCIDIFJH-UHFFFAOYSA-N 0 3 312.363 4.067 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc3c2CCC3)s1 ZINC000564276581 341075498 /nfs/dbraw/zinc/07/54/98/341075498.db2.gz BTIFULBBTHEBNT-HNNXBMFYSA-N 0 3 324.449 4.419 20 30 DIEDHN COc1cccc([C@H]2C[C@H](C)CN2Cc2cc(C#N)cs2)c1 ZINC000544367272 341078379 /nfs/dbraw/zinc/07/83/79/341078379.db2.gz UTOGDPKSNQAEQA-SCLBCKFNSA-N 0 3 312.438 4.211 20 30 DIEDHN C=CCC[C@@H](C)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575911 341086775 /nfs/dbraw/zinc/08/67/75/341086775.db2.gz IKNMDHBTZTUJJC-VQIMIIECSA-N 0 3 308.425 4.311 20 30 DIEDHN C=CCC[C@@H](C)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575908 341086797 /nfs/dbraw/zinc/08/67/97/341086797.db2.gz IKNMDHBTZTUJJC-APWZRJJASA-N 0 3 308.425 4.311 20 30 DIEDHN CC[C@@H](CSc1ccccc1)NCc1cc(C#N)cs1 ZINC000131723972 341110039 /nfs/dbraw/zinc/11/00/39/341110039.db2.gz VCRMOMOYWCEHOX-AWEZNQCLSA-N 0 3 302.468 4.280 20 30 DIEDHN C[C@H](NCc1cccc(-c2cccnc2)c1)c1cccc(C#N)c1 ZINC000545941083 341147449 /nfs/dbraw/zinc/14/74/49/341147449.db2.gz HVXFMCSDBHRTDH-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755635 341182001 /nfs/dbraw/zinc/18/20/01/341182001.db2.gz ZQGFKPUWGCEOMQ-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN CCCOc1ccc2c(c1)CCN(CCCC(C)(C)C#N)C2 ZINC000134513408 341216740 /nfs/dbraw/zinc/21/67/40/341216740.db2.gz VXUNOKRRTPHMMJ-UHFFFAOYSA-N 0 3 300.446 4.163 20 30 DIEDHN C[C@@H]1C[C@H](C)N1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770082 341231578 /nfs/dbraw/zinc/23/15/78/341231578.db2.gz FKWCNPWONUBVGO-HDICACEKSA-N 0 3 304.437 4.369 20 30 DIEDHN C[C@H](NCCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000548936552 341281666 /nfs/dbraw/zinc/28/16/66/341281666.db2.gz HPLXENAVWBXCBO-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN N#CCCOCCN1CCCCC[C@H]1Cc1ccccc1Cl ZINC000549870423 341305763 /nfs/dbraw/zinc/30/57/63/341305763.db2.gz YXZLPMVZYWXSHW-KRWDZBQOSA-N 0 3 320.864 4.057 20 30 DIEDHN N#Cc1ccccc1COc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000549936195 341307492 /nfs/dbraw/zinc/30/74/92/341307492.db2.gz QVPUTCWFCQZZKD-VQTJNVASSA-N 0 3 324.399 4.117 20 30 DIEDHN COc1ccc(CN([C@@H](C)c2ccccc2)C2CC2)cc1C#N ZINC000551007562 341328906 /nfs/dbraw/zinc/32/89/06/341328906.db2.gz IOEPQHLUOHZHTA-HNNXBMFYSA-N 0 3 306.409 4.292 20 30 DIEDHN C[C@@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000551222394 341334251 /nfs/dbraw/zinc/33/42/51/341334251.db2.gz KRDQVYANYZTGSG-SRCQZFHVSA-N 0 3 312.363 4.433 20 30 DIEDHN C=CCC[C@H](NC[C@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032931 341363275 /nfs/dbraw/zinc/36/32/75/341363275.db2.gz CVOCUWTZTAQYEG-MJGOQNOKSA-N 0 3 310.441 4.403 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252456 341381510 /nfs/dbraw/zinc/38/15/10/341381510.db2.gz OCOXYKZNIDHPSH-GDBMZVCRSA-N 0 3 303.377 4.483 20 30 DIEDHN C=CCC[C@H](NC[C@@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252459 341381528 /nfs/dbraw/zinc/38/15/28/341381528.db2.gz OCOXYKZNIDHPSH-ZBFHGGJFSA-N 0 3 303.377 4.483 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000552312186 341385699 /nfs/dbraw/zinc/38/56/99/341385699.db2.gz VWPDBQFLVAPKNI-QGZVFWFLSA-N 0 3 304.397 4.088 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000552312186 341385700 /nfs/dbraw/zinc/38/57/00/341385700.db2.gz VWPDBQFLVAPKNI-QGZVFWFLSA-N 0 3 304.397 4.088 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000248818485 341387666 /nfs/dbraw/zinc/38/76/66/341387666.db2.gz DZACMPIQSXCRNZ-YNEHKIRRSA-N 0 3 303.381 4.127 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059185 341392997 /nfs/dbraw/zinc/39/29/97/341392997.db2.gz ZLNCFWJXJNXBPD-IVMMDQJWSA-N 0 3 304.821 4.226 20 30 DIEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000552502506 341396652 /nfs/dbraw/zinc/39/66/52/341396652.db2.gz ZLZQIWBPINLZJA-SFHVURJKSA-N 0 3 322.880 4.051 20 30 DIEDHN N#CCC1(CNCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000336720313 341804567 /nfs/dbraw/zinc/80/45/67/341804567.db2.gz SWNJNWOAKCTQMR-UHFFFAOYSA-N 0 3 306.409 4.049 20 30 DIEDHN C[C@@H](CCNCc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000173571618 341817822 /nfs/dbraw/zinc/81/78/22/341817822.db2.gz SPHUFUVXLWVEIZ-LBPRGKRZSA-N 0 3 322.330 4.453 20 30 DIEDHN N#Cc1csc(CNC2(c3ccc(F)cc3)CCCC2)c1 ZINC000177694426 341924182 /nfs/dbraw/zinc/92/41/82/341924182.db2.gz GQQWITYFXRIASC-UHFFFAOYSA-N 0 3 300.402 4.318 20 30 DIEDHN CCCOCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181530260 520262361 /nfs/dbraw/zinc/26/23/61/520262361.db2.gz MCJMBYXRYGYFOQ-MRXNPFEDSA-N 0 3 308.425 4.336 20 30 DIEDHN CCN(Cc1ccccc1NC(C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000119878594 521384358 /nfs/dbraw/zinc/38/43/58/521384358.db2.gz NIZWNTXMFZCHBK-OAHLLOKOSA-N 0 3 321.424 4.100 20 30 DIEDHN Cc1[nH]c2c(cc(C)cc2CNCc2ccc(C#N)s2)c1C ZINC000267195086 525414620 /nfs/dbraw/zinc/41/46/20/525414620.db2.gz NDHJEGPWTIQNPW-UHFFFAOYSA-N 0 3 309.438 4.316 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000265475199 526043510 /nfs/dbraw/zinc/04/35/10/526043510.db2.gz JZAWKDPGLDJZNS-IERDGZPVSA-N 0 3 320.436 4.065 20 30 DIEDHN Cn1cc(CN[C@H](c2ccc(F)cc2)C2CCCC2)cc1C#N ZINC000190899684 527221525 /nfs/dbraw/zinc/22/15/25/527221525.db2.gz ZIIJGQRTFQZNOE-IBGZPJMESA-N 0 3 311.404 4.057 20 30 DIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000272179882 535893356 /nfs/dbraw/zinc/89/33/56/535893356.db2.gz FNRSPQCCHQXMPO-IBGZPJMESA-N 0 3 306.409 4.297 20 30 DIEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000610213303 1035745961 /nfs/dbraw/zinc/74/59/61/1035745961.db2.gz YFYVOXFDEPVGGB-ACBHZAAOSA-N 0 3 319.537 4.005 20 30 DIEDHN C=C(C)[C@@H](NCc1cc(C)ccc1O)c1ccc(F)c(F)c1 ZINC000187370989 1035773510 /nfs/dbraw/zinc/77/35/10/1035773510.db2.gz OCWAKZZDSOOQBG-GOSISDBHSA-N 0 3 303.352 4.386 20 30 DIEDHN Cc1c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331649 1035869069 /nfs/dbraw/zinc/86/90/69/1035869069.db2.gz KGQCSJDLHCISPB-ZIAGYGMSSA-N 0 3 309.369 4.187 20 30 DIEDHN COc1cc(CNCc2ccc(CC(C)C)cc2)ccc1C#N ZINC000578582316 1036392555 /nfs/dbraw/zinc/39/25/55/1036392555.db2.gz DEFONXLLKGAZFS-UHFFFAOYSA-N 0 3 308.425 4.055 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H](c3ccccc3)CC2)ccc1F ZINC001167303216 1036560639 /nfs/dbraw/zinc/56/06/39/1036560639.db2.gz YHYJCAYZGXOXEI-GOSISDBHSA-N 0 3 308.400 4.467 20 30 DIEDHN CCCOCc1ccccc1CNCc1c(C)cc(C#N)cc1C ZINC001648826358 1036600114 /nfs/dbraw/zinc/60/01/14/1036600114.db2.gz BZSBPRKXAJKPFZ-UHFFFAOYSA-N 0 3 322.452 4.392 20 30 DIEDHN CCCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610346102 1036840784 /nfs/dbraw/zinc/84/07/84/1036840784.db2.gz LEXNBAGQRNMTPQ-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN C=CCCCCCN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001167360948 1036979261 /nfs/dbraw/zinc/97/92/61/1036979261.db2.gz VYFGGDJOCMKCTO-INIZCTEOSA-N 0 3 322.443 4.390 20 30 DIEDHN COc1cc(C#N)ccc1CN(C)[C@@H](c1ccccc1)C(C)C ZINC001167371277 1037012367 /nfs/dbraw/zinc/01/23/67/1037012367.db2.gz BHHKRFKIHOZTKW-HXUWFJFHSA-N 0 3 308.425 4.396 20 30 DIEDHN COc1cc(CNCc2cccc3ccccc32)ccc1C#N ZINC000391228066 1037042503 /nfs/dbraw/zinc/04/25/03/1037042503.db2.gz GERZFMKILKCVGW-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN CSCc1cc(F)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000124898175 1037053536 /nfs/dbraw/zinc/05/35/36/1037053536.db2.gz BONPVZNVWIFWDF-CYBMUJFWSA-N 0 3 314.429 4.411 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccc(Cl)c2)n1 ZINC000155770741 1037180986 /nfs/dbraw/zinc/18/09/86/1037180986.db2.gz NVBVNTUKLZIFJR-GFCCVEGCSA-N 0 3 319.817 4.166 20 30 DIEDHN CC(C)Oc1ccccc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000580790769 1037298744 /nfs/dbraw/zinc/29/87/44/1037298744.db2.gz OZHWKNSRXNZJLG-INIZCTEOSA-N 0 3 324.424 4.075 20 30 DIEDHN C=CCCCCCN(C)[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001167461726 1037636684 /nfs/dbraw/zinc/63/66/84/1037636684.db2.gz QFQYFAPXPBQELG-GOSISDBHSA-N 0 3 302.462 4.390 20 30 DIEDHN C=CCOc1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1 ZINC000598037985 1038002761 /nfs/dbraw/zinc/00/27/61/1038002761.db2.gz LCOIHLSSLVLHML-UHFFFAOYSA-N 0 3 309.409 4.039 20 30 DIEDHN CCN([C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000602442949 1038005814 /nfs/dbraw/zinc/00/58/14/1038005814.db2.gz CYYDKXDDXFTMGB-CABCVRRESA-N 0 3 308.429 4.109 20 30 DIEDHN C[C@H](CCC#N)CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000602456675 1038014569 /nfs/dbraw/zinc/01/45/69/1038014569.db2.gz CEJBLKLONOLORV-WBVHZDCISA-N 0 3 324.428 4.203 20 30 DIEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(-c2ccccc2)o1 ZINC000602519065 1038026225 /nfs/dbraw/zinc/02/62/25/1038026225.db2.gz VASHLCOJUJZYDX-INIZCTEOSA-N 0 3 324.424 4.135 20 30 DIEDHN CC[C@H](NC[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602561000 1038038493 /nfs/dbraw/zinc/03/84/93/1038038493.db2.gz PFOOSHJNDJWCRV-ZJUUUORDSA-N 0 3 305.369 4.142 20 30 DIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000178178031 1038040363 /nfs/dbraw/zinc/04/03/63/1038040363.db2.gz RBBHCXODKZXNQY-HZPDHXFCSA-N 0 3 316.408 4.156 20 30 DIEDHN COc1ccc([C@H](NC2CCC(C#N)CC2)c2ccco2)cc1 ZINC000602687003 1038067428 /nfs/dbraw/zinc/06/74/28/1038067428.db2.gz UDDNRPPCATXQKG-KJXMEXGPSA-N 0 3 310.397 4.050 20 30 DIEDHN N#CCC1(CN2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000602828757 1038094531 /nfs/dbraw/zinc/09/45/31/1038094531.db2.gz GPWMZRKHRQUHFG-QGZVFWFLSA-N 0 3 304.384 4.242 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)ccc1OC ZINC000061001743 1038158406 /nfs/dbraw/zinc/15/84/06/1038158406.db2.gz NFSURYAOGIXOHF-UHFFFAOYSA-N 0 3 308.425 4.288 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1C(F)(F)F ZINC000599049301 1038223228 /nfs/dbraw/zinc/22/32/28/1038223228.db2.gz OVIRLWUTLMPWOK-JTQLQIEISA-N 0 3 302.315 4.435 20 30 DIEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000796679091 1038238762 /nfs/dbraw/zinc/23/87/62/1038238762.db2.gz MTMHWXPIBKZMIO-CVEARBPZSA-N 0 3 305.805 4.264 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712402 1038240438 /nfs/dbraw/zinc/24/04/38/1038240438.db2.gz XASVZBAFAKXCFV-XOBRGWDASA-N 0 3 301.393 4.158 20 30 DIEDHN COc1cc(C)ccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341712472 1038240764 /nfs/dbraw/zinc/24/07/64/1038240764.db2.gz PSCYBTYTQOXGJP-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN CCOc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341713227 1038243153 /nfs/dbraw/zinc/24/31/53/1038243153.db2.gz ZINOULXYTCKDQZ-LJQANCHMSA-N 0 3 306.409 4.124 20 30 DIEDHN N#CC(C(=O)c1nccc2ccccc21)c1ccc2ccccc2n1 ZINC000603627703 1038256291 /nfs/dbraw/zinc/25/62/91/1038256291.db2.gz CSCCHLYNKHIICE-KRWDZBQOSA-N 0 3 323.355 4.273 20 30 DIEDHN N#CC(C(=O)c1coc2ccccc12)c1ccc2ccccc2n1 ZINC000603627766 1038256895 /nfs/dbraw/zinc/25/68/95/1038256895.db2.gz PGZALIJCOJRZFN-OAHLLOKOSA-N 0 3 312.328 4.471 20 30 DIEDHN CCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758419 1038260626 /nfs/dbraw/zinc/26/06/26/1038260626.db2.gz PILRTAJFGXASQS-HXUWFJFHSA-N 0 3 306.409 4.124 20 30 DIEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000599414806 1038282986 /nfs/dbraw/zinc/28/29/86/1038282986.db2.gz JEAKYUBKZXITGH-SFHVURJKSA-N 0 3 324.424 4.125 20 30 DIEDHN C=CC[C@@H](CO)CN[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877111 1038304755 /nfs/dbraw/zinc/30/47/55/1038304755.db2.gz LFOFWYICVJMAPY-MWLCHTKSSA-N 0 3 320.285 4.207 20 30 DIEDHN CN(C)[C@H](CNc1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000603871583 1038308627 /nfs/dbraw/zinc/30/86/27/1038308627.db2.gz HGHQCTNUPCDSNF-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000610829801 1038371696 /nfs/dbraw/zinc/37/16/96/1038371696.db2.gz MVABFNVJZFPEBY-CABCVRRESA-N 0 3 322.408 4.131 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H]2c2cccc3ccccc32)ccn1 ZINC000610991296 1038420128 /nfs/dbraw/zinc/42/01/28/1038420128.db2.gz DOAOKLDQRFGOAR-NRFANRHFSA-N 0 3 313.404 4.444 20 30 DIEDHN N#Cc1cc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)ccn1 ZINC000610994672 1038425691 /nfs/dbraw/zinc/42/56/91/1038425691.db2.gz MJQONWHLZYMDCX-RQWLHQTBSA-N 0 3 317.436 4.411 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc3cc[nH]c32)cc1OC ZINC000342285999 1038518752 /nfs/dbraw/zinc/51/87/52/1038518752.db2.gz VNMJBUJNDCLDJR-UHFFFAOYSA-N 0 3 322.408 4.031 20 30 DIEDHN CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032771 1038625886 /nfs/dbraw/zinc/62/58/86/1038625886.db2.gz OSLVYOUAJXUYLW-UHFFFAOYSA-N 0 3 306.409 4.126 20 30 DIEDHN C=CCN(CCCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288178 1038694773 /nfs/dbraw/zinc/69/47/73/1038694773.db2.gz FTFJRDYVOXIUEB-UHFFFAOYSA-N 0 3 310.397 4.216 20 30 DIEDHN Cc1cccc(CN(CCCSCC#N)Cc2ccco2)c1 ZINC000342637524 1038696081 /nfs/dbraw/zinc/69/60/81/1038696081.db2.gz UBAGWXODUXGOIL-UHFFFAOYSA-N 0 3 314.454 4.237 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(Br)s1 ZINC000657529634 1038767265 /nfs/dbraw/zinc/76/72/65/1038767265.db2.gz FYMJCWNNYVKJMQ-WDEREUQCSA-N 0 3 315.280 4.130 20 30 DIEDHN N#Cc1c(Cl)cccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000342776536 1038771386 /nfs/dbraw/zinc/77/13/86/1038771386.db2.gz HHGRYODWHUTOHW-INIZCTEOSA-N 0 3 315.804 4.054 20 30 DIEDHN N#Cc1c(Cl)cccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000342776554 1038771482 /nfs/dbraw/zinc/77/14/82/1038771482.db2.gz HHGRYODWHUTOHW-MRXNPFEDSA-N 0 3 315.804 4.054 20 30 DIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000342812630 1038850142 /nfs/dbraw/zinc/85/01/42/1038850142.db2.gz BRGHCQKAJTXOGC-IBGZPJMESA-N 0 3 306.409 4.297 20 30 DIEDHN C=CCCC1(CNCc2nccn2CC(F)(F)F)CCCC1 ZINC000657567161 1038855755 /nfs/dbraw/zinc/85/57/55/1038855755.db2.gz LCYJZLVUKCTGMF-UHFFFAOYSA-N 0 3 315.383 4.062 20 30 DIEDHN C=CCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000657583024 1038876934 /nfs/dbraw/zinc/87/69/34/1038876934.db2.gz UIEUBPUBZPDFNN-UHFFFAOYSA-N 0 3 312.360 4.495 20 30 DIEDHN CCCN(CCCCC#N)Cc1ccccc1Br ZINC000608832875 1038929397 /nfs/dbraw/zinc/92/93/97/1038929397.db2.gz ZTIZTCLIDHUCMX-UHFFFAOYSA-N 0 3 309.251 4.355 20 30 DIEDHN C=CCOc1ccccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000161498423 1039093098 /nfs/dbraw/zinc/09/30/98/1039093098.db2.gz VGNQUOHRTZHRCV-MRXNPFEDSA-N 0 3 310.441 4.168 20 30 DIEDHN Cc1cccc([C@@H]2CCCN2Cc2c(C)cc(C#N)cc2C)n1 ZINC001167657562 1039179883 /nfs/dbraw/zinc/17/98/83/1039179883.db2.gz YYBMRQMBRAEGKS-FQEVSTJZSA-N 0 3 305.425 4.216 20 30 DIEDHN Cc1cccc([C@H]2CCCN2Cc2c(C)cc(C#N)cc2C)n1 ZINC001167657563 1039180039 /nfs/dbraw/zinc/18/00/39/1039180039.db2.gz YYBMRQMBRAEGKS-HXUWFJFHSA-N 0 3 305.425 4.216 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000218862136 1039181380 /nfs/dbraw/zinc/18/13/80/1039181380.db2.gz KHQWPYLNSXATNS-IRXDYDNUSA-N 0 3 324.468 4.304 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170867 1039240772 /nfs/dbraw/zinc/24/07/72/1039240772.db2.gz CKLXKOWJTMFANK-RDTXWAMCSA-N 0 3 322.408 4.131 20 30 DIEDHN C=CCCC[C@@H](C)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000091622925 1039242981 /nfs/dbraw/zinc/24/29/81/1039242981.db2.gz MFFNMYXHZMQYSY-QGZVFWFLSA-N 0 3 302.462 4.309 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](c1ccccc1C)C1CC1 ZINC000539493406 1039269851 /nfs/dbraw/zinc/26/98/51/1039269851.db2.gz NIRWDCKSULSWBO-FQEVSTJZSA-N 0 3 306.409 4.116 20 30 DIEDHN CC[C@H](NCc1ccc(N(CC)CC)nc1)c1ccc(C#N)cc1 ZINC000278206728 1039283760 /nfs/dbraw/zinc/28/37/60/1039283760.db2.gz HDIIMCOYMUZCMY-IBGZPJMESA-N 0 3 322.456 4.040 20 30 DIEDHN C=CCc1cc(CN[C@@H](C)c2ccsc2)cc(OC)c1O ZINC000669831200 1039290380 /nfs/dbraw/zinc/29/03/80/1039290380.db2.gz XDZJFICCNGEPNO-LBPRGKRZSA-N 0 3 303.427 4.042 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251757 1039325141 /nfs/dbraw/zinc/32/51/41/1039325141.db2.gz MQBJMKSHDKCPTO-YJYMSZOUSA-N 0 3 321.380 4.195 20 30 DIEDHN COc1cc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)ccc1C#N ZINC000569630232 1039340677 /nfs/dbraw/zinc/34/06/77/1039340677.db2.gz WNRLNRIKLSMYDC-HXUWFJFHSA-N 0 3 324.399 4.255 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@]3(CCCc4ccccc43)C2)o1 ZINC000539825171 1039353459 /nfs/dbraw/zinc/35/34/59/1039353459.db2.gz NBOJKHMAPYVBDT-FQEVSTJZSA-N 0 3 306.409 4.021 20 30 DIEDHN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](C#N)CCC#N ZINC000583688817 1039425487 /nfs/dbraw/zinc/42/54/87/1039425487.db2.gz FQHVMZAUKDUGPG-DOMZBBRYSA-N 0 3 324.255 4.348 20 30 DIEDHN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540702130 1039545514 /nfs/dbraw/zinc/54/55/14/1039545514.db2.gz RIKDHWACBCCLNR-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN COc1cc(-c2ccccc2)ccc1CN1CCC(CC#N)CC1 ZINC000540995241 1039608537 /nfs/dbraw/zinc/60/85/37/1039608537.db2.gz OWCGABMLKPDMSZ-UHFFFAOYSA-N 0 3 320.436 4.488 20 30 DIEDHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cccc(C#N)c2)c1 ZINC000541316844 1039662705 /nfs/dbraw/zinc/66/27/05/1039662705.db2.gz JUDLJOKVBWFHNS-FOIQADDNSA-N 0 3 306.409 4.150 20 30 DIEDHN Clc1ccc(C#CCN[C@@H](c2cccs2)C2CC2)cc1 ZINC000541580231 1039705357 /nfs/dbraw/zinc/70/53/57/1039705357.db2.gz YEMDYENMSJGXER-QGZVFWFLSA-N 0 3 301.842 4.494 20 30 DIEDHN C[C@H](NC[C@@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531854 1039916889 /nfs/dbraw/zinc/91/68/89/1039916889.db2.gz VHTZMJPKAKVNLM-ZWKOTPCHSA-N 0 3 317.436 4.240 20 30 DIEDHN N#Cc1ccc(Br)c(CN2CCC[C@H]2C2CCC2)c1 ZINC000492400055 1039959296 /nfs/dbraw/zinc/95/92/96/1039959296.db2.gz QVTMFBQLOPUKKS-INIZCTEOSA-N 0 3 319.246 4.085 20 30 DIEDHN CC(C)COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000106466453 1040106563 /nfs/dbraw/zinc/10/65/63/1040106563.db2.gz UEYYGISWPIDGAP-INIZCTEOSA-N 0 3 308.425 4.444 20 30 DIEDHN CCCCCCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001167684451 1040395589 /nfs/dbraw/zinc/39/55/89/1040395589.db2.gz GNUGRFLOUHQMOH-SJORKVTESA-N 0 3 317.539 4.025 20 30 DIEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000658334728 1040424926 /nfs/dbraw/zinc/42/49/26/1040424926.db2.gz AJXXFZSTIBJCND-NWDGAFQWSA-N 0 3 307.846 4.266 20 30 DIEDHN C=C(C)COc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC000057958605 1040609340 /nfs/dbraw/zinc/60/93/40/1040609340.db2.gz VLHJLFYEYONTII-UHFFFAOYSA-N 0 3 315.388 4.079 20 30 DIEDHN N#Cc1c(F)cc(CN2CC[C@@H](C3CCCCC3)C2)cc1F ZINC001140754489 1040659848 /nfs/dbraw/zinc/65/98/48/1040659848.db2.gz BDBFGSJRPDEUIE-OAHLLOKOSA-N 0 3 304.384 4.239 20 30 DIEDHN COc1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613255231 1040844474 /nfs/dbraw/zinc/84/44/74/1040844474.db2.gz KNMPNKASWUNUQA-LKUPVBHCSA-N 0 3 320.436 4.457 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000581452529 1040856894 /nfs/dbraw/zinc/85/68/94/1040856894.db2.gz ZGHFOUABDVYNIZ-LJQANCHMSA-N 0 3 324.424 4.159 20 30 DIEDHN N#CC(C(=O)c1ccc(Cl)s1)c1ccc2ccccc2n1 ZINC000613290996 1040859923 /nfs/dbraw/zinc/85/99/23/1040859923.db2.gz QSTPHZOQZFDRPN-NSHDSACASA-N 0 3 312.781 4.440 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccc2ccccc2n1 ZINC000613290546 1040860337 /nfs/dbraw/zinc/86/03/37/1040860337.db2.gz FJGDSYNZFBGJLR-AWEZNQCLSA-N 0 3 318.401 4.275 20 30 DIEDHN CC[C@@H](C)Oc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000175082739 1041035104 /nfs/dbraw/zinc/03/51/04/1041035104.db2.gz YVQWPDANEYUYQO-IUODEOHRSA-N 0 3 314.410 4.119 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468070 1041045218 /nfs/dbraw/zinc/04/52/18/1041045218.db2.gz AVHMLMSLKUKTOC-CYBMUJFWSA-N 0 3 312.335 4.019 20 30 DIEDHN C=C(Br)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000809616121 1041197127 /nfs/dbraw/zinc/19/71/27/1041197127.db2.gz JLCRFEQESASREH-VIFPVBQESA-N 0 3 322.168 4.307 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OCC)c(OCC)c2)cc1 ZINC000809602674 1041202600 /nfs/dbraw/zinc/20/26/00/1041202600.db2.gz VLKUKRMBNCKKGW-MRXNPFEDSA-N 0 3 323.436 4.316 20 30 DIEDHN C#Cc1ccc(CNCc2c(OC)ccc3ccccc32)cc1 ZINC000809632561 1041208036 /nfs/dbraw/zinc/20/80/36/1041208036.db2.gz SASSXRUUMOUKOY-UHFFFAOYSA-N 0 3 301.389 4.120 20 30 DIEDHN CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794857 1041267652 /nfs/dbraw/zinc/26/76/52/1041267652.db2.gz NNBWDVKJNVAKOI-UKRRQHHQSA-N 0 3 304.434 4.073 20 30 DIEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OC ZINC000810208662 1041348078 /nfs/dbraw/zinc/34/80/78/1041348078.db2.gz FIVQEOTYYOZPFE-RBUKOAKNSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1C ZINC000810250401 1041357447 /nfs/dbraw/zinc/35/74/47/1041357447.db2.gz HMIQHZCCWVYWLI-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC000290649903 1041525756 /nfs/dbraw/zinc/52/57/56/1041525756.db2.gz ZBCHJXRVJCRWCK-SFHVURJKSA-N 0 3 308.429 4.016 20 30 DIEDHN CC[C@@H](N[C@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799257 1041584179 /nfs/dbraw/zinc/58/41/79/1041584179.db2.gz WVIPPAOJCMFRAV-MOPGFXCFSA-N 0 3 322.456 4.454 20 30 DIEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000728766975 1041632847 /nfs/dbraw/zinc/63/28/47/1041632847.db2.gz RAJBLRQMHBYUQO-WCQYABFASA-N 0 3 316.451 4.046 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000747815392 1041648241 /nfs/dbraw/zinc/64/82/41/1041648241.db2.gz GNNZLOFUPPDOFZ-MGPUTAFESA-N 0 3 324.399 4.284 20 30 DIEDHN C#C[C@H](N[C@H]1CCC[C@@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792890 1041650711 /nfs/dbraw/zinc/65/07/11/1041650711.db2.gz JXEJFMGWZUHXHE-UXPWSPDFSA-N 0 3 308.400 4.211 20 30 DIEDHN C#C[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792891 1041651178 /nfs/dbraw/zinc/65/11/78/1041651178.db2.gz JXEJFMGWZUHXHE-VDGAXYAQSA-N 0 3 308.400 4.211 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1COCc2ccccc21 ZINC000417361309 1041664351 /nfs/dbraw/zinc/66/43/51/1041664351.db2.gz KPHNRAZRWMSSTG-NHCUHLMSSA-N 0 3 318.420 4.187 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370263 1041667073 /nfs/dbraw/zinc/66/70/73/1041667073.db2.gz SFUAXHWASYEZRE-XCLFUZPHSA-N 0 3 319.383 4.297 20 30 DIEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813217429 1041681808 /nfs/dbraw/zinc/68/18/08/1041681808.db2.gz GBOKNSQMLJJSKF-CQSZACIVSA-N 0 3 320.314 4.023 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2cc(C)oc2C)o1 ZINC000661118671 1041888223 /nfs/dbraw/zinc/88/82/23/1041888223.db2.gz JKBFKDOXYZOVDY-GDBMZVCRSA-N 0 3 315.417 4.171 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C)cc2)o1 ZINC000661117359 1041890153 /nfs/dbraw/zinc/89/01/53/1041890153.db2.gz QGYILJFBGMCILE-RDJZCZTQSA-N 0 3 311.429 4.270 20 30 DIEDHN CC(C)Oc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236718775 1041916206 /nfs/dbraw/zinc/91/62/06/1041916206.db2.gz DERQPSPCPWQRQM-MRXNPFEDSA-N 0 3 324.424 4.054 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(C)(F)F ZINC000815912420 1042000913 /nfs/dbraw/zinc/00/09/13/1042000913.db2.gz LQYKQUNEWNWZNI-CMPLNLGQSA-N 0 3 320.364 4.278 20 30 DIEDHN C=CCC1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 ZINC000661851918 1042006789 /nfs/dbraw/zinc/00/67/89/1042006789.db2.gz XSLQTEQBEONCFW-UHFFFAOYSA-N 0 3 317.820 4.369 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000236770213 1042047280 /nfs/dbraw/zinc/04/72/80/1042047280.db2.gz HZEUHFPVVNMCHG-QGZVFWFLSA-N 0 3 323.436 4.337 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662079442 1042057421 /nfs/dbraw/zinc/05/74/21/1042057421.db2.gz GFNZXNOWJFXLRT-OIISXLGYSA-N 0 3 309.413 4.289 20 30 DIEDHN C=CCCCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817587292 1042118921 /nfs/dbraw/zinc/11/89/21/1042118921.db2.gz VTWMAICIQAMTCF-GFCCVEGCSA-N 0 3 315.280 4.303 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121838295 1042157302 /nfs/dbraw/zinc/15/73/02/1042157302.db2.gz PXHHWSXBRBRTIB-RDTXWAMCSA-N 0 3 324.424 4.377 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170922295 1042169547 /nfs/dbraw/zinc/16/95/47/1042169547.db2.gz YFUGASRMAOKUEJ-GOSISDBHSA-N 0 3 322.839 4.127 20 30 DIEDHN C=CCCCN1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001167818689 1042178781 /nfs/dbraw/zinc/17/87/81/1042178781.db2.gz IKKLZGDQMPLWKU-GOSISDBHSA-N 0 3 311.429 4.188 20 30 DIEDHN C=C(C)COCCN[C@@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820823734 1042229053 /nfs/dbraw/zinc/22/90/53/1042229053.db2.gz OSZWQRGTFUOHDH-SFHVURJKSA-N 0 3 319.832 4.399 20 30 DIEDHN N#Cc1ccc2c(c1)CN(CCCc1ccc(Cl)cc1)CC2 ZINC001207592494 1042243172 /nfs/dbraw/zinc/24/31/72/1042243172.db2.gz ABJJKJIHUMNIIR-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN CCOCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525432 1042289264 /nfs/dbraw/zinc/28/92/64/1042289264.db2.gz GRPQZSZUHPSJOJ-INIZCTEOSA-N 0 3 324.424 4.124 20 30 DIEDHN CC1(C)CN(Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139706179 1042290190 /nfs/dbraw/zinc/29/01/90/1042290190.db2.gz NQSOAHUXGRCBQX-UHFFFAOYSA-N 0 3 315.420 4.333 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614159708 1042418306 /nfs/dbraw/zinc/41/83/06/1042418306.db2.gz QDDJVRSDGDYGRO-UHFFFAOYSA-N 0 3 308.425 4.128 20 30 DIEDHN CC(C)N(Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000614160726 1042418393 /nfs/dbraw/zinc/41/83/93/1042418393.db2.gz BYYAWOBADUQPIW-UHFFFAOYSA-N 0 3 307.441 4.293 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCS[C@H](c2ccccc2)C1 ZINC000614400874 1042491132 /nfs/dbraw/zinc/49/11/32/1042491132.db2.gz LRCWAGHLLQAUTF-IBGZPJMESA-N 0 3 308.450 4.157 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000614400875 1042491151 /nfs/dbraw/zinc/49/11/51/1042491151.db2.gz LRCWAGHLLQAUTF-LJQANCHMSA-N 0 3 308.450 4.157 20 30 DIEDHN CC[C@H]1c2ccsc2CCN1Cc1ccc(OCC#N)cc1 ZINC000729267119 1042517314 /nfs/dbraw/zinc/51/73/14/1042517314.db2.gz JTEIPULRUPXPNB-KRWDZBQOSA-N 0 3 312.438 4.160 20 30 DIEDHN C=CCOc1ccc(CN(C)Cc2ccc(C)s2)cc1OC ZINC000513437390 1042541373 /nfs/dbraw/zinc/54/13/73/1042541373.db2.gz CUMGWQPRCFHXRS-UHFFFAOYSA-N 0 3 317.454 4.262 20 30 DIEDHN C=CCC[C@@H](NCCOc1ccc(F)c(F)c1)c1ccco1 ZINC000513684423 1042559575 /nfs/dbraw/zinc/55/95/75/1042559575.db2.gz RBTUDVXUAPXEQZ-MRXNPFEDSA-N 0 3 307.340 4.234 20 30 DIEDHN CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C)cc1[O-] ZINC000280156239 1042566273 /nfs/dbraw/zinc/56/62/73/1042566273.db2.gz QLAYEIWKQHOUNC-GOSISDBHSA-N 0 3 306.409 4.302 20 30 DIEDHN COc1ccc(CNCc2ccccc2CC(C)C)cc1C#N ZINC001203216036 1042615718 /nfs/dbraw/zinc/61/57/18/1042615718.db2.gz PKJDNNYSZSQSKK-UHFFFAOYSA-N 0 3 308.425 4.055 20 30 DIEDHN C=CCOc1ccc(CNCc2cnccc2C(C)(C)C)cc1 ZINC000414499336 1042625681 /nfs/dbraw/zinc/62/56/81/1042625681.db2.gz OOWLXGSJZGOATO-UHFFFAOYSA-N 0 3 310.441 4.234 20 30 DIEDHN Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc(C)n1 ZINC000421855520 1042657687 /nfs/dbraw/zinc/65/76/87/1042657687.db2.gz MMLCNEREJAZVHK-FQEVSTJZSA-N 0 3 305.425 4.127 20 30 DIEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000425366207 1042799177 /nfs/dbraw/zinc/79/91/77/1042799177.db2.gz ORSVMMBIXZFZCY-OAHLLOKOSA-N 0 3 324.424 4.077 20 30 DIEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3csc(C#N)c3)C2)c1 ZINC000894784572 1042977396 /nfs/dbraw/zinc/97/73/96/1042977396.db2.gz OICJPAOSYQYUKP-WKILWMFISA-N 0 3 312.438 4.006 20 30 DIEDHN COc1cc(C)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918894 1043055897 /nfs/dbraw/zinc/05/58/97/1043055897.db2.gz JPOGEWISMHTTBL-HUUCEWRRSA-N 0 3 324.424 4.296 20 30 DIEDHN CN(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000049091592 1043056201 /nfs/dbraw/zinc/05/62/01/1043056201.db2.gz PVGUGKIYBAEWEL-UHFFFAOYSA-N 0 3 304.315 4.209 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](c2ncccc2C)C(C)C)cc1 ZINC000120517519 1043084367 /nfs/dbraw/zinc/08/43/67/1043084367.db2.gz DGSMSHFZTWMAFD-PXNSSMCTSA-N 0 3 322.452 4.450 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2csc(C)c2C)c1 ZINC000865464139 1043101585 /nfs/dbraw/zinc/10/15/85/1043101585.db2.gz UNDARNDWDYUTDT-KRWDZBQOSA-N 0 3 314.454 4.336 20 30 DIEDHN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1F ZINC000866609694 1043231996 /nfs/dbraw/zinc/23/19/96/1043231996.db2.gz MYUDWPIRPSKLJP-PSOPSSQASA-N 0 3 312.310 4.245 20 30 DIEDHN C=C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000179008488 1043266285 /nfs/dbraw/zinc/26/62/85/1043266285.db2.gz NOZNPXMXLSATSN-GDBMZVCRSA-N 0 3 316.360 4.364 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000122177181 1043284458 /nfs/dbraw/zinc/28/44/58/1043284458.db2.gz IHAMHONTJXTJRP-GJZGRUSLSA-N 0 3 312.388 4.310 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccc(C)nc2)cc1 ZINC000268764289 1043330112 /nfs/dbraw/zinc/33/01/12/1043330112.db2.gz IUBHRFJKLWBCTM-HNNXBMFYSA-N 0 3 316.832 4.372 20 30 DIEDHN C#CCCCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925528408 1043426725 /nfs/dbraw/zinc/42/67/25/1043426725.db2.gz TWTKPKNLJCKJCS-JTQLQIEISA-N 0 3 304.743 4.208 20 30 DIEDHN C#CCCCCN[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925528409 1043426996 /nfs/dbraw/zinc/42/69/96/1043426996.db2.gz TWTKPKNLJCKJCS-SNVBAGLBSA-N 0 3 304.743 4.208 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860614 1043436220 /nfs/dbraw/zinc/43/62/20/1043436220.db2.gz LHPJJKVTNPIJML-YVWKXTFCSA-N 0 3 306.409 4.089 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000442892142 1043450222 /nfs/dbraw/zinc/45/02/22/1043450222.db2.gz DTILXDGMYAONJB-INIZCTEOSA-N 0 3 313.404 4.280 20 30 DIEDHN COc1cc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687292 1043461804 /nfs/dbraw/zinc/46/18/04/1043461804.db2.gz UBTCVHGMYAUDRB-AUUYWEPGSA-N 0 3 321.424 4.080 20 30 DIEDHN CCCc1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000558244534 1043471938 /nfs/dbraw/zinc/47/19/38/1043471938.db2.gz CBBFJFOSVXWQFM-FQEVSTJZSA-N 0 3 307.441 4.393 20 30 DIEDHN Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc(C)c1O ZINC000558403700 1043500611 /nfs/dbraw/zinc/50/06/11/1043500611.db2.gz FROBMLRFWBSNDM-UHFFFAOYSA-N 0 3 318.420 4.170 20 30 DIEDHN C=CCCCN[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000443465502 1043568062 /nfs/dbraw/zinc/56/80/62/1043568062.db2.gz XOIWFENJLLGJBV-FQEVSTJZSA-N 0 3 311.425 4.349 20 30 DIEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1 ZINC000124945324 1043575736 /nfs/dbraw/zinc/57/57/36/1043575736.db2.gz ZBRKXXVMEWECFT-KRWDZBQOSA-N 0 3 314.816 4.461 20 30 DIEDHN Cc1cc(F)cc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001143592135 1043578540 /nfs/dbraw/zinc/57/85/40/1043578540.db2.gz PSBBLMSEIXRGOE-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCC[C@H](NCc1ccc(Cn2ccnc2)cc1)c1ccco1 ZINC000353405504 1043605279 /nfs/dbraw/zinc/60/52/79/1043605279.db2.gz OGWVITFVNWZPCO-IBGZPJMESA-N 0 3 321.424 4.322 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599404 1043606171 /nfs/dbraw/zinc/60/61/71/1043606171.db2.gz FYDBHFQTWKKLMK-XOBRGWDASA-N 0 3 320.440 4.208 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599397 1043606339 /nfs/dbraw/zinc/60/63/39/1043606339.db2.gz FYDBHFQTWKKLMK-VBKZILBWSA-N 0 3 320.440 4.208 20 30 DIEDHN C=CCC[C@@H](NCc1cccc(Cn2ccnc2)c1)c1ccco1 ZINC000353434997 1043607551 /nfs/dbraw/zinc/60/75/51/1043607551.db2.gz KYFUXICPYRNWCA-LJQANCHMSA-N 0 3 321.424 4.322 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583269 1043620886 /nfs/dbraw/zinc/62/08/86/1043620886.db2.gz XMDVORXWRIMXKV-PMACEKPBSA-N 0 3 306.384 4.352 20 30 DIEDHN COc1cc(CN[C@@H]2CC[C@@H](C)c3ccccc32)ccc1C#N ZINC000353626852 1043625567 /nfs/dbraw/zinc/62/55/67/1043625567.db2.gz UYDVDRDNPDQMMZ-AUUYWEPGSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@H]1Cc2ccccc2CN1Cc1cccc(OCCCC#N)c1 ZINC000353667791 1043632110 /nfs/dbraw/zinc/63/21/10/1043632110.db2.gz VVRFTIOQFVTFBM-KRWDZBQOSA-N 0 3 320.436 4.316 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895337338 1043642327 /nfs/dbraw/zinc/64/23/27/1043642327.db2.gz ILXBHJRQTMKOIT-LLVKDONJSA-N 0 3 304.381 4.036 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000926903449 1043651804 /nfs/dbraw/zinc/65/18/04/1043651804.db2.gz WNFRDYWUBXYRPA-KBPBESRZSA-N 0 3 312.388 4.426 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000353918079 1043656615 /nfs/dbraw/zinc/65/66/15/1043656615.db2.gz XJUIAOOCJUQLGV-QGZVFWFLSA-N 0 3 320.396 4.194 20 30 DIEDHN COc1ccc(CN[C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000353916653 1043657147 /nfs/dbraw/zinc/65/71/47/1043657147.db2.gz RAJNOQZQNYMIMK-LJQANCHMSA-N 0 3 324.424 4.229 20 30 DIEDHN N#CCCC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353918456 1043658682 /nfs/dbraw/zinc/65/86/82/1043658682.db2.gz YFQBJVDLRLTPOT-GOSISDBHSA-N 0 3 309.369 4.120 20 30 DIEDHN C=C(C)[C@H](NCc1cccc(OC)c1O)c1ccc(F)c(F)c1 ZINC000187370557 1043734160 /nfs/dbraw/zinc/73/41/60/1043734160.db2.gz XHCTUIXRCNHSRS-KRWDZBQOSA-N 0 3 319.351 4.086 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929164914 1043795463 /nfs/dbraw/zinc/79/54/63/1043795463.db2.gz PFQBOQHPTSSUQH-QZTJIDSGSA-N 0 3 312.363 4.039 20 30 DIEDHN N#Cc1cncc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000930217015 1043895424 /nfs/dbraw/zinc/89/54/24/1043895424.db2.gz QTWXKFIRKJLQBR-SFHVURJKSA-N 0 3 311.816 4.238 20 30 DIEDHN CC(C)C[C@@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930226221 1043900297 /nfs/dbraw/zinc/90/02/97/1043900297.db2.gz KGMRFAHHAAVWDJ-GOSISDBHSA-N 0 3 313.832 4.484 20 30 DIEDHN C[C@@H]1C[C@@H]1[C@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238400 1043903283 /nfs/dbraw/zinc/90/32/83/1043903283.db2.gz NZPXFDJGCPODDW-OCBCSQNSSA-N 0 3 311.816 4.094 20 30 DIEDHN CC1=Nc2ccccc2C12CCN(Cc1ccc(C#N)s1)CC2 ZINC000878795857 1043921023 /nfs/dbraw/zinc/92/10/23/1043921023.db2.gz RTZBXPWCYZMSAT-UHFFFAOYSA-N 0 3 321.449 4.260 20 30 DIEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554053 1043962796 /nfs/dbraw/zinc/96/27/96/1043962796.db2.gz QZLUVWQSGNFIHN-CVEARBPZSA-N 0 3 323.440 4.001 20 30 DIEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554079 1043962932 /nfs/dbraw/zinc/96/29/32/1043962932.db2.gz QZLUVWQSGNFIHN-JKSUJKDBSA-N 0 3 323.440 4.001 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000930886373 1043972793 /nfs/dbraw/zinc/97/27/93/1043972793.db2.gz FMWNHAGKHVTSMY-UHFFFAOYSA-N 0 3 315.420 4.216 20 30 DIEDHN CC(C)CN(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccn1 ZINC000896666019 1043977729 /nfs/dbraw/zinc/97/77/29/1043977729.db2.gz VMOGOJUVVBKPAW-KRWDZBQOSA-N 0 3 323.440 4.031 20 30 DIEDHN C[C@@H](C1CC1)N(Cc1ccc(Br)cc1C#N)C1CC1 ZINC000561842195 1044011343 /nfs/dbraw/zinc/01/13/43/1044011343.db2.gz VFUCUVJYEYTMRM-NSHDSACASA-N 0 3 319.246 4.084 20 30 DIEDHN C=CCCOCCN[C@@H](CC)c1ccccc1Br ZINC000358352384 1044058084 /nfs/dbraw/zinc/05/80/84/1044058084.db2.gz IMCQJYYSVSEBLM-HNNXBMFYSA-N 0 3 312.251 4.083 20 30 DIEDHN CSC[C@@H](NCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000346800034 1044142321 /nfs/dbraw/zinc/14/23/21/1044142321.db2.gz QROVOOWOHYOEHQ-CYBMUJFWSA-N 0 3 302.365 4.003 20 30 DIEDHN C=CC[C@@H](CC)NCc1csc(COc2ccccc2)n1 ZINC000281500466 1044142403 /nfs/dbraw/zinc/14/24/03/1044142403.db2.gz WRJURLLBPSPZME-CQSZACIVSA-N 0 3 302.443 4.166 20 30 DIEDHN COc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)cc1C#N ZINC000129456652 1044151516 /nfs/dbraw/zinc/15/15/16/1044151516.db2.gz XCFYQMULIXPVCK-SFHVURJKSA-N 0 3 306.409 4.079 20 30 DIEDHN C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC(C)(C)O1 ZINC000562864490 1044171080 /nfs/dbraw/zinc/17/10/80/1044171080.db2.gz GTGXPRSVVYAYHM-INIZCTEOSA-N 0 3 320.436 4.225 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)ccc1C#N ZINC000281659524 1044174978 /nfs/dbraw/zinc/17/49/78/1044174978.db2.gz KPALPAMCJANDSG-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)ccc1C#N ZINC000281659528 1044175311 /nfs/dbraw/zinc/17/53/11/1044175311.db2.gz KPALPAMCJANDSG-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@]1(C)CCOc2ccccc21 ZINC000933370750 1044195597 /nfs/dbraw/zinc/19/55/97/1044195597.db2.gz OYWBZMLWASLTOM-NRFANRHFSA-N 0 3 320.436 4.275 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCCC(F)(F)C1 ZINC000778173452 1044197787 /nfs/dbraw/zinc/19/77/87/1044197787.db2.gz KKNQAWFMFVFMGT-LBPRGKRZSA-N 0 3 313.775 4.020 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)N[C@@H](C)c1nnc(C)s1 ZINC000883216104 1044237163 /nfs/dbraw/zinc/23/71/63/1044237163.db2.gz LDYFPWZDISCRKR-BBRMVZONSA-N 0 3 301.459 4.075 20 30 DIEDHN CN(CCCCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415234 1044248239 /nfs/dbraw/zinc/24/82/39/1044248239.db2.gz NULBAVAXNPLGTQ-UHFFFAOYSA-N 0 3 310.445 4.229 20 30 DIEDHN C=CCCC[C@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326859 1044274232 /nfs/dbraw/zinc/27/42/32/1044274232.db2.gz LXPDPCLVEQNAEE-OALUTQOASA-N 0 3 309.457 4.485 20 30 DIEDHN C[C@@H](NCc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000035230463 1044284124 /nfs/dbraw/zinc/28/41/24/1044284124.db2.gz GGQFNTBHIUMRQP-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CCO)c1ccccc1 ZINC000360644484 1044293468 /nfs/dbraw/zinc/29/34/68/1044293468.db2.gz ALMHUJDSHASUPO-RTWAWAEBSA-N 0 3 320.436 4.039 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(F)c(F)c1 ZINC000360836932 1044315842 /nfs/dbraw/zinc/31/58/42/1044315842.db2.gz NNDHHGZOJJZIJM-LJQANCHMSA-N 0 3 312.363 4.394 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2scnc2C)cc1 ZINC000132484234 1044324949 /nfs/dbraw/zinc/32/49/49/1044324949.db2.gz PZHLWRVPLKEFOF-LBPRGKRZSA-N 0 3 322.861 4.434 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186293132 1044340881 /nfs/dbraw/zinc/34/08/81/1044340881.db2.gz XWMQSWSKSAIQRW-KRWDZBQOSA-N 0 3 311.454 4.141 20 30 DIEDHN CCCCCCC[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001142007306 1044354350 /nfs/dbraw/zinc/35/43/50/1044354350.db2.gz ZNNDWBOJTHWJMS-KRWDZBQOSA-N 0 3 310.526 4.364 20 30 DIEDHN CCc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000564414261 1044375690 /nfs/dbraw/zinc/37/56/90/1044375690.db2.gz GGTSXUDHUKELDD-UHFFFAOYSA-N 0 3 324.371 4.491 20 30 DIEDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000361510774 1044413495 /nfs/dbraw/zinc/41/34/95/1044413495.db2.gz LEUUOGXZADIJSI-LBPRGKRZSA-N 0 3 321.346 4.109 20 30 DIEDHN CC(C)OCc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000565626426 1044446019 /nfs/dbraw/zinc/44/60/19/1044446019.db2.gz NMZODNMSWZQELT-NRFANRHFSA-N 0 3 320.436 4.260 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745947 1044455607 /nfs/dbraw/zinc/45/56/07/1044455607.db2.gz PXGCSGSUBNNGDS-ACJLOTCBSA-N 0 3 321.380 4.113 20 30 DIEDHN Cc1nn(-c2ccccc2)c(C)c1CN1CCC(CCC#N)CC1 ZINC000566247239 1044479262 /nfs/dbraw/zinc/47/92/62/1044479262.db2.gz IEWKHCVTQRKNCY-UHFFFAOYSA-N 0 3 322.456 4.005 20 30 DIEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cc(C#N)ccc1F ZINC000609915680 1044479540 /nfs/dbraw/zinc/47/95/40/1044479540.db2.gz KDWRNBPAQDRIFE-CYBMUJFWSA-N 0 3 316.807 4.414 20 30 DIEDHN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000041481590 1044494161 /nfs/dbraw/zinc/49/41/61/1044494161.db2.gz ABRRBUUAQORSIM-ZDUSSCGKSA-N 0 3 319.191 4.197 20 30 DIEDHN N#CCCCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000362903005 1044561305 /nfs/dbraw/zinc/56/13/05/1044561305.db2.gz YMCYCVBAQLWVRN-HNNXBMFYSA-N 0 3 307.235 4.280 20 30 DIEDHN N#CCC[C@H](C#N)CNC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000567169744 1044546161 /nfs/dbraw/zinc/54/61/61/1044546161.db2.gz IVRTXZGRXUWVED-TZIWHRDSSA-N 0 3 317.436 4.046 20 30 DIEDHN CCCCCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884825555 1044554537 /nfs/dbraw/zinc/55/45/37/1044554537.db2.gz HYQSVDOXRGJKFF-INIZCTEOSA-N 0 3 322.518 4.362 20 30 DIEDHN Cc1cc(CN2CCC(OCc3ccccc3)CC2)ccc1C#N ZINC000362960202 1044568301 /nfs/dbraw/zinc/56/83/01/1044568301.db2.gz KMZLUPGYJKAKBR-UHFFFAOYSA-N 0 3 320.436 4.048 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2ccccc2C)CCCC1(C)C ZINC000444793297 1044630385 /nfs/dbraw/zinc/63/03/85/1044630385.db2.gz RQQZTGBGLJTQGF-QGZVFWFLSA-N 0 3 300.446 4.000 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000523581521 1044663679 /nfs/dbraw/zinc/66/36/79/1044663679.db2.gz UTQNHZUNWAKRCC-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN Cc1cc2cc(CN[C@@H](C)c3ccc(C#N)c(F)c3)ccc2[nH]1 ZINC000568979638 1044665197 /nfs/dbraw/zinc/66/51/97/1044665197.db2.gz PWOQCMSCNLZLCE-ZDUSSCGKSA-N 0 3 307.372 4.338 20 30 DIEDHN CSc1ccc(CN[C@@H](C)c2sc(C)nc2C)cc1C#N ZINC000886688448 1044682032 /nfs/dbraw/zinc/68/20/32/1044682032.db2.gz RUGHCRJBESZYSZ-JTQLQIEISA-N 0 3 317.483 4.204 20 30 DIEDHN CC[C@@H](N[C@@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799261 1044703199 /nfs/dbraw/zinc/70/31/99/1044703199.db2.gz WVIPPAOJCMFRAV-RTBURBONSA-N 0 3 322.456 4.454 20 30 DIEDHN N#CC1(CN[C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471123 1044760029 /nfs/dbraw/zinc/76/00/29/1044760029.db2.gz JYFBHIZSWUJGQV-UKRRQHHQSA-N 0 3 308.347 4.235 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475633218 1044804368 /nfs/dbraw/zinc/80/43/68/1044804368.db2.gz GEOKKGATTPDLGO-MJVIPROJSA-N 0 3 302.245 4.217 20 30 DIEDHN Cc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000156490589 1044805863 /nfs/dbraw/zinc/80/58/63/1044805863.db2.gz VKMVMISJKSDRLG-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccc(N2CCCC2)c1 ZINC000088764328 1044809550 /nfs/dbraw/zinc/80/95/50/1044809550.db2.gz DMHPLEFFSJOEMM-CQSZACIVSA-N 0 3 311.454 4.071 20 30 DIEDHN CC(C)COc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000573564403 1044912028 /nfs/dbraw/zinc/91/20/28/1044912028.db2.gz SKSXESLDMBTZEK-UHFFFAOYSA-N 0 3 308.425 4.077 20 30 DIEDHN CCOc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848271 1044975938 /nfs/dbraw/zinc/97/59/38/1044975938.db2.gz XXYFOVSJWQTNDO-JLTOFOAXSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCC[C@@H](NCc1csc(C(=O)OC)c1)c1ccccc1 ZINC000411468663 1045011079 /nfs/dbraw/zinc/01/10/79/1045011079.db2.gz CMEDIPUDZKOQLV-MRXNPFEDSA-N 0 3 315.438 4.332 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000575950404 1045020890 /nfs/dbraw/zinc/02/08/90/1045020890.db2.gz BISAQVGYEXKEIB-TZIWHRDSSA-N 0 3 323.436 4.261 20 30 DIEDHN N#Cc1ccc(CN(C[C@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000576209402 1045042938 /nfs/dbraw/zinc/04/29/38/1045042938.db2.gz MHBCQDKMLBKZQL-LJQANCHMSA-N 0 3 310.441 4.014 20 30 DIEDHN CC(C)n1cc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813170 1045081923 /nfs/dbraw/zinc/08/19/23/1045081923.db2.gz MRKBSTGWMCLXAD-YWZLYKJASA-N 0 3 322.456 4.454 20 30 DIEDHN CCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1OC ZINC000447526985 1045137846 /nfs/dbraw/zinc/13/78/46/1045137846.db2.gz CUQMXDAJJREXHV-GOSISDBHSA-N 0 3 324.424 4.206 20 30 DIEDHN C[C@@H]1C[C@H](C)N1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000525996956 1045147946 /nfs/dbraw/zinc/14/79/46/1045147946.db2.gz ZOVIWKNVIOZUMA-IYBDPMFKSA-N 0 3 306.409 4.120 20 30 DIEDHN CC1(C)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588366 1045155215 /nfs/dbraw/zinc/15/52/15/1045155215.db2.gz UBVPOISDDWNFCU-BJJXKVORSA-N 0 3 302.393 4.100 20 30 DIEDHN CC[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)cc1 ZINC000447606822 1045160824 /nfs/dbraw/zinc/16/08/24/1045160824.db2.gz NSJOMDAVUXQJOI-QGZVFWFLSA-N 0 3 320.392 4.017 20 30 DIEDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(C#N)cc1 ZINC000447603956 1045160889 /nfs/dbraw/zinc/16/08/89/1045160889.db2.gz ZQKFYRLKSVQBKQ-QGZVFWFLSA-N 0 3 309.369 4.016 20 30 DIEDHN CC(C)COc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000577803501 1045173036 /nfs/dbraw/zinc/17/30/36/1045173036.db2.gz WFQGUYANKNQUFB-NRFANRHFSA-N 0 3 320.436 4.370 20 30 DIEDHN CCCCCCC[C@@H](C)N1CC(N2CCC(F)(F)CC2)C1 ZINC001258049959 1045175268 /nfs/dbraw/zinc/17/52/68/1045175268.db2.gz QNPVEJDYIXORPB-OAHLLOKOSA-N 0 3 302.453 4.151 20 30 DIEDHN C=CCCCN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000447796692 1045176628 /nfs/dbraw/zinc/17/66/28/1045176628.db2.gz XONBIJBQQJREIV-LJQANCHMSA-N 0 3 308.425 4.231 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000924787360 1045198721 /nfs/dbraw/zinc/19/87/21/1045198721.db2.gz WRWVEDPPIMETKQ-CABCVRRESA-N 0 3 308.425 4.197 20 30 DIEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1cccc(OC)c1OC ZINC000601283356 1045210341 /nfs/dbraw/zinc/21/03/41/1045210341.db2.gz WYWHWIGHWJDIPW-GOSISDBHSA-N 0 3 324.424 4.011 20 30 DIEDHN CC1(C#N)CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000449065389 1045338849 /nfs/dbraw/zinc/33/88/49/1045338849.db2.gz UEJJJLTXZCRCKZ-SYYJFZTOSA-N 0 3 305.425 4.233 20 30 DIEDHN CCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755684 1045339480 /nfs/dbraw/zinc/33/94/80/1045339480.db2.gz ZQDQGRTWOKSPMM-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000528910377 1045427191 /nfs/dbraw/zinc/42/71/91/1045427191.db2.gz REJRZCTZZONWDT-LLVKDONJSA-N 0 3 324.327 4.269 20 30 DIEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000528928855 1045429689 /nfs/dbraw/zinc/42/96/89/1045429689.db2.gz PNIDOOHEQUCCPL-GOEBONIOSA-N 0 3 318.376 4.191 20 30 DIEDHN COc1ccc([C@@H](NC2CCC(C)(C#N)CC2)c2ccco2)cc1 ZINC000449769272 1045435684 /nfs/dbraw/zinc/43/56/84/1045435684.db2.gz DBJPQVIAPAXWIG-NQKNOSNGSA-N 0 3 324.424 4.440 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@]1(C)CCCS1 ZINC000628273185 1045561610 /nfs/dbraw/zinc/56/16/10/1045561610.db2.gz LMPNNCZUGPKPLX-QGZVFWFLSA-N 0 3 307.507 4.128 20 30 DIEDHN N#CC(C(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(F)n1 ZINC001122632687 1045568173 /nfs/dbraw/zinc/56/81/73/1045568173.db2.gz ZHLXFSAEQLTKQW-BCFZYGEVSA-N 0 3 312.388 4.003 20 30 DIEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1C ZINC001122686287 1045568234 /nfs/dbraw/zinc/56/82/34/1045568234.db2.gz SWRSXMXDINGJIY-CYBMUJFWSA-N 0 3 314.410 4.074 20 30 DIEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000190675595 1045598623 /nfs/dbraw/zinc/59/86/23/1045598623.db2.gz IOPJAENKRCYNQU-MRXNPFEDSA-N 0 3 315.420 4.415 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000629202208 1045654303 /nfs/dbraw/zinc/65/43/03/1045654303.db2.gz SVHZVJOGLRFSQO-IAGOWNOFSA-N 0 3 322.452 4.080 20 30 DIEDHN CCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1cc2ccccc2o1 ZINC000191271088 1045673015 /nfs/dbraw/zinc/67/30/15/1045673015.db2.gz JBYZAEJBVPUZCF-CQSZACIVSA-N 0 3 307.397 4.226 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000800991164 1045678074 /nfs/dbraw/zinc/67/80/74/1045678074.db2.gz ZACAEMHIWJCWLV-CYBMUJFWSA-N 0 3 313.832 4.128 20 30 DIEDHN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871061 1045742904 /nfs/dbraw/zinc/74/29/04/1045742904.db2.gz QTRGLGGWECADFY-BEFAXECRSA-N 0 3 305.425 4.180 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000192150098 1045785144 /nfs/dbraw/zinc/78/51/44/1045785144.db2.gz HBEXYEBPRSIRIV-AWEZNQCLSA-N 0 3 312.388 4.335 20 30 DIEDHN C=CC[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860060 1045812030 /nfs/dbraw/zinc/81/20/30/1045812030.db2.gz XZNFCHBOVIAUJK-ROUUACIJSA-N 0 3 300.352 4.254 20 30 DIEDHN C[C@H](C#N)OCCN(Cc1ccccc1Cl)C1CCCC1 ZINC000801918812 1045838583 /nfs/dbraw/zinc/83/85/83/1045838583.db2.gz ZPEZRSQNWRGTJV-CQSZACIVSA-N 0 3 306.837 4.013 20 30 DIEDHN C[C@H](C#N)OCCN[C@H](C)c1ccccc1Oc1ccccc1 ZINC000801938151 1045852769 /nfs/dbraw/zinc/85/27/69/1045852769.db2.gz ZEQABXDWUDHEKX-HZPDHXFCSA-N 0 3 310.397 4.058 20 30 DIEDHN CCNc1ccccc1CNCc1cccc(O[C@H](C#N)CC)c1 ZINC000902244399 1045955093 /nfs/dbraw/zinc/95/50/93/1045955093.db2.gz SZTNFFBMCBWWEQ-SFHVURJKSA-N 0 3 323.440 4.089 20 30 DIEDHN CCNc1ccccc1CNCc1cccc(O[C@@H](C#N)CC)c1 ZINC000902244398 1045955675 /nfs/dbraw/zinc/95/56/75/1045955675.db2.gz SZTNFFBMCBWWEQ-GOSISDBHSA-N 0 3 323.440 4.089 20 30 DIEDHN C#CC[C@@H](NCc1ccc2nc(C)sc2c1)c1ccccc1 ZINC000755211521 1045964716 /nfs/dbraw/zinc/96/47/16/1045964716.db2.gz MKXJMACSUAWBHK-QGZVFWFLSA-N 0 3 306.434 4.459 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c(F)cccc31)CC2 ZINC000453223806 1045992641 /nfs/dbraw/zinc/99/26/41/1045992641.db2.gz BDOWGLSJBMDOCJ-WOJBJXKFSA-N 0 3 306.384 4.352 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1[O-] ZINC000802657017 1046028282 /nfs/dbraw/zinc/02/82/82/1046028282.db2.gz UYCPSDVTBARGKG-UHFFFAOYSA-N 0 3 321.207 4.169 20 30 DIEDHN CCOc1ccc(CN[C@@H](CC)c2cccc(C#N)c2)cc1OC ZINC000902745236 1046058969 /nfs/dbraw/zinc/05/89/69/1046058969.db2.gz MJOZTJAHDSKHLZ-SFHVURJKSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000453386703 1046062320 /nfs/dbraw/zinc/06/23/20/1046062320.db2.gz OYBHCOFRGDSXHR-IBGZPJMESA-N 0 3 324.399 4.218 20 30 DIEDHN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766686 1046067686 /nfs/dbraw/zinc/06/76/86/1046067686.db2.gz PRIRLBCXBVCSNT-HUUCEWRRSA-N 0 3 322.408 4.065 20 30 DIEDHN C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453367184 1046068715 /nfs/dbraw/zinc/06/87/15/1046068715.db2.gz PSQVKATYEKHTJC-HNNXBMFYSA-N 0 3 321.486 4.020 20 30 DIEDHN N#CC(C(=O)CC1CCCC1)c1nc2ccccc2n1C(F)F ZINC000193769091 1046069697 /nfs/dbraw/zinc/06/96/97/1046069697.db2.gz HZEPQPFUBUHSRU-GFCCVEGCSA-N 0 3 317.339 4.188 20 30 DIEDHN N#CC(=C([O-])C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000194087281 1046091990 /nfs/dbraw/zinc/09/19/90/1046091990.db2.gz BECPVLOOVUFZOG-PLSXKVAHSA-N 0 3 319.389 4.045 20 30 DIEDHN N#CC(C(=O)C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000194087281 1046092000 /nfs/dbraw/zinc/09/20/00/1046092000.db2.gz BECPVLOOVUFZOG-PLSXKVAHSA-N 0 3 319.389 4.045 20 30 DIEDHN C=C(C)COCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000532139837 1046105724 /nfs/dbraw/zinc/10/57/24/1046105724.db2.gz SWSYNHMXLYKILB-UHFFFAOYSA-N 0 3 303.377 4.076 20 30 DIEDHN C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000194697825 1046106170 /nfs/dbraw/zinc/10/61/70/1046106170.db2.gz RHOKZHZFWPVNSZ-GFCCVEGCSA-N 0 3 318.779 4.232 20 30 DIEDHN CC[C@H](NC1(c2ccc(OC)cc2)CC1)c1cccc(C#N)c1 ZINC000902911366 1046107782 /nfs/dbraw/zinc/10/77/82/1046107782.db2.gz AFCDMPHYMNXDMK-IBGZPJMESA-N 0 3 306.409 4.297 20 30 DIEDHN CCC[C@@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1cccnc1 ZINC000756709700 1046122647 /nfs/dbraw/zinc/12/26/47/1046122647.db2.gz NPYPGUBHQXGGBL-UYAOXDASSA-N 0 3 323.440 4.394 20 30 DIEDHN CC[C@@H](NCc1cnccc1C(C)(C)C)c1cccc(C#N)c1 ZINC000903018495 1046143117 /nfs/dbraw/zinc/14/31/17/1046143117.db2.gz CWHVZVHPELBWEP-LJQANCHMSA-N 0 3 307.441 4.492 20 30 DIEDHN CC[C@@H](N[C@@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072398 1046155600 /nfs/dbraw/zinc/15/56/00/1046155600.db2.gz KWWJFBBRAMNWDW-UYAOXDASSA-N 0 3 321.424 4.154 20 30 DIEDHN C#CC[C@H](NCc1ccc(OCC=C)c(OC)c1)c1ccccc1 ZINC000756997605 1046157589 /nfs/dbraw/zinc/15/75/89/1046157589.db2.gz ZBIUYVRUSPGXOM-IBGZPJMESA-N 0 3 321.420 4.114 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077526 1046157748 /nfs/dbraw/zinc/15/77/48/1046157748.db2.gz KYPJZMVSLNXFDR-BLLLJJGKSA-N 0 3 321.380 4.207 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097063 1046163290 /nfs/dbraw/zinc/16/32/90/1046163290.db2.gz BUQJMTMBUWGFTI-YWZLYKJASA-N 0 3 324.424 4.113 20 30 DIEDHN CCOc1ccc2ccccc2c1CN1CCC[C@@H](CC#N)C1 ZINC001138443369 1046182602 /nfs/dbraw/zinc/18/26/02/1046182602.db2.gz AGZSDVMCTDQYNQ-INIZCTEOSA-N 0 3 308.425 4.364 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903288326 1046224248 /nfs/dbraw/zinc/22/42/48/1046224248.db2.gz XOOJHFTUDDJMTJ-FZKQIMNGSA-N 0 3 309.369 4.268 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC001138557304 1046224639 /nfs/dbraw/zinc/22/46/39/1046224639.db2.gz FURMUFQKSZROHK-OAQYLSRUSA-N 0 3 321.420 4.044 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC001138557303 1046225701 /nfs/dbraw/zinc/22/57/01/1046225701.db2.gz FURMUFQKSZROHK-NRFANRHFSA-N 0 3 321.420 4.044 20 30 DIEDHN CC(C)Cc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000088715179 1046237211 /nfs/dbraw/zinc/23/72/11/1046237211.db2.gz BEXKOQYPRLJPJT-UHFFFAOYSA-N 0 3 308.425 4.077 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1[O-] ZINC001138628816 1046246721 /nfs/dbraw/zinc/24/67/21/1046246721.db2.gz FXRWYZCQJZCKDQ-HXUWFJFHSA-N 0 3 323.436 4.164 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1[O-] ZINC001138628816 1046246732 /nfs/dbraw/zinc/24/67/32/1046246732.db2.gz FXRWYZCQJZCKDQ-HXUWFJFHSA-N 0 3 323.436 4.164 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1[O-] ZINC001138625179 1046246891 /nfs/dbraw/zinc/24/68/91/1046246891.db2.gz GCYJOVHIOVSEDA-KRWDZBQOSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1[O-] ZINC001138625179 1046246896 /nfs/dbraw/zinc/24/68/96/1046246896.db2.gz GCYJOVHIOVSEDA-KRWDZBQOSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1[O-] ZINC001138628190 1046247301 /nfs/dbraw/zinc/24/73/01/1046247301.db2.gz QHNNMEDRVXGAJJ-KRWDZBQOSA-N 0 3 303.421 4.225 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c1[O-] ZINC001138629306 1046247358 /nfs/dbraw/zinc/24/73/58/1046247358.db2.gz UHDOZFFWQSWZAV-LJQANCHMSA-N 0 3 323.436 4.082 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c1[O-] ZINC001138629306 1046247369 /nfs/dbraw/zinc/24/73/69/1046247369.db2.gz UHDOZFFWQSWZAV-LJQANCHMSA-N 0 3 323.436 4.082 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1[O-] ZINC001138628192 1046248161 /nfs/dbraw/zinc/24/81/61/1046248161.db2.gz QHNNMEDRVXGAJJ-QGZVFWFLSA-N 0 3 303.421 4.225 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC2(CCCOC2)CC1 ZINC001138666240 1046262380 /nfs/dbraw/zinc/26/23/80/1046262380.db2.gz MMXLSXHSLVZKNA-UHFFFAOYSA-N 0 3 315.457 4.034 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245714008 1046262463 /nfs/dbraw/zinc/26/24/63/1046262463.db2.gz GNNRQJIUXNJJEI-RZQQEMMASA-N 0 3 306.409 4.170 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405729 1046267879 /nfs/dbraw/zinc/26/78/79/1046267879.db2.gz QTQPTSLECWNCLW-MGPUTAFESA-N 0 3 322.456 4.357 20 30 DIEDHN N#Cc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)ccc1F ZINC000758714082 1046287403 /nfs/dbraw/zinc/28/74/03/1046287403.db2.gz BEIGYPXYQVQVQH-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN N#Cc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)ccc1F ZINC000758714082 1046287420 /nfs/dbraw/zinc/28/74/20/1046287420.db2.gz BEIGYPXYQVQVQH-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN Cc1cc(F)ccc1[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000832523967 1046336679 /nfs/dbraw/zinc/33/66/79/1046336679.db2.gz JWZNHWGTUOYWMC-FQEVSTJZSA-N 0 3 324.399 4.374 20 30 DIEDHN C[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CC1(F)F ZINC000639181001 1046367267 /nfs/dbraw/zinc/36/72/67/1046367267.db2.gz LZFQXTFGAFAJIM-IMTBSYHQSA-N 0 3 315.232 4.117 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895546 1046484826 /nfs/dbraw/zinc/48/48/26/1046484826.db2.gz BTKZBELZZAETRA-LIRRHRJNSA-N 0 3 309.413 4.008 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914277 1046485806 /nfs/dbraw/zinc/48/58/06/1046485806.db2.gz WMFACJDYJWJVLD-FOIQADDNSA-N 0 3 306.409 4.060 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914288 1046486164 /nfs/dbraw/zinc/48/61/64/1046486164.db2.gz WMFACJDYJWJVLD-YWZLYKJASA-N 0 3 306.409 4.060 20 30 DIEDHN C=CCN(Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139706306 1046501599 /nfs/dbraw/zinc/50/15/99/1046501599.db2.gz QQKZNFQBQSSJSC-UHFFFAOYSA-N 0 3 301.393 4.228 20 30 DIEDHN N#Cc1cccc2c(CN3CCCC4(CC(F)C4)CC3)c[nH]c21 ZINC001139706079 1046501790 /nfs/dbraw/zinc/50/17/90/1046501790.db2.gz KLQZKRRSDCBBPR-UHFFFAOYSA-N 0 3 311.404 4.144 20 30 DIEDHN COc1ccccc1[C@H](C)N(C)Cc1c[nH]c2c1cccc2C#N ZINC001139706317 1046502129 /nfs/dbraw/zinc/50/21/29/1046502129.db2.gz RBUCGWIIEOLNQK-AWEZNQCLSA-N 0 3 319.408 4.241 20 30 DIEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)cc1C#N ZINC001139726245 1046505895 /nfs/dbraw/zinc/50/58/95/1046505895.db2.gz CBJOVYMGSJEXPW-UHFFFAOYSA-N 0 3 315.420 4.118 20 30 DIEDHN Cc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)cc1C#N ZINC001139724501 1046506571 /nfs/dbraw/zinc/50/65/71/1046506571.db2.gz UOZTUICCAWFVMA-UHFFFAOYSA-N 0 3 319.452 4.099 20 30 DIEDHN Cc1ccc(CN2CCC(c3ccccc3F)CC2)cc1C#N ZINC001139724497 1046506608 /nfs/dbraw/zinc/50/66/08/1046506608.db2.gz UKEBWYGBIYEYJW-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C[C@@H](c1ccco1)N(Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000092483938 1046520469 /nfs/dbraw/zinc/52/04/69/1046520469.db2.gz XSULVFWTJZMCPW-INIZCTEOSA-N 0 3 323.440 4.355 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139823425 1046526120 /nfs/dbraw/zinc/52/61/20/1046526120.db2.gz LJMNZYLDNBMUSL-XGBSXSJOSA-N 0 3 323.465 4.385 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1CN1CCC[C@@H](C#N)CC1 ZINC001139823564 1046527480 /nfs/dbraw/zinc/52/74/80/1046527480.db2.gz QZQVMCFGEOHTHH-OAHLLOKOSA-N 0 3 311.454 4.244 20 30 DIEDHN COCC#CCN(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000677817452 1046529348 /nfs/dbraw/zinc/52/93/48/1046529348.db2.gz MEEBAYVAXJXAGA-KRWDZBQOSA-N 0 3 323.436 4.005 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(c2ccccn2)CC1 ZINC000678212931 1046585607 /nfs/dbraw/zinc/58/56/07/1046585607.db2.gz QKTDCFBVRAKZDI-UHFFFAOYSA-N 0 3 308.425 4.026 20 30 DIEDHN C=CCOc1ccccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000678212965 1046586217 /nfs/dbraw/zinc/58/62/17/1046586217.db2.gz RFLWASPGJOVKMI-LJQANCHMSA-N 0 3 309.409 4.294 20 30 DIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000532968124 1046633651 /nfs/dbraw/zinc/63/36/51/1046633651.db2.gz UISLNFRJRMNEFN-INIZCTEOSA-N 0 3 302.462 4.254 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2cc3ccccc3o2)cc1 ZINC000093689158 1046634437 /nfs/dbraw/zinc/63/44/37/1046634437.db2.gz FCPWEIUNCFJSHB-OAHLLOKOSA-N 0 3 320.392 4.356 20 30 DIEDHN COc1cccc(C2=CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000533075087 1046649613 /nfs/dbraw/zinc/64/96/13/1046649613.db2.gz GWLAOFAKHLNACV-MRXNPFEDSA-N 0 3 318.420 4.417 20 30 DIEDHN Cc1scc(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000678640662 1046683347 /nfs/dbraw/zinc/68/33/47/1046683347.db2.gz OEAYDZZNKCLHRK-AWEZNQCLSA-N 0 3 306.390 4.403 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838913 1046685326 /nfs/dbraw/zinc/68/53/26/1046685326.db2.gz IZNAFDUNKOOWMA-YVEFUNNKSA-N 0 3 311.816 4.335 20 30 DIEDHN C#CCCCN1CCC(c2ccccc2Br)CC1 ZINC000784414589 1046690533 /nfs/dbraw/zinc/69/05/33/1046690533.db2.gz KJQDNMLOTHDOBT-UHFFFAOYSA-N 0 3 306.247 4.042 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741932 1046692625 /nfs/dbraw/zinc/69/26/25/1046692625.db2.gz HEDTUOUTJCDBDE-IAGOWNOFSA-N 0 3 308.425 4.113 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741933 1046693103 /nfs/dbraw/zinc/69/31/03/1046693103.db2.gz HEDTUOUTJCDBDE-IRXDYDNUSA-N 0 3 308.425 4.113 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cnccc2C)cc1 ZINC000834886942 1046701071 /nfs/dbraw/zinc/70/10/71/1046701071.db2.gz GFBKXSSYJWXIHK-HNNXBMFYSA-N 0 3 316.832 4.372 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2n1 ZINC000796750216 1046727682 /nfs/dbraw/zinc/72/76/82/1046727682.db2.gz USHSFZAZJZHWOM-KSZLIROESA-N 0 3 312.372 4.215 20 30 DIEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000796800401 1046735571 /nfs/dbraw/zinc/73/55/71/1046735571.db2.gz UDSJVHKVZXUMLR-PBHICJAKSA-N 0 3 322.408 4.313 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846575 1046743913 /nfs/dbraw/zinc/74/39/13/1046743913.db2.gz OBXQHKRNHMDBJX-HZPDHXFCSA-N 0 3 323.795 4.403 20 30 DIEDHN COc1ccc(CN(Cc2ccc(F)cc2)C(C)C)cc1C#N ZINC000533538990 1046747117 /nfs/dbraw/zinc/74/71/17/1046747117.db2.gz GALAXLGSGNCSHT-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN CN(C)c1ccc(/C=C/CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000835041535 1046747172 /nfs/dbraw/zinc/74/71/72/1046747172.db2.gz MUBHHUXBIMRHGI-QQUYBBDPSA-N 0 3 319.452 4.400 20 30 DIEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796355813 1046932808 /nfs/dbraw/zinc/93/28/08/1046932808.db2.gz GZIMMOMNJALYRW-FQEVSTJZSA-N 0 3 322.452 4.162 20 30 DIEDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000303742682 1046953738 /nfs/dbraw/zinc/95/37/38/1046953738.db2.gz IXCMLJJSSDLMQO-YJBOKZPZSA-N 0 3 308.400 4.384 20 30 DIEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000303742676 1046954348 /nfs/dbraw/zinc/95/43/48/1046954348.db2.gz IXCMLJJSSDLMQO-MAUKXSAKSA-N 0 3 308.400 4.384 20 30 DIEDHN N#CCC1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941859 1046955449 /nfs/dbraw/zinc/95/54/49/1046955449.db2.gz WRAGVNVRDVKALL-UHFFFAOYSA-N 0 3 313.832 4.256 20 30 DIEDHN C=CCC[C@@H](C)NCc1c(F)cc(Br)cc1F ZINC001258721549 1046956855 /nfs/dbraw/zinc/95/68/55/1046956855.db2.gz YYZRBEWTFDSBEF-SECBINFHSA-N 0 3 304.178 4.172 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1cccc(-c2ncccn2)c1 ZINC001140981808 1046967548 /nfs/dbraw/zinc/96/75/48/1046967548.db2.gz XJWVIZWAQVPRCN-UHFFFAOYSA-N 0 3 315.420 4.332 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001137408535 1046974776 /nfs/dbraw/zinc/97/47/76/1046974776.db2.gz MITLKTSPHQYPHJ-HKUYNNGSSA-N 0 3 316.489 4.126 20 30 DIEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647376906 1046994595 /nfs/dbraw/zinc/99/45/95/1046994595.db2.gz BLCSLFSSRPRUCP-HNNXBMFYSA-N 0 3 324.405 4.075 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183401 1047038680 /nfs/dbraw/zinc/03/86/80/1047038680.db2.gz FHAHQMZDOFGUGC-UHFFFAOYSA-N 0 3 320.436 4.294 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141184767 1047039074 /nfs/dbraw/zinc/03/90/74/1047039074.db2.gz OJDDHIZRSWLRBX-UHFFFAOYSA-N 0 3 320.436 4.294 20 30 DIEDHN CCCCCCCN(CC)Cc1cc(F)cc2c1OCOC2 ZINC001141394114 1047116499 /nfs/dbraw/zinc/11/64/99/1047116499.db2.gz LTEXGSKMZKRORN-UHFFFAOYSA-N 0 3 309.425 4.485 20 30 DIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000536874229 1047117075 /nfs/dbraw/zinc/11/70/75/1047117075.db2.gz CMJPXRIDECKXGX-LBPRGKRZSA-N 0 3 309.356 4.469 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000537098948 1047136629 /nfs/dbraw/zinc/13/66/29/1047136629.db2.gz BMUHKOMBOODVSI-CQSZACIVSA-N 0 3 303.327 4.408 20 30 DIEDHN N#Cc1ccc(C2=CCN([C@H]3CCc4c3cccc4F)CC2)cc1 ZINC001116436241 1047140584 /nfs/dbraw/zinc/14/05/84/1047140584.db2.gz FTFXCZYWHQOIML-NRFANRHFSA-N 0 3 318.395 4.474 20 30 DIEDHN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CC1(C#N)CC1 ZINC000537247289 1047156217 /nfs/dbraw/zinc/15/62/17/1047156217.db2.gz CCUXJLWVXGPISA-DYESRHJHSA-N 0 3 316.448 4.369 20 30 DIEDHN COc1ccc(CN(CCC(C)(C)C#N)C(C)(C)C)c(OC)c1 ZINC000537364910 1047176688 /nfs/dbraw/zinc/17/66/88/1047176688.db2.gz YCTNRBLLQWCRRT-UHFFFAOYSA-N 0 3 318.461 4.244 20 30 DIEDHN CCC1(c2ccccc2)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839187273 1047202472 /nfs/dbraw/zinc/20/24/72/1047202472.db2.gz TVOIFYFHSKSRCH-QGZVFWFLSA-N 0 3 320.436 4.141 20 30 DIEDHN CN(Cc1c[nH]c2cc(Cl)ccc12)Cc1cccc(C#N)c1 ZINC001141590295 1047207923 /nfs/dbraw/zinc/20/79/23/1047207923.db2.gz ATNHEBMPMDMAMY-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000683007154 1047257112 /nfs/dbraw/zinc/25/71/12/1047257112.db2.gz YLSIKFKSQGRRFU-FGZHOGPDSA-N 0 3 319.448 4.138 20 30 DIEDHN C=C(C)CN(CCc1cccs1)Cc1cnn(C(C)C)c1 ZINC000796453981 1047296127 /nfs/dbraw/zinc/29/61/27/1047296127.db2.gz MZOWOQJCNJBAKX-UHFFFAOYSA-N 0 3 303.475 4.146 20 30 DIEDHN Cc1scc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000399813270 1047330186 /nfs/dbraw/zinc/33/01/86/1047330186.db2.gz KZCQGTXNLFHPGA-ZDUSSCGKSA-N 0 3 300.427 4.118 20 30 DIEDHN C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000841761860 1047455246 /nfs/dbraw/zinc/45/52/46/1047455246.db2.gz LWCYZJDDTLPMNV-XIKOKIGWSA-N 0 3 310.372 4.131 20 30 DIEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc(Cl)n1 ZINC000841893353 1047462235 /nfs/dbraw/zinc/46/22/35/1047462235.db2.gz DLRFDNVTLDCEBK-KRWDZBQOSA-N 0 3 311.816 4.082 20 30 DIEDHN COc1ccccc1[C@H](C)N(C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922798 1047514670 /nfs/dbraw/zinc/51/46/70/1047514670.db2.gz WIYBESYVCTXUHJ-AWEZNQCLSA-N 0 3 319.408 4.241 20 30 DIEDHN N#Cc1ccc2c(CN3CCC4(CC[C@@H](F)C4)CC3)c[nH]c2c1 ZINC001142922878 1047515299 /nfs/dbraw/zinc/51/52/99/1047515299.db2.gz ZKUUWMKKJDKPOA-MRXNPFEDSA-N 0 3 311.404 4.144 20 30 DIEDHN C=C(C)CN(CC)Cc1nccnc1-c1ccc(Cl)cc1 ZINC001142977260 1047521082 /nfs/dbraw/zinc/52/10/82/1047521082.db2.gz TWBJMWASROBXEL-UHFFFAOYSA-N 0 3 301.821 4.195 20 30 DIEDHN CCCCCCCCN(C)Cc1cnc2ccc(Cl)nn12 ZINC001142990697 1047522911 /nfs/dbraw/zinc/52/29/11/1047522911.db2.gz CLQIVIWDGRXZQU-UHFFFAOYSA-N 0 3 308.857 4.175 20 30 DIEDHN C=CCOc1ccccc1CN1CCC[C@H](c2nccs2)C1 ZINC000092788690 1047539015 /nfs/dbraw/zinc/53/90/15/1047539015.db2.gz JRKSNYKCZKWIOF-INIZCTEOSA-N 0 3 314.454 4.088 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCSc3ccccc32)C1 ZINC000237815475 1047595426 /nfs/dbraw/zinc/59/54/26/1047595426.db2.gz FSUOXRLECYYJQA-IPCDKGFNSA-N 0 3 320.461 4.437 20 30 DIEDHN N#C[C@H]1CC[C@H](Nc2nc(N3CCCC3)cc3ccccc32)CC1 ZINC001157055172 1047733546 /nfs/dbraw/zinc/73/35/46/1047733546.db2.gz OMDYSLWGFFCXJN-JCNLHEQBSA-N 0 3 320.440 4.329 20 30 DIEDHN COc1ccc([C@H](C)NCc2cc(Cl)cc(C#N)c2)cc1C ZINC001197622462 1047848967 /nfs/dbraw/zinc/84/89/67/1047848967.db2.gz WCBUBSQYBFEGCE-ZDUSSCGKSA-N 0 3 314.816 4.380 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cnc(Br)cn1 ZINC001183346292 1047921805 /nfs/dbraw/zinc/92/18/05/1047921805.db2.gz VZIYAMYJMSEPPI-GFCCVEGCSA-N 0 3 314.271 4.078 20 30 DIEDHN C[C@@H](CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000479596194 1047942539 /nfs/dbraw/zinc/94/25/39/1047942539.db2.gz XSSXRDZWQHUANJ-ZETCQYMHSA-N 0 3 303.221 4.133 20 30 DIEDHN C#CCN(C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCCc2ccccc21 ZINC001198105806 1047927659 /nfs/dbraw/zinc/92/76/59/1047927659.db2.gz ZJDIBXUGNHROKA-AZUAARDMSA-N 0 3 311.469 4.347 20 30 DIEDHN C[C@@H](CNCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000479576356 1047933993 /nfs/dbraw/zinc/93/39/93/1047933993.db2.gz HCJZXHGOMNEZNU-ZETCQYMHSA-N 0 3 303.221 4.133 20 30 DIEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835000 1047941721 /nfs/dbraw/zinc/94/17/21/1047941721.db2.gz XVOPLRHPMIHKHL-HNNXBMFYSA-N 0 3 312.844 4.108 20 30 DIEDHN C=CCOc1ccc(CNC[C@@H](C)C(F)(F)F)cc1Cl ZINC000479596669 1047942756 /nfs/dbraw/zinc/94/27/56/1047942756.db2.gz ZNFHBJNTHAAANC-SNVBAGLBSA-N 0 3 307.743 4.193 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc(OC)ccc1Br ZINC001198414257 1047953068 /nfs/dbraw/zinc/95/30/68/1047953068.db2.gz JOKMRSJSDKKFTC-CQSZACIVSA-N 0 3 324.262 4.388 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001174771160 1047965417 /nfs/dbraw/zinc/96/54/17/1047965417.db2.gz NPIWMBWBFQYPJZ-YSGRDPCXSA-N 0 3 320.436 4.350 20 30 DIEDHN CCCCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326325 1048029591 /nfs/dbraw/zinc/02/95/91/1048029591.db2.gz CYZPJDIYAZYICL-CZUORRHYSA-N 0 3 310.869 4.205 20 30 DIEDHN CC[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000774845680 1048153997 /nfs/dbraw/zinc/15/39/97/1048153997.db2.gz CXEMRVJYIRYWFP-KRWDZBQOSA-N 0 3 314.816 4.483 20 30 DIEDHN CC(C)P(CCNc1nc(Cl)c(C#N)cc1C#N)C(C)C ZINC001162359079 1048268383 /nfs/dbraw/zinc/26/83/83/1048268383.db2.gz VXXTVJZDODEOLS-UHFFFAOYSA-N 0 3 322.780 4.189 20 30 DIEDHN N#Cc1sccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201475170 1048293200 /nfs/dbraw/zinc/29/32/00/1048293200.db2.gz QPZCUHOSJMEQFQ-SJORKVTESA-N 0 3 321.449 4.352 20 30 DIEDHN C=CCC[C@@H](NCc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC001201556858 1048309328 /nfs/dbraw/zinc/30/93/28/1048309328.db2.gz BJULMKNCSVZXRN-MRXNPFEDSA-N 0 3 308.381 4.331 20 30 DIEDHN Cc1cccc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506994 1048345988 /nfs/dbraw/zinc/34/59/88/1048345988.db2.gz SCJWIYDGIYETSM-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1(F)F ZINC000600184211 1048385489 /nfs/dbraw/zinc/38/54/89/1048385489.db2.gz OCXHOVSBEHJJSJ-HUUCEWRRSA-N 0 3 322.399 4.092 20 30 DIEDHN C=C[C@@H](COC)NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001202094058 1048449567 /nfs/dbraw/zinc/44/95/67/1048449567.db2.gz ZLTDJXUKGJLCDJ-OSICKASQSA-N 0 3 323.436 4.069 20 30 DIEDHN C=C[C@H](COC)NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001202094059 1048449598 /nfs/dbraw/zinc/44/95/98/1048449598.db2.gz ZLTDJXUKGJLCDJ-ROFLEHJCSA-N 0 3 323.436 4.069 20 30 DIEDHN N=C(Nc1cccc2c1CCCO2)c1ccc(C(F)(F)F)cc1 ZINC001163685427 1048502927 /nfs/dbraw/zinc/50/29/27/1048502927.db2.gz NCWWBTVUQNEXIM-UHFFFAOYSA-N 0 3 320.314 4.067 20 30 DIEDHN COc1cc(CNC/C=C\c2cc(C)c(C)cc2C)ccc1C#N ZINC001202300176 1048515699 /nfs/dbraw/zinc/51/56/99/1048515699.db2.gz VEWGPVHSXYBZQX-WAYWQWQTSA-N 0 3 320.436 4.295 20 30 DIEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000850312202 1048632556 /nfs/dbraw/zinc/63/25/56/1048632556.db2.gz DBKLYNWINIXRBW-AWEZNQCLSA-N 0 3 321.380 4.001 20 30 DIEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2C(C)C)sc1C ZINC000160112749 1048639512 /nfs/dbraw/zinc/63/95/12/1048639512.db2.gz UDJMFFDETOQZGA-AWEZNQCLSA-N 0 3 313.426 4.129 20 30 DIEDHN CCc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000160159639 1048645824 /nfs/dbraw/zinc/64/58/24/1048645824.db2.gz RSNNYJHQEMOTQD-AWEZNQCLSA-N 0 3 313.426 4.075 20 30 DIEDHN CCc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000160158395 1048645914 /nfs/dbraw/zinc/64/59/14/1048645914.db2.gz HHBJQINUDBZBIJ-CQSZACIVSA-N 0 3 321.405 4.105 20 30 DIEDHN CCN(CC)C(=O)[C@@H](C)NC#C[Si](C(C)C)(C(C)C)C(C)C ZINC001164610602 1048649269 /nfs/dbraw/zinc/64/92/69/1048649269.db2.gz VAXSDVUHGSGZIR-QGZVFWFLSA-N 0 3 324.585 4.012 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850427957 1048654102 /nfs/dbraw/zinc/65/41/02/1048654102.db2.gz IKPBLEXFZNBUDJ-LSDHHAIUSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549596 1048689551 /nfs/dbraw/zinc/68/95/51/1048689551.db2.gz HMLUIKUTTUKCCH-OCCSQVGLSA-N 0 3 302.393 4.143 20 30 DIEDHN N#CC(C(=O)CC1(C#N)CCCCC1)c1ccc2ccccc2n1 ZINC000850740977 1048704813 /nfs/dbraw/zinc/70/48/13/1048704813.db2.gz CKRZFWHPPNMPNV-MRXNPFEDSA-N 0 3 317.392 4.275 20 30 DIEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128771459 1048719865 /nfs/dbraw/zinc/71/98/65/1048719865.db2.gz SQVCJAJGTOJDTC-QGZVFWFLSA-N 0 3 322.408 4.458 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc2ccccc2c1 ZINC000775382929 1048731811 /nfs/dbraw/zinc/73/18/11/1048731811.db2.gz QWKDUIPFHRTCNR-OAQYLSRUSA-N 0 3 313.404 4.274 20 30 DIEDHN CCN(Cc1c(C)cc(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001190476135 1048738216 /nfs/dbraw/zinc/73/82/16/1048738216.db2.gz OIASOXXWIVDVPM-KRWDZBQOSA-N 0 3 307.441 4.462 20 30 DIEDHN C=CCN(CCc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC001190456913 1048741841 /nfs/dbraw/zinc/74/18/41/1048741841.db2.gz FBPQNOGJMKKXRT-UHFFFAOYSA-N 0 3 317.379 4.204 20 30 DIEDHN C#CC[C@@H](NCc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 ZINC000775400189 1048765236 /nfs/dbraw/zinc/76/52/36/1048765236.db2.gz XFSVCXOHOXUCFP-HXUWFJFHSA-N 0 3 321.420 4.106 20 30 DIEDHN C#CC[C@@H](NCc1cc(F)cc2cccnc21)c1ccccc1 ZINC000775405906 1048771223 /nfs/dbraw/zinc/77/12/23/1048771223.db2.gz YRXWHTYVMPZFNI-LJQANCHMSA-N 0 3 304.368 4.228 20 30 DIEDHN C=C(Cl)CN[C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775412837 1048786570 /nfs/dbraw/zinc/78/65/70/1048786570.db2.gz XXZLZBOMPNAIEE-OAHLLOKOSA-N 0 3 322.880 4.084 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1ccn(CCc2ccccc2)n1 ZINC001176771952 1048790031 /nfs/dbraw/zinc/79/00/31/1048790031.db2.gz ZAZLAVZUBHPWIU-FQEVSTJZSA-N 0 3 309.457 4.056 20 30 DIEDHN COc1ccc([C@@H](C)NCCC2(C#N)CCCCC2)c(OC)c1 ZINC001176932379 1048803606 /nfs/dbraw/zinc/80/36/06/1048803606.db2.gz JHBJJEPZBCCYEA-OAHLLOKOSA-N 0 3 316.445 4.219 20 30 DIEDHN C=CCN(Cc1cc(C(=O)OC)sc1C)CC1CCCCC1 ZINC001190983354 1048811625 /nfs/dbraw/zinc/81/16/25/1048811625.db2.gz BWRKVDVCOMCLQD-UHFFFAOYSA-N 0 3 321.486 4.411 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000852302950 1048832511 /nfs/dbraw/zinc/83/25/11/1048832511.db2.gz ITMBOGVMSUYWMC-BBRMVZONSA-N 0 3 315.392 4.100 20 30 DIEDHN CCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000483703458 1048842149 /nfs/dbraw/zinc/84/21/49/1048842149.db2.gz XUWLKYWGNFAVBM-LJQANCHMSA-N 0 3 323.415 4.382 20 30 DIEDHN CCCCCCCNC(=O)Nc1ccccc1CN1CCCC1 ZINC001191104353 1048850572 /nfs/dbraw/zinc/85/05/72/1048850572.db2.gz AMTZEZFPZLMNHI-UHFFFAOYSA-N 0 3 317.477 4.374 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@H](OC(C)(C)C)C2)c([O-])c1 ZINC000852998865 1048866769 /nfs/dbraw/zinc/86/67/69/1048866769.db2.gz SNXPFOTUDDBBHJ-CGAUYYNMSA-N 0 3 318.461 4.003 20 30 DIEDHN N#Cc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1F ZINC000483955634 1048886905 /nfs/dbraw/zinc/88/69/05/1048886905.db2.gz DESUCNWIFYRMDV-FQEVSTJZSA-N 0 3 306.384 4.349 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)c(F)c1 ZINC000853242765 1048893165 /nfs/dbraw/zinc/89/31/65/1048893165.db2.gz RYOFPFHMMBBZAU-ZIAGYGMSSA-N 0 3 324.399 4.434 20 30 DIEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CC[C@@H]1C(F)(F)F ZINC000484358526 1048926782 /nfs/dbraw/zinc/92/67/82/1048926782.db2.gz HBXYQGBPLRKRQB-HNNXBMFYSA-N 0 3 310.363 4.163 20 30 DIEDHN C[C@H](Cc1cccs1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001191464245 1048954287 /nfs/dbraw/zinc/95/42/87/1048954287.db2.gz JVPZJHURWZLUGA-CQSZACIVSA-N 0 3 303.858 4.316 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001177879205 1048962743 /nfs/dbraw/zinc/96/27/43/1048962743.db2.gz BJMZUVHOQOYPPZ-ZSBDSZQGSA-N 0 3 320.521 4.378 20 30 DIEDHN C[C@@H]1OC2(CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC001203764830 1048992779 /nfs/dbraw/zinc/99/27/79/1048992779.db2.gz NRDLOQBVBQAMTC-INIZCTEOSA-N 0 3 318.420 4.141 20 30 DIEDHN N#CCCOCCN(Cc1ccccc1Cl)C1CCCC1 ZINC000338965338 1049003955 /nfs/dbraw/zinc/00/39/55/1049003955.db2.gz VLDWRYTZDRZEPQ-UHFFFAOYSA-N 0 3 306.837 4.015 20 30 DIEDHN C=CCOc1cccc(CN[C@@H]2CCCc3nc(C)sc32)c1 ZINC001178285836 1049011356 /nfs/dbraw/zinc/01/13/56/1049011356.db2.gz ULYYRDNGCKLVQD-MRXNPFEDSA-N 0 3 314.454 4.184 20 30 DIEDHN C#CCCOc1ccc(CNC(C)(C)c2ccccc2OC)cc1 ZINC000113335108 1049034559 /nfs/dbraw/zinc/03/45/59/1049034559.db2.gz PBARGFYPCVZTSY-UHFFFAOYSA-N 0 3 323.436 4.122 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccc(OCC)c2)cc1 ZINC000113330682 1049034681 /nfs/dbraw/zinc/03/46/81/1049034681.db2.gz QVKFDXOOZONWTG-KRWDZBQOSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(C3CCC3)cc2)cc1 ZINC001178488181 1049045481 /nfs/dbraw/zinc/04/54/81/1049045481.db2.gz QHADJDVSYYSYDA-UHFFFAOYSA-N 0 3 305.421 4.256 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2ncccc2c1 ZINC001178640449 1049064689 /nfs/dbraw/zinc/06/46/89/1049064689.db2.gz UQYQVSUACWULLM-UHFFFAOYSA-N 0 3 301.393 4.013 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C[C@@H]1C1CCCC1 ZINC001204088825 1049082003 /nfs/dbraw/zinc/08/20/03/1049082003.db2.gz HNGXKRYQMLNXRZ-HZPDHXFCSA-N 0 3 317.860 4.268 20 30 DIEDHN N#CCCOCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000338996655 1049096747 /nfs/dbraw/zinc/09/67/47/1049096747.db2.gz GFZFADCOVPMDRK-QGZVFWFLSA-N 0 3 306.837 4.187 20 30 DIEDHN C#Cc1cccc(CNCc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001178950937 1049112923 /nfs/dbraw/zinc/11/29/23/1049112923.db2.gz WBMZIIMFLUYNMA-UHFFFAOYSA-N 0 3 305.421 4.061 20 30 DIEDHN C=CCOc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC001204298077 1049132930 /nfs/dbraw/zinc/13/29/30/1049132930.db2.gz VJWVEFNYFOGJML-UHFFFAOYSA-N 0 3 323.436 4.295 20 30 DIEDHN C#CC1(NCc2cc(Br)c(Cl)s2)CCCC1 ZINC001179438380 1049164330 /nfs/dbraw/zinc/16/43/30/1049164330.db2.gz UHVSSVSCPCNUOT-UHFFFAOYSA-N 0 3 318.667 4.200 20 30 DIEDHN C#CCN(Cc1ccc(F)cc1)CC(C)(C)Oc1ccccc1 ZINC001204488110 1049174584 /nfs/dbraw/zinc/17/45/84/1049174584.db2.gz IUZDHYJPBOPYHX-UHFFFAOYSA-N 0 3 311.400 4.119 20 30 DIEDHN COc1ccc2ccccc2c1CNCc1ccc(C)c(C#N)c1 ZINC001179562822 1049176928 /nfs/dbraw/zinc/17/69/28/1049176928.db2.gz SIFUPXNCWHHKFO-UHFFFAOYSA-N 0 3 316.404 4.318 20 30 DIEDHN C#CCN(Cc1ccc2ccc(F)c(F)c2n1)C1CCCCC1 ZINC001204495934 1049176900 /nfs/dbraw/zinc/17/69/00/1049176900.db2.gz CJGMQYUBDOAQMF-UHFFFAOYSA-N 0 3 314.379 4.281 20 30 DIEDHN CCN(Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(OC)c1 ZINC001179913829 1049238787 /nfs/dbraw/zinc/23/87/87/1049238787.db2.gz JNMKLAOEVWAVSL-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858484468 1049264182 /nfs/dbraw/zinc/26/41/82/1049264182.db2.gz RZOBQAHDNCTAPO-IIBYNOLFSA-N 0 3 320.436 4.286 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858484467 1049265070 /nfs/dbraw/zinc/26/50/70/1049265070.db2.gz RZOBQAHDNCTAPO-IERDGZPVSA-N 0 3 320.436 4.286 20 30 DIEDHN C=CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])CC1CCCCC1 ZINC001204924172 1049313626 /nfs/dbraw/zinc/31/36/26/1049313626.db2.gz SJGZSARMXQIMKB-UHFFFAOYSA-N 0 3 303.446 4.278 20 30 DIEDHN C=CC[N@H+](Cc1c(C)cc(OC)cc1[O-])CC1CCCCC1 ZINC001204924172 1049313637 /nfs/dbraw/zinc/31/36/37/1049313637.db2.gz SJGZSARMXQIMKB-UHFFFAOYSA-N 0 3 303.446 4.278 20 30 DIEDHN C#CCN(Cc1cc2ccncc2s1)[C@H]1CCc2ccccc21 ZINC001180296733 1049338807 /nfs/dbraw/zinc/33/88/07/1049338807.db2.gz KZDRGQNPRVLOLT-IBGZPJMESA-N 0 3 318.445 4.419 20 30 DIEDHN CC(C)(C#N)c1ccc(CNCc2ccc3cccnc3c2)cc1 ZINC001203362779 1049359206 /nfs/dbraw/zinc/35/92/06/1049359206.db2.gz GZJRPQGICPCPPN-UHFFFAOYSA-N 0 3 315.420 4.326 20 30 DIEDHN Cc1cc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)ccc1F ZINC001205192848 1049407411 /nfs/dbraw/zinc/40/74/11/1049407411.db2.gz HOCOFOGMPFCVER-IBGZPJMESA-N 0 3 324.399 4.049 20 30 DIEDHN C=C[C@](C)(O)CN(Cc1ccc(Cl)cc1Cl)C(C)C ZINC001252555945 1049414499 /nfs/dbraw/zinc/41/44/99/1049414499.db2.gz BLUWBSYXHRDCSB-HNNXBMFYSA-N 0 3 302.245 4.141 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2C)c(C)c1OC ZINC000588215980 1049449092 /nfs/dbraw/zinc/44/90/92/1049449092.db2.gz MTEKOJHBUPRKQR-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN Cc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1C#N ZINC000486716252 1049459893 /nfs/dbraw/zinc/45/98/93/1049459893.db2.gz YFRQEIWMRMJNEI-UHFFFAOYSA-N 0 3 323.396 4.186 20 30 DIEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1C(C)(C)C ZINC001205397208 1049460429 /nfs/dbraw/zinc/46/04/29/1049460429.db2.gz POLJVHLLHFGQSI-UHFFFAOYSA-N 0 3 300.446 4.118 20 30 DIEDHN Cc1cc(CN(C)Cc2ccccc2N2CCCC2)ccc1C#N ZINC000486800747 1049476787 /nfs/dbraw/zinc/47/67/87/1049476787.db2.gz SSTJVHBTQJMLJA-UHFFFAOYSA-N 0 3 319.452 4.099 20 30 DIEDHN C=CCCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001205471516 1049479540 /nfs/dbraw/zinc/47/95/40/1049479540.db2.gz NXLWREBXIQDAKP-UHFFFAOYSA-N 0 3 303.189 4.348 20 30 DIEDHN COc1cccc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001205502297 1049487723 /nfs/dbraw/zinc/48/77/23/1049487723.db2.gz PBYNXTBRFZBRPX-QGZVFWFLSA-N 0 3 324.399 4.086 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862439992 1049493676 /nfs/dbraw/zinc/49/36/76/1049493676.db2.gz DAICSZCNKVHLOL-CYBMUJFWSA-N 0 3 318.852 4.064 20 30 DIEDHN C=CCCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001195423749 1049528949 /nfs/dbraw/zinc/52/89/49/1049528949.db2.gz FRTCFHOAJZQBRT-OWCLPIDISA-N 0 3 310.482 4.061 20 30 DIEDHN C#CC[C@H]1CCCN([C@@H](C)c2ccccc2Br)C1 ZINC001195463194 1049529793 /nfs/dbraw/zinc/52/97/93/1049529793.db2.gz JABGUZNQKISRBZ-KBPBESRZSA-N 0 3 306.247 4.245 20 30 DIEDHN C=CCC[C@H](CC)NCc1nc2ccc(Br)cc2o1 ZINC001182063387 1049567862 /nfs/dbraw/zinc/56/78/62/1049567862.db2.gz UVPJMDSVGYLAOO-LBPRGKRZSA-N 0 3 323.234 4.425 20 30 DIEDHN C[C@@H]1C[C@@H](NC2CC(C#N)(c3ccccc3)C2)c2ccccc2O1 ZINC001205898696 1049593762 /nfs/dbraw/zinc/59/37/62/1049593762.db2.gz UMXDSVBARKHWNI-YIBJRNTDSA-N 0 3 318.420 4.112 20 30 DIEDHN C=CC[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946745 1049598248 /nfs/dbraw/zinc/59/82/48/1049598248.db2.gz MVSKYFSPDHSTRL-WBMJQRKESA-N 0 3 314.256 4.315 20 30 DIEDHN Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)ccc1C#N ZINC000488120548 1049603754 /nfs/dbraw/zinc/60/37/54/1049603754.db2.gz DTNGKGVHYVRCLX-UHFFFAOYSA-N 0 3 313.404 4.028 20 30 DIEDHN CCC#C[C@H](C)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001196014079 1049604439 /nfs/dbraw/zinc/60/44/39/1049604439.db2.gz PXYMHWUWMFSIBK-HNNXBMFYSA-N 0 3 318.530 4.497 20 30 DIEDHN C=CCN(Cc1ccc(OC(C)C)c(Cl)c1)[C@H](C)COC ZINC001196047647 1049609151 /nfs/dbraw/zinc/60/91/51/1049609151.db2.gz ALLUKNKFVALFIJ-CQSZACIVSA-N 0 3 311.853 4.150 20 30 DIEDHN CC[C@H](NCc1ccccc1N(C)CC)c1ccc(C#N)cc1 ZINC000774172955 1049617396 /nfs/dbraw/zinc/61/73/96/1049617396.db2.gz FWAPLJWUOTZRCW-IBGZPJMESA-N 0 3 307.441 4.255 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774375954 1049653594 /nfs/dbraw/zinc/65/35/94/1049653594.db2.gz HCOILSOUQUDQAQ-SNVBAGLBSA-N 0 3 320.223 4.298 20 30 DIEDHN Cc1nc(C)c(CN2CCC(C#Cc3ccccc3)CC2)s1 ZINC001206192230 1049681189 /nfs/dbraw/zinc/68/11/89/1049681189.db2.gz NRLQEKCZNZLCSY-UHFFFAOYSA-N 0 3 310.466 4.024 20 30 DIEDHN Cc1cnc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)s1 ZINC000489010595 1049717004 /nfs/dbraw/zinc/71/70/04/1049717004.db2.gz JLJHISIFBXUBEB-UHFFFAOYSA-N 0 3 311.454 4.011 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2c1cccc2O ZINC000571137906 1049922773 /nfs/dbraw/zinc/92/27/73/1049922773.db2.gz JKMFDLPQPDJRKW-PMACEKPBSA-N 0 3 318.420 4.308 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000156592249 1049933669 /nfs/dbraw/zinc/93/36/69/1049933669.db2.gz NZEAUYVVVRWGQJ-LPHOPBHVSA-N 0 3 324.424 4.314 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000156592627 1049933739 /nfs/dbraw/zinc/93/37/39/1049933739.db2.gz NZEAUYVVVRWGQJ-VQIMIIECSA-N 0 3 324.424 4.314 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC001207894193 1049949968 /nfs/dbraw/zinc/94/99/68/1049949968.db2.gz CWAUSCBRSHVIGE-UWJYYQICSA-N 0 3 320.436 4.300 20 30 DIEDHN CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1Cl ZINC000571826325 1049967048 /nfs/dbraw/zinc/96/70/48/1049967048.db2.gz MIRIOOXDCOLBBN-UHFFFAOYSA-N 0 3 314.816 4.209 20 30 DIEDHN CN(Cc1cc(F)ccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982932 1050015780 /nfs/dbraw/zinc/01/57/80/1050015780.db2.gz VPURHXMCRIRELW-OTVXOJSOSA-N 0 3 314.326 4.250 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337128 1050027861 /nfs/dbraw/zinc/02/78/61/1050027861.db2.gz IDZBPIUOCQJCBE-VLIAUNLRSA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000589517068 1050042323 /nfs/dbraw/zinc/04/23/23/1050042323.db2.gz SGKWIDKJQUHIJU-CQSZACIVSA-N 0 3 308.347 4.199 20 30 DIEDHN C=CCCCCCCCN1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001209441326 1050059116 /nfs/dbraw/zinc/05/91/16/1050059116.db2.gz HUQBNXYQTWBTAC-UHFFFAOYSA-N 0 3 324.509 4.360 20 30 DIEDHN C=CCCCCCCN1CCN(c2nccc3occc32)CC1 ZINC001209435817 1050059477 /nfs/dbraw/zinc/05/94/77/1050059477.db2.gz JVFCUBDJEPJYPZ-UHFFFAOYSA-N 0 3 313.445 4.086 20 30 DIEDHN C=CCCCCCCN1CCCn2cnc(COC(C)C)c2C1 ZINC001209436872 1050059872 /nfs/dbraw/zinc/05/98/72/1050059872.db2.gz CISZBRXOZAFRFD-UHFFFAOYSA-N 0 3 319.493 4.150 20 30 DIEDHN C=C(C)CN(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000591082876 1050122092 /nfs/dbraw/zinc/12/20/92/1050122092.db2.gz ZOABAKPVMHWMBI-ZDUSSCGKSA-N 0 3 312.276 4.494 20 30 DIEDHN C=CC[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccncc1 ZINC000823887679 1050165819 /nfs/dbraw/zinc/16/58/19/1050165819.db2.gz NFJHIQXKUXNZKY-GOSISDBHSA-N 0 3 324.424 4.040 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171036477 1050167711 /nfs/dbraw/zinc/16/77/11/1050167711.db2.gz GPFWCBIPQPEDGK-SFHVURJKSA-N 0 3 322.839 4.127 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000824535724 1050220628 /nfs/dbraw/zinc/22/06/28/1050220628.db2.gz VMVUSMHKCLKWOO-UHFFFAOYSA-N 0 3 324.399 4.021 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000573668763 1050233324 /nfs/dbraw/zinc/23/33/24/1050233324.db2.gz PHMJTKZGVQXBFV-QGPMSJSTSA-N 0 3 315.848 4.399 20 30 DIEDHN CC1(C#N)CCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171088505 1050306916 /nfs/dbraw/zinc/30/69/16/1050306916.db2.gz VZVIGKLBYQTVGQ-AWEZNQCLSA-N 0 3 323.267 4.476 20 30 DIEDHN C=CCN(Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C1CC1 ZINC000772381383 1050354665 /nfs/dbraw/zinc/35/46/65/1050354665.db2.gz KGTRHKYNKYVJAP-UHFFFAOYSA-N 0 3 311.425 4.375 20 30 DIEDHN C=CCN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000772380481 1050356566 /nfs/dbraw/zinc/35/65/66/1050356566.db2.gz FMDSXZAIZYVKGV-UHFFFAOYSA-N 0 3 302.418 4.184 20 30 DIEDHN CC(C)(C)[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735309566 1050372268 /nfs/dbraw/zinc/37/22/68/1050372268.db2.gz PCSQZUBCSDGJAR-MRXNPFEDSA-N 0 3 306.837 4.253 20 30 DIEDHN CC(C)(C)[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735309565 1050373803 /nfs/dbraw/zinc/37/38/03/1050373803.db2.gz PCSQZUBCSDGJAR-INIZCTEOSA-N 0 3 306.837 4.253 20 30 DIEDHN CC1(C)C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673734 1050434348 /nfs/dbraw/zinc/43/43/48/1050434348.db2.gz IMHVKGODMRYFQG-NOLJZWGESA-N 0 3 302.393 4.100 20 30 DIEDHN CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000046441643 1050453636 /nfs/dbraw/zinc/45/36/36/1050453636.db2.gz GEUGXVOSKWZVJB-CQSZACIVSA-N 0 3 322.389 4.185 20 30 DIEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000594395427 1050506549 /nfs/dbraw/zinc/50/65/49/1050506549.db2.gz FKYQNAKNFZYPCK-UHFFFAOYSA-N 0 3 316.489 4.059 20 30 DIEDHN CCOc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594495979 1050518652 /nfs/dbraw/zinc/51/86/52/1050518652.db2.gz GEIZAPINWHPYOO-UHFFFAOYSA-N 0 3 308.425 4.176 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000594496889 1050519294 /nfs/dbraw/zinc/51/92/94/1050519294.db2.gz YSRVAJUYLNQJLP-LJQANCHMSA-N 0 3 308.400 4.404 20 30 DIEDHN COc1ccc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594514661 1050526205 /nfs/dbraw/zinc/52/62/05/1050526205.db2.gz KUAQZWVUEODPHH-CQSZACIVSA-N 0 3 324.399 4.436 20 30 DIEDHN COc1cccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594512215 1050526899 /nfs/dbraw/zinc/52/68/99/1050526899.db2.gz CEZDNLBPDZNRKP-HNNXBMFYSA-N 0 3 306.409 4.297 20 30 DIEDHN N#Cc1ccc(-c2ccn(CN3CCC4(CCCC4)CC3)n2)cc1 ZINC000738282271 1050527504 /nfs/dbraw/zinc/52/75/04/1050527504.db2.gz DCBDRAIPMRRFOW-UHFFFAOYSA-N 0 3 320.440 4.035 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519711 1050529198 /nfs/dbraw/zinc/52/91/98/1050529198.db2.gz XYZACEZJBTWYSZ-GXTWGEPZSA-N 0 3 324.346 4.246 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N1CCCN(CC)CC1 ZINC001144387209 1050556910 /nfs/dbraw/zinc/55/69/10/1050556910.db2.gz BZEAZSURQHCKFX-GOSISDBHSA-N 0 3 310.526 4.317 20 30 DIEDHN N#CC(C(=O)CC/C=C/c1ccccc1)c1nc2ccccc2[nH]1 ZINC000739141789 1050560654 /nfs/dbraw/zinc/56/06/54/1050560654.db2.gz CIXMNMKQSXOXTQ-WJXUGBSRSA-N 0 3 315.376 4.233 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cccs1 ZINC000739143901 1050560778 /nfs/dbraw/zinc/56/07/78/1050560778.db2.gz RYNGXWCRCKYKSU-GHMZBOCLSA-N 0 3 312.419 4.338 20 30 DIEDHN COc1cccc(C2(NCc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000594931198 1050565834 /nfs/dbraw/zinc/56/58/34/1050565834.db2.gz DXIUFBQCYPBNTB-UHFFFAOYSA-N 0 3 318.420 4.029 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1c(F)cccc1Cl ZINC001171178406 1050568051 /nfs/dbraw/zinc/56/80/51/1050568051.db2.gz GCIHHSQMHNFGGB-LBPRGKRZSA-N 0 3 302.780 4.072 20 30 DIEDHN Cc1ccc2cc(CNC(C)(C)c3cccc(C#N)c3)[nH]c2c1 ZINC000594969288 1050574478 /nfs/dbraw/zinc/57/44/78/1050574478.db2.gz NXAATVXBKQGMJR-UHFFFAOYSA-N 0 3 303.409 4.373 20 30 DIEDHN CCc1cccc2cc(CNCc3ccc(CC#N)cc3)oc21 ZINC000594951156 1050580593 /nfs/dbraw/zinc/58/05/93/1050580593.db2.gz SBMOKBHKYAQXCR-UHFFFAOYSA-N 0 3 304.393 4.351 20 30 DIEDHN Cc1cc2cc(NC(=N)c3ccc4cc(O)ccc4c3)ccc2[nH]1 ZINC001171182910 1050581130 /nfs/dbraw/zinc/58/11/30/1050581130.db2.gz WMSNLLLTLLXQSA-UHFFFAOYSA-N 0 3 315.376 4.372 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(CC#N)cc2)c(C)c1 ZINC000594951192 1050581394 /nfs/dbraw/zinc/58/13/94/1050581394.db2.gz SUNPRJGWZJUNAD-UHFFFAOYSA-N 0 3 308.425 4.140 20 30 DIEDHN Cc1ccc2cc(CNC3(c4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000594954837 1050582018 /nfs/dbraw/zinc/58/20/18/1050582018.db2.gz KUXGBODUXLXXCI-UHFFFAOYSA-N 0 3 301.393 4.127 20 30 DIEDHN CC[C@H]1c2ccsc2CCN1CCOc1cccc(C#N)c1 ZINC000059384343 1050583312 /nfs/dbraw/zinc/58/33/12/1050583312.db2.gz SWFZYTXEOATCKR-KRWDZBQOSA-N 0 3 312.438 4.008 20 30 DIEDHN CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1F ZINC000594967622 1050584644 /nfs/dbraw/zinc/58/46/44/1050584644.db2.gz FVUIZJRCZKKNLK-UHFFFAOYSA-N 0 3 312.388 4.121 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCCC1)c1cnc2ccccc2n1 ZINC000845530202 1050590721 /nfs/dbraw/zinc/59/07/21/1050590721.db2.gz DQUIKJFUGSLXRF-YUQCYMQKSA-N 0 3 319.408 4.333 20 30 DIEDHN C=CCCSCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000595058688 1050594578 /nfs/dbraw/zinc/59/45/78/1050594578.db2.gz JFCMQUINZJVUBE-LBPRGKRZSA-N 0 3 323.893 4.187 20 30 DIEDHN C=CCCSCCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000595058687 1050594918 /nfs/dbraw/zinc/59/49/18/1050594918.db2.gz JFCMQUINZJVUBE-GFCCVEGCSA-N 0 3 323.893 4.187 20 30 DIEDHN COc1cccc(C2(N[C@@H](C)c3ccc(C#N)c(F)c3)CCC2)c1 ZINC000595094329 1050612078 /nfs/dbraw/zinc/61/20/78/1050612078.db2.gz WVRFOORGOOGLOG-AWEZNQCLSA-N 0 3 324.399 4.436 20 30 DIEDHN COc1cccc(C2(N[C@H]3CCc4ccc(C#N)cc43)CCC2)c1 ZINC000595094274 1050612092 /nfs/dbraw/zinc/61/20/92/1050612092.db2.gz USBYUNFLZWKKJL-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3c2CCC3)c1 ZINC000845935615 1050637483 /nfs/dbraw/zinc/63/74/83/1050637483.db2.gz BALUZFUNAIZEPQ-IBGZPJMESA-N 0 3 320.436 4.146 20 30 DIEDHN Cc1cccc(Cl)c1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000788081518 1050649884 /nfs/dbraw/zinc/64/98/84/1050649884.db2.gz QDPPJBCITKNGST-CYBMUJFWSA-N 0 3 324.767 4.209 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595613316 1050657678 /nfs/dbraw/zinc/65/76/78/1050657678.db2.gz AUZHUZBKAWTKAC-GOSISDBHSA-N 0 3 320.436 4.391 20 30 DIEDHN CCc1oc2ccccc2c1CNCc1ccc(OC)c(C#N)c1 ZINC000746741490 1050663305 /nfs/dbraw/zinc/66/33/05/1050663305.db2.gz MUBBTFXJAONDAR-UHFFFAOYSA-N 0 3 320.392 4.165 20 30 DIEDHN COc1cccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c1O ZINC000846156976 1050674343 /nfs/dbraw/zinc/67/43/43/1050674343.db2.gz QODOQJVQOBEJRS-RHSMWYFYSA-N 0 3 310.397 4.096 20 30 DIEDHN CCC(CC)(CNCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000596063346 1050686443 /nfs/dbraw/zinc/68/64/43/1050686443.db2.gz LUQCERFTDBGRIU-UHFFFAOYSA-N 0 3 317.433 4.001 20 30 DIEDHN CCN(Cc1cccc(F)c1F)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171228668 1050721917 /nfs/dbraw/zinc/72/19/17/1050721917.db2.gz HWDATVVPLGEJIQ-AWEZNQCLSA-N 0 3 314.379 4.290 20 30 DIEDHN CC1(C)CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000741804268 1050746842 /nfs/dbraw/zinc/74/68/42/1050746842.db2.gz HQIQZQCNZYGOGS-UHFFFAOYSA-N 0 3 306.837 4.254 20 30 DIEDHN C#CCN(CCCOc1cccc(Cl)c1)Cc1ccccc1 ZINC001170093687 1050766313 /nfs/dbraw/zinc/76/63/13/1050766313.db2.gz CXCBDKSOLXBKRS-UHFFFAOYSA-N 0 3 313.828 4.244 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1 ZINC000788973521 1050766705 /nfs/dbraw/zinc/76/67/05/1050766705.db2.gz TXWGSDPOZRMKQF-CYBMUJFWSA-N 0 3 302.805 4.151 20 30 DIEDHN N#CCOc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000772958175 1050794645 /nfs/dbraw/zinc/79/46/45/1050794645.db2.gz CPMJSFALNAQBGT-GOSISDBHSA-N 0 3 312.800 4.019 20 30 DIEDHN CC[C@H](CC#N)N[C@H](CC)Cc1ccc(Br)cc1 ZINC000597086352 1050805936 /nfs/dbraw/zinc/80/59/36/1050805936.db2.gz LEZVABUHKZLIDB-HUUCEWRRSA-N 0 3 309.251 4.052 20 30 DIEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116963 1050808976 /nfs/dbraw/zinc/80/89/76/1050808976.db2.gz STIOZBLODIYRAN-DOMZBBRYSA-N 0 3 308.347 4.014 20 30 DIEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116964 1050809814 /nfs/dbraw/zinc/80/98/14/1050809814.db2.gz STIOZBLODIYRAN-IUODEOHRSA-N 0 3 308.347 4.014 20 30 DIEDHN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088526 1050809941 /nfs/dbraw/zinc/80/99/41/1050809941.db2.gz OZVXAYGDGGJOPY-XJKSGUPXSA-N 0 3 322.374 4.405 20 30 DIEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137366 1050811564 /nfs/dbraw/zinc/81/15/64/1050811564.db2.gz GFHJQCRIIODATA-CJNGLKHVSA-N 0 3 322.374 4.405 20 30 DIEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000597172506 1050815851 /nfs/dbraw/zinc/81/58/51/1050815851.db2.gz BOMDMPAGIUMXQF-QGZVFWFLSA-N 0 3 321.424 4.308 20 30 DIEDHN COc1ccc(-c2ccccc2)cc1CN1CCC[C@H](CC#N)C1 ZINC000597175036 1050817828 /nfs/dbraw/zinc/81/78/28/1050817828.db2.gz UVPDSKKEPYFUGN-QGZVFWFLSA-N 0 3 320.436 4.488 20 30 DIEDHN CCCCCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000742397008 1050833213 /nfs/dbraw/zinc/83/32/13/1050833213.db2.gz KEYNOYIGOZYEHT-SFHVURJKSA-N 0 3 304.478 4.074 20 30 DIEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450237 1050834785 /nfs/dbraw/zinc/83/47/85/1050834785.db2.gz LCAWYMNWFUHTCF-MCIONIFRSA-N 0 3 306.837 4.109 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000772985248 1050906593 /nfs/dbraw/zinc/90/65/93/1050906593.db2.gz UZFBCAROPDLQPC-YLJYHZDGSA-N 0 3 324.399 4.284 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000772985288 1050911227 /nfs/dbraw/zinc/91/12/27/1050911227.db2.gz WFFYHUDTTRYZIX-MAUKXSAKSA-N 0 3 323.440 4.230 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000772987952 1050927850 /nfs/dbraw/zinc/92/78/50/1050927850.db2.gz NDNAFFOUTRWALK-FQEVSTJZSA-N 0 3 322.452 4.006 20 30 DIEDHN C=CCCCNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000790484939 1050963677 /nfs/dbraw/zinc/96/36/77/1050963677.db2.gz VWYZOXWYJJWTCZ-UHFFFAOYSA-N 0 3 321.827 4.088 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000743477400 1051033216 /nfs/dbraw/zinc/03/32/16/1051033216.db2.gz ROIOSTZPUJYZEG-HNAYVOBHSA-N 0 3 319.408 4.090 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000743501066 1051037295 /nfs/dbraw/zinc/03/72/95/1051037295.db2.gz CACIKFNOFKPDBH-QQHUYRGFSA-N 0 3 321.424 4.290 20 30 DIEDHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000743495947 1051038952 /nfs/dbraw/zinc/03/89/52/1051038952.db2.gz JZDDXKLJRBSODT-QGZVFWFLSA-N 0 3 319.452 4.399 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117002 1051067586 /nfs/dbraw/zinc/06/75/86/1051067586.db2.gz SSRXSHWYEJWMMS-DYESRHJHSA-N 0 3 315.420 4.288 20 30 DIEDHN N#CC(C(=O)CCCc1ccccc1)c1nccc2ccccc21 ZINC000792102394 1051116875 /nfs/dbraw/zinc/11/68/75/1051116875.db2.gz IKYBAYUDFHCTKJ-IBGZPJMESA-N 0 3 314.388 4.434 20 30 DIEDHN N#CC(C(=O)CCc1cccs1)c1nccc2ccccc21 ZINC000792097399 1051120174 /nfs/dbraw/zinc/12/01/74/1051120174.db2.gz WDTNUTRFRHFTCO-INIZCTEOSA-N 0 3 306.390 4.105 20 30 DIEDHN [O-]c1ccccc1C[N@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000792232459 1051128674 /nfs/dbraw/zinc/12/86/74/1051128674.db2.gz RQUSIRAFAZBVCL-UHFFFAOYSA-N 0 3 305.421 4.189 20 30 DIEDHN [O-]c1ccccc1C[N@@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000792232459 1051128683 /nfs/dbraw/zinc/12/86/83/1051128683.db2.gz RQUSIRAFAZBVCL-UHFFFAOYSA-N 0 3 305.421 4.189 20 30 DIEDHN C[C@H](Cc1ccccc1Cl)N1CCc2cc(C#N)ccc2C1 ZINC001170275599 1051169099 /nfs/dbraw/zinc/16/90/99/1051169099.db2.gz HNDWODDPNNAVGR-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN CC(C)(C#N)CCCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171679095 1051192600 /nfs/dbraw/zinc/19/26/00/1051192600.db2.gz WNVYECZCGOBESO-GUDVDZBRSA-N 0 3 312.457 4.311 20 30 DIEDHN Cc1ncc(C#N)cc1Nc1cccc(CN2CCCCC2)c1F ZINC001215675968 1051292990 /nfs/dbraw/zinc/29/29/90/1051292990.db2.gz YNWLYYCKQXUYDK-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN N#Cc1cccc(Nc2cccc(CN3CCCCC3)c2F)c1 ZINC001215677428 1051295821 /nfs/dbraw/zinc/29/58/21/1051295821.db2.gz PBCKTSIAASLWOX-UHFFFAOYSA-N 0 3 309.388 4.427 20 30 DIEDHN C=CCCCCC[C@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000793521148 1051306704 /nfs/dbraw/zinc/30/67/04/1051306704.db2.gz BURXDSPXCQEWCE-JKSUJKDBSA-N 0 3 304.482 4.180 20 30 DIEDHN Cc1ncc(C#N)cc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711357 1051319764 /nfs/dbraw/zinc/31/97/64/1051319764.db2.gz PKLRSFIFHHRBCK-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1nc2ccccc2s1 ZINC001172316533 1051337449 /nfs/dbraw/zinc/33/74/49/1051337449.db2.gz UFUXLZLZULVXMZ-AWEZNQCLSA-N 0 3 321.449 4.231 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)ccc(Cl)c1F ZINC001172289755 1051347406 /nfs/dbraw/zinc/34/74/06/1051347406.db2.gz HMLGIRSULLHHQK-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN CCCCCCC[C@H](CC)NCc1ncccc1C(=O)OC ZINC001172351847 1051368253 /nfs/dbraw/zinc/36/82/53/1051368253.db2.gz WSHPPTVTBMVMHU-HNNXBMFYSA-N 0 3 306.450 4.097 20 30 DIEDHN CCCCCCC[C@H](CC)N[C@H]1c2ccccc2CNC1=O ZINC001172350812 1051368842 /nfs/dbraw/zinc/36/88/42/1051368842.db2.gz PWXIFNRUMAQJKH-WMZOPIPTSA-N 0 3 302.462 4.086 20 30 DIEDHN CCCCCCC[C@H](CC)N1CCc2onc(COC)c2C1 ZINC001172355676 1051370269 /nfs/dbraw/zinc/37/02/69/1051370269.db2.gz QSLWXLOEDRYUPR-HNNXBMFYSA-N 0 3 308.466 4.318 20 30 DIEDHN CCCCCC[C@@H](CCCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172512267 1051427863 /nfs/dbraw/zinc/42/78/63/1051427863.db2.gz CBWQDMPBVOFDCV-XHSDSOJGSA-N 0 3 300.487 4.025 20 30 DIEDHN C[C@@H](CCCC#N)N(C)Cc1cccc(Br)c1F ZINC001172503061 1051422057 /nfs/dbraw/zinc/42/20/57/1051422057.db2.gz XXXWRUXUBQIPRJ-NSHDSACASA-N 0 3 313.214 4.102 20 30 DIEDHN CCCCCCC[C@H](CCC)n1cnc(CN)c1C(=O)OCC ZINC001172502509 1051422709 /nfs/dbraw/zinc/42/27/09/1051422709.db2.gz QSYGRWGSVHWBCE-HNNXBMFYSA-N 0 3 323.481 4.220 20 30 DIEDHN CCCCCCC[C@@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172509327 1051426902 /nfs/dbraw/zinc/42/69/02/1051426902.db2.gz WEWMGFCKPHLLGE-CVEARBPZSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCC[C@@H](CCC)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172511767 1051429059 /nfs/dbraw/zinc/42/90/59/1051429059.db2.gz WPHWXKGBOHEGEY-IAGOWNOFSA-N 0 3 317.539 4.025 20 30 DIEDHN CC(C)c1ccc(C[C@@H]2CCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001168967799 1051481683 /nfs/dbraw/zinc/48/16/83/1051481683.db2.gz BFVWACWPFAYAOZ-IBGZPJMESA-N 0 3 319.452 4.141 20 30 DIEDHN C[C@@H](Cc1c(F)cccc1Cl)NCc1ccccc1C#N ZINC001172847094 1051533925 /nfs/dbraw/zinc/53/39/25/1051533925.db2.gz ZNJQEYGMAPBQHT-LBPRGKRZSA-N 0 3 302.780 4.072 20 30 DIEDHN C=CCCCCCN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001169198467 1051543766 /nfs/dbraw/zinc/54/37/66/1051543766.db2.gz YEDVYGLFUYJFJR-UHFFFAOYSA-N 0 3 324.871 4.343 20 30 DIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CCC(C)(C#N)CC1 ZINC001172881623 1051563689 /nfs/dbraw/zinc/56/36/89/1051563689.db2.gz JGYZLYVJBIUPQF-ZDUSSCGKSA-N 0 3 308.878 4.446 20 30 DIEDHN C[C@H]1C[C@H](Nc2ccc(/N=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372703 1051592936 /nfs/dbraw/zinc/59/29/36/1051592936.db2.gz AGZWVJJYFXEVRN-CZOCKUPHSA-N 0 3 318.424 4.440 20 30 DIEDHN Cc1c2[nH]cnc2ccc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169380829 1051598368 /nfs/dbraw/zinc/59/83/68/1051598368.db2.gz JSQCCDPXHPIGQW-QGZVFWFLSA-N 0 3 310.788 4.376 20 30 DIEDHN C#CCCCN[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000766727567 1051621882 /nfs/dbraw/zinc/62/18/82/1051621882.db2.gz GHQWUKYKTHJDAC-LJQANCHMSA-N 0 3 313.828 4.441 20 30 DIEDHN CN(CC#Cc1cccc(Cl)c1)Cc1cccc2[nH]ccc21 ZINC000494019276 1051677944 /nfs/dbraw/zinc/67/79/44/1051677944.db2.gz SMRWWQIWMQNHHX-UHFFFAOYSA-N 0 3 308.812 4.305 20 30 DIEDHN CCC[C@@H](C(=O)c1ccccc1)N(C)C1CCC(CC#N)CC1 ZINC001173339341 1051698789 /nfs/dbraw/zinc/69/87/89/1051698789.db2.gz FVNYXIFXEDMORX-KVZIAJEVSA-N 0 3 312.457 4.442 20 30 DIEDHN C=CCOC1CCC(NCc2c(F)cc(Cl)cc2F)CC1 ZINC001173316256 1051710587 /nfs/dbraw/zinc/71/05/87/1051710587.db2.gz ZFBUXWCANRYGPH-UHFFFAOYSA-N 0 3 315.791 4.222 20 30 DIEDHN CCOc1ccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000768162315 1051888865 /nfs/dbraw/zinc/88/88/65/1051888865.db2.gz AGKPNSXZMVPPTJ-MRXNPFEDSA-N 0 3 324.424 4.008 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000768194836 1051901291 /nfs/dbraw/zinc/90/12/91/1051901291.db2.gz GDYQJESDNMDORH-JKSUJKDBSA-N 0 3 306.409 4.097 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000768530780 1051941120 /nfs/dbraw/zinc/94/11/20/1051941120.db2.gz NJBWBCKUYUNOPV-ZDUSSCGKSA-N 0 3 320.314 4.160 20 30 DIEDHN C=CCN(Cc1c(C)nn(-c2ccc(F)cc2F)c1C)C(C)C ZINC000768547463 1051944019 /nfs/dbraw/zinc/94/40/19/1051944019.db2.gz NLHAWXHRZJXCEV-UHFFFAOYSA-N 0 3 319.399 4.164 20 30 DIEDHN N#CCSCCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000191244570 1051966088 /nfs/dbraw/zinc/96/60/88/1051966088.db2.gz UJFQNBIEVCXHFK-UHFFFAOYSA-N 0 3 316.392 4.088 20 30 DIEDHN N#CCC[C@@H](NC1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000494602135 1051979948 /nfs/dbraw/zinc/97/99/48/1051979948.db2.gz HZIHELPWJKZZNU-XVAXZDLZSA-N 0 3 320.436 4.369 20 30 DIEDHN C=CCc1cc(CNCc2ccc(C3CC3)cc2)cc(OC)c1O ZINC000191681316 1051982742 /nfs/dbraw/zinc/98/27/42/1051982742.db2.gz UTBRETSCFZVXFI-UHFFFAOYSA-N 0 3 323.436 4.297 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106635 1051996587 /nfs/dbraw/zinc/99/65/87/1051996587.db2.gz VTVMJKDYVRULHW-FOIQADDNSA-N 0 3 322.408 4.020 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3cc4ccccc4[nH]3)CC2)o1 ZINC000769123259 1051999178 /nfs/dbraw/zinc/99/91/78/1051999178.db2.gz YATPYPWJUHNJJI-UHFFFAOYSA-N 0 3 305.381 4.012 20 30 DIEDHN CN(c1ccccc1)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000769192219 1052003046 /nfs/dbraw/zinc/00/30/46/1052003046.db2.gz KGBHXNBXTLXYIV-UHFFFAOYSA-N 0 3 305.425 4.190 20 30 DIEDHN CC(C)(C)c1cc(C#N)ccc1O[C@@H]1CNCc2ccccc21 ZINC001218489789 1052249493 /nfs/dbraw/zinc/24/94/93/1052249493.db2.gz QNOZWUMXXKZCGZ-LJQANCHMSA-N 0 3 306.409 4.079 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc2ccccc2s1 ZINC001218581555 1052252665 /nfs/dbraw/zinc/25/26/65/1052252665.db2.gz PCRFFYSILHKSLZ-AWEZNQCLSA-N 0 3 302.443 4.304 20 30 DIEDHN CC(C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000915101667 1052346251 /nfs/dbraw/zinc/34/62/51/1052346251.db2.gz FEPONJAYFDACTA-ZDUSSCGKSA-N 0 3 316.451 4.128 20 30 DIEDHN Cc1[nH]c2c(cc(C)cc2CNCc2ccc(C#N)cc2)c1C ZINC000609223518 1052465586 /nfs/dbraw/zinc/46/55/86/1052465586.db2.gz ZVFVILMQGHREFK-UHFFFAOYSA-N 0 3 303.409 4.255 20 30 DIEDHN CCCCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000916912325 1052666983 /nfs/dbraw/zinc/66/69/83/1052666983.db2.gz JEOOTDXIKVWEAD-QGZVFWFLSA-N 0 3 314.429 4.257 20 30 DIEDHN CC(C)N1CC[C@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224091743 1052667186 /nfs/dbraw/zinc/66/71/86/1052667186.db2.gz VILKTLDGJHCUMG-GEXZYOHASA-N 0 3 308.425 4.264 20 30 DIEDHN C[C@@H](c1ccccn1)N1CCC[C@H](OCCCCCCC#N)C1 ZINC001224376683 1052692910 /nfs/dbraw/zinc/69/29/10/1052692910.db2.gz URAORGSTMTWJRL-ROUUACIJSA-N 0 3 315.461 4.098 20 30 DIEDHN C[C@H](NCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000128057547 1052707744 /nfs/dbraw/zinc/70/77/44/1052707744.db2.gz TZRQEMNSYGVGDS-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN C=C(C)COc1cc(CNC2(c3ccccc3)CC2)ccc1OC ZINC000068980118 1052775679 /nfs/dbraw/zinc/77/56/79/1052775679.db2.gz AITPZGRTCIKOCM-UHFFFAOYSA-N 0 3 323.436 4.429 20 30 DIEDHN C=CCSCCN[C@H](C)c1ccccc1Br ZINC000129357280 1052783789 /nfs/dbraw/zinc/78/37/89/1052783789.db2.gz TVYOATLZPJHMPK-LLVKDONJSA-N 0 3 300.265 4.019 20 30 DIEDHN CCN(Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC000556508840 1052858263 /nfs/dbraw/zinc/85/82/63/1052858263.db2.gz RIIASYXJBOMADD-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN COc1cc(C)c(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000194973203 1052877561 /nfs/dbraw/zinc/87/75/61/1052877561.db2.gz OSHLBOBGOUITBT-OAHLLOKOSA-N 0 3 324.424 4.077 20 30 DIEDHN COc1cc(C)c(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000194973186 1052877722 /nfs/dbraw/zinc/87/77/22/1052877722.db2.gz OSHLBOBGOUITBT-HNNXBMFYSA-N 0 3 324.424 4.077 20 30 DIEDHN N#CC(C(=O)CCC1CCC1)C(=O)Nc1cccc2ccccc21 ZINC000175109779 1052980994 /nfs/dbraw/zinc/98/09/94/1052980994.db2.gz JRSWVKLVHLEQPJ-QGZVFWFLSA-N 0 3 320.392 4.067 20 30 DIEDHN Cc1ccc(C)c(OC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000064632219 1052997448 /nfs/dbraw/zinc/99/74/48/1052997448.db2.gz PQTAUCRIBFIEOV-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN C=C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237570393 1053012565 /nfs/dbraw/zinc/01/25/65/1053012565.db2.gz YDEIXSDFTXGZIN-JTQLQIEISA-N 0 3 306.749 4.172 20 30 DIEDHN CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OCC ZINC000069060680 1053108524 /nfs/dbraw/zinc/10/85/24/1053108524.db2.gz APHSTLJYHDFTMG-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN C=CCOc1ccccc1[C@@H](C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945346 1053211596 /nfs/dbraw/zinc/21/15/96/1053211596.db2.gz UHFRYDOYLAAIPZ-MRXNPFEDSA-N 0 3 323.436 4.379 20 30 DIEDHN Fc1ccc(/N=C/c2ccc(O[C@@H]3CN4CCC3CC4)cc2)cc1 ZINC001229357856 1053306285 /nfs/dbraw/zinc/30/62/85/1053306285.db2.gz YVZRENMFYBOXAQ-CCULFSDZSA-N 0 3 324.399 4.049 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000618562635 1053323913 /nfs/dbraw/zinc/32/39/13/1053323913.db2.gz SNNCMJDPRNGUCP-RDJZCZTQSA-N 0 3 307.397 4.046 20 30 DIEDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569865 1053326171 /nfs/dbraw/zinc/32/61/71/1053326171.db2.gz AZFVXXXNSVINNV-DJJJIMSYSA-N 0 3 321.380 4.195 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427560 1053333457 /nfs/dbraw/zinc/33/34/57/1053333457.db2.gz GKZBAQIHTGHYRZ-AAEUAGOBSA-N 0 3 320.433 4.109 20 30 DIEDHN Cc1ccc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc2n1 ZINC000618741163 1053358238 /nfs/dbraw/zinc/35/82/38/1053358238.db2.gz AWWRFALFQDECSU-OAQYLSRUSA-N 0 3 313.404 4.192 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(C(F)(F)F)c1 ZINC000618741680 1053358920 /nfs/dbraw/zinc/35/89/20/1053358920.db2.gz KKHHOBLKEBLZQW-KRWDZBQOSA-N 0 3 316.326 4.354 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCSc2ccccc21 ZINC000618801671 1053366359 /nfs/dbraw/zinc/36/63/59/1053366359.db2.gz BKFIXYHZGYPHQP-ZWKOTPCHSA-N 0 3 306.434 4.372 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCSc2ccccc21 ZINC000618801668 1053366748 /nfs/dbraw/zinc/36/67/48/1053366748.db2.gz BKFIXYHZGYPHQP-ROUUACIJSA-N 0 3 306.434 4.372 20 30 DIEDHN COc1cc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805631 1053370299 /nfs/dbraw/zinc/37/02/99/1053370299.db2.gz JAFCXQCDTVGBRQ-SGTLLEGYSA-N 0 3 310.372 4.044 20 30 DIEDHN Cc1oc2ccccc2c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618831523 1053377060 /nfs/dbraw/zinc/37/70/60/1053377060.db2.gz ZCPQFLGEALBCCS-LJQANCHMSA-N 0 3 302.377 4.390 20 30 DIEDHN C=C[C@@]1(C)CC[C@H](Oc2ccccc2CN(C)C)C(C)(C)O1 ZINC001229702277 1053388139 /nfs/dbraw/zinc/38/81/39/1053388139.db2.gz RTWDGKVKNYQMNE-HKUYNNGSSA-N 0 3 303.446 4.029 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCc3cc(F)ccc32)C1 ZINC001321622835 1053424352 /nfs/dbraw/zinc/42/43/52/1053424352.db2.gz NNDSSNNKGAQQJE-SKINQDTJSA-N 0 3 306.384 4.027 20 30 DIEDHN C[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])CC1 ZINC001229932131 1053435273 /nfs/dbraw/zinc/43/52/73/1053435273.db2.gz AGVSLOJMWIJWMJ-WNSCPLKPSA-N 0 3 324.424 4.006 20 30 DIEDHN C[N@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])CC1 ZINC001229932131 1053435276 /nfs/dbraw/zinc/43/52/76/1053435276.db2.gz AGVSLOJMWIJWMJ-WNSCPLKPSA-N 0 3 324.424 4.006 20 30 DIEDHN COc1ccc(C)cc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508430 1053496869 /nfs/dbraw/zinc/49/68/69/1053496869.db2.gz UBMSOBCKDQKMME-HXUWFJFHSA-N 0 3 320.436 4.433 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 ZINC000619754659 1053544869 /nfs/dbraw/zinc/54/48/69/1053544869.db2.gz GWPPMNQDQVIIFI-SFHVURJKSA-N 0 3 309.800 4.324 20 30 DIEDHN Cc1cc(OCCC[C@H](C)NCC2(C#N)CC2)ccc1Cl ZINC000619845914 1053566348 /nfs/dbraw/zinc/56/63/48/1053566348.db2.gz KJXOMDYQPIFHIK-AWEZNQCLSA-N 0 3 306.837 4.089 20 30 DIEDHN C[C@H](NCc1ccc(Cl)s1)c1ccc(OCC#N)cc1 ZINC000070941067 1053576885 /nfs/dbraw/zinc/57/68/85/1053576885.db2.gz DIBPSMVBKYUVLB-NSHDSACASA-N 0 3 306.818 4.155 20 30 DIEDHN C[C@H](NCc1cccc(C(F)F)c1)c1ccc(OCC#N)cc1 ZINC001324337193 1053645996 /nfs/dbraw/zinc/64/59/96/1053645996.db2.gz YOULJNWFIBOGBY-ZDUSSCGKSA-N 0 3 316.351 4.377 20 30 DIEDHN C=CC[C@@H](NCc1ccc(Br)s1)c1ccncc1 ZINC001200563436 1053765544 /nfs/dbraw/zinc/76/55/44/1053765544.db2.gz WWKRWMHPXFMARD-CYBMUJFWSA-N 0 3 323.259 4.313 20 30 DIEDHN N#CC1(c2ccccc2)CC(NCc2coc3ccccc23)C1 ZINC001326258563 1053769852 /nfs/dbraw/zinc/76/98/52/1053769852.db2.gz NDTPPMZIKYNSMX-UHFFFAOYSA-N 0 3 302.377 4.146 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578836 1053788876 /nfs/dbraw/zinc/78/88/76/1053788876.db2.gz SWQBEHUZJUEAOP-HXUWFJFHSA-N 0 3 314.432 4.212 20 30 DIEDHN C=CCOc1cccc(CN2CCC3(CC(F)(F)C3)CC2)c1 ZINC001231620957 1053804399 /nfs/dbraw/zinc/80/43/99/1053804399.db2.gz JPPIQZYGPQFOJG-UHFFFAOYSA-N 0 3 307.384 4.263 20 30 DIEDHN C=CCN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)(C)C ZINC001231842412 1053887039 /nfs/dbraw/zinc/88/70/39/1053887039.db2.gz JSPIUMUQOBWUSP-UHFFFAOYSA-N 0 3 319.449 4.215 20 30 DIEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1c(C)cc(C#N)cc1C ZINC001354613971 1053923926 /nfs/dbraw/zinc/92/39/26/1053923926.db2.gz JYKCRYGELIHQST-HNNXBMFYSA-N 0 3 324.472 4.286 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H](c2ccccn2)C2CCC2)C1 ZINC001329175509 1053971044 /nfs/dbraw/zinc/97/10/44/1053971044.db2.gz VINZOCANKQQXTA-VEDCXYSMSA-N 0 3 317.436 4.136 20 30 DIEDHN C=CCN(Cc1c[nH]c2nccc(Cl)c12)Cc1ccccc1 ZINC001232463989 1054049709 /nfs/dbraw/zinc/04/97/09/1054049709.db2.gz UJNWHHLEZJEJIS-UHFFFAOYSA-N 0 3 311.816 4.405 20 30 DIEDHN N#Cc1ccc(C2CCN(Cc3cc4ccoc4cn3)CC2)cc1 ZINC001232557125 1054069893 /nfs/dbraw/zinc/06/98/93/1054069893.db2.gz ORWKJVVLWREEJS-UHFFFAOYSA-N 0 3 317.392 4.079 20 30 DIEDHN C=CCCCCN(C)Cc1cccnc1NC(=O)OC(C)(C)C ZINC001232542482 1054070178 /nfs/dbraw/zinc/07/01/78/1054070178.db2.gz BYDRDWHHPMAJOI-UHFFFAOYSA-N 0 3 319.449 4.217 20 30 DIEDHN C#CCN(Cc1cccc2ncsc21)[C@@H]1CCc2ccccc21 ZINC001232735592 1054110752 /nfs/dbraw/zinc/11/07/52/1054110752.db2.gz NYCHZNYDHPUUJC-LJQANCHMSA-N 0 3 318.445 4.419 20 30 DIEDHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccc(C#N)s2)CC1 ZINC001232843383 1054130466 /nfs/dbraw/zinc/13/04/66/1054130466.db2.gz NJZLHWWVGKTNEF-UHFFFAOYSA-N 0 3 322.477 4.408 20 30 DIEDHN Cc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c([O-])c1 ZINC000848567528 1054154932 /nfs/dbraw/zinc/15/49/32/1054154932.db2.gz XLIOFYFCRUKLTH-OAHLLOKOSA-N 0 3 306.409 4.302 20 30 DIEDHN COc1cccc2c1CC[C@H]2NCc1ccc(SC)c(C#N)c1 ZINC001334034649 1054177077 /nfs/dbraw/zinc/17/70/77/1054177077.db2.gz XGXHLJFAYNPONR-QGZVFWFLSA-N 0 3 324.449 4.066 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC(Sc2ccncc2)CC1 ZINC001233082991 1054183425 /nfs/dbraw/zinc/18/34/25/1054183425.db2.gz NXQJMRNLJSBIRQ-UHFFFAOYSA-N 0 3 323.465 4.018 20 30 DIEDHN COc1cccc2cc(CNCc3c(C)cc(C#N)cc3C)oc21 ZINC001335152117 1054209426 /nfs/dbraw/zinc/20/94/26/1054209426.db2.gz ZCIWUXYWKRMIHL-UHFFFAOYSA-N 0 3 320.392 4.220 20 30 DIEDHN CC(C)(C)c1ccc(O)c(CN2CCc3ccc(C#N)cc3C2)c1 ZINC001233284378 1054222862 /nfs/dbraw/zinc/22/28/62/1054222862.db2.gz SFFAEGGVJXGXGC-UHFFFAOYSA-N 0 3 320.436 4.120 20 30 DIEDHN CCCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000184882081 1054228542 /nfs/dbraw/zinc/22/85/42/1054228542.db2.gz DDXJPJMPZDEKAB-QGZVFWFLSA-N 0 3 324.428 4.057 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001233331132 1054233897 /nfs/dbraw/zinc/23/38/97/1054233897.db2.gz ILDIKZUNKMWARY-HXUWFJFHSA-N 0 3 304.437 4.403 20 30 DIEDHN N#CC[C@@H]1CCCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001233331131 1054235959 /nfs/dbraw/zinc/23/59/59/1054235959.db2.gz ILDIKZUNKMWARY-FQEVSTJZSA-N 0 3 304.437 4.403 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2c(C)noc2C)c([O-])c1 ZINC000072613686 1054436007 /nfs/dbraw/zinc/43/60/07/1054436007.db2.gz JTGWKEJYLYOKBD-MKFNJMOCSA-N 0 3 315.417 4.023 20 30 DIEDHN N#CC(C(=O)C[C@H]1CC=CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369460 1054465047 /nfs/dbraw/zinc/46/50/47/1054465047.db2.gz WJXWNPQMAUTPES-NWDGAFQWSA-N 0 3 313.788 4.139 20 30 DIEDHN N#CC(C(=O)C[C@H]1CC=CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369461 1054466629 /nfs/dbraw/zinc/46/66/29/1054466629.db2.gz WJXWNPQMAUTPES-RYUDHWBXSA-N 0 3 313.788 4.139 20 30 DIEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345622008 1054504969 /nfs/dbraw/zinc/50/49/69/1054504969.db2.gz SLNKWYHXWFFHGK-SWLSCSKDSA-N 0 3 314.335 4.038 20 30 DIEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473302465 1054526172 /nfs/dbraw/zinc/52/61/72/1054526172.db2.gz QPLYXDPVUNHJPG-AWEZNQCLSA-N 0 3 308.372 4.028 20 30 DIEDHN CC1=C(C)C[C@@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001346763731 1054548514 /nfs/dbraw/zinc/54/85/14/1054548514.db2.gz LJIRIGDUORWGDW-GUYCJALGSA-N 0 3 304.340 4.063 20 30 DIEDHN CC1=C(C)C[C@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001346763723 1054549260 /nfs/dbraw/zinc/54/92/60/1054549260.db2.gz LJIRIGDUORWGDW-CXAGYDPISA-N 0 3 304.340 4.063 20 30 DIEDHN Cc1c2ccccc2sc1[C@@H](C)NCc1cncc(C#N)c1 ZINC001473360715 1054641178 /nfs/dbraw/zinc/64/11/78/1054641178.db2.gz SGARCMLOTJPGNP-CYBMUJFWSA-N 0 3 307.422 4.327 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1F)c1ccccc1 ZINC000180039844 1054727527 /nfs/dbraw/zinc/72/75/27/1054727527.db2.gz JZAXEAYGEWRIGD-KRWDZBQOSA-N 0 3 312.388 4.061 20 30 DIEDHN Cc1ccc(OC2CCN(Cc3ccccc3CC#N)CC2)cc1 ZINC001235524034 1054736814 /nfs/dbraw/zinc/73/68/14/1054736814.db2.gz YISOAKHUPGQARS-UHFFFAOYSA-N 0 3 320.436 4.105 20 30 DIEDHN C=CCSCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000180456598 1054757724 /nfs/dbraw/zinc/75/77/24/1054757724.db2.gz VHEUEZUJDQRBII-ZDUSSCGKSA-N 0 3 304.484 4.380 20 30 DIEDHN CN(Cc1c(F)cc(C#N)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001235657577 1054760489 /nfs/dbraw/zinc/76/04/89/1054760489.db2.gz SBXVKUCNIOVDCO-UHFFFAOYSA-N 0 3 316.395 4.237 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C(C)(C)CCCc1ccccc1 ZINC001349703668 1054786881 /nfs/dbraw/zinc/78/68/81/1054786881.db2.gz ZBBKGOFCEMYDMP-QGZVFWFLSA-N 0 3 323.440 4.128 20 30 DIEDHN C[C@@H](NCCOC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623969227 1054841769 /nfs/dbraw/zinc/84/17/69/1054841769.db2.gz ZGYNZIFWDXKLRU-SSDOTTSWSA-N 0 3 319.220 4.032 20 30 DIEDHN C=CCCOCCN[C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623924629 1054824582 /nfs/dbraw/zinc/82/45/82/1054824582.db2.gz IKFMMZGZQMWRFH-NSHDSACASA-N 0 3 305.315 4.088 20 30 DIEDHN N#Cc1cc(-c2ccc(F)c(CN3CCCCC3)c2)ccc1F ZINC001235897925 1054836473 /nfs/dbraw/zinc/83/64/73/1054836473.db2.gz VWSUUOWPTMBZKL-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(F)c(C#N)c2)ccc1F ZINC001235897919 1054837112 /nfs/dbraw/zinc/83/71/12/1054837112.db2.gz VPTGSAINXVOYEP-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN Cc1ccnc(-c2cccc(CN3CCCCC3)c2F)c1C#N ZINC001236002379 1054889660 /nfs/dbraw/zinc/88/96/60/1054889660.db2.gz IIHKQZJBSQJTHI-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2c2c[nH]c3ccccc32)s1 ZINC001236189347 1054987861 /nfs/dbraw/zinc/98/78/61/1054987861.db2.gz CVHJELGORKQGMP-GOSISDBHSA-N 0 3 307.422 4.438 20 30 DIEDHN Cc1nccc(-c2ccc(CN3CCCCC3)c(F)c2)c1C#N ZINC001236257431 1055039685 /nfs/dbraw/zinc/03/96/85/1055039685.db2.gz DQFATLJPWAYKND-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C[C@H](NCCCSCC#N)c1nc(-c2ccccc2)cs1 ZINC000184516875 1055077775 /nfs/dbraw/zinc/07/77/75/1055077775.db2.gz SGHDBOXLXNTZAL-ZDUSSCGKSA-N 0 3 317.483 4.108 20 30 DIEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1Cl ZINC000112525770 1055106826 /nfs/dbraw/zinc/10/68/26/1055106826.db2.gz KVNCFPQHICUFRU-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN [O-]/N=C/c1cccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001236475059 1055133601 /nfs/dbraw/zinc/13/36/01/1055133601.db2.gz LARVQDGXVWJATL-WHOFGVDJSA-N 0 3 318.420 4.315 20 30 DIEDHN [O-]/N=C/c1cccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236475059 1055133605 /nfs/dbraw/zinc/13/36/05/1055133605.db2.gz LARVQDGXVWJATL-WHOFGVDJSA-N 0 3 318.420 4.315 20 30 DIEDHN CSc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1F ZINC000765013910 1055311712 /nfs/dbraw/zinc/31/17/12/1055311712.db2.gz IVXJLVZPPKDKBM-LBPRGKRZSA-N 0 3 300.402 4.270 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000765016643 1055316420 /nfs/dbraw/zinc/31/64/20/1055316420.db2.gz XLHRLGSDAIURSE-KRWDZBQOSA-N 0 3 316.351 4.401 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccc2F)nc1 ZINC001236994535 1055332863 /nfs/dbraw/zinc/33/28/63/1055332863.db2.gz XYCFLEGIAOFJNU-OSYLJGHBSA-N 0 3 321.399 4.154 20 30 DIEDHN C#C[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237020564 1055344042 /nfs/dbraw/zinc/34/40/42/1055344042.db2.gz OYVRTRVAJQSORD-HNNXBMFYSA-N 0 3 310.828 4.247 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(OC)c2)cc1 ZINC000765251953 1055345568 /nfs/dbraw/zinc/34/55/68/1055345568.db2.gz PQGAHQHHOOKOFJ-CVEARBPZSA-N 0 3 309.409 4.119 20 30 DIEDHN Cc1cc(F)cc(C)c1CN1CCC(C#N)(c2ccccc2)CC1 ZINC001237317828 1055427005 /nfs/dbraw/zinc/42/70/05/1055427005.db2.gz NTJRHDSABWIEDO-UHFFFAOYSA-N 0 3 322.427 4.500 20 30 DIEDHN C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643701 1055493718 /nfs/dbraw/zinc/49/37/18/1055493718.db2.gz AVPKRUCSJLEOTC-OAHLLOKOSA-N 0 3 309.384 4.044 20 30 DIEDHN C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237643701 1055493726 /nfs/dbraw/zinc/49/37/26/1055493726.db2.gz AVPKRUCSJLEOTC-OAHLLOKOSA-N 0 3 309.384 4.044 20 30 DIEDHN C=CCC[C@H](NCc1cnc(N(C)C)s1)c1ccccc1 ZINC001620868355 1055496927 /nfs/dbraw/zinc/49/69/27/1055496927.db2.gz AFLLREHUIYEWMC-INIZCTEOSA-N 0 3 301.459 4.006 20 30 DIEDHN N#CC1CCN(Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001237661126 1055497879 /nfs/dbraw/zinc/49/78/79/1055497879.db2.gz CFWKEXWMDAYZED-UHFFFAOYSA-N 0 3 312.363 4.367 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(F)c(Cl)c2)cc1 ZINC000765625957 1055523839 /nfs/dbraw/zinc/52/38/39/1055523839.db2.gz LUMHKGRWVKQIMF-ZDUSSCGKSA-N 0 3 317.791 4.342 20 30 DIEDHN N#Cc1cccc(C2CCN(Cc3cnc(C4CC4)s3)CC2)c1 ZINC001237790868 1055528138 /nfs/dbraw/zinc/52/81/38/1055528138.db2.gz WLNRALALGIPFKK-UHFFFAOYSA-N 0 3 323.465 4.272 20 30 DIEDHN C=C(C)CNCc1cc(Br)cc(C)c1OC(F)F ZINC001620934943 1055548949 /nfs/dbraw/zinc/54/89/49/1055548949.db2.gz UETACMBYEBHTBH-UHFFFAOYSA-N 0 3 320.177 4.025 20 30 DIEDHN CC(C)(C)C1CC(NCc2cc(C#N)ccc2Br)C1 ZINC001620952159 1055570590 /nfs/dbraw/zinc/57/05/90/1055570590.db2.gz JOEHBCIYSXIPRX-UHFFFAOYSA-N 0 3 321.262 4.235 20 30 DIEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001168553784 1055573674 /nfs/dbraw/zinc/57/36/74/1055573674.db2.gz XAMKXBWBACDGMP-FOGDFJRCSA-N 0 3 314.763 4.284 20 30 DIEDHN N#Cc1cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1Cl ZINC001238198619 1055617076 /nfs/dbraw/zinc/61/70/76/1055617076.db2.gz LYUNNLONRWQPQX-IYBDPMFKSA-N 0 3 308.812 4.298 20 30 DIEDHN C(#CC1CCN(Cc2cncc(C3CC3)c2)CC1)c1ccccc1 ZINC001238192364 1055618586 /nfs/dbraw/zinc/61/85/86/1055618586.db2.gz CIFRGUUIOWKXAW-UHFFFAOYSA-N 0 3 316.448 4.223 20 30 DIEDHN COc1cc(CN2CCC[C@@H]2c2cccc(C)c2)ccc1C#N ZINC001238413342 1055653804 /nfs/dbraw/zinc/65/38/04/1055653804.db2.gz NJCZOTFZVXXEPI-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN C=CCN(Cc1cnc(F)c(OC(C)C)c1)C1CCCCC1 ZINC001238596925 1055694311 /nfs/dbraw/zinc/69/43/11/1055694311.db2.gz YMRUYUOUVDEUAH-UHFFFAOYSA-N 0 3 306.425 4.329 20 30 DIEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cc(C)c1OC(C)C ZINC001238752009 1055740082 /nfs/dbraw/zinc/74/00/82/1055740082.db2.gz QYKOSASQYKRJEY-QGZVFWFLSA-N 0 3 300.446 4.216 20 30 DIEDHN CCc1cc(CN(C)[C@@H](C)c2ccc(OC)cc2)ccc1C#N ZINC001238779052 1055751248 /nfs/dbraw/zinc/75/12/48/1055751248.db2.gz SVTAULXIOZGVES-HNNXBMFYSA-N 0 3 308.425 4.322 20 30 DIEDHN C=CCCC[C@@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001597536977 1055844589 /nfs/dbraw/zinc/84/45/89/1055844589.db2.gz CIZVGPNASZFBBN-QGZVFWFLSA-N 0 3 314.473 4.147 20 30 DIEDHN C[C@H]1CC[C@H](C)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645449 1055927281 /nfs/dbraw/zinc/92/72/81/1055927281.db2.gz YZOQHVPBYCJISK-KBPBESRZSA-N 0 3 311.347 4.057 20 30 DIEDHN C[C@@H]1CC[C@@H](C)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645452 1055928514 /nfs/dbraw/zinc/92/85/14/1055928514.db2.gz YZOQHVPBYCJISK-ZIAGYGMSSA-N 0 3 311.347 4.057 20 30 DIEDHN C=CCCSCCNCc1ccc(-c2ccccc2F)o1 ZINC001620997969 1055966850 /nfs/dbraw/zinc/96/68/50/1055966850.db2.gz FWSSRPUHDKKZKT-UHFFFAOYSA-N 0 3 305.418 4.485 20 30 DIEDHN COCC#CCN[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001168656466 1056444984 /nfs/dbraw/zinc/44/49/84/1056444984.db2.gz CEGBVYJFRJKEJZ-SFHVURJKSA-N 0 3 305.849 4.201 20 30 DIEDHN N#Cc1ccnc(CN2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC001615252275 1056483873 /nfs/dbraw/zinc/48/38/73/1056483873.db2.gz XYBTYXKLCWOEBZ-OAQYLSRUSA-N 0 3 313.404 4.444 20 30 DIEDHN C#CCN(C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615265766 1056484107 /nfs/dbraw/zinc/48/41/07/1056484107.db2.gz WWHYHRAHWUGSSI-AZUAARDMSA-N 0 3 309.453 4.101 20 30 DIEDHN C#CCN(C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCc2ccccc21 ZINC001615265768 1056485334 /nfs/dbraw/zinc/48/53/34/1056485334.db2.gz WWHYHRAHWUGSSI-ICSRJNTNSA-N 0 3 309.453 4.101 20 30 DIEDHN CCCN(Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC001615313398 1056491485 /nfs/dbraw/zinc/49/14/85/1056491485.db2.gz AVVNZPMLQJAARJ-UHFFFAOYSA-N 0 3 300.352 4.249 20 30 DIEDHN CC(C)C[C@H]1CCCCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001615583415 1056541047 /nfs/dbraw/zinc/54/10/47/1056541047.db2.gz KOEAIIJPFRCDNK-MRXNPFEDSA-N 0 3 315.417 4.257 20 30 DIEDHN COCC#CCN[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001616616567 1056686901 /nfs/dbraw/zinc/68/69/01/1056686901.db2.gz REAYDICOGNXTMU-QFIPXVFZSA-N 0 3 321.464 4.380 20 30 DIEDHN C=CC[C@H](C)N(C)Cc1cc(Br)ccc1Cl ZINC001617182698 1056789820 /nfs/dbraw/zinc/78/98/20/1056789820.db2.gz MBOQGFLLELESCX-JTQLQIEISA-N 0 3 302.643 4.499 20 30 DIEDHN Cc1cc2cc(CNCc3c(C)cc(C#N)cc3C)ccc2[nH]1 ZINC000922127187 1056827336 /nfs/dbraw/zinc/82/73/36/1056827336.db2.gz OMIXJJPFYXGCEG-UHFFFAOYSA-N 0 3 303.409 4.255 20 30 DIEDHN CCN(CC)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000078613012 1056860106 /nfs/dbraw/zinc/86/01/06/1056860106.db2.gz FTBJHLYHLARBRH-INIZCTEOSA-N 0 3 317.820 4.300 20 30 DIEDHN Cc1cc(F)ccc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000922668018 1057046228 /nfs/dbraw/zinc/04/62/28/1057046228.db2.gz YXXSOGRFOFVEKX-CABCVRRESA-N 0 3 312.388 4.276 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1C ZINC000922671878 1057047110 /nfs/dbraw/zinc/04/71/10/1057047110.db2.gz HAQPWKPXNMFPEX-HOTGVXAUSA-N 0 3 324.424 4.145 20 30 DIEDHN N#CCc1cc(F)cc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241507815 1057079223 /nfs/dbraw/zinc/07/92/23/1057079223.db2.gz PWATVKPCUHADQS-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccc(SC)cc2)cc1C#N ZINC000282367258 1057085549 /nfs/dbraw/zinc/08/55/49/1057085549.db2.gz WQIRDQIPORLCCY-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc[nH]c2C2CC2)s1 ZINC000347781944 1057101686 /nfs/dbraw/zinc/10/16/86/1057101686.db2.gz VOSANAAVMTXOOQ-LBPRGKRZSA-N 0 3 313.426 4.136 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021412 1057121767 /nfs/dbraw/zinc/12/17/67/1057121767.db2.gz SSZXBEWNOBGMQW-KSSFIOAISA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1sc(CC)nc1C)c1ccncc1 ZINC000766022368 1057122621 /nfs/dbraw/zinc/12/26/21/1057122621.db2.gz RPRRCAPYXJPURP-SWLSCSKDSA-N 0 3 301.459 4.377 20 30 DIEDHN C=CCCN(Cc1scc2c1OCCO2)Cc1ccccc1 ZINC001143186705 1057247482 /nfs/dbraw/zinc/24/74/82/1057247482.db2.gz AHGCUXRDOPTVFY-UHFFFAOYSA-N 0 3 315.438 4.098 20 30 DIEDHN Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)cnc1C#N ZINC001242357260 1057343958 /nfs/dbraw/zinc/34/39/58/1057343958.db2.gz NIESCXWRUVFFLZ-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000174430196 1057360528 /nfs/dbraw/zinc/36/05/28/1057360528.db2.gz PXGHQWSKAIPODM-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(C#N)cc3C)c(C)c2)CC1 ZINC001242472155 1057376541 /nfs/dbraw/zinc/37/65/41/1057376541.db2.gz MTBWXDOJKNPVAR-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(F)cc2C#N)cc1F ZINC001242583732 1057414877 /nfs/dbraw/zinc/41/48/77/1057414877.db2.gz GZTWCLUKBNLNMK-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1cccnc1)C1CC1 ZINC000611395269 1057596495 /nfs/dbraw/zinc/59/64/95/1057596495.db2.gz ZNGXGZMWALMOSM-UXHICEINSA-N 0 3 303.409 4.072 20 30 DIEDHN CCc1cnccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611395093 1057596574 /nfs/dbraw/zinc/59/65/74/1057596574.db2.gz LGHWDWNSCPYXNM-XOBRGWDASA-N 0 3 305.425 4.244 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](CC1CC1)c1ccccc1 ZINC000611395776 1057596942 /nfs/dbraw/zinc/59/69/42/1057596942.db2.gz SXWLWTCCKXHUNB-LJQANCHMSA-N 0 3 306.409 4.198 20 30 DIEDHN CC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000611433733 1057600248 /nfs/dbraw/zinc/60/02/48/1057600248.db2.gz OKTCQXNEKPNNKM-KRWDZBQOSA-N 0 3 324.428 4.057 20 30 DIEDHN C=CC1CCN(Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000732181057 1057769817 /nfs/dbraw/zinc/76/98/17/1057769817.db2.gz JHDVONAWJVGLCB-UHFFFAOYSA-N 0 3 323.412 4.207 20 30 DIEDHN CC[C@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732901143 1057791749 /nfs/dbraw/zinc/79/17/49/1057791749.db2.gz KBDYHPHCCNOCBZ-HZPDHXFCSA-N 0 3 318.376 4.273 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OCCC)cc2)cc1 ZINC000733326161 1057813169 /nfs/dbraw/zinc/81/31/69/1057813169.db2.gz LQZXNBYGVHWSNX-KRWDZBQOSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000733325945 1057813262 /nfs/dbraw/zinc/81/32/62/1057813262.db2.gz AGTZCDVCRKERGE-FQEVSTJZSA-N 0 3 323.461 4.166 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cc(C)ccc3C#N)c(C)c2)CC1 ZINC001245600909 1058279253 /nfs/dbraw/zinc/27/92/53/1058279253.db2.gz DYOSINOACBILOS-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN CC[C@@H](CC1CCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001518066598 1058310569 /nfs/dbraw/zinc/31/05/69/1058310569.db2.gz SQYNNPCIHCQOES-GXTWGEPZSA-N 0 3 306.356 4.143 20 30 DIEDHN CC[C@@H](CC1CCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001518066602 1058311633 /nfs/dbraw/zinc/31/16/33/1058311633.db2.gz SQYNNPCIHCQOES-JSGCOSHPSA-N 0 3 306.356 4.143 20 30 DIEDHN Clc1cccc(C#CCN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001559560973 1059379060 /nfs/dbraw/zinc/37/90/60/1059379060.db2.gz WNTVGZJXOMMRKU-IBGZPJMESA-N 0 3 309.840 4.256 20 30 DIEDHN FC(F)(F)Oc1ccc(C#CCN2CCC3(CCCC3)C2)cc1 ZINC001559560938 1059381162 /nfs/dbraw/zinc/38/11/62/1059381162.db2.gz VWAPNTKSBUJWBB-UHFFFAOYSA-N 0 3 323.358 4.203 20 30 DIEDHN Cc1ccccc1SC[C@@H](C)CN(CCC#N)CC1CC1 ZINC001559578864 1059411972 /nfs/dbraw/zinc/41/19/72/1059411972.db2.gz VKMPBSGVSFLKDL-HNNXBMFYSA-N 0 3 302.487 4.349 20 30 DIEDHN CC(C)CC[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559627449 1059456008 /nfs/dbraw/zinc/45/60/08/1059456008.db2.gz YNEDMIZOFQCUME-QGZVFWFLSA-N 0 3 315.417 4.257 20 30 DIEDHN COc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1C ZINC001559675058 1059503936 /nfs/dbraw/zinc/50/39/36/1059503936.db2.gz ZSXMYAXDKPUMOV-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN N#CC(C(=O)CCCCCc1cccs1)c1cccc(F)n1 ZINC001524703670 1059583896 /nfs/dbraw/zinc/58/38/96/1059583896.db2.gz GEAGLDQEGZSJRV-CQSZACIVSA-N 0 3 316.401 4.262 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC001532310989 1059584579 /nfs/dbraw/zinc/58/45/79/1059584579.db2.gz GTVYGLOEHCYLQW-DLBZAZTESA-N 0 3 310.526 4.362 20 30 DIEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775699 1059613520 /nfs/dbraw/zinc/61/35/20/1059613520.db2.gz MLLNPTAWFZDSJX-IRXDYDNUSA-N 0 3 320.864 4.285 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2ccc(C)cc2C)CCCC1(C)C ZINC001559797071 1059631955 /nfs/dbraw/zinc/63/19/55/1059631955.db2.gz FSXWKEJQEIKJDQ-SFHVURJKSA-N 0 3 314.473 4.309 20 30 DIEDHN N#Cc1ccc(CN2CCCC[C@H]2C2CCC2)c(OC(F)F)c1 ZINC001559970126 1059774961 /nfs/dbraw/zinc/77/49/61/1059774961.db2.gz CVQLLNBZIUIDPR-INIZCTEOSA-N 0 3 320.383 4.314 20 30 DIEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC001525552519 1059932070 /nfs/dbraw/zinc/93/20/70/1059932070.db2.gz ITQZZTYTXMDZMA-MRXNPFEDSA-N 0 3 322.880 4.051 20 30 DIEDHN C=CCCCN(CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC001560204490 1059985189 /nfs/dbraw/zinc/98/51/89/1059985189.db2.gz NIQVGPQSBZSXHT-UHFFFAOYSA-N 0 3 306.356 4.408 20 30 DIEDHN C=CCCCN(CC)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001560204289 1059985687 /nfs/dbraw/zinc/98/56/87/1059985687.db2.gz FRHIGVDNWGBJMM-INIZCTEOSA-N 0 3 320.452 4.023 20 30 DIEDHN C=CCCCC[N@@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252483 1060203681 /nfs/dbraw/zinc/20/36/81/1060203681.db2.gz LIJIFWKNARCLGH-UHFFFAOYSA-N 0 3 301.430 4.365 20 30 DIEDHN C=CCCCC[N@H+](C)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001249252483 1060203697 /nfs/dbraw/zinc/20/36/97/1060203697.db2.gz LIJIFWKNARCLGH-UHFFFAOYSA-N 0 3 301.430 4.365 20 30 DIEDHN C=CCCCCN(C)Cc1nc2cc(Br)ccc2o1 ZINC001249537641 1060281586 /nfs/dbraw/zinc/28/15/86/1060281586.db2.gz ZIUOYWGQNVKNIL-UHFFFAOYSA-N 0 3 323.234 4.378 20 30 DIEDHN C=C(CC)CNCc1cc(Cl)ccc1OCc1cccnc1 ZINC001560503100 1060300024 /nfs/dbraw/zinc/30/00/24/1060300024.db2.gz AHXIKMNMERVICY-UHFFFAOYSA-N 0 3 316.832 4.370 20 30 DIEDHN Cc1cc(CNCc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001560534983 1060337152 /nfs/dbraw/zinc/33/71/52/1060337152.db2.gz BAVJFQHZFADLNO-UHFFFAOYSA-N 0 3 305.208 4.463 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)[C@@H](C)C2)cc1OC ZINC001560687249 1060532142 /nfs/dbraw/zinc/53/21/42/1060532142.db2.gz IXOTXVAIRQKHBK-STQMWFEESA-N 0 3 309.837 4.001 20 30 DIEDHN N#Cc1ccc(CN(Cc2cccc3c2NCCC3)C2CC2)cc1 ZINC001560706480 1060564223 /nfs/dbraw/zinc/56/42/23/1060564223.db2.gz KZXWXPWMZAXJGY-UHFFFAOYSA-N 0 3 317.436 4.081 20 30 DIEDHN N#Cc1ccccc1Cc1cccc(CN2CCCCC2)c1F ZINC001250047244 1060566676 /nfs/dbraw/zinc/56/66/76/1060566676.db2.gz FFNITHNOVNOMBJ-UHFFFAOYSA-N 0 3 308.400 4.274 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cc(F)cc(OCC)c1 ZINC001560709099 1060568051 /nfs/dbraw/zinc/56/80/51/1060568051.db2.gz ZXMQKMLYOYICSO-UHFFFAOYSA-N 0 3 303.377 4.048 20 30 DIEDHN N#Cc1ccc(Cc2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001250055402 1060573267 /nfs/dbraw/zinc/57/32/67/1060573267.db2.gz GWGLINLKMGBRNK-UHFFFAOYSA-N 0 3 308.400 4.274 20 30 DIEDHN C=CCN(Cc1ccc(OCc2cccc(OC)c2)cc1)C1CC1 ZINC001560742155 1060609606 /nfs/dbraw/zinc/60/96/06/1060609606.db2.gz TZDXXZLMUZGGFV-UHFFFAOYSA-N 0 3 323.436 4.425 20 30 DIEDHN C=CC[C@@H](CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001560791162 1060651322 /nfs/dbraw/zinc/65/13/22/1060651322.db2.gz CEAIMRBRHCYSQT-GOSISDBHSA-N 0 3 311.425 4.416 20 30 DIEDHN C#C[C@@H](C)N(C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001560792995 1060651929 /nfs/dbraw/zinc/65/19/29/1060651929.db2.gz BOYKILTYMANAAU-IBWPDUFMSA-N 0 3 305.421 4.232 20 30 DIEDHN C#C[C@H](N[C@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854243 1060712120 /nfs/dbraw/zinc/71/21/20/1060712120.db2.gz DQZQGCTYLCTMIC-WBMJQRKESA-N 0 3 306.247 4.292 20 30 DIEDHN C#C[C@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865266 1060724853 /nfs/dbraw/zinc/72/48/53/1060724853.db2.gz VGAHDQUNVDZZAW-QAPCUYQASA-N 0 3 320.823 4.253 20 30 DIEDHN N#CC1(CN[C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891126 1060754626 /nfs/dbraw/zinc/75/46/26/1060754626.db2.gz ZGOOXYNDIUKCKK-CJNGLKHVSA-N 0 3 322.374 4.414 20 30 DIEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC001462204875 1061025110 /nfs/dbraw/zinc/02/51/10/1061025110.db2.gz WGRIBZLAKBHZFK-CQSZACIVSA-N 0 3 319.326 4.288 20 30 DIEDHN CCCCO[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260045 1061034178 /nfs/dbraw/zinc/03/41/78/1061034178.db2.gz PRPYIWGAZUACPU-MOPGFXCFSA-N 0 3 317.448 4.093 20 30 DIEDHN CCCCCCCCCCN1CCN(c2ccc(F)cn2)CC1 ZINC001473317628 1061082015 /nfs/dbraw/zinc/08/20/15/1061082015.db2.gz AIYJWWNEZVBLMK-UHFFFAOYSA-N 0 3 321.484 4.483 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001473319492 1061085674 /nfs/dbraw/zinc/08/56/74/1061085674.db2.gz UXHHMGKKAFXMDU-VQTJNVASSA-N 0 3 311.425 4.230 20 30 DIEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC001462337027 1061113429 /nfs/dbraw/zinc/11/34/29/1061113429.db2.gz XMNDIMTXSAOXHB-PXNSSMCTSA-N 0 3 308.400 4.465 20 30 DIEDHN N#Cc1ccc(CNCc2cccc(CC3CCC3)c2)cc1F ZINC001462350064 1061121500 /nfs/dbraw/zinc/12/15/00/1061121500.db2.gz VLTTVVMAWUSXCP-UHFFFAOYSA-N 0 3 308.400 4.330 20 30 DIEDHN CCc1cccc(Cl)c1CN(C)CCc1cccc(C#N)c1 ZINC001462518830 1061230312 /nfs/dbraw/zinc/23/03/12/1061230312.db2.gz MDYZIXYIHCLTNV-UHFFFAOYSA-N 0 3 312.844 4.449 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001455763362 1061235024 /nfs/dbraw/zinc/23/50/24/1061235024.db2.gz WOMOVLLLZZIDEH-OKZBNKHCSA-N 0 3 308.510 4.068 20 30 DIEDHN CC(C)(NCc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 ZINC001473636088 1061307105 /nfs/dbraw/zinc/30/71/05/1061307105.db2.gz MDVLYJXKTDAKKM-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN CC(C)(NCc1ccc([Si](C)(C)C)cc1)c1cccc(C#N)c1 ZINC001473636108 1061308000 /nfs/dbraw/zinc/30/80/00/1061308000.db2.gz MWGOEDHZODTFPJ-UHFFFAOYSA-N 0 3 322.528 4.128 20 30 DIEDHN Cc1[nH]c2ccccc2c1SCCNCC#Cc1ccccc1 ZINC001462674804 1061329967 /nfs/dbraw/zinc/32/99/67/1061329967.db2.gz WNPXPMXUPHVMTD-UHFFFAOYSA-N 0 3 320.461 4.210 20 30 DIEDHN C=CCCC[C@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC001473760066 1061396629 /nfs/dbraw/zinc/39/66/29/1061396629.db2.gz VXGYOGBCQLBLNE-SFHVURJKSA-N 0 3 316.489 4.226 20 30 DIEDHN C=CCOc1cccc(CN[C@@H]2CSCc3ccccc32)c1 ZINC001473993397 1061537496 /nfs/dbraw/zinc/53/74/96/1061537496.db2.gz XCYFCCDOACOWLJ-LJQANCHMSA-N 0 3 311.450 4.329 20 30 DIEDHN C=CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1ccncc1 ZINC001474008130 1061550448 /nfs/dbraw/zinc/55/04/48/1061550448.db2.gz WAVZGPCEPWZSPX-HXUWFJFHSA-N 0 3 309.457 4.335 20 30 DIEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC001474011246 1061552681 /nfs/dbraw/zinc/55/26/81/1061552681.db2.gz OJRVPHOSZHACKZ-ZDUSSCGKSA-N 0 3 303.352 4.380 20 30 DIEDHN CCCCCCCC[C@H](O)CN[C@H](C)c1nc2ccccc2[nH]1 ZINC001252131431 1061589356 /nfs/dbraw/zinc/58/93/56/1061589356.db2.gz NPDCYLHECWXMDJ-CVEARBPZSA-N 0 3 317.477 4.325 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1cc2ccccc2cn1 ZINC001252137611 1061593734 /nfs/dbraw/zinc/59/37/34/1061593734.db2.gz ZJXHFENIUJFTRJ-HXUWFJFHSA-N 0 3 314.473 4.436 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1cc(OC(C)C)ccn1 ZINC001252138808 1061597187 /nfs/dbraw/zinc/59/71/87/1061597187.db2.gz GGGLVPRDPJVZQA-SFHVURJKSA-N 0 3 322.493 4.070 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1cccc(OC)c1F ZINC001252140312 1061600351 /nfs/dbraw/zinc/60/03/51/1061600351.db2.gz PNEKIANGQPWXSQ-MRXNPFEDSA-N 0 3 311.441 4.035 20 30 DIEDHN COc1cc(C)ccc1Oc1ccccc1CNCCCC#N ZINC001474111316 1061661829 /nfs/dbraw/zinc/66/18/29/1061661829.db2.gz XWAYJWZIQJWLJM-UHFFFAOYSA-N 0 3 310.397 4.189 20 30 DIEDHN C=CCC[C@H](O)CN1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001252601689 1061672953 /nfs/dbraw/zinc/67/29/53/1061672953.db2.gz CPIYLUAVUZGWBO-WTOYTKOKSA-N 0 3 319.448 4.190 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1OC ZINC001474198260 1061746613 /nfs/dbraw/zinc/74/66/13/1061746613.db2.gz ZUNSAMZFQJGSTO-LJQANCHMSA-N 0 3 323.436 4.346 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cc(OC)ccn1 ZINC001252986382 1061775084 /nfs/dbraw/zinc/77/50/84/1061775084.db2.gz MABLWEFCUMUEGI-GOSISDBHSA-N 0 3 322.493 4.072 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ccc(F)cn1 ZINC001252987164 1061779758 /nfs/dbraw/zinc/77/97/58/1061779758.db2.gz RFMWZBJVMLVNLQ-GOSISDBHSA-N 0 3 310.457 4.202 20 30 DIEDHN C#CC[C@H](COC)NCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001474225889 1061787003 /nfs/dbraw/zinc/78/70/03/1061787003.db2.gz AAMZRMHBNRAEMF-QGZVFWFLSA-N 0 3 313.828 4.135 20 30 DIEDHN Cc1ccc(CNCc2ccc(SC(F)F)cc2)cc1C#N ZINC001474263978 1061829553 /nfs/dbraw/zinc/82/95/53/1061829553.db2.gz JCOWGFRFWPSDST-UHFFFAOYSA-N 0 3 318.392 4.471 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN(C)CCC(=O)c1ccccc1 ZINC001253241385 1061841377 /nfs/dbraw/zinc/84/13/77/1061841377.db2.gz VTARJHOWJFUOGK-LJQANCHMSA-N 0 3 317.473 4.079 20 30 DIEDHN C=CCCCCCC[C@H](O)CN1CCC(=O)[C@@H](C)C12CCCC2 ZINC001253243291 1061841523 /nfs/dbraw/zinc/84/15/23/1061841523.db2.gz UDRXQGLSINYGSX-MSOLQXFVSA-N 0 3 321.505 4.098 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1cc(F)c(F)c(F)c1 ZINC001253247371 1061848730 /nfs/dbraw/zinc/84/87/30/1061848730.db2.gz IOZFQGSQRUSMTJ-AWEZNQCLSA-N 0 3 315.379 4.081 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](C)[C@H]2C)cc1OC ZINC001474333085 1061921571 /nfs/dbraw/zinc/92/15/71/1061921571.db2.gz WBDFUGAXXGCCRD-CHWSQXEVSA-N 0 3 309.837 4.144 20 30 DIEDHN CCCCCCCCCCCC[C@@H](O)CNCc1c[nH]cn1 ZINC001253563270 1061927401 /nfs/dbraw/zinc/92/74/01/1061927401.db2.gz JWRYTIPTHCDKRD-GOSISDBHSA-N 0 3 309.498 4.171 20 30 DIEDHN COCc1c(C)cc(C)c(CN(C)Cc2cccc(C#N)c2)c1C ZINC001474401381 1062059647 /nfs/dbraw/zinc/05/96/47/1062059647.db2.gz LPXBNZDDLDHFOO-UHFFFAOYSA-N 0 3 322.452 4.262 20 30 DIEDHN CCCN(CCC#N)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356758 1062084883 /nfs/dbraw/zinc/08/48/83/1062084883.db2.gz TTWCRTNBVXZKGC-UHFFFAOYSA-N 0 3 313.420 4.155 20 30 DIEDHN Cc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1C#N ZINC001459355275 1062107778 /nfs/dbraw/zinc/10/77/78/1062107778.db2.gz PZBNZHHFGXHYOB-OAQYLSRUSA-N 0 3 320.436 4.048 20 30 DIEDHN CCOc1ccc2c(c1)CN(CCCCC1(C#N)CCC1)CC2 ZINC001459361615 1062114068 /nfs/dbraw/zinc/11/40/68/1062114068.db2.gz AXEAEILFTAFBGW-UHFFFAOYSA-N 0 3 312.457 4.308 20 30 DIEDHN C#CCN(Cc1csc(Br)c1)C1CCCCC1 ZINC001459394352 1062128579 /nfs/dbraw/zinc/12/85/79/1062128579.db2.gz VQKHNVNBQIFVHB-UHFFFAOYSA-N 0 3 312.276 4.279 20 30 DIEDHN Cc1ccc([C@H]2C[C@H](C)N(Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482752 1062160966 /nfs/dbraw/zinc/16/09/66/1062160966.db2.gz HIYZRRXDSMXKPG-YJBOKZPZSA-N 0 3 308.400 4.384 20 30 DIEDHN C=CCCCCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001459486255 1062164484 /nfs/dbraw/zinc/16/44/84/1062164484.db2.gz RPGYFCOFLGJPRR-QGZVFWFLSA-N 0 3 320.864 4.124 20 30 DIEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001474509063 1062190498 /nfs/dbraw/zinc/19/04/98/1062190498.db2.gz KHEKLWXORJEJOX-DSKINZAPSA-N 0 3 320.411 4.465 20 30 DIEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1ccncc1C#N ZINC001459550298 1062200428 /nfs/dbraw/zinc/20/04/28/1062200428.db2.gz MVSNIXWDBZKGRD-HXUWFJFHSA-N 0 3 307.441 4.105 20 30 DIEDHN C#C[C@@H](NCCc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC001474544898 1062240814 /nfs/dbraw/zinc/24/08/14/1062240814.db2.gz WOXZQDAZLANWIO-QGZVFWFLSA-N 0 3 305.755 4.125 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC(CCC(C)C)CC1 ZINC001459666842 1062289252 /nfs/dbraw/zinc/28/92/52/1062289252.db2.gz BQYLOYXBQWXCQL-UHFFFAOYSA-N 0 3 300.446 4.215 20 30 DIEDHN N#CCCN(C1C[C@H]2CC(=O)C[C@@H]2C1)C1CCCCCCC1 ZINC001254950327 1062290172 /nfs/dbraw/zinc/29/01/72/1062290172.db2.gz FBIUTCITOWAPSG-HOTGVXAUSA-N 0 3 302.462 4.073 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614674 1062336812 /nfs/dbraw/zinc/33/68/12/1062336812.db2.gz YVQUSBRFWZLLGQ-WFASDCNBSA-N 0 3 304.409 4.346 20 30 DIEDHN CC[C@H](CC#N)NCC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001255162590 1062351025 /nfs/dbraw/zinc/35/10/25/1062351025.db2.gz UDQIPMFYVWXOLD-MRXNPFEDSA-N 0 3 321.415 4.102 20 30 DIEDHN CC[C@H](CC#N)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001255177443 1062354453 /nfs/dbraw/zinc/35/44/53/1062354453.db2.gz RYYDSNGFLYMWDM-HZPDHXFCSA-N 0 3 321.262 4.148 20 30 DIEDHN C=CC[C@H]1CCN(Cc2cc(Br)c(C)s2)C1 ZINC001474647806 1062375479 /nfs/dbraw/zinc/37/54/79/1062375479.db2.gz UWSQUVZTCMLETP-NSHDSACASA-N 0 3 300.265 4.217 20 30 DIEDHN N#Cc1ccc(CCN2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001459765076 1062377210 /nfs/dbraw/zinc/37/72/10/1062377210.db2.gz WVRRJHNFVXQIEM-UHFFFAOYSA-N 0 3 320.411 4.419 20 30 DIEDHN C[C@H](CCC#N)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001459824049 1062428217 /nfs/dbraw/zinc/42/82/17/1062428217.db2.gz GBJCAHPWGGMTHS-NXEZZACHSA-N 0 3 302.752 4.284 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@H](OC(C)C)c1ccccc1 ZINC001459838378 1062438086 /nfs/dbraw/zinc/43/80/86/1062438086.db2.gz UBUXDHBSHYTTQE-FQEVSTJZSA-N 0 3 313.441 4.476 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC001459929590 1062500701 /nfs/dbraw/zinc/50/07/01/1062500701.db2.gz FBBQGPIBEOITOK-ZFWWWQNUSA-N 0 3 310.363 4.338 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255706024 1062530762 /nfs/dbraw/zinc/53/07/62/1062530762.db2.gz NZZHNIBNXAELFH-HZPDHXFCSA-N 0 3 308.347 4.037 20 30 DIEDHN CCCCO[C@@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081406 1062621607 /nfs/dbraw/zinc/62/16/07/1062621607.db2.gz YFSZRIWDNSOCDG-ZWKOTPCHSA-N 0 3 319.876 4.265 20 30 DIEDHN CCCCCCCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001460148655 1062667291 /nfs/dbraw/zinc/66/72/91/1062667291.db2.gz PNQGVXAVGNBXHJ-IRXDYDNUSA-N 0 3 310.526 4.314 20 30 DIEDHN COc1cc2c(cc1Cl)CN(CC1CCC(C#N)CC1)CC2 ZINC001460182518 1062685962 /nfs/dbraw/zinc/68/59/62/1062685962.db2.gz RMFWZIUXPFMDJQ-UHFFFAOYSA-N 0 3 318.848 4.037 20 30 DIEDHN C=CCN(Cc1ccc([C@H](C)C(F)(F)F)cc1)[C@@H](C)COC ZINC001460408986 1062842273 /nfs/dbraw/zinc/84/22/73/1062842273.db2.gz NWYYXGXQEZCQIC-KBPBESRZSA-N 0 3 315.379 4.375 20 30 DIEDHN CC[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC001460445318 1062861604 /nfs/dbraw/zinc/86/16/04/1062861604.db2.gz RQFWKJJFYQCLSL-ZIAGYGMSSA-N 0 3 306.837 4.253 20 30 DIEDHN CC[C@@H]1CCC[C@H](C)N1Cc1cc(Cl)ccc1OCC#N ZINC001460483098 1062871796 /nfs/dbraw/zinc/87/17/96/1062871796.db2.gz RDHHORQTJHLTNF-XJKSGUPXSA-N 0 3 306.837 4.395 20 30 DIEDHN C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1[O-] ZINC001460641019 1062958984 /nfs/dbraw/zinc/95/89/84/1062958984.db2.gz WSJHLWUHBJBCMN-LLVKDONJSA-N 0 3 320.314 4.133 20 30 DIEDHN N#CC1CCC(n2c3ccccc3nc2[C@@H]2CCCCN2)CC1 ZINC001256970014 1063066837 /nfs/dbraw/zinc/06/68/37/1063066837.db2.gz SABAMNROHXJKEX-DQPZFDDXSA-N 0 3 308.429 4.106 20 30 DIEDHN C[C@]1(F)CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257017678 1063080973 /nfs/dbraw/zinc/08/09/73/1063080973.db2.gz YHHSBSJGFRTXRQ-BTRQGYIVSA-N 0 3 318.411 4.356 20 30 DIEDHN CCCc1cc(CN)nn1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257014444 1063081601 /nfs/dbraw/zinc/08/16/01/1063081601.db2.gz PDHQIQKFYDUGAC-UHFFFAOYSA-N 0 3 322.456 4.065 20 30 DIEDHN CCOC(=O)[C@H]1CC[C@@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001257064729 1063096059 /nfs/dbraw/zinc/09/60/59/1063096059.db2.gz XAJDATQWTJZQOC-FUHWJXTLSA-N 0 3 320.477 4.047 20 30 DIEDHN CCOC(=O)[C@H]1CC[C@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001257064731 1063099675 /nfs/dbraw/zinc/09/96/75/1063099675.db2.gz XAJDATQWTJZQOC-WMZOPIPTSA-N 0 3 320.477 4.047 20 30 DIEDHN C=CCCCN(CC)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001460897408 1063122447 /nfs/dbraw/zinc/12/24/47/1063122447.db2.gz CTWSREWXZUKVQZ-HNNXBMFYSA-N 0 3 322.880 4.148 20 30 DIEDHN CCC[C@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC001460896321 1063123581 /nfs/dbraw/zinc/12/35/81/1063123581.db2.gz AXJHIDRXNPVEEZ-AWEZNQCLSA-N 0 3 307.235 4.085 20 30 DIEDHN C=CC[C@H]1CCN1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC001460911995 1063131523 /nfs/dbraw/zinc/13/15/23/1063131523.db2.gz XDLBTOIWQHRHPD-KRWDZBQOSA-N 0 3 313.832 4.256 20 30 DIEDHN C=CCc1cc(CN[C@H](C)c2ccc(C)s2)cc(OC)c1O ZINC001461106928 1063256963 /nfs/dbraw/zinc/25/69/63/1063256963.db2.gz RLRBCEBXYGVSTH-CYBMUJFWSA-N 0 3 317.454 4.350 20 30 DIEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CC(C)(C)OC1(C)C ZINC001473118588 1063421600 /nfs/dbraw/zinc/42/16/00/1063421600.db2.gz MWUUEZLISWUHKE-INIZCTEOSA-N 0 3 305.437 4.407 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001473132167 1063439782 /nfs/dbraw/zinc/43/97/82/1063439782.db2.gz UTZKJNCCXIAPIA-UXHICEINSA-N 0 3 306.384 4.241 20 30 DIEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001473158224 1063463104 /nfs/dbraw/zinc/46/31/04/1063463104.db2.gz HWUMCPGJIUZMJP-OAHLLOKOSA-N 0 3 308.878 4.319 20 30 DIEDHN CCCCCCC[C@@H](C)n1nc(C(F)(F)F)c2c1CCNC2 ZINC001258050507 1063481326 /nfs/dbraw/zinc/48/13/26/1063481326.db2.gz WIDGFEACDRZPJD-GFCCVEGCSA-N 0 3 317.399 4.469 20 30 DIEDHN CCCCCCCCCCC[C@H](C)n1cc(CN)cnc1=N ZINC001258050993 1063483118 /nfs/dbraw/zinc/48/31/18/1063483118.db2.gz ANDVUNLMAGUZLN-INIZCTEOSA-N 0 3 306.498 4.303 20 30 DIEDHN CCCCCCCCCCC[C@@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258053266 1063485343 /nfs/dbraw/zinc/48/53/43/1063485343.db2.gz XWQMZKZHGBWLHC-QZTJIDSGSA-N 0 3 323.525 4.397 20 30 DIEDHN C[C@H](CC(C)(C)SCc1ccco1)N1CC[C@@](C)(C#N)C1 ZINC001258315083 1063605632 /nfs/dbraw/zinc/60/56/32/1063605632.db2.gz ATHOHZGCBDRKFC-PBHICJAKSA-N 0 3 306.475 4.306 20 30 DIEDHN COc1cc(CNCc2ccc(CC#N)cc2)cc2ccccc21 ZINC001461610012 1063610969 /nfs/dbraw/zinc/61/09/69/1063610969.db2.gz RDKWOZWMJDUDIP-UHFFFAOYSA-N 0 3 316.404 4.204 20 30 DIEDHN Cc1ccc(CNCc2cc(C)c3ncccc3c2)cc1C#N ZINC001461742711 1063690819 /nfs/dbraw/zinc/69/08/19/1063690819.db2.gz NTKLAYMNAYCCIN-UHFFFAOYSA-N 0 3 301.393 4.013 20 30 DIEDHN C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1cc(C#N)co1 ZINC001258675733 1063744807 /nfs/dbraw/zinc/74/48/07/1063744807.db2.gz CROPWNGLUOPLGN-JTQLQIEISA-N 0 3 309.196 4.179 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2c1CCC2 ZINC001461884197 1063774237 /nfs/dbraw/zinc/77/42/37/1063774237.db2.gz ROWCKNRUNHWFQZ-FCHUYYIVSA-N 0 3 316.448 4.447 20 30 DIEDHN CC(C)N(CC#Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001461921781 1063804107 /nfs/dbraw/zinc/80/41/07/1063804107.db2.gz UDUYBRWNYBEMIV-UHFFFAOYSA-N 0 3 306.453 4.015 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OC)c(OC2CC2)c1)c1ccccc1 ZINC001261787960 1063946087 /nfs/dbraw/zinc/94/60/87/1063946087.db2.gz HLHATIZPMCLNRU-LJQANCHMSA-N 0 3 321.420 4.091 20 30 DIEDHN Cc1cc(C#N)cc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001307146411 1065285142 /nfs/dbraw/zinc/28/51/42/1065285142.db2.gz HRODQWYWFGFQKR-SFHVURJKSA-N 0 3 323.465 4.018 20 30 DIEDHN C#CCN(C[C@H](OC)c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001307431275 1065391194 /nfs/dbraw/zinc/39/11/94/1065391194.db2.gz VNGRUODKIBSFNA-SFTDATJTSA-N 0 3 323.411 4.136 20 30 DIEDHN N#Cc1ccccc1N1CCN(CCC2CCCCCC2)CC1 ZINC001307445455 1065403611 /nfs/dbraw/zinc/40/36/11/1065403611.db2.gz AOQKDSWMEDVQTL-UHFFFAOYSA-N 0 3 311.473 4.041 20 30 DIEDHN C#CCN(CCCc1c(F)cccc1F)Cc1ccc(F)cc1 ZINC001307444637 1065403657 /nfs/dbraw/zinc/40/36/57/1065403657.db2.gz GTBFPOBUGKZMJS-UHFFFAOYSA-N 0 3 317.354 4.172 20 30 DIEDHN Cc1ccc([C@@H]2CCCCCN2CCOc2ccccc2C#N)o1 ZINC001307488125 1065431555 /nfs/dbraw/zinc/43/15/55/1065431555.db2.gz RBZWSROHWYPQQZ-SFHVURJKSA-N 0 3 324.424 4.456 20 30 DIEDHN C=CCCCCN(CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC001307566132 1065485736 /nfs/dbraw/zinc/48/57/36/1065485736.db2.gz JLHQFZDQAMBLKD-UHFFFAOYSA-N 0 3 308.853 4.347 20 30 DIEDHN N#CCC1(CN[C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC001307621411 1065521541 /nfs/dbraw/zinc/52/15/41/1065521541.db2.gz IMDIRTFAGQJLPM-GOSISDBHSA-N 0 3 324.399 4.229 20 30 DIEDHN N#Cc1ccc(CN2CCCc3ccccc3CC2)c(Cl)c1 ZINC001307772789 1065613114 /nfs/dbraw/zinc/61/31/14/1065613114.db2.gz IGYWFDYLCLIWOJ-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN CC(C)CN(Cc1cccc(Cl)c1)Cc1cncc(C#N)c1 ZINC001307957580 1065700478 /nfs/dbraw/zinc/70/04/78/1065700478.db2.gz JIAAWUQKFJSFMD-UHFFFAOYSA-N 0 3 313.832 4.265 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3ccc4[nH]ccc4c3)CC2)s1 ZINC001308133933 1065775257 /nfs/dbraw/zinc/77/52/57/1065775257.db2.gz FDXJZRGNYGUREX-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN CCC[C@](C)(NCc1cc(C#N)ccc1OC)c1ccccc1 ZINC001308153008 1065782880 /nfs/dbraw/zinc/78/28/80/1065782880.db2.gz CSZAJVDQPNSMSU-FQEVSTJZSA-N 0 3 308.425 4.372 20 30 DIEDHN C=CCOc1ccccc1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001308271288 1065870595 /nfs/dbraw/zinc/87/05/95/1065870595.db2.gz MSGAPGUNXFFKGG-BQYQJAHWSA-N 0 3 322.452 4.120 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC001308296283 1065892696 /nfs/dbraw/zinc/89/26/96/1065892696.db2.gz XWWRYGGBTILYKA-MAUKXSAKSA-N 0 3 317.860 4.410 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC001308296281 1065893004 /nfs/dbraw/zinc/89/30/04/1065893004.db2.gz XWWRYGGBTILYKA-CRAIPNDOSA-N 0 3 317.860 4.410 20 30 DIEDHN C#C[C@@H](NCc1sc2c(cccc2Cl)c1C)[C@@H]1CCCO1 ZINC001308378389 1065951282 /nfs/dbraw/zinc/95/12/82/1065951282.db2.gz XFKJEGUMRVVSAG-CABCVRRESA-N 0 3 319.857 4.134 20 30 DIEDHN N#Cc1ccc(CNC/C=C\c2cccc(F)c2)cc1Cl ZINC001308382837 1065955607 /nfs/dbraw/zinc/95/56/07/1065955607.db2.gz BVWHELAWSNIYCF-RQOWECAXSA-N 0 3 300.764 4.154 20 30 DIEDHN CCc1cccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1O ZINC001308579620 1066097470 /nfs/dbraw/zinc/09/74/70/1066097470.db2.gz ZNDNRBFWOBTPSH-UXHICEINSA-N 0 3 320.436 4.226 20 30 DIEDHN CCOc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC001308608236 1066114804 /nfs/dbraw/zinc/11/48/04/1066114804.db2.gz COVLAJCMFLEMJL-UHFFFAOYSA-N 0 3 312.413 4.208 20 30 DIEDHN C=C(C)CN(CCc1cc(C)cc(C)c1)Cc1ccc(CO)o1 ZINC001308758311 1066229773 /nfs/dbraw/zinc/22/97/73/1066229773.db2.gz ODCYVPMOGSZFMI-UHFFFAOYSA-N 0 3 313.441 4.010 20 30 DIEDHN C#CC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001308831212 1066306758 /nfs/dbraw/zinc/30/67/58/1066306758.db2.gz DUVLYEUZOFJKLS-CQSZACIVSA-N 0 3 324.390 4.007 20 30 DIEDHN Cc1ccc2cc(CNC(C)(C)c3cccc(C#N)c3)ccc2n1 ZINC001308861771 1066341012 /nfs/dbraw/zinc/34/10/12/1066341012.db2.gz HFZWFGWDKLFRQT-UHFFFAOYSA-N 0 3 315.420 4.440 20 30 DIEDHN CC(C)(NCc1cncc2ccccc21)c1cccc(C#N)c1 ZINC001308861612 1066342229 /nfs/dbraw/zinc/34/22/29/1066342229.db2.gz AJTIDCOEIKSXJI-UHFFFAOYSA-N 0 3 301.393 4.131 20 30 DIEDHN Cc1cc(F)ccc1[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC001308931429 1066404355 /nfs/dbraw/zinc/40/43/55/1066404355.db2.gz PWZJHFJZLLCWGO-IJNIYJAUSA-N 0 3 308.400 4.409 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC001308957437 1066418286 /nfs/dbraw/zinc/41/82/86/1066418286.db2.gz BATAUHBTUSXJGS-GJZGRUSLSA-N 0 3 317.845 4.094 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC001308957436 1066418566 /nfs/dbraw/zinc/41/85/66/1066418566.db2.gz BATAUHBTUSXJGS-CABCVRRESA-N 0 3 317.845 4.094 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000088764675 185264523 /nfs/dbraw/zinc/26/45/23/185264523.db2.gz DBFJHCPVKPFCSP-MRXNPFEDSA-N 0 3 305.425 4.009 20 30 DIEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776348 191227138 /nfs/dbraw/zinc/22/71/38/191227138.db2.gz IMVMIFBSYJFPHF-WMLDXEAASA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCSC2(CCCCC2)C1 ZINC000442668718 335001681 /nfs/dbraw/zinc/00/16/81/335001681.db2.gz FHBSHQCTRJMJDF-HNNXBMFYSA-N 0 3 300.471 4.371 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3c1cccc3Cl)CC2 ZINC000563783397 335007296 /nfs/dbraw/zinc/00/72/96/335007296.db2.gz WVAWRQOSKLJQNK-RBUKOAKNSA-N 0 3 308.812 4.476 20 30 DIEDHN CCCCOc1ccc(CNCc2ccc(C#N)cc2)cc1OC ZINC000061079367 335008485 /nfs/dbraw/zinc/00/84/85/335008485.db2.gz UWXNXHGGDVVWKA-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN C=CCOc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000286378352 335033586 /nfs/dbraw/zinc/03/35/86/335033586.db2.gz ANAAZZZCTYIFGP-FQEVSTJZSA-N 0 3 308.425 4.277 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000287638783 335048795 /nfs/dbraw/zinc/04/87/95/335048795.db2.gz UODUFZPRKDLJBE-OAHLLOKOSA-N 0 3 313.445 4.188 20 30 DIEDHN CN(Cc1ccccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273400114 130117491 /nfs/dbraw/zinc/11/74/91/130117491.db2.gz GSNRFUKNSUSZFV-WOJBJXKFSA-N 0 3 324.399 4.049 20 30 DIEDHN CSCc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000285557614 131180341 /nfs/dbraw/zinc/18/03/41/131180341.db2.gz FNQUGPPCSSTWCE-ZDUSSCGKSA-N 0 3 314.429 4.411 20 30 DIEDHN COCc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848267 132160223 /nfs/dbraw/zinc/16/02/23/132160223.db2.gz SEIACKTXFHMBID-CABCVRRESA-N 0 3 324.424 4.125 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1OCC ZINC000011046534 331522413 /nfs/dbraw/zinc/52/24/13/331522413.db2.gz OMMJIFVKRKYBEU-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCc3ccccc32)cc1 ZINC000025259625 331601352 /nfs/dbraw/zinc/60/13/52/331601352.db2.gz SSIBMIWMABQKJO-NRFANRHFSA-N 0 3 319.452 4.204 20 30 DIEDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973489 331678623 /nfs/dbraw/zinc/67/86/23/331678623.db2.gz FIKLSUQTIJYUOM-KBPBESRZSA-N 0 3 309.369 4.187 20 30 DIEDHN C=CCCOCCN[C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000556583312 331716661 /nfs/dbraw/zinc/71/66/61/331716661.db2.gz GYJPWAIZSHAFPA-CQSZACIVSA-N 0 3 311.853 4.371 20 30 DIEDHN C=CCCOCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000557276091 331780374 /nfs/dbraw/zinc/78/03/74/331780374.db2.gz LHMGOLUAGUYWLT-GOSISDBHSA-N 0 3 315.457 4.395 20 30 DIEDHN CC(C)(C)c1ccc(C2(CNC[C@H](C#N)CCC#N)CCC2)cc1 ZINC000558506692 331914980 /nfs/dbraw/zinc/91/49/80/331914980.db2.gz IKWJOUPDBRPWAT-KRWDZBQOSA-N 0 3 323.484 4.439 20 30 DIEDHN N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCCCCC1 ZINC000558506831 331915090 /nfs/dbraw/zinc/91/50/90/331915090.db2.gz PEYQHHBAXBBFTF-GOSISDBHSA-N 0 3 309.457 4.312 20 30 DIEDHN C=C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000518161251 331994228 /nfs/dbraw/zinc/99/42/28/331994228.db2.gz KDPDKSBSAXKRRW-UHFFFAOYSA-N 0 3 307.437 4.445 20 30 DIEDHN C[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000559228456 331996814 /nfs/dbraw/zinc/99/68/14/331996814.db2.gz QMGGFALRSMNACI-KRWDZBQOSA-N 0 3 311.473 4.155 20 30 DIEDHN N#Cc1cccc(CN[C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000127939269 332009297 /nfs/dbraw/zinc/00/92/97/332009297.db2.gz URUKHPNZKCSHJQ-CQSZACIVSA-N 0 3 302.830 4.440 20 30 DIEDHN CC(C)(C#N)CCCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000409447342 332031848 /nfs/dbraw/zinc/03/18/48/332031848.db2.gz NEIZCKPYVFLEQL-INIZCTEOSA-N 0 3 320.502 4.449 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1Cc2ccccc2C1 ZINC000569399255 332074703 /nfs/dbraw/zinc/07/47/03/332074703.db2.gz LIECUYUPAVOIJF-FCHUYYIVSA-N 0 3 316.448 4.173 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1ccc2nc(C)sc2c1 ZINC000426365686 332086849 /nfs/dbraw/zinc/08/68/49/332086849.db2.gz MOJCHULSPXXTOF-UHFFFAOYSA-N 0 3 312.438 4.428 20 30 DIEDHN C=CCOc1ccccc1CNCCc1nc2c(cccc2C)o1 ZINC000410325632 332111045 /nfs/dbraw/zinc/11/10/45/332111045.db2.gz ZUAYJKINIMOJAW-UHFFFAOYSA-N 0 3 322.408 4.033 20 30 DIEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000092223976 332122263 /nfs/dbraw/zinc/12/22/63/332122263.db2.gz AOYQBGNFVYNBID-IBGZPJMESA-N 0 3 307.441 4.466 20 30 DIEDHN CC(C)(CCC#N)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000093594594 332140288 /nfs/dbraw/zinc/14/02/88/332140288.db2.gz RRCRVMIZUCCCQH-MRXNPFEDSA-N 0 3 316.420 4.050 20 30 DIEDHN C=CCC[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520608 332349669 /nfs/dbraw/zinc/34/96/69/332349669.db2.gz RCFNZUIGPGBRPL-RBUKOAKNSA-N 0 3 312.457 4.049 20 30 DIEDHN COc1ccc(C[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)cc1 ZINC000560541347 332355384 /nfs/dbraw/zinc/35/53/84/332355384.db2.gz JACDUEVKKHSOGZ-FQEVSTJZSA-N 0 3 320.436 4.022 20 30 DIEDHN Cc1ccsc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000237772405 332389127 /nfs/dbraw/zinc/38/91/27/332389127.db2.gz QWXWTLFLLULBLX-UHFFFAOYSA-N 0 3 309.356 4.217 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000153541053 332389743 /nfs/dbraw/zinc/38/97/43/332389743.db2.gz PTIAKGPHGCCRFN-KBXCAEBGSA-N 0 3 312.438 4.376 20 30 DIEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1sccc1Br ZINC000578716974 332391181 /nfs/dbraw/zinc/39/11/81/332391181.db2.gz AHVKGLFBYMCWLN-VWYCJHECSA-N 0 3 313.264 4.244 20 30 DIEDHN CC(C)(CCC#N)CN1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000449665482 332470688 /nfs/dbraw/zinc/47/06/88/332470688.db2.gz MZQSOCULSOXFMK-UHFFFAOYSA-N 0 3 310.363 4.435 20 30 DIEDHN CC1(C)CCc2ccccc2[C@@H](NCc2ccc(C#N)cn2)C1 ZINC000562035507 332535041 /nfs/dbraw/zinc/53/50/41/332535041.db2.gz ATXIAGNPZKJSEL-IBGZPJMESA-N 0 3 305.425 4.147 20 30 DIEDHN C=CCOc1cccc(CNC2(c3ccccc3)CCOCC2)c1 ZINC000525697181 332623387 /nfs/dbraw/zinc/62/33/87/332623387.db2.gz CFIHMCNZOBWDLH-UHFFFAOYSA-N 0 3 323.436 4.047 20 30 DIEDHN C=C(C)[C@@H](NCCc1scnc1C)c1ccc(F)c(F)c1 ZINC000187788335 332628899 /nfs/dbraw/zinc/62/88/99/332628899.db2.gz ZVXQAWQQTLTACM-MRXNPFEDSA-N 0 3 308.397 4.179 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3c2cccc3OC)cc1 ZINC000151904488 332637703 /nfs/dbraw/zinc/63/77/03/332637703.db2.gz UVLCWKSRHRXGNN-IBGZPJMESA-N 0 3 309.409 4.037 20 30 DIEDHN C=CCC[C@H](NCc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000159908426 332639509 /nfs/dbraw/zinc/63/95/09/332639509.db2.gz IJTPTVOSCBXKCA-FQEVSTJZSA-N 0 3 308.425 4.442 20 30 DIEDHN CCC(=O)Nc1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000570474594 332761305 /nfs/dbraw/zinc/76/13/05/332761305.db2.gz BADIQEFETVQQHM-LJQANCHMSA-N 0 3 321.424 4.148 20 30 DIEDHN N#CCc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000580193816 332997320 /nfs/dbraw/zinc/99/73/20/332997320.db2.gz VUNITVULYGHFHG-OAQYLSRUSA-N 0 3 315.420 4.182 20 30 DIEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000582129975 333124443 /nfs/dbraw/zinc/12/44/43/333124443.db2.gz LORJKACKWTWAFC-KBPBESRZSA-N 0 3 313.832 4.231 20 30 DIEDHN N#CCOc1ccc(CN[C@H]2CCCCc3ccccc32)cc1 ZINC000177444886 333129090 /nfs/dbraw/zinc/12/90/90/333129090.db2.gz JUNZKGCROLWKMW-FQEVSTJZSA-N 0 3 306.409 4.146 20 30 DIEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1cc(C)ccc1OC ZINC000180552398 333163121 /nfs/dbraw/zinc/16/31/21/333163121.db2.gz NUBSXAYHMMFUDD-IBGZPJMESA-N 0 3 324.424 4.147 20 30 DIEDHN CCc1ccc([C@H](CC)NCc2ccc(OCC#N)cc2)cc1 ZINC000180552760 333163168 /nfs/dbraw/zinc/16/31/68/333163168.db2.gz KNIDMFHUBYYBKQ-FQEVSTJZSA-N 0 3 308.425 4.392 20 30 DIEDHN COc1ccc(-c2nc(C)c([C@H](C)NCCCC#N)s2)cc1 ZINC000184088310 333191860 /nfs/dbraw/zinc/19/18/60/333191860.db2.gz RXNUGCIEMDYXIT-LBPRGKRZSA-N 0 3 315.442 4.082 20 30 DIEDHN Cc1ccc(C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831228 333214846 /nfs/dbraw/zinc/21/48/46/333214846.db2.gz ZCAHMWYDNJNORT-ZVDOUQERSA-N 0 3 319.452 4.346 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852512 333214895 /nfs/dbraw/zinc/21/48/95/333214895.db2.gz SIEZRGWLGJIYRT-FTRWYGJKSA-N 0 3 305.425 4.482 20 30 DIEDHN CCN(CCOc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594088 333267547 /nfs/dbraw/zinc/26/75/47/333267547.db2.gz PNIGQHXGEVJVAH-MRXNPFEDSA-N 0 3 324.424 4.029 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193001510 333297260 /nfs/dbraw/zinc/29/72/60/333297260.db2.gz OVESALLMLMUCTI-CLROSIBMSA-N 0 3 306.837 4.088 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294552 333301254 /nfs/dbraw/zinc/30/12/54/333301254.db2.gz CMOFRARCYKZFNR-ZLGUVYLKSA-N 0 3 320.436 4.059 20 30 DIEDHN N#Cc1cccc(CN2CC[C@H](CSc3ccccc3)C2)c1 ZINC000525779395 333301394 /nfs/dbraw/zinc/30/13/94/333301394.db2.gz GHDBTKGHVAPQCL-SFHVURJKSA-N 0 3 308.450 4.172 20 30 DIEDHN CCO[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425276 333303023 /nfs/dbraw/zinc/30/30/23/333303023.db2.gz ZATZZAZVDZPZHQ-JXFKEZNVSA-N 0 3 324.424 4.017 20 30 DIEDHN CC(C)(CCC#N)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000193422768 333303148 /nfs/dbraw/zinc/30/31/48/333303148.db2.gz UPJOYPIKNBIHSG-UHFFFAOYSA-N 0 3 316.420 4.050 20 30 DIEDHN CCO[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425316 333303228 /nfs/dbraw/zinc/30/32/28/333303228.db2.gz ZATZZAZVDZPZHQ-OXQOHEQNSA-N 0 3 324.424 4.017 20 30 DIEDHN CC(C#N)C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000531276916 333339776 /nfs/dbraw/zinc/33/97/76/333339776.db2.gz CGBLMKLCAREQHI-UGSOOPFHSA-N 0 3 324.811 4.126 20 30 DIEDHN C=C(C)[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546124 335135829 /nfs/dbraw/zinc/13/58/29/335135829.db2.gz XYKXKQIJGOGGRX-RHSMWYFYSA-N 0 3 307.384 4.273 20 30 DIEDHN CC[C@@H](CC#N)NCCCCOc1cccc(C(F)(F)F)c1 ZINC000563366610 333597295 /nfs/dbraw/zinc/59/72/95/333597295.db2.gz RXBYPOUMBNXEOF-AWEZNQCLSA-N 0 3 314.351 4.146 20 30 DIEDHN CC[C@@H](N[C@@H](C)CCC#N)c1cc(F)cc(Br)c1 ZINC000411563297 333692199 /nfs/dbraw/zinc/69/21/99/333692199.db2.gz QRHZUNSOMDTJOW-IINYFYTJSA-N 0 3 313.214 4.321 20 30 DIEDHN N#CC1(CCN[C@@H](CCO)c2ccc(Cl)cc2)CCCCC1 ZINC000411734415 333704087 /nfs/dbraw/zinc/70/40/87/333704087.db2.gz BBINUASMDBSPGS-KRWDZBQOSA-N 0 3 320.864 4.217 20 30 DIEDHN N#CC1(CCN2CCC(F)(c3ccccn3)CC2)CCCCC1 ZINC000411772297 333705938 /nfs/dbraw/zinc/70/59/38/333705938.db2.gz VERKMTHHBQKTSV-UHFFFAOYSA-N 0 3 315.436 4.206 20 30 DIEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCC(C)(C)CC#N ZINC000414171508 333907728 /nfs/dbraw/zinc/90/77/28/333907728.db2.gz VACDZXSDQXUGMQ-LBPRGKRZSA-N 0 3 314.458 4.104 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(Br)c(F)c1 ZINC000414164499 333915957 /nfs/dbraw/zinc/91/59/57/333915957.db2.gz KFWPPARWXAPMRV-SNVBAGLBSA-N 0 3 313.214 4.179 20 30 DIEDHN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002430 333977930 /nfs/dbraw/zinc/97/79/30/333977930.db2.gz CZMXBXYNERHZGH-DJJJIMSYSA-N 0 3 310.372 4.066 20 30 DIEDHN C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1OC(F)F ZINC000582140572 334006243 /nfs/dbraw/zinc/00/62/43/334006243.db2.gz YCKMKKQVCSDDSU-NSHDSACASA-N 0 3 314.351 4.408 20 30 DIEDHN Cc1cc(CN2CCC(C)(C#N)CC2)cc(C)c1OC(F)F ZINC000272569467 334037464 /nfs/dbraw/zinc/03/74/64/334037464.db2.gz VNTMGKGLMDFAAW-UHFFFAOYSA-N 0 3 308.372 4.031 20 30 DIEDHN CN(CCCC(C)(C)C#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276433515 334078209 /nfs/dbraw/zinc/07/82/09/334078209.db2.gz KESPCPGEBUQQCV-HXUWFJFHSA-N 0 3 312.457 4.287 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555177 334098028 /nfs/dbraw/zinc/09/80/28/334098028.db2.gz HVLWNQTVTADDNX-DZGCQCFKSA-N 0 3 311.454 4.168 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000278718465 334100175 /nfs/dbraw/zinc/10/01/75/334100175.db2.gz UXPQIXRCYGIJOH-PBEJRMEISA-N 0 3 302.421 4.326 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000278718439 334100247 /nfs/dbraw/zinc/10/02/47/334100247.db2.gz UXPQIXRCYGIJOH-BSIFCXSSSA-N 0 3 302.421 4.326 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340103645 334127335 /nfs/dbraw/zinc/12/73/35/334127335.db2.gz JJAYHSPGNHAJPO-HXUWFJFHSA-N 0 3 321.424 4.005 20 30 DIEDHN N#CC1CCC(CNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000282464271 334134926 /nfs/dbraw/zinc/13/49/26/334134926.db2.gz UEWVJHUDXBOVQF-UHFFFAOYSA-N 0 3 314.326 4.264 20 30 DIEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217695 334156669 /nfs/dbraw/zinc/15/66/69/334156669.db2.gz FWQRGRMSWMDNJK-UXLLHSPISA-N 0 3 307.397 4.217 20 30 DIEDHN C=CCOc1ccccc1CN[C@H]1CCCc2cc(N)ccc21 ZINC000414910722 334173365 /nfs/dbraw/zinc/17/33/65/334173365.db2.gz GATLWZSXZPXDKR-IBGZPJMESA-N 0 3 308.425 4.001 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827690 334193020 /nfs/dbraw/zinc/19/30/20/334193020.db2.gz ONQVFEZDTCPABT-BBRMVZONSA-N 0 3 309.388 4.088 20 30 DIEDHN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC[C@H](C#N)CCC#N ZINC000293159939 334196274 /nfs/dbraw/zinc/19/62/74/334196274.db2.gz UUZQGVSQGHFHTM-FUHWJXTLSA-N 0 3 317.864 4.330 20 30 DIEDHN C[C@@H](c1cccs1)N(CCOCCC#N)Cc1ccccc1 ZINC000293293417 334196863 /nfs/dbraw/zinc/19/68/63/334196863.db2.gz ZCZBLQVEFPWGNN-INIZCTEOSA-N 0 3 314.454 4.242 20 30 DIEDHN Cc1ncc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449709 334205489 /nfs/dbraw/zinc/20/54/89/334205489.db2.gz WAAMBFIHWGCRIC-HNAYVOBHSA-N 0 3 308.429 4.179 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000295124173 334219086 /nfs/dbraw/zinc/21/90/86/334219086.db2.gz WZXVACKJDXHBHK-GWCFXTLKSA-N 0 3 314.763 4.113 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000298360792 334247995 /nfs/dbraw/zinc/24/79/95/334247995.db2.gz FZCHTENOUHBGIF-DLBZAZTESA-N 0 3 324.472 4.489 20 30 DIEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646157 334256989 /nfs/dbraw/zinc/25/69/89/334256989.db2.gz KRIJBRCGXZVCRM-HZPDHXFCSA-N 0 3 321.424 4.282 20 30 DIEDHN CCCCOc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OC ZINC000299731367 334257747 /nfs/dbraw/zinc/25/77/47/334257747.db2.gz XDEZDNWVJIWPFX-HUUCEWRRSA-N 0 3 304.434 4.217 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1OC ZINC000048714808 334297556 /nfs/dbraw/zinc/29/75/56/334297556.db2.gz XTTORLQAOISZGG-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303962000 334350524 /nfs/dbraw/zinc/35/05/24/334350524.db2.gz ZYWAUSYCEPUNDD-RBUKOAKNSA-N 0 3 312.457 4.118 20 30 DIEDHN CCC[C@@H](NCCOc1ccc(C#N)cc1)c1ccsc1 ZINC000443105452 338444835 /nfs/dbraw/zinc/44/48/35/338444835.db2.gz PNHASGPPVVGJAO-QGZVFWFLSA-N 0 3 300.427 4.130 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341761532 334478372 /nfs/dbraw/zinc/47/83/72/334478372.db2.gz PPHGBVNELFQZNW-LJQANCHMSA-N 0 3 308.450 4.447 20 30 DIEDHN C=CCC[C@@H](NCCn1cccn1)c1ccc(C(F)(F)F)cc1 ZINC000342188081 334515662 /nfs/dbraw/zinc/51/56/62/334515662.db2.gz BRROYVWSTHYSOJ-MRXNPFEDSA-N 0 3 323.362 4.199 20 30 DIEDHN C=CCC[C@@H](NCc1cncn1C)c1ccc(C(F)(F)F)cc1 ZINC000342188087 334515685 /nfs/dbraw/zinc/51/56/85/334515685.db2.gz BTMMSBHSTHMYTQ-MRXNPFEDSA-N 0 3 323.362 4.236 20 30 DIEDHN N#CCc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000342713564 334568013 /nfs/dbraw/zinc/56/80/13/334568013.db2.gz SWHKYPMGYQOQJU-UHFFFAOYSA-N 0 3 312.457 4.066 20 30 DIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000342812631 334579404 /nfs/dbraw/zinc/57/94/04/334579404.db2.gz BRGHCQKAJTXOGC-LJQANCHMSA-N 0 3 306.409 4.297 20 30 DIEDHN C=CCC[C@@H](NC(=O)Nc1ccccc1CNC)c1ccccc1 ZINC000415903694 334626593 /nfs/dbraw/zinc/62/65/93/334626593.db2.gz AOQAXZXHFMEZCF-GOSISDBHSA-N 0 3 323.440 4.235 20 30 DIEDHN C=CCC[C@H](NC(=O)Nc1ccccc1CNC)c1ccccc1 ZINC000415903699 334626756 /nfs/dbraw/zinc/62/67/56/334626756.db2.gz AOQAXZXHFMEZCF-SFHVURJKSA-N 0 3 323.440 4.235 20 30 DIEDHN Cc1c([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365721 334740676 /nfs/dbraw/zinc/74/06/76/334740676.db2.gz MHPNBPXWQNDXRI-XOBRGWDASA-N 0 3 322.456 4.372 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2c(O)cccc21 ZINC000417370760 334764732 /nfs/dbraw/zinc/76/47/32/334764732.db2.gz STNBHPINGBTKNL-WOJBJXKFSA-N 0 3 318.420 4.308 20 30 DIEDHN N#CCC[C@H](NCc1cc(-n2ccnc2)cs1)c1ccccc1 ZINC000344298533 335238210 /nfs/dbraw/zinc/23/82/10/335238210.db2.gz FHCNBNDFDROIHX-SFHVURJKSA-N 0 3 322.437 4.068 20 30 DIEDHN CCC1(CC)[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H]1OC ZINC000344328677 335240949 /nfs/dbraw/zinc/24/09/49/335240949.db2.gz LZXBNGCCOKFSJO-KSZLIROESA-N 0 3 300.446 4.215 20 30 DIEDHN C=CCC[C@H](NCc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000345019456 335291964 /nfs/dbraw/zinc/29/19/64/335291964.db2.gz MMDOKTSCWLDBCK-HNNXBMFYSA-N 0 3 309.335 4.226 20 30 DIEDHN C=CCC[C@H](NCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000345019456 335291965 /nfs/dbraw/zinc/29/19/65/335291965.db2.gz MMDOKTSCWLDBCK-HNNXBMFYSA-N 0 3 309.335 4.226 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1cc(-n2ccnc2)cs1 ZINC000346135153 335379920 /nfs/dbraw/zinc/37/99/20/335379920.db2.gz GWHMMELGZCSWEC-UHFFFAOYSA-N 0 3 315.467 4.184 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000314648454 335647793 /nfs/dbraw/zinc/64/77/93/335647793.db2.gz GCBYUFZCUNDEJN-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCCOc1ccc(F)cc1 ZINC000532492939 336250731 /nfs/dbraw/zinc/25/07/31/336250731.db2.gz ZOJJXUZUIMDEPJ-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN N#Cc1ccc(CNCCc2cccc(Cl)c2Cl)c(F)c1 ZINC000532587959 336256700 /nfs/dbraw/zinc/25/67/00/336256700.db2.gz AWFLBGWKPVZCTR-UHFFFAOYSA-N 0 3 323.198 4.336 20 30 DIEDHN CN(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000301225038 336295608 /nfs/dbraw/zinc/29/56/08/336295608.db2.gz CYSUYXSWMUULAB-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN C[C@@H](c1ccccc1)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301320879 336300555 /nfs/dbraw/zinc/30/05/55/336300555.db2.gz SKMSMQGYRCAEMC-HNNXBMFYSA-N 0 3 323.415 4.335 20 30 DIEDHN N#Cc1cc(F)ccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000301495238 336310300 /nfs/dbraw/zinc/31/03/00/336310300.db2.gz APTCGUJERINPPR-INIZCTEOSA-N 0 3 315.417 4.008 20 30 DIEDHN C=C(C)CN1CCC(Nc2cc(C)nc3c(F)cccc23)CC1 ZINC000301637223 336319816 /nfs/dbraw/zinc/31/98/16/336319816.db2.gz AGCIWWZTGNBACS-UHFFFAOYSA-N 0 3 313.420 4.135 20 30 DIEDHN COc1cc(CN[C@H]2CCC(C)(C)c3ccccc32)ccc1C#N ZINC000353617244 336429029 /nfs/dbraw/zinc/42/90/29/336429029.db2.gz CXCWGDNHBVOAGW-IBGZPJMESA-N 0 3 320.436 4.469 20 30 DIEDHN Cc1ccn2c(CN[C@@H](CCCC#N)c3ccccc3)cnc2c1 ZINC000353914859 336447820 /nfs/dbraw/zinc/44/78/20/336447820.db2.gz LSVKMMODOLXDMH-IBGZPJMESA-N 0 3 318.424 4.168 20 30 DIEDHN Cc1ccn2c(CN[C@H](CCCC#N)c3ccccc3)cnc2c1 ZINC000353914875 336447880 /nfs/dbraw/zinc/44/78/80/336447880.db2.gz LSVKMMODOLXDMH-LJQANCHMSA-N 0 3 318.424 4.168 20 30 DIEDHN N#CCCC[C@H](NCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000353916285 336448112 /nfs/dbraw/zinc/44/81/12/336448112.db2.gz PVEAZWRQICLIAU-SFHVURJKSA-N 0 3 304.397 4.088 20 30 DIEDHN CC[C@H](CC(F)(F)F)NCc1cccc(OCCCC#N)c1 ZINC000354650666 336477596 /nfs/dbraw/zinc/47/75/96/336477596.db2.gz LCZARNYJSKPNFT-CQSZACIVSA-N 0 3 314.351 4.190 20 30 DIEDHN C=C(C)COCCN[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358300401 336622646 /nfs/dbraw/zinc/62/26/46/336622646.db2.gz OWFKKPIALAYKOV-INIZCTEOSA-N 0 3 309.837 4.044 20 30 DIEDHN CC(C)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560741 336634568 /nfs/dbraw/zinc/63/45/68/336634568.db2.gz FUXFSZFYVYOMFF-KDOFPFPSSA-N 0 3 311.404 4.183 20 30 DIEDHN C[C@H](NCc1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367829534 336830345 /nfs/dbraw/zinc/83/03/45/336830345.db2.gz YOZXHACFECFMDL-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000368030988 336835982 /nfs/dbraw/zinc/83/59/82/336835982.db2.gz RESXMZWESJCCTP-INIZCTEOSA-N 0 3 315.420 4.013 20 30 DIEDHN C[C@H](NCc1cc[nH]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374692296 336995201 /nfs/dbraw/zinc/99/52/01/336995201.db2.gz GSQXMNNKNGPIES-HNNXBMFYSA-N 0 3 301.393 4.404 20 30 DIEDHN Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1cccc(C#N)c1 ZINC000193872106 337079693 /nfs/dbraw/zinc/07/96/93/337079693.db2.gz AGTXGEURYQJTHI-LBPRGKRZSA-N 0 3 313.470 4.472 20 30 DIEDHN C=CCC(C)(C)CN[C@@H](C)c1ncc(Br)s1 ZINC000393511861 337092793 /nfs/dbraw/zinc/09/27/93/337092793.db2.gz JSCFTFGVGYURPF-VIFPVBQESA-N 0 3 303.269 4.159 20 30 DIEDHN COc1ccc(OC)c([C@@H]2CCCN2CCCC(C)(C)C#N)c1 ZINC000174811507 337143530 /nfs/dbraw/zinc/14/35/30/337143530.db2.gz UEZLJRIAUXSAIF-KRWDZBQOSA-N 0 3 316.445 4.171 20 30 DIEDHN Cc1ccc(C)c(Oc2ccc(CN[C@H]3CC[C@H](C#N)C3)cn2)c1 ZINC000583242278 337285765 /nfs/dbraw/zinc/28/57/65/337285765.db2.gz YNQMCLJVNWECOW-WMZOPIPTSA-N 0 3 321.424 4.273 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000192923251 337307591 /nfs/dbraw/zinc/30/75/91/337307591.db2.gz CLUHTFQHBGZPMF-FTRWYGJKSA-N 0 3 305.425 4.482 20 30 DIEDHN Cc1cccc([C@@H](C)N(C)CCOCc2ccc(C#N)cc2)c1 ZINC000584433792 337325439 /nfs/dbraw/zinc/32/54/39/337325439.db2.gz QCKRZTNZQVJCLV-QGZVFWFLSA-N 0 3 308.425 4.076 20 30 DIEDHN COc1cc(CN[C@H](C)c2cc(C)c(C)cc2C)ccc1C#N ZINC000572023590 337587020 /nfs/dbraw/zinc/58/70/20/337587020.db2.gz KPNIVUMADISZCQ-MRXNPFEDSA-N 0 3 308.425 4.343 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000421871792 337657378 /nfs/dbraw/zinc/65/73/78/337657378.db2.gz GEXBPOHEXCZHBZ-KRWDZBQOSA-N 0 3 307.422 4.268 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338957 337712884 /nfs/dbraw/zinc/71/28/84/337712884.db2.gz BDJSWVLLBDBEKJ-BLVKFPJESA-N 0 3 309.388 4.008 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340642 337712945 /nfs/dbraw/zinc/71/29/45/337712945.db2.gz BZFSSYBNIGXAHQ-CWTRNNRKSA-N 0 3 309.388 4.008 20 30 DIEDHN CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OCCC)c1 ZINC000424203721 337808973 /nfs/dbraw/zinc/80/89/73/337808973.db2.gz USFNAISKJBIMAO-DOTOQJQBSA-N 0 3 316.445 4.046 20 30 DIEDHN COc1ccccc1-c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424204968 337809270 /nfs/dbraw/zinc/80/92/70/337809270.db2.gz VWKILROIQSCBJN-FUHWJXTLSA-N 0 3 306.409 4.144 20 30 DIEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1cc(C)ccc1C ZINC000424323449 337820579 /nfs/dbraw/zinc/82/05/79/337820579.db2.gz JDKVPVKCMDTOTO-BPQIPLTHSA-N 0 3 322.456 4.140 20 30 DIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537305614 337930097 /nfs/dbraw/zinc/93/00/97/337930097.db2.gz AWYLJURYSBEWLL-KGLIPLIRSA-N 0 3 318.852 4.316 20 30 DIEDHN C[C@H](NCCc1cc2ccccc2o1)c1ccc(C#N)c(F)c1 ZINC000537406785 337933613 /nfs/dbraw/zinc/93/36/13/337933613.db2.gz IQRPBSVQCCATRZ-ZDUSSCGKSA-N 0 3 308.356 4.337 20 30 DIEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000425963934 338019277 /nfs/dbraw/zinc/01/92/77/338019277.db2.gz NUPLEYFVMBGVOE-UHFFFAOYSA-N 0 3 309.335 4.103 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCCC12CCCC2 ZINC000428575612 338056666 /nfs/dbraw/zinc/05/66/66/338056666.db2.gz QAQZVVYPFGFXCN-MOPGFXCFSA-N 0 3 324.468 4.378 20 30 DIEDHN C=CCC(C)(C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000429822184 338090711 /nfs/dbraw/zinc/09/07/11/338090711.db2.gz GVLOJJUYWGUDNE-UHFFFAOYSA-N 0 3 300.446 4.213 20 30 DIEDHN CC(C)[C@@H]1N(Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000430084619 338095288 /nfs/dbraw/zinc/09/52/88/338095288.db2.gz KIGIMSODMXZSIH-IBGZPJMESA-N 0 3 312.457 4.380 20 30 DIEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccccc1 ZINC000430098596 338096366 /nfs/dbraw/zinc/09/63/66/338096366.db2.gz CWVZJHKYPRVPMM-MRXNPFEDSA-N 0 3 318.424 4.178 20 30 DIEDHN CC(C)n1cccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430617406 338109957 /nfs/dbraw/zinc/10/99/57/338109957.db2.gz MJUXMVUKAIHDOS-GFCCVEGCSA-N 0 3 315.442 4.313 20 30 DIEDHN CC(C)n1cccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430617407 338110061 /nfs/dbraw/zinc/11/00/61/338110061.db2.gz MJUXMVUKAIHDOS-LBPRGKRZSA-N 0 3 315.442 4.313 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(F)cc2)s1 ZINC000430635004 338110114 /nfs/dbraw/zinc/11/01/14/338110114.db2.gz UEWUULQYIHUIHD-LBPRGKRZSA-N 0 3 302.374 4.070 20 30 DIEDHN N#CCC1(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000430739026 338112859 /nfs/dbraw/zinc/11/28/59/338112859.db2.gz CKIDXSDUFCEWPK-SFHVURJKSA-N 0 3 310.441 4.063 20 30 DIEDHN CC(C)CCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430740768 338112924 /nfs/dbraw/zinc/11/29/24/338112924.db2.gz KVFHVBBIOUFHIP-INIZCTEOSA-N 0 3 300.446 4.456 20 30 DIEDHN C[C@@H]1C[C@@H](NCC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739295 338112970 /nfs/dbraw/zinc/11/29/70/338112970.db2.gz HOVXBOIAPHYMJV-BXUZGUMPSA-N 0 3 319.246 4.281 20 30 DIEDHN N#CCC1(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000430762004 338114146 /nfs/dbraw/zinc/11/41/46/338114146.db2.gz NNFRAOCFXBSVIZ-HNNXBMFYSA-N 0 3 323.465 4.471 20 30 DIEDHN CN(C)c1ccccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433017495 338176530 /nfs/dbraw/zinc/17/65/30/338176530.db2.gz AURGWSYQSZWAQF-IBGZPJMESA-N 0 3 307.441 4.277 20 30 DIEDHN CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433221337 338186417 /nfs/dbraw/zinc/18/64/17/338186417.db2.gz PHCRQKNCKHVXMF-PMACEKPBSA-N 0 3 320.436 4.272 20 30 DIEDHN CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433221340 338186426 /nfs/dbraw/zinc/18/64/26/338186426.db2.gz PHCRQKNCKHVXMF-UXHICEINSA-N 0 3 320.436 4.272 20 30 DIEDHN CCCC[C@H](CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222647 338186572 /nfs/dbraw/zinc/18/65/72/338186572.db2.gz ZVKNNSAYWQVKPF-WMZOPIPTSA-N 0 3 300.446 4.092 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000433231564 338187042 /nfs/dbraw/zinc/18/70/42/338187042.db2.gz KOEBXVVUUGPVIJ-UXHICEINSA-N 0 3 318.420 4.026 20 30 DIEDHN C=CCOc1ccccc1CNCc1ccc(NCCC)cc1 ZINC000434777941 338225394 /nfs/dbraw/zinc/22/53/94/338225394.db2.gz RFVRMVLXSVFGNJ-UHFFFAOYSA-N 0 3 310.441 4.363 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)c(Cl)c1Cl ZINC000435738794 338247253 /nfs/dbraw/zinc/24/72/53/338247253.db2.gz CJZXLRUAKKADLQ-IAQYHMDHSA-N 0 3 318.219 4.203 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(Cl)c1Cl ZINC000435745098 338247584 /nfs/dbraw/zinc/24/75/84/338247584.db2.gz JLQHFPWRQSJQEO-BXKDBHETSA-N 0 3 306.258 4.126 20 30 DIEDHN CC(C)N(C)c1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000437101270 338301023 /nfs/dbraw/zinc/30/10/23/338301023.db2.gz YUHKHCSCJXAQED-INIZCTEOSA-N 0 3 307.441 4.254 20 30 DIEDHN Cc1cc(F)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155919997 338319627 /nfs/dbraw/zinc/31/96/27/338319627.db2.gz INTYKIXKUVEXOL-CYBMUJFWSA-N 0 3 322.261 4.038 20 30 DIEDHN COc1ccc(C#N)cc1CNC1(c2cccc(C)c2)CCCC1 ZINC000440265738 338384894 /nfs/dbraw/zinc/38/48/94/338384894.db2.gz MSVPWHWQHZQXRD-UHFFFAOYSA-N 0 3 320.436 4.434 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440568227 338390511 /nfs/dbraw/zinc/39/05/11/338390511.db2.gz YLONJLJTGHLIMU-IIZJSDIPSA-N 0 3 324.468 4.289 20 30 DIEDHN COc1cc(CN[C@H](c2ccccc2)C(C)(C)C)ccc1C#N ZINC000440826621 338398299 /nfs/dbraw/zinc/39/82/99/338398299.db2.gz UXTUYDOJOXLOSR-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN CCN(CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000442635400 338426398 /nfs/dbraw/zinc/42/63/98/338426398.db2.gz PMVKYSGKQDRMHX-RLFYNMQTSA-N 0 3 319.880 4.005 20 30 DIEDHN COc1ccc(-c2csc(CN[C@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000442780134 338430738 /nfs/dbraw/zinc/43/07/38/338430738.db2.gz FTBMSMHTNSDFLW-CJNGLKHVSA-N 0 3 312.438 4.206 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000442781863 338430825 /nfs/dbraw/zinc/43/08/25/338430825.db2.gz KEGKICQFSKWUMG-SJLPKXTDSA-N 0 3 306.409 4.014 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000442781862 338430844 /nfs/dbraw/zinc/43/08/44/338430844.db2.gz KEGKICQFSKWUMG-FUHWJXTLSA-N 0 3 306.409 4.014 20 30 DIEDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000442784485 338431131 /nfs/dbraw/zinc/43/11/31/338431131.db2.gz PTEFOSQVLPXNLH-UKRRQHHQSA-N 0 3 312.438 4.206 20 30 DIEDHN COc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796262 338432151 /nfs/dbraw/zinc/43/21/51/338432151.db2.gz VSIITXGINKSLIG-NBHGPNQESA-N 0 3 320.436 4.375 20 30 DIEDHN C=CCOc1ccc(CNC[C@@H](OCC)c2ccccc2)cc1 ZINC000446852188 338538653 /nfs/dbraw/zinc/53/86/53/338538653.db2.gz MWVGTNCYXZMBBU-HXUWFJFHSA-N 0 3 311.425 4.119 20 30 DIEDHN N#CC1CCC(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449305313 338611199 /nfs/dbraw/zinc/61/11/99/338611199.db2.gz RSPZEIZFDSTIOJ-MGULZYLOSA-N 0 3 308.347 4.011 20 30 DIEDHN CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NCC2(C#N)CCC2)cc1 ZINC000450818668 338706756 /nfs/dbraw/zinc/70/67/56/338706756.db2.gz JAWUCDHSOGFCHT-OALUTQOASA-N 0 3 312.457 4.393 20 30 DIEDHN C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc2O1 ZINC000453273353 338817182 /nfs/dbraw/zinc/81/71/82/338817182.db2.gz ULXYZYUJECAWED-ZNZDAUKMSA-N 0 3 304.393 4.047 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCSc2ccc(Cl)cc21 ZINC000453350675 338829462 /nfs/dbraw/zinc/82/94/62/338829462.db2.gz LWFWEJLAFJJQMF-ZNMIVQPWSA-N 0 3 309.862 4.200 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000453380228 338835012 /nfs/dbraw/zinc/83/50/12/338835012.db2.gz ZPTFXTZKVHDCMI-XYPHTWIQSA-N 0 3 315.413 4.134 20 30 DIEDHN C=C(C)COc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000459349194 339023690 /nfs/dbraw/zinc/02/36/90/339023690.db2.gz IJDPGRHNSCGVLT-UHFFFAOYSA-N 0 3 323.440 4.117 20 30 DIEDHN C=C(C)CN(C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459454302 339030090 /nfs/dbraw/zinc/03/00/90/339030090.db2.gz FFTNMMUMBJHZSO-UHFFFAOYSA-N 0 3 310.445 4.068 20 30 DIEDHN N#CCCCNC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459481972 339031962 /nfs/dbraw/zinc/03/19/62/339031962.db2.gz NNYXPXBCZBYXJP-TWGQIWQCSA-N 0 3 306.409 4.172 20 30 DIEDHN C[C@@H](CCCc1cccnc1)NCC#Cc1cccc(Cl)c1 ZINC000459640324 339039686 /nfs/dbraw/zinc/03/96/86/339039686.db2.gz QBBGLQCTVIYRDN-INIZCTEOSA-N 0 3 312.844 4.088 20 30 DIEDHN N#Cc1csc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000459671989 339042149 /nfs/dbraw/zinc/04/21/49/339042149.db2.gz XEEOUSULSVYZEE-BXUZGUMPSA-N 0 3 306.793 4.058 20 30 DIEDHN CCN(CC)[C@@H](CNc1c(Cl)cccc1C#N)c1ccco1 ZINC000462376438 339077378 /nfs/dbraw/zinc/07/73/78/339077378.db2.gz JNVQFHTWWRFLPG-HNNXBMFYSA-N 0 3 317.820 4.300 20 30 DIEDHN C=CCOc1ccccc1CNC[C@@H](C)Oc1ccc(C)cc1 ZINC000462732907 339085268 /nfs/dbraw/zinc/08/52/68/339085268.db2.gz ATOATDZJDGIPPH-QGZVFWFLSA-N 0 3 311.425 4.117 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000462803221 339090011 /nfs/dbraw/zinc/09/00/11/339090011.db2.gz AJQKINDCFYQUSV-LJQANCHMSA-N 0 3 309.409 4.124 20 30 DIEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000463233942 339110719 /nfs/dbraw/zinc/11/07/19/339110719.db2.gz FXEWFBZXVUKPBF-JZXOWHBKSA-N 0 3 300.446 4.344 20 30 DIEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233380 339110759 /nfs/dbraw/zinc/11/07/59/339110759.db2.gz NHNJTPPUYVSHSP-WBVHZDCISA-N 0 3 300.446 4.344 20 30 DIEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233379 339110827 /nfs/dbraw/zinc/11/08/27/339110827.db2.gz NHNJTPPUYVSHSP-RDJZCZTQSA-N 0 3 300.446 4.344 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000463281113 339113072 /nfs/dbraw/zinc/11/30/72/339113072.db2.gz JZNRTELOPXLUBK-PMACEKPBSA-N 0 3 320.436 4.438 20 30 DIEDHN CCCN(CCc1cccs1)Cc1ccc(F)cc1C#N ZINC000464592058 339146612 /nfs/dbraw/zinc/14/66/12/339146612.db2.gz LUVUQFVMMBJNRD-UHFFFAOYSA-N 0 3 302.418 4.214 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCOc2ccccc2C#N)C1 ZINC000464741291 339150627 /nfs/dbraw/zinc/15/06/27/339150627.db2.gz SUQVFMLHFQKION-BEFAXECRSA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@@H]1C[C@H](c2ccccc2F)N(CCOc2cccc(C#N)c2)C1 ZINC000464743080 339150819 /nfs/dbraw/zinc/15/08/19/339150819.db2.gz YMRDGJCEJODDNX-FOIQADDNSA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000464852813 339157980 /nfs/dbraw/zinc/15/79/80/339157980.db2.gz MDWFEKRQYDOZDX-CRAIPNDOSA-N 0 3 310.397 4.003 20 30 DIEDHN C[C@H]1CCN(CCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000464852818 339158011 /nfs/dbraw/zinc/15/80/11/339158011.db2.gz MDWFEKRQYDOZDX-YJBOKZPZSA-N 0 3 310.397 4.003 20 30 DIEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000468266519 339258063 /nfs/dbraw/zinc/25/80/63/339258063.db2.gz OWTZZXGKDOHCHQ-CQSZACIVSA-N 0 3 312.388 4.289 20 30 DIEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(F)c(C#N)c1 ZINC000468270794 339258265 /nfs/dbraw/zinc/25/82/65/339258265.db2.gz QICCBSKYJAGZTH-SUMWQHHRSA-N 0 3 312.363 4.214 20 30 DIEDHN Cc1ccc(CN(Cc2ccc(F)c(C#N)c2)C(C)C)s1 ZINC000468272879 339258464 /nfs/dbraw/zinc/25/84/64/339258464.db2.gz PIPOAODBTLFDBB-UHFFFAOYSA-N 0 3 302.418 4.478 20 30 DIEDHN N#Cc1cc(CN(CCc2cccc(F)c2)C2CC2)ccc1F ZINC000468283004 339258832 /nfs/dbraw/zinc/25/88/32/339258832.db2.gz VYMZVDPPTAYCIR-UHFFFAOYSA-N 0 3 312.363 4.044 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(F)c(C#N)c1 ZINC000468290087 339258975 /nfs/dbraw/zinc/25/89/75/339258975.db2.gz MVYZFBOIHXCOPR-HXUWFJFHSA-N 0 3 324.399 4.215 20 30 DIEDHN C/C=C\COc1ccc(CC[C@H](C)N[C@H](CC)CC#N)cc1 ZINC000468475658 339263697 /nfs/dbraw/zinc/26/36/97/339263697.db2.gz OAXJTIDKYMUDNG-BYVBVCRGSA-N 0 3 300.446 4.244 20 30 DIEDHN N#Cc1ccc(C2=CCN(CCc3ccccc3F)CC2)cc1 ZINC000469985860 339307043 /nfs/dbraw/zinc/30/70/43/339307043.db2.gz QOXNHSQCTJDHLN-UHFFFAOYSA-N 0 3 306.384 4.029 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152807 339364461 /nfs/dbraw/zinc/36/44/61/339364461.db2.gz HDVVPJOVHLDETA-VQIMIIECSA-N 0 3 324.399 4.187 20 30 DIEDHN C=CCC[C@@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000472580555 339374074 /nfs/dbraw/zinc/37/40/74/339374074.db2.gz KYNGNNMMPYOTGP-RTWAWAEBSA-N 0 3 307.437 4.113 20 30 DIEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761494 339376991 /nfs/dbraw/zinc/37/69/91/339376991.db2.gz FMAOMFNOAVWMIF-DGCLKSJQSA-N 0 3 302.245 4.313 20 30 DIEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473520425 339386695 /nfs/dbraw/zinc/38/66/95/339386695.db2.gz PIDCHNXQINJMQU-DOMZBBRYSA-N 0 3 324.346 4.309 20 30 DIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000475705932 339459956 /nfs/dbraw/zinc/45/99/56/339459956.db2.gz VKEAGHMRCDVSSZ-ZDUSSCGKSA-N 0 3 324.355 4.173 20 30 DIEDHN C[C@H](CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000479596192 339542952 /nfs/dbraw/zinc/54/29/52/339542952.db2.gz XSSXRDZWQHUANJ-SSDOTTSWSA-N 0 3 303.221 4.133 20 30 DIEDHN N#Cc1ccc(CNC2(Cc3cccc(F)c3)CCC2)c(F)c1 ZINC000479878170 339552514 /nfs/dbraw/zinc/55/25/14/339552514.db2.gz ZSAWPDLVFLLKKP-UHFFFAOYSA-N 0 3 312.363 4.091 20 30 DIEDHN C=CCC[C@@H](CCC)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480686025 339583265 /nfs/dbraw/zinc/58/32/65/339583265.db2.gz YJORSFMHQYRVKZ-MOPGFXCFSA-N 0 3 315.436 4.373 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)cc1Br)C(C)(C)C ZINC000481215715 339598598 /nfs/dbraw/zinc/59/85/98/339598598.db2.gz ZJBXSTLSLQSXIA-AWEZNQCLSA-N 0 3 309.251 4.235 20 30 DIEDHN COc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1C ZINC000481645013 339608584 /nfs/dbraw/zinc/60/85/84/339608584.db2.gz MSNYKBSRIJJYEO-FQEVSTJZSA-N 0 3 320.436 4.433 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000481808350 339614353 /nfs/dbraw/zinc/61/43/53/339614353.db2.gz AFPVLWFGUBVPNP-GDBMZVCRSA-N 0 3 312.363 4.262 20 30 DIEDHN Cc1cc([C@H](C)NCc2ccc(C#N)c(F)c2)cc(C)c1F ZINC000484082068 339680394 /nfs/dbraw/zinc/68/03/94/339680394.db2.gz PBORAAVYTTWAGL-ZDUSSCGKSA-N 0 3 300.352 4.304 20 30 DIEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3F)CCCC2)o1 ZINC000485735125 339711694 /nfs/dbraw/zinc/71/16/94/339711694.db2.gz RPRIRRGQNQHAKD-UHFFFAOYSA-N 0 3 316.351 4.031 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000485835459 339714041 /nfs/dbraw/zinc/71/40/41/339714041.db2.gz QFFYLMVSUGSQLW-ZDUSSCGKSA-N 0 3 307.422 4.213 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1OC ZINC000488105575 339770449 /nfs/dbraw/zinc/77/04/49/339770449.db2.gz CZOIZJCNCUDZMF-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN CC(C)(C)CCOc1cnccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000490428091 339832305 /nfs/dbraw/zinc/83/23/05/339832305.db2.gz CMJIESLAYQPOKY-NVXWUHKLSA-N 0 3 315.461 4.069 20 30 DIEDHN N#CCC[C@@H](N[C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000494603699 339954882 /nfs/dbraw/zinc/95/48/82/339954882.db2.gz NIOXTQOQYMBUOW-RBUKOAKNSA-N 0 3 306.409 4.015 20 30 DIEDHN C=CCN1CCC(NC(=O)[C@H](CCC)CC2CCCCC2)CC1 ZINC000499829852 340045422 /nfs/dbraw/zinc/04/54/22/340045422.db2.gz CRUHAMZEELZKSM-GOSISDBHSA-N 0 3 320.521 4.140 20 30 DIEDHN CC[C@H]1C[C@]1(NCc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532829 340061569 /nfs/dbraw/zinc/06/15/69/340061569.db2.gz LIYBIWDKTZNIHE-GHTZIAJQSA-N 0 3 320.436 4.290 20 30 DIEDHN CC(C#N)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000501331257 340078671 /nfs/dbraw/zinc/07/86/71/340078671.db2.gz KACWYAQUQXIXBV-OAHLLOKOSA-N 0 3 312.457 4.072 20 30 DIEDHN COc1cccc([C@@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502506936 340106324 /nfs/dbraw/zinc/10/63/24/340106324.db2.gz LVDNGQATYMBFDR-MRXNPFEDSA-N 0 3 318.420 4.417 20 30 DIEDHN N#Cc1ccc(C2=CCN([C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000502553696 340107632 /nfs/dbraw/zinc/10/76/32/340107632.db2.gz NBBNLDZBTGZOFI-NRFANRHFSA-N 0 3 318.395 4.474 20 30 DIEDHN C=CCCc1ccccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000504276497 340144165 /nfs/dbraw/zinc/14/41/65/340144165.db2.gz FHGXATWKWJJHSV-UHFFFAOYSA-N 0 3 308.425 4.119 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](COc2ccccc2)C1 ZINC000505867378 340180073 /nfs/dbraw/zinc/18/00/73/340180073.db2.gz BQXMETKNDGIOTO-FUHWJXTLSA-N 0 3 306.409 4.020 20 30 DIEDHN C=CCN(CC=C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000505908416 340181339 /nfs/dbraw/zinc/18/13/39/340181339.db2.gz WQOHJEVPEBIYRY-UHFFFAOYSA-N 0 3 314.454 4.205 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000506005447 340183054 /nfs/dbraw/zinc/18/30/54/340183054.db2.gz WQUVGGMJUGGKRH-UHFFFAOYSA-N 0 3 309.438 4.122 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000506609147 340197458 /nfs/dbraw/zinc/19/74/58/340197458.db2.gz BKRYYPQNASHLSK-AWEZNQCLSA-N 0 3 312.369 4.010 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cc(C#N)cs1 ZINC000507140564 340209360 /nfs/dbraw/zinc/20/93/60/340209360.db2.gz FPVBNCSGKGADLK-SFHVURJKSA-N 0 3 312.438 4.138 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(C#N)s1 ZINC000507143620 340209485 /nfs/dbraw/zinc/20/94/85/340209485.db2.gz NPHLQUPRHFUXIT-SFHVURJKSA-N 0 3 312.438 4.138 20 30 DIEDHN COCc1ccccc1/C=C(/C)CN(C)Cc1cccc(C#N)c1 ZINC000507192222 340212397 /nfs/dbraw/zinc/21/23/97/340212397.db2.gz RNALYLNGIXKPDZ-BOPFTXTBSA-N 0 3 320.436 4.240 20 30 DIEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)c2ccccc12 ZINC000507252325 340215746 /nfs/dbraw/zinc/21/57/46/340215746.db2.gz MOIQQPSAAQQPGS-UHFFFAOYSA-N 0 3 316.404 4.352 20 30 DIEDHN Cc1ccccc1C(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000508064348 340238651 /nfs/dbraw/zinc/23/86/51/340238651.db2.gz RVUGWJBNJZABCA-SFHVURJKSA-N 0 3 320.436 4.119 20 30 DIEDHN N#Cc1ccc(OC2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000509055083 340259898 /nfs/dbraw/zinc/25/98/98/340259898.db2.gz KYJJXNPBJNYCPF-QPJJXVBHSA-N 0 3 318.420 4.115 20 30 DIEDHN CC(C)c1ccc([C@@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510384257 340297458 /nfs/dbraw/zinc/29/74/58/340297458.db2.gz JYDVLRBGRGNIEF-CXAGYDPISA-N 0 3 312.438 4.237 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(OCCC(C)C)CC1 ZINC000510489776 340300964 /nfs/dbraw/zinc/30/09/64/340300964.db2.gz OMJZWUKXXKCZKL-UHFFFAOYSA-N 0 3 317.473 4.279 20 30 DIEDHN N#Cc1cccc(OC2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000510554534 340302574 /nfs/dbraw/zinc/30/25/74/340302574.db2.gz RABYDVGRBYRDQM-UITAMQMPSA-N 0 3 318.420 4.115 20 30 DIEDHN C=C(C)CNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000512411294 340360877 /nfs/dbraw/zinc/36/08/77/340360877.db2.gz XIHUFGOJJAFJKD-UHFFFAOYSA-N 0 3 315.388 4.079 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)c1F ZINC000512434197 340361621 /nfs/dbraw/zinc/36/16/21/340361621.db2.gz VDPBGIRJQWOAMB-CXAGYDPISA-N 0 3 312.363 4.214 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3nc(C)ccc3c2)cc1 ZINC000512537657 340366104 /nfs/dbraw/zinc/36/61/04/340366104.db2.gz WHYPGNQNITWESY-UHFFFAOYSA-N 0 3 318.420 4.398 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000512569499 340367244 /nfs/dbraw/zinc/36/72/44/340367244.db2.gz OYWCNHQHRWEFOY-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN CCO[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611805 340368914 /nfs/dbraw/zinc/36/89/14/340368914.db2.gz MNRDWWPPRMROSO-LIRRHRJNSA-N 0 3 318.436 4.333 20 30 DIEDHN CCC(CC)[C@H](CCN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000512614228 340369047 /nfs/dbraw/zinc/36/90/47/340369047.db2.gz VHEPZDRJJSKOGG-ACJLOTCBSA-N 0 3 306.425 4.189 20 30 DIEDHN COc1ccccc1C1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512626557 340369722 /nfs/dbraw/zinc/36/97/22/340369722.db2.gz VIETXFVKWQLRLC-CQSZACIVSA-N 0 3 324.399 4.088 20 30 DIEDHN C[C@H](NCC(C)(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512625728 340369750 /nfs/dbraw/zinc/36/97/50/340369750.db2.gz QBXOHPZONWDCDD-ZDUSSCGKSA-N 0 3 314.379 4.465 20 30 DIEDHN CCS[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512629382 340369785 /nfs/dbraw/zinc/36/97/85/340369785.db2.gz ITTZWXXOKRITAU-AEGPPILISA-N 0 3 306.450 4.412 20 30 DIEDHN C[C@H](CCc1ccc(O)cc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000512633601 340370223 /nfs/dbraw/zinc/37/02/23/340370223.db2.gz AAWAUZDHRAFAQV-ZIAGYGMSSA-N 0 3 312.388 4.075 20 30 DIEDHN C[C@@H](NCCc1cc2ccccc2o1)c1ccc(C#N)cc1F ZINC000512641165 340370513 /nfs/dbraw/zinc/37/05/13/340370513.db2.gz DSVNRTWUADZTJG-CYBMUJFWSA-N 0 3 308.356 4.337 20 30 DIEDHN C[C@@H](NCCCOC1CCCCC1)c1ccc(C#N)cc1F ZINC000512649114 340370900 /nfs/dbraw/zinc/37/09/00/340370900.db2.gz QNDLDLAUYZPCOD-CQSZACIVSA-N 0 3 304.409 4.087 20 30 DIEDHN Cc1cccc(C)c1OCCN[C@H](C)c1ccc(C#N)cc1F ZINC000512649710 340370972 /nfs/dbraw/zinc/37/09/72/340370972.db2.gz UAOVXLVAQHCXFU-OAHLLOKOSA-N 0 3 312.388 4.044 20 30 DIEDHN Cc1cccc(O[C@@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654792 340371310 /nfs/dbraw/zinc/37/13/10/340371310.db2.gz OVNMWBUWRZIKSD-GJZGRUSLSA-N 0 3 312.388 4.124 20 30 DIEDHN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000512655778 340371404 /nfs/dbraw/zinc/37/14/04/340371404.db2.gz WLXBGEZSMDNEFF-AFAVFJNCSA-N 0 3 306.450 4.412 20 30 DIEDHN Cc1ccccc1O[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512660141 340371572 /nfs/dbraw/zinc/37/15/72/340371572.db2.gz LIBBIIQSOLAIBW-GJZGRUSLSA-N 0 3 312.388 4.124 20 30 DIEDHN Cc1ccc(OCCCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512660686 340371667 /nfs/dbraw/zinc/37/16/67/340371667.db2.gz OMERUDIULSFDRN-HNNXBMFYSA-N 0 3 312.388 4.126 20 30 DIEDHN C[C@H](NCCC1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512661751 340371717 /nfs/dbraw/zinc/37/17/17/340371717.db2.gz UBBWGEIKTVMROT-AWEZNQCLSA-N 0 3 308.400 4.153 20 30 DIEDHN C[C@H](NCCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512668573 340372228 /nfs/dbraw/zinc/37/22/28/340372228.db2.gz VUCCQQSFOZCVRI-AWEZNQCLSA-N 0 3 321.399 4.462 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(OC(C)C)c2)cc1 ZINC000513104579 340393516 /nfs/dbraw/zinc/39/35/16/340393516.db2.gz KTJOPKDEGXUAEU-UHFFFAOYSA-N 0 3 311.425 4.328 20 30 DIEDHN C=C(C)CN1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000517306101 340467687 /nfs/dbraw/zinc/46/76/87/340467687.db2.gz DSOXXJMTTDJBHU-UHFFFAOYSA-N 0 3 315.848 4.341 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000185171441 340498597 /nfs/dbraw/zinc/49/85/97/340498597.db2.gz MVSRCSPJAFZHFU-UHFFFAOYSA-N 0 3 303.352 4.479 20 30 DIEDHN Cc1c2ccccc2oc1[C@@H](NCc1cc(C#N)n(C)c1)C(C)C ZINC000191013617 340549210 /nfs/dbraw/zinc/54/92/10/340549210.db2.gz CAGRIIWWHXTNQQ-IBGZPJMESA-N 0 3 321.424 4.438 20 30 DIEDHN CCC(CC)(NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191084270 340549694 /nfs/dbraw/zinc/54/96/94/340549694.db2.gz FWAZZLICUQXEDC-UHFFFAOYSA-N 0 3 315.848 4.355 20 30 DIEDHN C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562966 340555781 /nfs/dbraw/zinc/55/57/81/340555781.db2.gz HPRXISNMFSBOSZ-UKRRQHHQSA-N 0 3 315.417 4.141 20 30 DIEDHN C[C@@H]1C[C@@H](C)N1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000525996955 340708029 /nfs/dbraw/zinc/70/80/29/340708029.db2.gz ZOVIWKNVIOZUMA-HZPDHXFCSA-N 0 3 306.409 4.120 20 30 DIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000537986038 340805608 /nfs/dbraw/zinc/80/56/08/340805608.db2.gz FSARRQWDYWFHNG-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000538409615 340821903 /nfs/dbraw/zinc/82/19/03/340821903.db2.gz RWKBUNTUVABPJC-NJSLBKSFSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cccc(F)c1 ZINC000539073193 340870610 /nfs/dbraw/zinc/87/06/10/340870610.db2.gz JKLISOMLHBRBPS-CQSZACIVSA-N 0 3 314.429 4.281 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1C)C(C)C ZINC000539262421 340879029 /nfs/dbraw/zinc/87/90/29/340879029.db2.gz HUELDZIOOGDCSG-HXUWFJFHSA-N 0 3 308.425 4.362 20 30 DIEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000540609660 340938786 /nfs/dbraw/zinc/93/87/86/340938786.db2.gz WIFWBPQPCBRNSA-KSMMKXTCSA-N 0 3 312.388 4.124 20 30 DIEDHN N#CCc1ccc(CN2CCC(c3ccccc3F)CC2)cc1 ZINC000541350257 340968321 /nfs/dbraw/zinc/96/83/21/340968321.db2.gz XITRVPHIOCFQBY-UHFFFAOYSA-N 0 3 308.400 4.271 20 30 DIEDHN COc1cccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)c1 ZINC000542210163 341000280 /nfs/dbraw/zinc/00/02/80/341000280.db2.gz PRGXBJMWHZJCSE-HXUWFJFHSA-N 0 3 306.409 4.098 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000542257230 341002196 /nfs/dbraw/zinc/00/21/96/341002196.db2.gz KSEIVOPUWUPUHJ-MRXNPFEDSA-N 0 3 308.425 4.391 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000542699390 341017877 /nfs/dbraw/zinc/01/78/77/341017877.db2.gz GZTPJJAKALKMIU-UHFFFAOYSA-N 0 3 323.396 4.187 20 30 DIEDHN Cc1cccc(NC2CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000543140050 341033781 /nfs/dbraw/zinc/03/37/81/341033781.db2.gz YYGUVVFHDYEHLL-UHFFFAOYSA-N 0 3 319.452 4.138 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000543185233 341035813 /nfs/dbraw/zinc/03/58/13/341035813.db2.gz WIWRRBQKCPMVBL-FQEVSTJZSA-N 0 3 308.425 4.248 20 30 DIEDHN CC(C)Oc1cccc([C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000543187713 341036039 /nfs/dbraw/zinc/03/60/39/341036039.db2.gz HMCLNPRSGSWSGX-MRXNPFEDSA-N 0 3 308.425 4.391 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000543209676 341036928 /nfs/dbraw/zinc/03/69/28/341036928.db2.gz YWSOATAWPSWLTE-QRWLVFNGSA-N 0 3 308.400 4.475 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000543487127 341047107 /nfs/dbraw/zinc/04/71/07/341047107.db2.gz KYZLDUOSUWCZSP-JKSUJKDBSA-N 0 3 320.502 4.014 20 30 DIEDHN C[C@@H](NCCOCC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874140 341062178 /nfs/dbraw/zinc/06/21/78/341062178.db2.gz YPIREJNKGNFZJG-MRXNPFEDSA-N 0 3 320.436 4.302 20 30 DIEDHN CC[C@H](CSc1ccccc1)NCc1cc(C#N)cs1 ZINC000131724145 341110068 /nfs/dbraw/zinc/11/00/68/341110068.db2.gz VCRMOMOYWCEHOX-CQSZACIVSA-N 0 3 302.468 4.280 20 30 DIEDHN CC(C)(C)c1ccc(OCCNCc2cc(C#N)cs2)cc1 ZINC000236596157 341188317 /nfs/dbraw/zinc/18/83/17/341188317.db2.gz QDEWMMJMVMVTAW-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN C=CC[C@H](C)NCc1cc(Br)ccc1OCCC ZINC000134748477 341223090 /nfs/dbraw/zinc/22/30/90/341223090.db2.gz GDMMQYADPMMWOC-LBPRGKRZSA-N 0 3 312.251 4.292 20 30 DIEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 ZINC000135674989 341243750 /nfs/dbraw/zinc/24/37/50/341243750.db2.gz OKBDLAGWORBBNB-JTQLQIEISA-N 0 3 310.344 4.489 20 30 DIEDHN CCC[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488192 341263648 /nfs/dbraw/zinc/26/36/48/341263648.db2.gz YNRWPVCWHQATGA-RDJZCZTQSA-N 0 3 324.428 4.057 20 30 DIEDHN COc1ccccc1[C@H](CC(C)C)NCc1cccc(C#N)c1 ZINC000080206369 341270781 /nfs/dbraw/zinc/27/07/81/341270781.db2.gz QDJRRTHWLYYXNC-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN COc1ccc([C@H](CCC#N)NCC(C)(C)C(F)(F)F)cc1 ZINC000549039214 341284323 /nfs/dbraw/zinc/28/43/23/341284323.db2.gz GSUIVPCBWXSPIV-AWEZNQCLSA-N 0 3 314.351 4.218 20 30 DIEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000549136922 341286771 /nfs/dbraw/zinc/28/67/71/341286771.db2.gz VCEGISNSTQOKNW-HXUWFJFHSA-N 0 3 322.452 4.139 20 30 DIEDHN N#Cc1ccccc1CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549172750 341287910 /nfs/dbraw/zinc/28/79/10/341287910.db2.gz SZOGRTSNOMNTRC-WKCHPHFGSA-N 0 3 302.421 4.469 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000549673727 341300327 /nfs/dbraw/zinc/30/03/27/341300327.db2.gz XDILKEVPNVFVRF-CZUORRHYSA-N 0 3 306.812 4.293 20 30 DIEDHN C=C[C@H](CC(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000550809193 341323468 /nfs/dbraw/zinc/32/34/68/341323468.db2.gz GKIHKLMIHMWYJF-QGZVFWFLSA-N 0 3 308.425 4.047 20 30 DIEDHN C=CCC(C)(C)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000550855686 341324528 /nfs/dbraw/zinc/32/45/28/341324528.db2.gz CKOPYCTUUIAXNH-LBPRGKRZSA-N 0 3 305.853 4.480 20 30 DIEDHN COc1cc(CN[C@H](C)c2cccc(C3CC3)c2)ccc1C#N ZINC000551197556 341333859 /nfs/dbraw/zinc/33/38/59/341333859.db2.gz FXRIJHXJNDMPQS-CQSZACIVSA-N 0 3 306.409 4.295 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551238393 341334804 /nfs/dbraw/zinc/33/48/04/341334804.db2.gz BZULSMFJCUJVDE-BXUZGUMPSA-N 0 3 317.845 4.245 20 30 DIEDHN CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000551660247 341348273 /nfs/dbraw/zinc/34/82/73/341348273.db2.gz ULLBAMRAQFWPCW-INIZCTEOSA-N 0 3 306.381 4.385 20 30 DIEDHN N#C[C@@H]1CC[C@H](NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087016 341368480 /nfs/dbraw/zinc/36/84/80/341368480.db2.gz YHKIQHGSXANDBF-FHLIZLRMSA-N 0 3 318.848 4.090 20 30 DIEDHN N#C[C@@H]1CC[C@H](NC[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087017 341368502 /nfs/dbraw/zinc/36/85/02/341368502.db2.gz YHKIQHGSXANDBF-JLSDUUJJSA-N 0 3 318.848 4.090 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087019 341368624 /nfs/dbraw/zinc/36/86/24/341368624.db2.gz YHKIQHGSXANDBF-ZTFGCOKTSA-N 0 3 318.848 4.090 20 30 DIEDHN N#CCCC[C@H](NCc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000552312185 341385694 /nfs/dbraw/zinc/38/56/94/341385694.db2.gz VWPDBQFLVAPKNI-KRWDZBQOSA-N 0 3 304.397 4.088 20 30 DIEDHN N#CCCC[C@H](NCc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000552312185 341385695 /nfs/dbraw/zinc/38/56/95/341385695.db2.gz VWPDBQFLVAPKNI-KRWDZBQOSA-N 0 3 304.397 4.088 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1 ZINC000552324742 341386557 /nfs/dbraw/zinc/38/65/57/341386557.db2.gz HWNPHEJSUJDOML-MRXNPFEDSA-N 0 3 310.441 4.168 20 30 DIEDHN Cc1ccc(C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000248944673 341390414 /nfs/dbraw/zinc/39/04/14/341390414.db2.gz ZCAHMWYDNJNORT-DYXWJJEUSA-N 0 3 319.452 4.346 20 30 DIEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000249580106 341399487 /nfs/dbraw/zinc/39/94/87/341399487.db2.gz NATCBFHYKFBTPV-UUWFMWQGSA-N 0 3 313.832 4.037 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccnc2ccccc12 ZINC000552956856 341410532 /nfs/dbraw/zinc/41/05/32/341410532.db2.gz UZMLYCJDBHPPJJ-NRFANRHFSA-N 0 3 313.404 4.274 20 30 DIEDHN COc1cc(CN2CCC(CCC#N)CC2)cc2ccccc21 ZINC000564991096 341514550 /nfs/dbraw/zinc/51/45/50/341514550.db2.gz YUWQYMIPWAGESH-UHFFFAOYSA-N 0 3 308.425 4.364 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745949 341536814 /nfs/dbraw/zinc/53/68/14/341536814.db2.gz PXGCSGSUBNNGDS-FZKQIMNGSA-N 0 3 321.380 4.113 20 30 DIEDHN N#CCC[C@@H](C#N)CNC[C@H](Cc1ccccc1)c1ccccc1 ZINC000567169742 341584009 /nfs/dbraw/zinc/58/40/09/341584009.db2.gz IVRTXZGRXUWVED-FPOVZHCZSA-N 0 3 317.436 4.046 20 30 DIEDHN Cc1cccnc1[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458979 341607925 /nfs/dbraw/zinc/60/79/25/341607925.db2.gz DLXSLGXDZYNYAD-MOPGFXCFSA-N 0 3 305.425 4.236 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000567661434 341625259 /nfs/dbraw/zinc/62/52/59/341625259.db2.gz QGGRJVFLIUQTPK-SWLSCSKDSA-N 0 3 300.789 4.382 20 30 DIEDHN CSc1cc(C)ccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000568804404 341682069 /nfs/dbraw/zinc/68/20/69/341682069.db2.gz WDXMGSVRYYKMPA-GOSISDBHSA-N 0 3 308.450 4.366 20 30 DIEDHN CC(C)C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000299248889 341724638 /nfs/dbraw/zinc/72/46/38/341724638.db2.gz AJNVHHJBBFXHGQ-HXUWFJFHSA-N 0 3 308.425 4.466 20 30 DIEDHN N#Cc1csc(CNCC2(Sc3ccccc3)CC2)c1 ZINC000177698717 341924320 /nfs/dbraw/zinc/92/43/20/341924320.db2.gz RUKAFXGAXJMVCB-UHFFFAOYSA-N 0 3 300.452 4.034 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000265475204 526037221 /nfs/dbraw/zinc/03/72/21/526037221.db2.gz JZAWKDPGLDJZNS-KKSFZXQISA-N 0 3 320.436 4.065 20 30 DIEDHN CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471123 535911633 /nfs/dbraw/zinc/91/16/33/535911633.db2.gz FUSQQDBBXAFGRV-KBPBESRZSA-N 0 3 320.845 4.047 20 30 DIEDHN Cc1cccc(CN2CCC(c3cccc(C#N)c3)CC2)c1F ZINC001137677205 1035770005 /nfs/dbraw/zinc/77/00/05/1035770005.db2.gz FTFZHJDVUFLXKL-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354506 1035770539 /nfs/dbraw/zinc/77/05/39/1035770539.db2.gz YJCXXLLLTIOUIX-BDAKNGLRSA-N 0 3 307.287 4.115 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccc(C#N)cc1 ZINC000154340945 1035876369 /nfs/dbraw/zinc/87/63/69/1035876369.db2.gz FFRGMVKUURTPMI-KGLIPLIRSA-N 0 3 311.404 4.175 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2ncccc12 ZINC001167251782 1036322289 /nfs/dbraw/zinc/32/22/89/1036322289.db2.gz JLZHBBXRDCASOP-UHFFFAOYSA-N 0 3 313.404 4.295 20 30 DIEDHN C=CCSCCN[C@H](C)c1sccc1Br ZINC000129376284 1036399359 /nfs/dbraw/zinc/39/93/59/1036399359.db2.gz AHJRGYDSBFQHQG-SECBINFHSA-N 0 3 306.294 4.080 20 30 DIEDHN CN(C)[C@H](CNc1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000610322520 1036776215 /nfs/dbraw/zinc/77/62/15/1036776215.db2.gz BBWWPSDXZAEORN-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 ZINC000610344766 1036838446 /nfs/dbraw/zinc/83/84/46/1036838446.db2.gz HMUUDTAKCRVSIN-MRXNPFEDSA-N 0 3 319.408 4.092 20 30 DIEDHN CC(C)Oc1ccccc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000580790772 1037299579 /nfs/dbraw/zinc/29/95/79/1037299579.db2.gz OZHWKNSRXNZJLG-MRXNPFEDSA-N 0 3 324.424 4.075 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1 ZINC000177861181 1037374497 /nfs/dbraw/zinc/37/44/97/1037374497.db2.gz XYHVHZSTNILDJW-LBPRGKRZSA-N 0 3 305.830 4.264 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(Cl)s2)cc1 ZINC000177861195 1037375225 /nfs/dbraw/zinc/37/52/25/1037375225.db2.gz XYHVHZSTNILDJW-GFCCVEGCSA-N 0 3 305.830 4.264 20 30 DIEDHN CCCN(Cc1cccc(C#N)c1F)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167443260 1037413571 /nfs/dbraw/zinc/41/35/71/1037413571.db2.gz QYNHGZAOJJXBMP-DLBZAZTESA-N 0 3 318.436 4.113 20 30 DIEDHN CCCCCCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC001167453536 1037522378 /nfs/dbraw/zinc/52/23/78/1037522378.db2.gz KPJAKPVPXHKCSJ-UHFFFAOYSA-N 0 3 308.535 4.399 20 30 DIEDHN N#CCCCOc1cccc(CN2CCC=C(c3ccco3)C2)c1 ZINC000348671791 1037739274 /nfs/dbraw/zinc/73/92/74/1037739274.db2.gz LNMCXRHPHJZGQC-UHFFFAOYSA-N 0 3 322.408 4.251 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000625700027 1037861812 /nfs/dbraw/zinc/86/18/12/1037861812.db2.gz HAAPYWRDDLQFPI-LLVKDONJSA-N 0 3 310.319 4.245 20 30 DIEDHN Cc1nc(C(C#N)C(=O)Nc2cccc3ccccc32)sc1C ZINC000155652376 1037962874 /nfs/dbraw/zinc/96/28/74/1037962874.db2.gz TYPURWBYHKIGIN-HNNXBMFYSA-N 0 3 321.405 4.159 20 30 DIEDHN C[C@H](CCC#N)CN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000602448369 1038010476 /nfs/dbraw/zinc/01/04/76/1038010476.db2.gz GAZXEWCNLKHRBY-QAPCUYQASA-N 0 3 310.445 4.040 20 30 DIEDHN CC[C@@H](NC[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602560990 1038036088 /nfs/dbraw/zinc/03/60/88/1038036088.db2.gz PFOOSHJNDJWCRV-NXEZZACHSA-N 0 3 305.369 4.142 20 30 DIEDHN CC[C@@H](NC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602561481 1038037648 /nfs/dbraw/zinc/03/76/48/1038037648.db2.gz QZBPSUGWSVTPSR-VQXHTEKXSA-N 0 3 317.380 4.285 20 30 DIEDHN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCCC(C)(C)C#N ZINC000581862663 1038039037 /nfs/dbraw/zinc/03/90/37/1038039037.db2.gz RMRHFBLFCZVFSK-OAHLLOKOSA-N 0 3 319.880 4.180 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177265 1038039902 /nfs/dbraw/zinc/03/99/02/1038039902.db2.gz MRASMZHKPSNVKF-UONOGXRCSA-N 0 3 309.369 4.187 20 30 DIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000178177990 1038040020 /nfs/dbraw/zinc/04/00/20/1038040020.db2.gz RBBHCXODKZXNQY-HOTGVXAUSA-N 0 3 316.408 4.156 20 30 DIEDHN CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cccc(C#N)n1 ZINC000602618406 1038049259 /nfs/dbraw/zinc/04/92/59/1038049259.db2.gz RVQSRYVZICHBCS-ICSRJNTNSA-N 0 3 305.425 4.003 20 30 DIEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cccc(C#N)n1 ZINC000602618405 1038051715 /nfs/dbraw/zinc/05/17/15/1038051715.db2.gz RVQSRYVZICHBCS-AZUAARDMSA-N 0 3 305.425 4.003 20 30 DIEDHN COc1cccc(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000602693052 1038066849 /nfs/dbraw/zinc/06/68/49/1038066849.db2.gz AGEQILBRJCYBDN-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN CSc1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602912150 1038112457 /nfs/dbraw/zinc/11/24/57/1038112457.db2.gz LDPLUUNSEDWCLG-UHFFFAOYSA-N 0 3 323.465 4.055 20 30 DIEDHN C[C@@H](c1ccccc1Cl)N(C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590620 1038129271 /nfs/dbraw/zinc/12/92/71/1038129271.db2.gz RTABSRRSMIPEDR-ZFWWWQNUSA-N 0 3 320.864 4.166 20 30 DIEDHN CCOc1cncc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000598644351 1038146482 /nfs/dbraw/zinc/14/64/82/1038146482.db2.gz JIBFAAPJNOOEHD-LJQANCHMSA-N 0 3 309.413 4.005 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3ncccc3c2)n1 ZINC000131176597 1038206565 /nfs/dbraw/zinc/20/65/65/1038206565.db2.gz GTJIWODVCSCFNG-AWEZNQCLSA-N 0 3 321.405 4.305 20 30 DIEDHN N#CC1(c2ccc(CN[C@H](c3ccccn3)C3CCC3)cc2)CC1 ZINC000598993821 1038213073 /nfs/dbraw/zinc/21/30/73/1038213073.db2.gz QHUAQECGYORTJS-FQEVSTJZSA-N 0 3 317.436 4.268 20 30 DIEDHN CC(C)n1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706809 1038238417 /nfs/dbraw/zinc/23/84/17/1038238417.db2.gz IEWLIKWLVDTSEG-AUUYWEPGSA-N 0 3 308.429 4.064 20 30 DIEDHN COc1ccccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341757050 1038261353 /nfs/dbraw/zinc/26/13/53/1038261353.db2.gz HICKSPHFECZVJN-KUHUBIRLSA-N 0 3 306.409 4.295 20 30 DIEDHN Cc1ccc(CN[C@H](C)c2cccc(N3CCCC3)c2)cc1C#N ZINC000599354549 1038272882 /nfs/dbraw/zinc/27/28/82/1038272882.db2.gz QCMPDAWRPRPPIA-QGZVFWFLSA-N 0 3 319.452 4.318 20 30 DIEDHN C=CC[C@@H](CO)CN[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877109 1038305692 /nfs/dbraw/zinc/30/56/92/1038305692.db2.gz LFOFWYICVJMAPY-KOLCDFICSA-N 0 3 320.285 4.207 20 30 DIEDHN CC(C)(C#N)CCCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599624245 1038321032 /nfs/dbraw/zinc/32/10/32/1038321032.db2.gz UUGKIYHCJIKGEC-UHFFFAOYSA-N 0 3 324.472 4.010 20 30 DIEDHN N#Cc1ccc(CNCCc2ccc(-c3ccccc3)cc2)o1 ZINC000610803718 1038351625 /nfs/dbraw/zinc/35/16/25/1038351625.db2.gz VOKBIOMSTKIKLR-UHFFFAOYSA-N 0 3 302.377 4.151 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1cccc(C#N)c1 ZINC000610830545 1038372185 /nfs/dbraw/zinc/37/21/85/1038372185.db2.gz ZWCWUCDMLUXYPX-ZIAGYGMSSA-N 0 3 311.404 4.175 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NC2CC(F)(F)C2)cc1 ZINC000277240454 1038462109 /nfs/dbraw/zinc/46/21/09/1038462109.db2.gz ZRXHADJOXSPRIE-NSHDSACASA-N 0 3 301.764 4.266 20 30 DIEDHN N#CCOc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000171769102 1038485994 /nfs/dbraw/zinc/48/59/94/1038485994.db2.gz ZJLVUBHCCBEUAR-UHFFFAOYSA-N 0 3 321.207 4.186 20 30 DIEDHN CC(C)(CCC#N)CNCc1csc(-c2ccsc2)n1 ZINC000342275677 1038513138 /nfs/dbraw/zinc/51/31/38/1038513138.db2.gz JNZXSNJFTQEAJK-UHFFFAOYSA-N 0 3 305.472 4.291 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000172116737 1038548806 /nfs/dbraw/zinc/54/88/06/1038548806.db2.gz PADYJGMZOLGVBW-FQEVSTJZSA-N 0 3 309.384 4.005 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000606902700 1038638848 /nfs/dbraw/zinc/63/88/48/1038638848.db2.gz SIJIPBAZZKAETG-HNNXBMFYSA-N 0 3 322.880 4.195 20 30 DIEDHN Cc1cnc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000277588737 1038660599 /nfs/dbraw/zinc/66/05/99/1038660599.db2.gz WNODRBRWMISNCC-AWEZNQCLSA-N 0 3 311.454 4.264 20 30 DIEDHN C=CC[C@@H]1CCN1Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000934462238 1038663318 /nfs/dbraw/zinc/66/33/18/1038663318.db2.gz PYWOFJUPVYEZEU-QGZVFWFLSA-N 0 3 312.388 4.047 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCCS2 ZINC000187753028 1038694786 /nfs/dbraw/zinc/69/47/86/1038694786.db2.gz VGWFOMYFCWYHBI-SFHVURJKSA-N 0 3 324.449 4.284 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)s1 ZINC000127847860 1038700616 /nfs/dbraw/zinc/70/06/16/1038700616.db2.gz FZRRYHPLBHKLME-ZDUSSCGKSA-N 0 3 323.421 4.141 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(Br)s1 ZINC000657529632 1038766505 /nfs/dbraw/zinc/76/65/05/1038766505.db2.gz FYMJCWNNYVKJMQ-MNOVXSKESA-N 0 3 315.280 4.130 20 30 DIEDHN C=CCC1(NCc2csc(Cl)c2Cl)CCOCC1 ZINC000657633590 1038931348 /nfs/dbraw/zinc/93/13/48/1038931348.db2.gz QZYCCHHZLZREEM-UHFFFAOYSA-N 0 3 306.258 4.270 20 30 DIEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)c1cccc(C#N)c1 ZINC000442670689 1039102856 /nfs/dbraw/zinc/10/28/56/1039102856.db2.gz DSEOONAMZKSKCW-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN COc1cc(CN2CCC[C@H]2c2ccc(C)s2)ccc1C#N ZINC000442894603 1039248472 /nfs/dbraw/zinc/24/84/72/1039248472.db2.gz ZSQUJTZCARHNEW-INIZCTEOSA-N 0 3 312.438 4.274 20 30 DIEDHN CC(C)(C)c1ccccc1OCCNCc1ccc(C#N)s1 ZINC000539501415 1039272786 /nfs/dbraw/zinc/27/27/86/1039272786.db2.gz XTZIZQPLBRMWHB-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN CC[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000278295640 1039360999 /nfs/dbraw/zinc/36/09/99/1039360999.db2.gz RHKLYVBUWYADHU-QGZVFWFLSA-N 0 3 316.351 4.401 20 30 DIEDHN C=CCC[C@@H](O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000245999770 1039408083 /nfs/dbraw/zinc/40/80/83/1039408083.db2.gz ILROFOISDCEHCZ-DYVFJYSZSA-N 0 3 319.495 4.084 20 30 DIEDHN CCCNc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000278367345 1039419277 /nfs/dbraw/zinc/41/92/77/1039419277.db2.gz BWDUHVMVJVMLKF-AWEZNQCLSA-N 0 3 311.404 4.370 20 30 DIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 ZINC000278391882 1039436931 /nfs/dbraw/zinc/43/69/31/1039436931.db2.gz DVZANPOMSZXMOO-LJQANCHMSA-N 0 3 301.393 4.160 20 30 DIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccccc1F ZINC000540168185 1039437664 /nfs/dbraw/zinc/43/76/64/1039437664.db2.gz CUIFIKGMGHGDRG-CQSZACIVSA-N 0 3 314.429 4.281 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1F ZINC000540338636 1039480995 /nfs/dbraw/zinc/48/09/95/1039480995.db2.gz SLNWGUZSGGCMTC-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342382 1039482082 /nfs/dbraw/zinc/48/20/82/1039482082.db2.gz BBEPBSYAHIKGBB-VHSXEESVSA-N 0 3 306.208 4.110 20 30 DIEDHN Cc1cc([C@@H](NCc2ccc(C#N)s2)C2CC2)ccc1F ZINC000540628698 1039533105 /nfs/dbraw/zinc/53/31/05/1039533105.db2.gz ZSYJZPVPMRRDRO-KRWDZBQOSA-N 0 3 300.402 4.308 20 30 DIEDHN CC[C@@H](NC1(c2cccc(OC)c2)CC1)c1ccc(C#N)cc1 ZINC000278641736 1039614866 /nfs/dbraw/zinc/61/48/66/1039614866.db2.gz HNAGMEBOSADIGS-LJQANCHMSA-N 0 3 306.409 4.297 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(OC(F)F)c1 ZINC000491402565 1039844663 /nfs/dbraw/zinc/84/46/63/1039844663.db2.gz URCORZWKCJNKTO-CYBMUJFWSA-N 0 3 316.351 4.353 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2[nH]ccc21 ZINC000093872516 1039903617 /nfs/dbraw/zinc/90/36/17/1039903617.db2.gz UVEZMEZDKRKIEY-PZJWPPBQSA-N 0 3 315.420 4.440 20 30 DIEDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271966563 1039941122 /nfs/dbraw/zinc/94/11/22/1039941122.db2.gz VOZRDIWYZKJJHY-OAHLLOKOSA-N 0 3 323.415 4.148 20 30 DIEDHN CCOCc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271981763 1039947223 /nfs/dbraw/zinc/94/72/23/1039947223.db2.gz ZADBEHOWWGASSK-AWEZNQCLSA-N 0 3 312.388 4.085 20 30 DIEDHN N#Cc1ccc(Br)c(CN2CCC[C@@H]2C2CCC2)c1 ZINC000492400056 1039959940 /nfs/dbraw/zinc/95/99/40/1039959940.db2.gz QVTMFBQLOPUKKS-MRXNPFEDSA-N 0 3 319.246 4.085 20 30 DIEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1Br ZINC000492609377 1039987029 /nfs/dbraw/zinc/98/70/29/1039987029.db2.gz SZJKAAVYJQTVDH-BXUZGUMPSA-N 0 3 307.235 4.084 20 30 DIEDHN CCCC[C@@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818316 1040024679 /nfs/dbraw/zinc/02/46/79/1040024679.db2.gz NLSHZZGLGUNTGM-WBVHZDCISA-N 0 3 324.428 4.057 20 30 DIEDHN CCCC[C@@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818314 1040025298 /nfs/dbraw/zinc/02/52/98/1040025298.db2.gz NLSHZZGLGUNTGM-NVXWUHKLSA-N 0 3 324.428 4.057 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)s1 ZINC000657928886 1040187106 /nfs/dbraw/zinc/18/71/06/1040187106.db2.gz WBVZFEWLESRNTR-ZBFHGGJFSA-N 0 3 313.470 4.430 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(COC(C)(C)C)on1 ZINC000657982114 1040245355 /nfs/dbraw/zinc/24/53/55/1040245355.db2.gz UYDRPZJTKCEVBN-WMLDXEAASA-N 0 3 306.450 4.214 20 30 DIEDHN N#CC(C(=O)CCCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000892420499 1040249750 /nfs/dbraw/zinc/24/97/50/1040249750.db2.gz SXYQQUQNDRYHDM-MRXNPFEDSA-N 0 3 317.392 4.152 20 30 DIEDHN CCCCCCCCCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001167684435 1040399219 /nfs/dbraw/zinc/39/92/19/1040399219.db2.gz GNUGRFLOUHQMOH-DLBZAZTESA-N 0 3 317.539 4.025 20 30 DIEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000658334729 1040424910 /nfs/dbraw/zinc/42/49/10/1040424910.db2.gz AJXXFZSTIBJCND-VXGBXAGGSA-N 0 3 307.846 4.266 20 30 DIEDHN CC(C)COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000179454355 1040461398 /nfs/dbraw/zinc/46/13/98/1040461398.db2.gz PQSSVDHRRYUZRX-MRXNPFEDSA-N 0 3 308.425 4.444 20 30 DIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000179602727 1040512194 /nfs/dbraw/zinc/51/21/94/1040512194.db2.gz MYBWMAJZPBTYDT-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN C[C@@H](c1ccc(OC(F)F)cc1)N(C)Cc1cccc(C#N)c1 ZINC000066420942 1040835282 /nfs/dbraw/zinc/83/52/82/1040835282.db2.gz WLYFLTXXQIIPQR-ZDUSSCGKSA-N 0 3 316.351 4.353 20 30 DIEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C2CCCC2)nc1 ZINC000581891915 1040895327 /nfs/dbraw/zinc/89/53/27/1040895327.db2.gz KEYCGBSTOHYGQC-UHFFFAOYSA-N 0 3 309.388 4.037 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(Br)cc1F ZINC000414162509 1040941286 /nfs/dbraw/zinc/94/12/86/1040941286.db2.gz HGEUQQLAAYUFSY-SNVBAGLBSA-N 0 3 313.214 4.179 20 30 DIEDHN CC[C@H](C)Oc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000175082787 1041034585 /nfs/dbraw/zinc/03/45/85/1041034585.db2.gz YVQWPDANEYUYQO-WFASDCNBSA-N 0 3 314.410 4.119 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000616810509 1041130886 /nfs/dbraw/zinc/13/08/86/1041130886.db2.gz YQRXASJAQVQPCK-HNNXBMFYSA-N 0 3 310.363 4.277 20 30 DIEDHN C#Cc1ccc(CNCc2cccc(COC(C)(C)C)c2)cc1 ZINC000809612084 1041195237 /nfs/dbraw/zinc/19/52/37/1041195237.db2.gz DYJPGSMWGZRKAL-UHFFFAOYSA-N 0 3 307.437 4.273 20 30 DIEDHN C#Cc1ccc(CNCc2cc(Br)ccc2C)cc1 ZINC000809650170 1041212160 /nfs/dbraw/zinc/21/21/60/1041212160.db2.gz PWBIKEYWBNUPOS-UHFFFAOYSA-N 0 3 314.226 4.029 20 30 DIEDHN C=CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000809689875 1041216502 /nfs/dbraw/zinc/21/65/02/1041216502.db2.gz XJJVBOXENFEKOW-UHFFFAOYSA-N 0 3 317.816 4.209 20 30 DIEDHN C#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000809663770 1041221412 /nfs/dbraw/zinc/22/14/12/1041221412.db2.gz USURCGABTXHPNY-MRXNPFEDSA-N 0 3 307.359 4.222 20 30 DIEDHN C/C=C\COc1ccc(CC[C@H](C)NCC(C)(C)C#N)cc1 ZINC000613540397 1041235848 /nfs/dbraw/zinc/23/58/48/1041235848.db2.gz UQBCBCWJXVZTHZ-KJPDOMRESA-N 0 3 300.446 4.102 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2csc3ccccc23)cc1 ZINC000728711952 1041479189 /nfs/dbraw/zinc/47/91/89/1041479189.db2.gz PUNCZZOQCYAPEN-CQSZACIVSA-N 0 3 322.433 4.482 20 30 DIEDHN N#Cc1ccc(CN2CCC3(CCCC3)C2)c(C(F)(F)F)c1 ZINC000811463149 1041520569 /nfs/dbraw/zinc/52/05/69/1041520569.db2.gz LQXLWLVEDNVAIX-UHFFFAOYSA-N 0 3 308.347 4.343 20 30 DIEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)cc1C#N ZINC001170639547 1041546504 /nfs/dbraw/zinc/54/65/04/1041546504.db2.gz QGKNKXSICKJGJY-SIFCLUCFSA-N 0 3 308.400 4.464 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187678959 1041661829 /nfs/dbraw/zinc/66/18/29/1041661829.db2.gz STUZYZXRHDVIAU-INIZCTEOSA-N 0 3 318.420 4.025 20 30 DIEDHN CC(C)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375924 1041667865 /nfs/dbraw/zinc/66/78/65/1041667865.db2.gz ZYNSAWROFHAEIP-AZUAARDMSA-N 0 3 323.415 4.457 20 30 DIEDHN N#CC(C(=O)CCCC1CC1)c1nc2ccccc2n1C(F)F ZINC000813060743 1041670595 /nfs/dbraw/zinc/67/05/95/1041670595.db2.gz ITVUBCYKDNBFNL-GFCCVEGCSA-N 0 3 317.339 4.188 20 30 DIEDHN C#CCOc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000236696193 1041689040 /nfs/dbraw/zinc/68/90/40/1041689040.db2.gz CQRVMKWMLMOVKK-UHFFFAOYSA-N 0 3 315.363 4.002 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCc3ccccc3[C@H]2C)cc1 ZINC000093149407 1041883914 /nfs/dbraw/zinc/88/39/14/1041883914.db2.gz YCWQFSZKCALWQU-JKSUJKDBSA-N 0 3 306.409 4.097 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000594501185 1041932736 /nfs/dbraw/zinc/93/27/36/1041932736.db2.gz WIJZGXSLOXPUIN-IBGZPJMESA-N 0 3 308.400 4.404 20 30 DIEDHN C#CCCNC1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000815303170 1041942155 /nfs/dbraw/zinc/94/21/55/1041942155.db2.gz WSQZKOBCQNRUME-UHFFFAOYSA-N 0 3 314.429 4.250 20 30 DIEDHN C=CC[C@@H](N[C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580821 1041965742 /nfs/dbraw/zinc/96/57/42/1041965742.db2.gz RKHSQTXQLRTYSV-RBUKOAKNSA-N 0 3 324.424 4.226 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662086308 1042059650 /nfs/dbraw/zinc/05/96/50/1042059650.db2.gz QTJLPVGZHZWZGP-BMFZPTHFSA-N 0 3 318.848 4.158 20 30 DIEDHN N#C[C@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000818356636 1042151037 /nfs/dbraw/zinc/15/10/37/1042151037.db2.gz PAPAYMJEBXDWIT-NLWGTHIKSA-N 0 3 320.436 4.348 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(C#N)cc2OC)C(C)C)cc1 ZINC000182053256 1042264495 /nfs/dbraw/zinc/26/44/95/1042264495.db2.gz XLZUEUQGDPHIBE-HXUWFJFHSA-N 0 3 324.424 4.062 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000822525430 1042289137 /nfs/dbraw/zinc/28/91/37/1042289137.db2.gz GQODFAGBKFWFMB-JKSUJKDBSA-N 0 3 319.408 4.042 20 30 DIEDHN CCN(CC)[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccco1 ZINC000067005695 1042294421 /nfs/dbraw/zinc/29/44/21/1042294421.db2.gz OAGJCFSMDHRGSF-BKQORJHRSA-N 0 3 320.820 4.141 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000823616879 1042335008 /nfs/dbraw/zinc/33/50/08/1042335008.db2.gz COIWQCWINXRXTI-KBXCAEBGSA-N 0 3 320.392 4.031 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)cc1C ZINC000614164678 1042419880 /nfs/dbraw/zinc/41/98/80/1042419880.db2.gz PKHBWNMFHFCDFV-UHFFFAOYSA-N 0 3 322.452 4.437 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC(Cc3ccc(F)cc3)C2)cc1 ZINC000614177311 1042422704 /nfs/dbraw/zinc/42/27/04/1042422704.db2.gz PBOGTORGCGIYIE-UHFFFAOYSA-N 0 3 322.427 4.301 20 30 DIEDHN COc1ccc(C2(NCc3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000614179674 1042423513 /nfs/dbraw/zinc/42/35/13/1042423513.db2.gz WLQQPIQAWYPAOE-UHFFFAOYSA-N 0 3 320.436 4.275 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccc(C#N)c1 ZINC000614179543 1042423578 /nfs/dbraw/zinc/42/35/78/1042423578.db2.gz RFOJDKFUCMSLCY-OAHLLOKOSA-N 0 3 303.409 4.210 20 30 DIEDHN CCc1cnccc1[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614182244 1042424117 /nfs/dbraw/zinc/42/41/17/1042424117.db2.gz JPVKNYHPARTWQV-HNNXBMFYSA-N 0 3 307.441 4.296 20 30 DIEDHN CCc1cnccc1[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614182247 1042424214 /nfs/dbraw/zinc/42/42/14/1042424214.db2.gz JPVKNYHPARTWQV-OAHLLOKOSA-N 0 3 307.441 4.296 20 30 DIEDHN COc1ccccc1C(C)(C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000237105727 1042524674 /nfs/dbraw/zinc/52/46/74/1042524674.db2.gz HSZDPBZDUCUFSD-OAHLLOKOSA-N 0 3 324.424 4.011 20 30 DIEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000419838464 1042593712 /nfs/dbraw/zinc/59/37/12/1042593712.db2.gz ORZDSTSMCOICJE-JTQLQIEISA-N 0 3 319.455 4.056 20 30 DIEDHN Cc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618803477 1042600003 /nfs/dbraw/zinc/60/00/03/1042600003.db2.gz IOCSOBNSHYATHF-SCLBCKFNSA-N 0 3 321.380 4.113 20 30 DIEDHN CC[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805727 1042611313 /nfs/dbraw/zinc/61/13/13/1042611313.db2.gz PAJGGYSVRIQMKS-RBUKOAKNSA-N 0 3 321.380 4.195 20 30 DIEDHN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000319677223 1042626517 /nfs/dbraw/zinc/62/65/17/1042626517.db2.gz ABSLKZGAXSDQLZ-CABCVRRESA-N 0 3 310.397 4.009 20 30 DIEDHN CC[C@@H]1c2ccsc2CCN1CCOc1ccc(C#N)cc1 ZINC000016420404 1042638941 /nfs/dbraw/zinc/63/89/41/1042638941.db2.gz DWJFCSLKSRTEON-QGZVFWFLSA-N 0 3 312.438 4.008 20 30 DIEDHN Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc(C)n1 ZINC000421855524 1042657756 /nfs/dbraw/zinc/65/77/56/1042657756.db2.gz MMLCNEREJAZVHK-HXUWFJFHSA-N 0 3 305.425 4.127 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000424203043 1042729166 /nfs/dbraw/zinc/72/91/66/1042729166.db2.gz UHNMOIXWXWFYRO-QWHCGFSZSA-N 0 3 300.789 4.382 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000424191791 1042729474 /nfs/dbraw/zinc/72/94/74/1042729474.db2.gz ICJXLVFQCBAMPR-OLZOCXBDSA-N 0 3 323.421 4.338 20 30 DIEDHN CCc1oc2ccccc2c1CN(C)Cc1cccc(C#N)c1 ZINC000514712775 1042788555 /nfs/dbraw/zinc/78/85/55/1042788555.db2.gz MXOBUHGCFUIPJH-UHFFFAOYSA-N 0 3 304.393 4.499 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000515511599 1042823277 /nfs/dbraw/zinc/82/32/77/1042823277.db2.gz OJWOQIOZXJIQGQ-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN Cc1noc2ncc(CN[C@@H](CCCC#N)c3ccccc3)cc12 ZINC000894855145 1042989507 /nfs/dbraw/zinc/98/95/07/1042989507.db2.gz NOVDHBXHUZJRMQ-SFHVURJKSA-N 0 3 320.396 4.056 20 30 DIEDHN COc1cc(CN([C@H](C)c2ccccc2)C2CC2)ccc1C#N ZINC000519790866 1043002367 /nfs/dbraw/zinc/00/23/67/1043002367.db2.gz PQDSQDQAOTVTQP-OAHLLOKOSA-N 0 3 306.409 4.292 20 30 DIEDHN Cc1nn(C(C)C)c(C)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000894964775 1043052042 /nfs/dbraw/zinc/05/20/42/1043052042.db2.gz YHMFDOMJDWQGRM-FQEVSTJZSA-N 0 3 322.456 4.120 20 30 DIEDHN COc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918876 1043055243 /nfs/dbraw/zinc/05/52/43/1043055243.db2.gz JPOGEWISMHTTBL-LSDHHAIUSA-N 0 3 324.424 4.296 20 30 DIEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000176944133 1043102112 /nfs/dbraw/zinc/10/21/12/1043102112.db2.gz GTXMCHMGQCWSMB-JTQLQIEISA-N 0 3 308.353 4.072 20 30 DIEDHN CC1CCC(N(Cc2ccccc2C#N)C[C@@H]2CCCO2)CC1 ZINC000441468730 1043153008 /nfs/dbraw/zinc/15/30/08/1043153008.db2.gz UNTLKRXMEIQEAI-GQOXECLESA-N 0 3 312.457 4.118 20 30 DIEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619470 1043238244 /nfs/dbraw/zinc/23/82/44/1043238244.db2.gz GKHWOKZQXFBVEU-SJCJKPOMSA-N 0 3 303.365 4.038 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cc3cnccc3o2)cc1 ZINC000866622397 1043240078 /nfs/dbraw/zinc/24/00/78/1043240078.db2.gz ZFFFLTATOXKYBQ-LSDHHAIUSA-N 0 3 320.392 4.252 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268789265 1043330542 /nfs/dbraw/zinc/33/05/42/1043330542.db2.gz FIGGPRZWUODVAJ-UONOGXRCSA-N 0 3 309.369 4.187 20 30 DIEDHN CCN(Cc1cccc(OCCCC#N)c1)[C@H](C)c1cccnc1 ZINC000521317911 1043386522 /nfs/dbraw/zinc/38/65/22/1043386522.db2.gz DSQQASYOXMDVRV-QGZVFWFLSA-N 0 3 323.440 4.347 20 30 DIEDHN CCCCCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442799801 1043426551 /nfs/dbraw/zinc/42/65/51/1043426551.db2.gz ZYOVXCKZKRKUMN-FUHWJXTLSA-N 0 3 300.446 4.346 20 30 DIEDHN COc1cc(CN(Cc2ccc(C)s2)C(C)C)ccc1C#N ZINC000442808307 1043430175 /nfs/dbraw/zinc/43/01/75/1043430175.db2.gz HCNKVKHLDXGUML-UHFFFAOYSA-N 0 3 314.454 4.347 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871951 1043440706 /nfs/dbraw/zinc/44/07/06/1043440706.db2.gz MLFCUDRFLVCXAY-WRWLIDTKSA-N 0 3 318.420 4.459 20 30 DIEDHN Cc1cccc(CN(C)Cc2cccc(OCCCC#N)c2)c1 ZINC000349699929 1043520080 /nfs/dbraw/zinc/52/00/80/1043520080.db2.gz PJKWJPFWEDRAKL-UHFFFAOYSA-N 0 3 308.425 4.310 20 30 DIEDHN Cc1nc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000350651384 1043549137 /nfs/dbraw/zinc/54/91/37/1043549137.db2.gz AQGDSCBUFJCLQV-UHFFFAOYSA-N 0 3 313.470 4.290 20 30 DIEDHN N#CC(C(=O)C1CCC(F)(F)CC1)c1ccc2ccccc2n1 ZINC000759188682 1043586353 /nfs/dbraw/zinc/58/63/53/1043586353.db2.gz YOILGOYVZRZDQG-CQSZACIVSA-N 0 3 314.335 4.237 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCOc3ccccc31)CC2 ZINC000353388985 1043605218 /nfs/dbraw/zinc/60/52/18/1043605218.db2.gz QUXHDUISPILJIL-OALUTQOASA-N 0 3 304.393 4.049 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926603012 1043606442 /nfs/dbraw/zinc/60/64/42/1043606442.db2.gz QRSZPMQQFASCAO-CWTRNNRKSA-N 0 3 310.372 4.131 20 30 DIEDHN C=CCC[C@H](NCc1cccc(-n2ccnc2)c1)c1ccco1 ZINC000353521591 1043612934 /nfs/dbraw/zinc/61/29/34/1043612934.db2.gz QILNPEVOCHDHHH-SFHVURJKSA-N 0 3 307.397 4.262 20 30 DIEDHN CC(C)Cn1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353911330 1043656906 /nfs/dbraw/zinc/65/69/06/1043656906.db2.gz BIFJYNVXAUVZQY-IBGZPJMESA-N 0 3 310.445 4.064 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000353904491 1043657049 /nfs/dbraw/zinc/65/70/49/1043657049.db2.gz ACSNFWUXDYAWMH-HXUWFJFHSA-N 0 3 308.425 4.288 20 30 DIEDHN CCc1nc2c(s1)[C@@H](NCc1ccc(C)c(C#N)c1)CCC2 ZINC000926967945 1043664274 /nfs/dbraw/zinc/66/42/74/1043664274.db2.gz ZCXIEHATLCDTSX-HNNXBMFYSA-N 0 3 311.454 4.053 20 30 DIEDHN C=CCOc1cccc(CN2CCC(OCCCC)CC2)c1 ZINC000353997057 1043670843 /nfs/dbraw/zinc/67/08/43/1043670843.db2.gz HVJCVZZVNRTLQP-UHFFFAOYSA-N 0 3 303.446 4.033 20 30 DIEDHN COCCCC[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000355291094 1043758241 /nfs/dbraw/zinc/75/82/41/1043758241.db2.gz MKLVYMSOMIWGSC-SFHVURJKSA-N 0 3 314.454 4.267 20 30 DIEDHN C[C@@H](CCc1cncc2ccccc21)NCC1(C#N)CCCC1 ZINC000877609678 1043779063 /nfs/dbraw/zinc/77/90/63/1043779063.db2.gz NBJLVOALOOOUBB-INIZCTEOSA-N 0 3 307.441 4.229 20 30 DIEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929162038 1043795948 /nfs/dbraw/zinc/79/59/48/1043795948.db2.gz DSXIXAULXKGUND-QZTJIDSGSA-N 0 3 312.363 4.039 20 30 DIEDHN C[C@]1(C(F)(F)F)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877813392 1043799570 /nfs/dbraw/zinc/79/95/70/1043799570.db2.gz YNYAGKKWLAKWNN-HNNXBMFYSA-N 0 3 308.347 4.016 20 30 DIEDHN C=CC[C@H](C)N(CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000877919998 1043825579 /nfs/dbraw/zinc/82/55/79/1043825579.db2.gz AKENBNRVLGFFRK-NSHDSACASA-N 0 3 315.244 4.218 20 30 DIEDHN C#CCCCCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000877990078 1043837505 /nfs/dbraw/zinc/83/75/05/1043837505.db2.gz NGILNWPNWWSPSF-TXEJJXNPSA-N 0 3 315.301 4.243 20 30 DIEDHN CC(C)(C)C[C@H](NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000930204187 1043894469 /nfs/dbraw/zinc/89/44/69/1043894469.db2.gz IVGUJIFPMQCHRR-SFHVURJKSA-N 0 3 311.404 4.359 20 30 DIEDHN C=C(C)COc1cc(CNCc2ccccc2C)ccc1OC ZINC000127265541 1043910390 /nfs/dbraw/zinc/91/03/90/1043910390.db2.gz ZGMIMMSRQLKWOR-UHFFFAOYSA-N 0 3 311.425 4.248 20 30 DIEDHN CC1(C)CCc2ccccc2[C@H](NCc2cncc(C#N)c2)C1 ZINC000930323333 1043913145 /nfs/dbraw/zinc/91/31/45/1043913145.db2.gz DERKJKACPRRFGE-LJQANCHMSA-N 0 3 305.425 4.147 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1cc2cnccc2o1 ZINC000931565528 1044045781 /nfs/dbraw/zinc/04/57/81/1044045781.db2.gz QGCVCASPSAFKPU-AWEZNQCLSA-N 0 3 305.381 4.167 20 30 DIEDHN C=CCCC[C@H](NCc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000931694404 1044060036 /nfs/dbraw/zinc/06/00/36/1044060036.db2.gz KIWKRCKYDFZYQR-IBGZPJMESA-N 0 3 324.424 4.055 20 30 DIEDHN COCCN(CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000346778359 1044142520 /nfs/dbraw/zinc/14/25/20/1044142520.db2.gz INCRNXMWNZNUBW-CYBMUJFWSA-N 0 3 314.351 4.019 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1cccnc1 ZINC000346984266 1044180843 /nfs/dbraw/zinc/18/08/43/1044180843.db2.gz CBIJBACWJWONPY-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN C#CCC1(NCc2nnc(-c3ccccc3)s2)CCCCC1 ZINC000933265225 1044190624 /nfs/dbraw/zinc/19/06/24/1044190624.db2.gz USHTWZVHNXHVEY-UHFFFAOYSA-N 0 3 311.454 4.021 20 30 DIEDHN Cc1nn(C(C)C)cc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612237 1044204386 /nfs/dbraw/zinc/20/43/86/1044204386.db2.gz WHLJMSIVGINLGU-UHFFFAOYSA-N 0 3 322.456 4.024 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934693590 1044270459 /nfs/dbraw/zinc/27/04/59/1044270459.db2.gz SYVHVKZHCMEPKF-LJQANCHMSA-N 0 3 305.425 4.124 20 30 DIEDHN C=CCCC[C@H](NCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000883325069 1044274976 /nfs/dbraw/zinc/27/49/76/1044274976.db2.gz NRMGDWPRUNQLPV-KRWDZBQOSA-N 0 3 319.399 4.335 20 30 DIEDHN CSc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000360659341 1044296095 /nfs/dbraw/zinc/29/60/95/1044296095.db2.gz YIHWOZVSWZBJLZ-GOSISDBHSA-N 0 3 323.465 4.232 20 30 DIEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000740530727 1044396538 /nfs/dbraw/zinc/39/65/38/1044396538.db2.gz ABPACWHDXPJLMF-UKRRQHHQSA-N 0 3 304.349 4.116 20 30 DIEDHN N#CC(C(=O)CCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000041495382 1044494610 /nfs/dbraw/zinc/49/46/10/1044494610.db2.gz HKOSHWWCADARAC-CQSZACIVSA-N 0 3 323.783 4.025 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861798 1044568461 /nfs/dbraw/zinc/56/84/61/1044568461.db2.gz GPZZBWDBPLYHKW-WBMJQRKESA-N 0 3 311.816 4.335 20 30 DIEDHN C=CCCN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000567958376 1044593459 /nfs/dbraw/zinc/59/34/59/1044593459.db2.gz JNFHKRNFRCYUDY-UHFFFAOYSA-N 0 3 304.846 4.398 20 30 DIEDHN C=CC[C@H]1N(Cc2nnc(-c3ccccc3)o2)CCCC1(C)C ZINC000444788874 1044630324 /nfs/dbraw/zinc/63/03/24/1044630324.db2.gz YJIRGXTVUJLDEX-MRXNPFEDSA-N 0 3 311.429 4.303 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1C#N ZINC000886689523 1044681840 /nfs/dbraw/zinc/68/18/40/1044681840.db2.gz BNJSJGRNURMKLW-GOSISDBHSA-N 0 3 323.465 4.317 20 30 DIEDHN N#CCSCCCN(Cc1cccs1)Cc1cccs1 ZINC000074980406 1044687424 /nfs/dbraw/zinc/68/74/24/1044687424.db2.gz ADKRALGXXFCYBX-UHFFFAOYSA-N 0 3 322.524 4.459 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000569698359 1044706571 /nfs/dbraw/zinc/70/65/71/1044706571.db2.gz MTUNQUBHMKBXAD-QGPMSJSTSA-N 0 3 315.848 4.399 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933920 1044721079 /nfs/dbraw/zinc/72/10/79/1044721079.db2.gz WKFHSGJFDDFXHK-ZFWWWQNUSA-N 0 3 320.358 4.487 20 30 DIEDHN COc1ccc2c(c1)CN(CCCCC#N)[C@@H](c1ccccc1)C2 ZINC000121961182 1044768827 /nfs/dbraw/zinc/76/88/27/1044768827.db2.gz FMFWGHLJKRLARR-OAQYLSRUSA-N 0 3 320.436 4.488 20 30 DIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000156582277 1044815669 /nfs/dbraw/zinc/81/56/69/1044815669.db2.gz GKSUDTIRYCSECH-TZMCWYRMSA-N 0 3 316.451 4.128 20 30 DIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000156582156 1044815709 /nfs/dbraw/zinc/81/57/09/1044815709.db2.gz GKSUDTIRYCSECH-OCCSQVGLSA-N 0 3 316.451 4.128 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)NCC#Cc1ccc(Cl)cc1 ZINC000445882594 1044843250 /nfs/dbraw/zinc/84/32/50/1044843250.db2.gz BRMPWBUQHNKYHN-AWEZNQCLSA-N 0 3 303.755 4.258 20 30 DIEDHN CN(CCCC1(C#N)CCOCC1)Cc1cc(Cl)ccc1F ZINC000337220267 1044876238 /nfs/dbraw/zinc/87/62/38/1044876238.db2.gz BWGJTWVWBUROSA-UHFFFAOYSA-N 0 3 324.827 4.011 20 30 DIEDHN C=C(C)[C@H](NCCc1cccc(C)n1)c1ccc(F)c(F)c1 ZINC000573840153 1044924839 /nfs/dbraw/zinc/92/48/39/1044924839.db2.gz NBIHFEXPPWCQCL-SFHVURJKSA-N 0 3 302.368 4.118 20 30 DIEDHN CC[C@@H](N[C@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209464 1044951795 /nfs/dbraw/zinc/95/17/95/1044951795.db2.gz WFYFONLPIFYMIH-WBVHZDCISA-N 0 3 311.454 4.442 20 30 DIEDHN CSc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1F ZINC000574453377 1044954489 /nfs/dbraw/zinc/95/44/89/1044954489.db2.gz VXZCEILEBDWDQV-ZDUSSCGKSA-N 0 3 314.429 4.464 20 30 DIEDHN N#CC(C(=O)CCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000046706324 1044975837 /nfs/dbraw/zinc/97/58/37/1044975837.db2.gz DDROJPZEAUFMEY-CYBMUJFWSA-N 0 3 323.783 4.025 20 30 DIEDHN N#CC1(CCN2CCC(C(=O)c3ccccc3)CC2)CCCCC1 ZINC000411132673 1044979224 /nfs/dbraw/zinc/97/92/24/1044979224.db2.gz LBMKNWHDJUXNBK-UHFFFAOYSA-N 0 3 324.468 4.445 20 30 DIEDHN COc1ccc([C@@H](C)NCCC2(C#N)CCCCC2)cc1F ZINC000411449573 1045008523 /nfs/dbraw/zinc/00/85/23/1045008523.db2.gz DFOFCAJNHZTAQE-CQSZACIVSA-N 0 3 304.409 4.349 20 30 DIEDHN N#CC1(CCN[C@H](CCO)c2ccc(Cl)cc2)CCCCC1 ZINC000411734417 1045028186 /nfs/dbraw/zinc/02/81/86/1045028186.db2.gz BBINUASMDBSPGS-QGZVFWFLSA-N 0 3 320.864 4.217 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000153422089 1045057502 /nfs/dbraw/zinc/05/75/02/1045057502.db2.gz SXYUHUOLZWKKLT-CQSZACIVSA-N 0 3 324.399 4.337 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000153422006 1045058062 /nfs/dbraw/zinc/05/80/62/1045058062.db2.gz SXYUHUOLZWKKLT-AWEZNQCLSA-N 0 3 324.399 4.337 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693887 1045073455 /nfs/dbraw/zinc/07/34/55/1045073455.db2.gz LSIPAKIZTCCJRX-WMLDXEAASA-N 0 3 310.372 4.400 20 30 DIEDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc(C#N)cs1 ZINC000577789149 1045171017 /nfs/dbraw/zinc/17/10/17/1045171017.db2.gz HZKYDQOWUMTIRG-DLBZAZTESA-N 0 3 311.454 4.173 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(OCc2ccccc2)c1 ZINC000924673771 1045189240 /nfs/dbraw/zinc/18/92/40/1045189240.db2.gz XEUJSNHMQMGDKZ-INIZCTEOSA-N 0 3 323.440 4.079 20 30 DIEDHN Cn1cc([C@@H](NCc2ccccc2C(C)(C)C#N)C(C)(C)C)cn1 ZINC000557586039 1045203361 /nfs/dbraw/zinc/20/33/61/1045203361.db2.gz YDBHHTHHCPXONE-GOSISDBHSA-N 0 3 324.472 4.098 20 30 DIEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1cccc(OC)c1OC ZINC000601283357 1045210554 /nfs/dbraw/zinc/21/05/54/1045210554.db2.gz WYWHWIGHWJDIPW-SFHVURJKSA-N 0 3 324.424 4.011 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073089 1045221936 /nfs/dbraw/zinc/22/19/36/1045221936.db2.gz AAEXLBYCCQDMRI-HNAYVOBHSA-N 0 3 310.441 4.277 20 30 DIEDHN CCCOCc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000578940962 1045282938 /nfs/dbraw/zinc/28/29/38/1045282938.db2.gz OKWRUHUNMNUORH-OAQYLSRUSA-N 0 3 320.436 4.262 20 30 DIEDHN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000579303002 1045306702 /nfs/dbraw/zinc/30/67/02/1045306702.db2.gz UESLVXYZGMFAGR-CYBMUJFWSA-N 0 3 323.362 4.016 20 30 DIEDHN CC1(C#N)CCC(N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000449205764 1045361514 /nfs/dbraw/zinc/36/15/14/1045361514.db2.gz MALLTZMLZFKWKF-SYYJFZTOSA-N 0 3 323.415 4.372 20 30 DIEDHN COc1ccc(C(C)(C)NCc2ccc(C#N)cc2C)cc1F ZINC000528679978 1045396221 /nfs/dbraw/zinc/39/62/21/1045396221.db2.gz QHJLEBDRMZUKSU-UHFFFAOYSA-N 0 3 312.388 4.039 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3cc[nH]c3c2)C2CC2)cc1 ZINC000529522538 1045490547 /nfs/dbraw/zinc/49/05/47/1045490547.db2.gz GOIQTWAAXBJSKD-UHFFFAOYSA-N 0 3 301.393 4.204 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1Cl ZINC000585726485 1045534038 /nfs/dbraw/zinc/53/40/38/1045534038.db2.gz JHKWTFIIWAOSGA-QGZVFWFLSA-N 0 3 312.800 4.084 20 30 DIEDHN CC(C)[Si](C#CNCC1(F)CCOCC1)(C(C)C)C(C)C ZINC001168123614 1045534570 /nfs/dbraw/zinc/53/45/70/1045534570.db2.gz JYSJSIDWWCWNSR-UHFFFAOYSA-N 0 3 313.533 4.274 20 30 DIEDHN C=C(Br)CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000381741605 1045582707 /nfs/dbraw/zinc/58/27/07/1045582707.db2.gz PAWJODPUMHXAIT-GHMZBOCLSA-N 0 3 302.643 4.330 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000113960928 1045563611 /nfs/dbraw/zinc/56/36/11/1045563611.db2.gz JFCAXOPYFUQRMQ-ZDUSSCGKSA-N 0 3 320.845 4.372 20 30 DIEDHN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC000450824505 1045571245 /nfs/dbraw/zinc/57/12/45/1045571245.db2.gz CWQBZPFDSIKSBE-UHFFFAOYSA-N 0 3 310.363 4.310 20 30 DIEDHN C#CCCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000779411848 1045678355 /nfs/dbraw/zinc/67/83/55/1045678355.db2.gz HZTJYZRAVOOIRQ-FQEVSTJZSA-N 0 3 304.393 4.310 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000800989928 1045678508 /nfs/dbraw/zinc/67/85/08/1045678508.db2.gz IVTPIVWLNDIEIU-CQSZACIVSA-N 0 3 324.811 4.074 20 30 DIEDHN CCOc1cccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000800990686 1045678748 /nfs/dbraw/zinc/67/87/48/1045678748.db2.gz RMQMSYHYLWZSHZ-CYBMUJFWSA-N 0 3 314.816 4.461 20 30 DIEDHN CN(Cc1cc(C#N)n(C)c1)C1c2ccccc2-c2ccccc21 ZINC000191405930 1045694908 /nfs/dbraw/zinc/69/49/08/1045694908.db2.gz MPWNSPBMFHYYAH-UHFFFAOYSA-N 0 3 313.404 4.099 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000192162472 1045787770 /nfs/dbraw/zinc/78/77/70/1045787770.db2.gz HDRSLYCZYYZGQK-OAHLLOKOSA-N 0 3 323.415 4.148 20 30 DIEDHN COc1ccc(C2(NCc3ccc(C#N)c(F)c3)CCCC2)cc1 ZINC000192155227 1045788011 /nfs/dbraw/zinc/78/80/11/1045788011.db2.gz UOIJMCSIRQXWGK-UHFFFAOYSA-N 0 3 324.399 4.265 20 30 DIEDHN CCCCc1oc2ccccc2c1CN(C)CCO[C@@H](C)C#N ZINC000801909964 1045834724 /nfs/dbraw/zinc/83/47/24/1045834724.db2.gz JCODFQLPSIEGIF-HNNXBMFYSA-N 0 3 314.429 4.136 20 30 DIEDHN C[C@H](c1cccs1)N(CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801916405 1045838156 /nfs/dbraw/zinc/83/81/56/1045838156.db2.gz XJMSLIONZXVETH-JKSUJKDBSA-N 0 3 314.454 4.240 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1Br)[C@@H](C)CC ZINC001137632831 1045914197 /nfs/dbraw/zinc/91/41/97/1045914197.db2.gz LSGACRGSDRWDMM-LBPRGKRZSA-N 0 3 309.251 4.331 20 30 DIEDHN C=CCc1cc(CN2CC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC000754726463 1045920917 /nfs/dbraw/zinc/92/09/17/1045920917.db2.gz PFFPUTAMYQPGBA-SFHVURJKSA-N 0 3 309.409 4.076 20 30 DIEDHN Cc1cccc(CN2CCC(c3ccc(C#N)cc3)CC2)c1F ZINC001137678205 1045930130 /nfs/dbraw/zinc/93/01/30/1045930130.db2.gz BJDJXQPWBICNML-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000755601386 1046001745 /nfs/dbraw/zinc/00/17/45/1046001745.db2.gz GGYIRMPEPKZMFN-HOCLYGCPSA-N 0 3 314.429 4.105 20 30 DIEDHN COc1ccc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1C#N ZINC000080339741 1046026836 /nfs/dbraw/zinc/02/68/36/1046026836.db2.gz CPIJDKQBFFQBHV-XCLFUZPHSA-N 0 3 324.399 4.119 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731667 1046054204 /nfs/dbraw/zinc/05/42/04/1046054204.db2.gz NTWPXGQBGIVVCV-VBKZILBWSA-N 0 3 321.424 4.319 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735636 1046054740 /nfs/dbraw/zinc/05/47/40/1046054740.db2.gz GZOLQGWGVNTLEH-GUYCJALGSA-N 0 3 308.381 4.089 20 30 DIEDHN CC[C@@H](NCc1ccc(N(CC)CC)nc1)c1cccc(C#N)c1 ZINC000902756776 1046063486 /nfs/dbraw/zinc/06/34/86/1046063486.db2.gz LPUDCCADLGNONO-LJQANCHMSA-N 0 3 322.456 4.040 20 30 DIEDHN CCOc1cc(CN[C@@H](CC)c2cccc(C#N)c2)ccc1OC ZINC000902803108 1046073309 /nfs/dbraw/zinc/07/33/09/1046073309.db2.gz FPVKWQXQGNCQGC-SFHVURJKSA-N 0 3 324.424 4.206 20 30 DIEDHN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000194060318 1046093280 /nfs/dbraw/zinc/09/32/80/1046093280.db2.gz ZERDXMUVGBNHCO-OAHLLOKOSA-N 0 3 320.392 4.494 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000453590526 1046095937 /nfs/dbraw/zinc/09/59/37/1046095937.db2.gz OWPSQTLLGXMCNJ-GFCCVEGCSA-N 0 3 324.327 4.269 20 30 DIEDHN CCCCn1cc(CN[C@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902893728 1046102043 /nfs/dbraw/zinc/10/20/43/1046102043.db2.gz CRUVCXHXQXTVKN-LJQANCHMSA-N 0 3 310.445 4.104 20 30 DIEDHN C=CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccncc1 ZINC000756582938 1046104735 /nfs/dbraw/zinc/10/47/35/1046104735.db2.gz LMHBTXQHKKARMK-KCXAZCMYSA-N 0 3 312.388 4.382 20 30 DIEDHN CC[C@@H](NC1(c2cccc(OC)c2)CC1)c1cccc(C#N)c1 ZINC000902916420 1046111829 /nfs/dbraw/zinc/11/18/29/1046111829.db2.gz QPZRJBCRZZUUSM-LJQANCHMSA-N 0 3 306.409 4.297 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000756710577 1046121617 /nfs/dbraw/zinc/12/16/17/1046121617.db2.gz ZKLCZRDQWYTLKM-RDJZCZTQSA-N 0 3 324.424 4.232 20 30 DIEDHN C=CCC[C@@H](NCc1cnc(CCC)o1)[C@@]1(C)CCCCO1 ZINC000903012552 1046141497 /nfs/dbraw/zinc/14/14/97/1046141497.db2.gz QLIDZBJHRUSNHS-SJLPKXTDSA-N 0 3 306.450 4.011 20 30 DIEDHN C=CCC[C@H](NCc1cnc(CCC)o1)[C@]1(C)CCCCO1 ZINC000903012553 1046141596 /nfs/dbraw/zinc/14/15/96/1046141596.db2.gz QLIDZBJHRUSNHS-WMZOPIPTSA-N 0 3 306.450 4.011 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OC)c(OCCC)c1)c1ccccc1 ZINC000756996993 1046157077 /nfs/dbraw/zinc/15/70/77/1046157077.db2.gz SWMTZKGGXSRYLM-LJQANCHMSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OCCC)c(OC)c1)c1ccccc1 ZINC000756995540 1046158072 /nfs/dbraw/zinc/15/80/72/1046158072.db2.gz IRERTCISOPBGIX-LJQANCHMSA-N 0 3 323.436 4.338 20 30 DIEDHN C=CCC[C@H](NCc1cnn(CC)c1)c1cccc(Cl)c1 ZINC000903121983 1046168254 /nfs/dbraw/zinc/16/82/54/1046168254.db2.gz UXDBVKAIYOEPAD-KRWDZBQOSA-N 0 3 303.837 4.354 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCO2 ZINC000903238813 1046204812 /nfs/dbraw/zinc/20/48/12/1046204812.db2.gz YECXOJXIWRZPQW-CHWSQXEVSA-N 0 3 310.372 4.044 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001138556184 1046225949 /nfs/dbraw/zinc/22/59/49/1046225949.db2.gz JEWOJWZGQDVMIE-HXUWFJFHSA-N 0 3 309.384 4.175 20 30 DIEDHN C=CCN(Cc1c[nH]c2cc(OC)ccc12)Cc1ccccc1 ZINC001138590579 1046236216 /nfs/dbraw/zinc/23/62/16/1046236216.db2.gz SSKBCBNDZUMPOY-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN COc1ccc(-c2cccc(CN3CCC(C)(C#N)CC3)c2)cc1 ZINC001138618291 1046244141 /nfs/dbraw/zinc/24/41/41/1046244141.db2.gz ZUYQFUFIECGQNC-UHFFFAOYSA-N 0 3 320.436 4.488 20 30 DIEDHN C=CCc1cccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c1[O-] ZINC001138629496 1046246224 /nfs/dbraw/zinc/24/62/24/1046246224.db2.gz AXMKTTADDAPERS-UHFFFAOYSA-N 0 3 324.468 4.209 20 30 DIEDHN C=CCc1cccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c1[O-] ZINC001138629496 1046246240 /nfs/dbraw/zinc/24/62/40/1046246240.db2.gz AXMKTTADDAPERS-UHFFFAOYSA-N 0 3 324.468 4.209 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC001138629221 1046246548 /nfs/dbraw/zinc/24/65/48/1046246548.db2.gz QXCDFSCGOKIRIK-MRXNPFEDSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1[O-] ZINC001138629221 1046246555 /nfs/dbraw/zinc/24/65/55/1046246555.db2.gz QXCDFSCGOKIRIK-MRXNPFEDSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1[O-] ZINC001138624295 1046246691 /nfs/dbraw/zinc/24/66/91/1046246691.db2.gz BSPSUIMZEVEPNC-UHFFFAOYSA-N 0 3 307.384 4.132 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)c1[O-] ZINC001138628626 1046247209 /nfs/dbraw/zinc/24/72/09/1046247209.db2.gz ZBWRUUDAYMQHBY-HNNXBMFYSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)[C@@H](C)c2ccccc2OC)c1[O-] ZINC001138628626 1046247212 /nfs/dbraw/zinc/24/72/12/1046247212.db2.gz ZBWRUUDAYMQHBY-HNNXBMFYSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c1[O-] ZINC001138630071 1046248869 /nfs/dbraw/zinc/24/88/69/1046248869.db2.gz PWPKUPRRGNIFNF-LJQANCHMSA-N 0 3 308.425 4.161 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c1[O-] ZINC001138630071 1046248877 /nfs/dbraw/zinc/24/88/77/1046248877.db2.gz PWPKUPRRGNIFNF-LJQANCHMSA-N 0 3 308.425 4.161 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903335944 1046249323 /nfs/dbraw/zinc/24/93/23/1046249323.db2.gz VGSJVPFLDHGPIL-AZUAARDMSA-N 0 3 303.409 4.072 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3cccc(OC)c3)C2)c1[O-] ZINC001138630096 1046249751 /nfs/dbraw/zinc/24/97/51/1046249751.db2.gz QUBDGPVVIIVVDJ-GOSISDBHSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3)C2)c1[O-] ZINC001138630096 1046249762 /nfs/dbraw/zinc/24/97/62/1046249762.db2.gz QUBDGPVVIIVVDJ-GOSISDBHSA-N 0 3 323.436 4.119 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1C ZINC000897417262 1046251338 /nfs/dbraw/zinc/25/13/38/1046251338.db2.gz HAQPWKPXNMFPEX-JKSUJKDBSA-N 0 3 324.424 4.145 20 30 DIEDHN Cc1c([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829693 1046379221 /nfs/dbraw/zinc/37/92/21/1046379221.db2.gz DYPFOTFFLNEIDD-ZIAGYGMSSA-N 0 3 309.369 4.187 20 30 DIEDHN COc1ccc(-c2ccccc2)cc1CN1CCC[C@H](C#N)CC1 ZINC001139070637 1046380332 /nfs/dbraw/zinc/38/03/32/1046380332.db2.gz PWPKDCOPZZQTEO-KRWDZBQOSA-N 0 3 320.436 4.488 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001254642186 1046433838 /nfs/dbraw/zinc/43/38/38/1046433838.db2.gz FFBQJLVQISGQSQ-ZANVPECISA-N 0 3 302.727 4.141 20 30 DIEDHN C=C(C)CN(CC)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139367072 1046438836 /nfs/dbraw/zinc/43/88/36/1046438836.db2.gz HLSZYJGCWVGIKK-UHFFFAOYSA-N 0 3 309.866 4.044 20 30 DIEDHN N#CC(C(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000041536209 1046452448 /nfs/dbraw/zinc/45/24/48/1046452448.db2.gz PZYQJWDZXAOTLQ-HNNXBMFYSA-N 0 3 322.364 4.439 20 30 DIEDHN CCCCCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000124184232 1046454444 /nfs/dbraw/zinc/45/44/44/1046454444.db2.gz WNAQNFXRRROTQJ-UHFFFAOYSA-N 0 3 320.477 4.063 20 30 DIEDHN Cc1cccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)c1C ZINC001139531250 1046465013 /nfs/dbraw/zinc/46/50/13/1046465013.db2.gz SJTRWYAGCGUYOB-UHFFFAOYSA-N 0 3 308.400 4.479 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1[O-] ZINC000826911133 1046494878 /nfs/dbraw/zinc/49/48/78/1046494878.db2.gz SXYQSLJEBISIHD-UHFFFAOYSA-N 0 3 314.816 4.251 20 30 DIEDHN N#Cc1cccc2c(CN3CCC4(CC[C@H](F)C4)CC3)c[nH]c21 ZINC001139706287 1046501043 /nfs/dbraw/zinc/50/10/43/1046501043.db2.gz PVXQRSYKQAFCFT-INIZCTEOSA-N 0 3 311.404 4.144 20 30 DIEDHN N#Cc1cccc2c(CN3CCC4(CC(F)(F)C4)CC3)c[nH]c21 ZINC001139702730 1046502192 /nfs/dbraw/zinc/50/21/92/1046502192.db2.gz GFSZIVLZXJUGDH-UHFFFAOYSA-N 0 3 315.367 4.051 20 30 DIEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(C)c(C#N)c2)cc1 ZINC001139724649 1046505595 /nfs/dbraw/zinc/50/55/95/1046505595.db2.gz YQVBUNXLTPFKRO-FQEVSTJZSA-N 0 3 306.409 4.212 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001139879242 1046539292 /nfs/dbraw/zinc/53/92/92/1046539292.db2.gz HRVYPIAQFVBVDI-IBGZPJMESA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccccc1-n1ccnc1C ZINC001140025961 1046571600 /nfs/dbraw/zinc/57/16/00/1046571600.db2.gz HCRQBXLPWAOSAK-UHFFFAOYSA-N 0 3 317.436 4.369 20 30 DIEDHN C=CCOc1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000678212575 1046587097 /nfs/dbraw/zinc/58/70/97/1046587097.db2.gz JKRJZJHLCAYIQW-FQEVSTJZSA-N 0 3 309.409 4.294 20 30 DIEDHN C[C@H]1c2ccccc2CCN1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110295 1046590965 /nfs/dbraw/zinc/59/09/65/1046590965.db2.gz IMKARARIKWUEPH-AWEZNQCLSA-N 0 3 301.393 4.159 20 30 DIEDHN C=CCC[C@@H](NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000643321473 1046659466 /nfs/dbraw/zinc/65/94/66/1046659466.db2.gz QRWPTUAHFWOTSX-GOSISDBHSA-N 0 3 309.457 4.096 20 30 DIEDHN N#Cc1ccc(CNCCOc2cccc3ccccc32)c(F)c1 ZINC000533311581 1046691110 /nfs/dbraw/zinc/69/11/10/1046691110.db2.gz XMMJJNQHGDSMBR-UHFFFAOYSA-N 0 3 320.367 4.019 20 30 DIEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741931 1046693153 /nfs/dbraw/zinc/69/31/53/1046693153.db2.gz HEDTUOUTJCDBDE-DLBZAZTESA-N 0 3 308.425 4.113 20 30 DIEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747903 1046693292 /nfs/dbraw/zinc/69/32/92/1046693292.db2.gz FLYFUXJFOZTHNW-KDOFPFPSSA-N 0 3 315.388 4.206 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744294 1046693585 /nfs/dbraw/zinc/69/35/85/1046693585.db2.gz KKYKKKJJZUXIPY-IAGOWNOFSA-N 0 3 308.425 4.113 20 30 DIEDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000834904472 1046714382 /nfs/dbraw/zinc/71/43/82/1046714382.db2.gz YNTXNCRFTZVGCK-AWEZNQCLSA-N 0 3 311.404 4.004 20 30 DIEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000533425098 1046720132 /nfs/dbraw/zinc/72/01/32/1046720132.db2.gz MMZZIPIDLRQUPB-QGZVFWFLSA-N 0 3 302.462 4.309 20 30 DIEDHN C=CCC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000796723184 1046722369 /nfs/dbraw/zinc/72/23/69/1046722369.db2.gz KMXUEXZBWKJMRI-GOSISDBHSA-N 0 3 310.441 4.459 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1nc2ccccc2[nH]1 ZINC000796738314 1046724498 /nfs/dbraw/zinc/72/44/98/1046724498.db2.gz IWEHZEYGNMWZTC-QKPAOTATSA-N 0 3 321.424 4.346 20 30 DIEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846569 1046745549 /nfs/dbraw/zinc/74/55/49/1046745549.db2.gz OBXQHKRNHMDBJX-CVEARBPZSA-N 0 3 323.795 4.403 20 30 DIEDHN N#CC(C(=O)C1=C(c2ccccc2)CCCC1)c1ccccn1 ZINC000835059522 1046751012 /nfs/dbraw/zinc/75/10/12/1046751012.db2.gz BKYMFBKLWVRZMV-SFHVURJKSA-N 0 3 302.377 4.286 20 30 DIEDHN CC(C)CCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000835061918 1046754403 /nfs/dbraw/zinc/75/44/03/1046754403.db2.gz LJJREZCGQKAZIX-KRWDZBQOSA-N 0 3 322.408 4.313 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC=C)cc2)cc1 ZINC000797005515 1046771459 /nfs/dbraw/zinc/77/14/59/1046771459.db2.gz BZXOECZDQLRFMG-KRWDZBQOSA-N 0 3 321.420 4.114 20 30 DIEDHN CCS[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797570134 1046852326 /nfs/dbraw/zinc/85/23/26/1046852326.db2.gz DDPNNNLVHMOHPO-BXUZGUMPSA-N 0 3 324.515 4.395 20 30 DIEDHN C=CCOCCN[C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000679576609 1046872514 /nfs/dbraw/zinc/87/25/14/1046872514.db2.gz PZBFOGNUKLHDOS-CYBMUJFWSA-N 0 3 321.367 4.294 20 30 DIEDHN C=CCOCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000679576524 1046873766 /nfs/dbraw/zinc/87/37/66/1046873766.db2.gz OWUXPEPTFYYEND-KRWDZBQOSA-N 0 3 301.430 4.005 20 30 DIEDHN CC(C)CN(Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140750939 1046884015 /nfs/dbraw/zinc/88/40/15/1046884015.db2.gz DDOHDDXJDZYHSP-UHFFFAOYSA-N 0 3 314.379 4.495 20 30 DIEDHN CC[C@@H](c1ccccc1)N(C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755298 1046887301 /nfs/dbraw/zinc/88/73/01/1046887301.db2.gz ZAQISSAJLWQMAX-SFHVURJKSA-N 0 3 300.352 4.420 20 30 DIEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000679674698 1046893132 /nfs/dbraw/zinc/89/31/32/1046893132.db2.gz SCWZOTZZXKIQHX-INIZCTEOSA-N 0 3 312.240 4.020 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000797878226 1046899862 /nfs/dbraw/zinc/89/98/62/1046899862.db2.gz QANZVXXDXNYESQ-RXVVDRJESA-N 0 3 323.436 4.130 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000797878224 1046900616 /nfs/dbraw/zinc/90/06/16/1046900616.db2.gz QANZVXXDXNYESQ-GHTZIAJQSA-N 0 3 323.436 4.130 20 30 DIEDHN CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000303333308 1046910825 /nfs/dbraw/zinc/91/08/25/1046910825.db2.gz BYACWFGAWPYRJW-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN SC1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941674 1046955099 /nfs/dbraw/zinc/95/50/99/1046955099.db2.gz QYPUJBCLDRSQMT-UHFFFAOYSA-N 0 3 306.862 4.025 20 30 DIEDHN N#CC(C(=O)CCCC1CCOCC1)c1nccc2ccccc21 ZINC000798861218 1046978721 /nfs/dbraw/zinc/97/87/21/1046978721.db2.gz ZDENJYNIESSCQY-SFHVURJKSA-N 0 3 322.408 4.008 20 30 DIEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1ccc(Cl)s1 ZINC000037284530 1046981338 /nfs/dbraw/zinc/98/13/38/1046981338.db2.gz DVXAHPQVTDGZOO-LLVKDONJSA-N 0 3 306.818 4.155 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141208807 1047046722 /nfs/dbraw/zinc/04/67/22/1047046722.db2.gz LDAYTBQQAVMVTA-OAHLLOKOSA-N 0 3 309.388 4.013 20 30 DIEDHN N#C[C@H]1CCCN(Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141208805 1047047485 /nfs/dbraw/zinc/04/74/85/1047047485.db2.gz LDAYTBQQAVMVTA-HNNXBMFYSA-N 0 3 309.388 4.013 20 30 DIEDHN CC(C)(CC#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000839163797 1047200417 /nfs/dbraw/zinc/20/04/17/1047200417.db2.gz QBSDHVHROPDBQK-UHFFFAOYSA-N 0 3 324.424 4.001 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000897628898 1047252010 /nfs/dbraw/zinc/25/20/10/1047252010.db2.gz OQLJREUTMNBUNY-UKRRQHHQSA-N 0 3 317.845 4.094 20 30 DIEDHN C[C@H](NCCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC001118558218 1047301990 /nfs/dbraw/zinc/30/19/90/1047301990.db2.gz NHNZAPWOYSHLRH-ZDUSSCGKSA-N 0 3 313.470 4.206 20 30 DIEDHN N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725845947 1047319537 /nfs/dbraw/zinc/31/95/37/1047319537.db2.gz RCKGJPCNEQOQGJ-UHFFFAOYSA-N 0 3 314.388 4.221 20 30 DIEDHN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(C#Cc2ccccc2)s1 ZINC001141977956 1047326306 /nfs/dbraw/zinc/32/63/06/1047326306.db2.gz USQYYIWYKFRZPR-BXWFABGCSA-N 0 3 311.425 4.080 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000898325623 1047338037 /nfs/dbraw/zinc/33/80/37/1047338037.db2.gz QBEUOZKHTDYUGE-HXUWFJFHSA-N 0 3 321.424 4.005 20 30 DIEDHN CCC[C@@H](C)N1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726429167 1047349425 /nfs/dbraw/zinc/34/94/25/1047349425.db2.gz KBDZKKGDBPDIGB-CQSZACIVSA-N 0 3 324.424 4.353 20 30 DIEDHN CC(C)[C@@H](C)N1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726428836 1047350326 /nfs/dbraw/zinc/35/03/26/1047350326.db2.gz HDEIOKYQEAMKMS-CQSZACIVSA-N 0 3 324.424 4.209 20 30 DIEDHN C=CCC[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccco1 ZINC000796794547 1047393423 /nfs/dbraw/zinc/39/34/23/1047393423.db2.gz URPKXZNARUBGAJ-CQSZACIVSA-N 0 3 322.449 4.180 20 30 DIEDHN CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841760231 1047453662 /nfs/dbraw/zinc/45/36/62/1047453662.db2.gz DFSMJQSZROVLOM-OALUTQOASA-N 0 3 306.409 4.382 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2nc(Cl)ccc21 ZINC000841763402 1047454638 /nfs/dbraw/zinc/45/46/38/1047454638.db2.gz XDOLNWKIKUCPRC-IAGOWNOFSA-N 0 3 323.827 4.261 20 30 DIEDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000841761025 1047455777 /nfs/dbraw/zinc/45/57/77/1047455777.db2.gz HVOOAVALKBIHKY-AUUYWEPGSA-N 0 3 306.409 4.301 20 30 DIEDHN C#CCCOc1ccc(CNC2(c3ccccc3C)CC2)cc1 ZINC000842731940 1047500990 /nfs/dbraw/zinc/50/09/90/1047500990.db2.gz FTYGWLVEGGAUTD-UHFFFAOYSA-N 0 3 305.421 4.176 20 30 DIEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc(Cl)cc1 ZINC001142921689 1047514547 /nfs/dbraw/zinc/51/45/47/1047514547.db2.gz SPNIFHSASURAPW-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN N#Cc1ccc2c(CN3CCSc4ccccc4C3)c[nH]c2c1 ZINC001142925760 1047514947 /nfs/dbraw/zinc/51/49/47/1047514947.db2.gz CBDRZXLRXVDUSZ-UHFFFAOYSA-N 0 3 319.433 4.147 20 30 DIEDHN N#Cc1ccc2c(CN3C[C@@H]4C[C@H](C3)c3ccccc34)c[nH]c2c1 ZINC001142926064 1047515802 /nfs/dbraw/zinc/51/58/02/1047515802.db2.gz IXWGMYPPAPJXPH-IYBDPMFKSA-N 0 3 313.404 4.126 20 30 DIEDHN C=CCC[C@H](O)CN(Cc1cccs1)Cc1cccs1 ZINC000121370302 1047519887 /nfs/dbraw/zinc/51/98/87/1047519887.db2.gz IHRVOQPVNYRZNK-AWEZNQCLSA-N 0 3 307.484 4.139 20 30 DIEDHN C=CCN(Cc1cc(-c2ccccc2)nn1C)C1CCCCC1 ZINC001143017012 1047524955 /nfs/dbraw/zinc/52/49/55/1047524955.db2.gz JDVUTEDUYFBDLF-UHFFFAOYSA-N 0 3 309.457 4.408 20 30 DIEDHN CC(C)(C)c1cccc(CN2CCc3ccc(C#N)cc3C2)c1O ZINC001143103444 1047530805 /nfs/dbraw/zinc/53/08/05/1047530805.db2.gz DQFODSCMCMAOHI-UHFFFAOYSA-N 0 3 320.436 4.120 20 30 DIEDHN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000926899104 1047572213 /nfs/dbraw/zinc/57/22/13/1047572213.db2.gz USLVEXDBQIFTKG-HUUCEWRRSA-N 0 3 312.388 4.448 20 30 DIEDHN COc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000537721297 1047635592 /nfs/dbraw/zinc/63/55/92/1047635592.db2.gz ZYLPLYWMFBOLBX-UHFFFAOYSA-N 0 3 318.420 4.165 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2cc[nH]c21 ZINC000538728227 1047702004 /nfs/dbraw/zinc/70/20/04/1047702004.db2.gz GHVFFOPLEYKSGH-VQTJNVASSA-N 0 3 315.420 4.440 20 30 DIEDHN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000128057746 1047716288 /nfs/dbraw/zinc/71/62/88/1047716288.db2.gz TZRQEMNSYGVGDS-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297494 1047744977 /nfs/dbraw/zinc/74/49/77/1047744977.db2.gz FANLRDNYTCSRHI-VHSXEESVSA-N 0 3 322.663 4.482 20 30 DIEDHN N#CC(C(=O)c1cc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000041496220 1047747205 /nfs/dbraw/zinc/74/72/05/1047747205.db2.gz JYBKXMQHEIHNKS-LBPRGKRZSA-N 0 3 317.373 4.268 20 30 DIEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2s1 ZINC000041503533 1047749135 /nfs/dbraw/zinc/74/91/35/1047749135.db2.gz HJUNWYRGLIKXLU-OAHLLOKOSA-N 0 3 318.401 4.275 20 30 DIEDHN CCCCCN(CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000478963272 1047829141 /nfs/dbraw/zinc/82/91/41/1047829141.db2.gz ORMLPBXEULSGNI-UHFFFAOYSA-N 0 3 321.490 4.076 20 30 DIEDHN CCCCCCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001174573845 1047890880 /nfs/dbraw/zinc/89/08/80/1047890880.db2.gz GTOHRHKUMNQRJD-HXUWFJFHSA-N 0 3 315.457 4.457 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cnc(Br)cn1 ZINC001183346293 1047922105 /nfs/dbraw/zinc/92/21/05/1047922105.db2.gz VZIYAMYJMSEPPI-LBPRGKRZSA-N 0 3 314.271 4.078 20 30 DIEDHN Cc1cc(Nc2sc(Cc3ccccc3)cc2C#N)ccn1 ZINC001174651448 1047936221 /nfs/dbraw/zinc/93/62/21/1047936221.db2.gz JJEMQIONVYVDCP-UHFFFAOYSA-N 0 3 305.406 4.080 20 30 DIEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775833828 1047940103 /nfs/dbraw/zinc/94/01/03/1047940103.db2.gz MVYMZMGCTXKVMT-OAHLLOKOSA-N 0 3 312.844 4.108 20 30 DIEDHN C=CCC[C@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001198414522 1047953821 /nfs/dbraw/zinc/95/38/21/1047953821.db2.gz VFQYOEWVMALXOY-ZDUSSCGKSA-N 0 3 323.396 4.012 20 30 DIEDHN C=CCC[C@H]1CCC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001198414522 1047953825 /nfs/dbraw/zinc/95/38/25/1047953825.db2.gz VFQYOEWVMALXOY-ZDUSSCGKSA-N 0 3 323.396 4.012 20 30 DIEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cnn(CC2CCC2)c1 ZINC001198551559 1047977614 /nfs/dbraw/zinc/97/76/14/1047977614.db2.gz FHWXFXFAFIHLCQ-MRXNPFEDSA-N 0 3 314.477 4.198 20 30 DIEDHN CC[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000774845683 1048154254 /nfs/dbraw/zinc/15/42/54/1048154254.db2.gz CXEMRVJYIRYWFP-QGZVFWFLSA-N 0 3 314.816 4.483 20 30 DIEDHN C[C@@H]1CCCCN1Cc1ccc(N[C@H](C#N)c2ccccc2)nc1 ZINC001161718303 1048158418 /nfs/dbraw/zinc/15/84/18/1048158418.db2.gz UIKGCQHZFWNEHX-VQIMIIECSA-N 0 3 320.440 4.133 20 30 DIEDHN CCN(CC)Cc1cccc(N[C@H](C#N)c2ccccc2)c1F ZINC001161726173 1048162126 /nfs/dbraw/zinc/16/21/26/1048162126.db2.gz WFADBGDVHXQHJB-GOSISDBHSA-N 0 3 311.404 4.344 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NC1(c3ccc(Cl)cc3)CC1)CC2 ZINC000555000563 1048250464 /nfs/dbraw/zinc/25/04/64/1048250464.db2.gz RNDBGRVVDDVSSR-SFHVURJKSA-N 0 3 308.812 4.478 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000776165810 1048261900 /nfs/dbraw/zinc/26/19/00/1048261900.db2.gz WYFGOOFFYKNZJJ-KXBFYZLASA-N 0 3 319.408 4.090 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000776165806 1048262154 /nfs/dbraw/zinc/26/21/54/1048262154.db2.gz WYFGOOFFYKNZJJ-BEFAXECRSA-N 0 3 319.408 4.090 20 30 DIEDHN CCN1CCCC[C@@H]1c1ccc(N[C@](C)(C#N)CC(C)C)nc1 ZINC001162520295 1048294980 /nfs/dbraw/zinc/29/49/80/1048294980.db2.gz WMWGNZYNOJAYLP-MJGOQNOKSA-N 0 3 314.477 4.369 20 30 DIEDHN Cc1nc(S[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001186756577 1048341568 /nfs/dbraw/zinc/34/15/68/1048341568.db2.gz CQYHPVHXHHGDGI-GOSISDBHSA-N 0 3 323.465 4.018 20 30 DIEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1Cl ZINC001175506166 1048343123 /nfs/dbraw/zinc/34/31/23/1048343123.db2.gz XAEXVRCRCMHZOV-UHFFFAOYSA-N 0 3 323.827 4.413 20 30 DIEDHN Cc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1C#N ZINC001175507474 1048345261 /nfs/dbraw/zinc/34/52/61/1048345261.db2.gz WMYFQUGHLMBEDK-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN CCCCCCCCN1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001201814587 1048376309 /nfs/dbraw/zinc/37/63/09/1048376309.db2.gz QDTMZOUSROEMPV-SFHVURJKSA-N 0 3 321.509 4.199 20 30 DIEDHN CCCCCCCCN1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001201815154 1048376365 /nfs/dbraw/zinc/37/63/65/1048376365.db2.gz XUULIKFSVZARRK-GOSISDBHSA-N 0 3 321.509 4.199 20 30 DIEDHN CCCCCCCN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001201787791 1048379424 /nfs/dbraw/zinc/37/94/24/1048379424.db2.gz MIFLTNQPOBFQSD-GFCCVEGCSA-N 0 3 319.371 4.238 20 30 DIEDHN CCCCCCCCCCN1Cc2cn(C)nc2[C@H](COC)C1 ZINC001201852923 1048380643 /nfs/dbraw/zinc/38/06/43/1048380643.db2.gz SGWPNLGRIPOHOZ-SFHVURJKSA-N 0 3 321.509 4.106 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000555709352 1048425068 /nfs/dbraw/zinc/42/50/68/1048425068.db2.gz XRMDYEJLIMITCU-QGZVFWFLSA-N 0 3 312.457 4.246 20 30 DIEDHN CC(C)[C@@H](C#N)c1ccc(N[C@H]2CNCc3ccsc32)cc1 ZINC001163228608 1048441216 /nfs/dbraw/zinc/44/12/16/1048441216.db2.gz LPCBJAWILJIVPH-SJORKVTESA-N 0 3 311.454 4.268 20 30 DIEDHN N#CCc1cc2ccccc2c(N[C@H]2CNCc3ccsc32)c1 ZINC001163237966 1048442303 /nfs/dbraw/zinc/44/23/03/1048442303.db2.gz KHKOXSUONLMKEI-SFHVURJKSA-N 0 3 319.433 4.224 20 30 DIEDHN CC(C)(CNC[C@H](C#N)CCC#N)c1ccc2ccccc2c1 ZINC000600617508 1048505925 /nfs/dbraw/zinc/50/59/25/1048505925.db2.gz KHPBPVKRDNVIBR-INIZCTEOSA-N 0 3 305.425 4.151 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(Cl)c3cccnc23)cc1 ZINC001202475013 1048597131 /nfs/dbraw/zinc/59/71/31/1048597131.db2.gz NJFWTOFVCFTTQG-UHFFFAOYSA-N 0 3 306.796 4.159 20 30 DIEDHN CC[C@@H](NCc1cc(C#N)ccn1)c1cccc2ccccc21 ZINC001176219460 1048607184 /nfs/dbraw/zinc/60/71/84/1048607184.db2.gz YIPDTIBHIKUADD-HXUWFJFHSA-N 0 3 301.393 4.347 20 30 DIEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2C(C)C)sc1C ZINC000160112874 1048638403 /nfs/dbraw/zinc/63/84/03/1048638403.db2.gz UDJMFFDETOQZGA-CQSZACIVSA-N 0 3 313.426 4.129 20 30 DIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000160153247 1048640732 /nfs/dbraw/zinc/64/07/32/1048640732.db2.gz GJQGIMCJEKAUPV-CQSZACIVSA-N 0 3 321.405 4.159 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447791 1048660794 /nfs/dbraw/zinc/66/07/94/1048660794.db2.gz JTZJPWNEFHJGSO-OXJNMPFZSA-N 0 3 305.421 4.427 20 30 DIEDHN CCN(Cc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001205496670 1048702033 /nfs/dbraw/zinc/70/20/33/1048702033.db2.gz KPATXAZBFJMLGA-UHFFFAOYSA-N 0 3 302.780 4.373 20 30 DIEDHN N#CC(C(=O)C1CC2(C1)CCCCC2)c1nc2ccccc2[nH]1 ZINC000850738566 1048704082 /nfs/dbraw/zinc/70/40/82/1048704082.db2.gz NNYBYAFSKAYXDZ-AWEZNQCLSA-N 0 3 307.397 4.100 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)c1ccc2ccccc2n1 ZINC000850741237 1048704610 /nfs/dbraw/zinc/70/46/10/1048704610.db2.gz HNJBUDRTKOYEFG-HZPDHXFCSA-N 0 3 304.393 4.381 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)c1ccc2ccccc2n1 ZINC000850741232 1048705086 /nfs/dbraw/zinc/70/50/86/1048705086.db2.gz HNJBUDRTKOYEFG-CVEARBPZSA-N 0 3 304.393 4.381 20 30 DIEDHN CC(C)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396257 1048754385 /nfs/dbraw/zinc/75/43/85/1048754385.db2.gz VIBIVTSSNCPXJM-AZUAARDMSA-N 0 3 305.425 4.318 20 30 DIEDHN C#CC[C@@H](NCc1cc(C)nc2ccccc12)c1ccccc1 ZINC000775400009 1048765197 /nfs/dbraw/zinc/76/51/97/1048765197.db2.gz LGQHDGYDSYPLRE-HXUWFJFHSA-N 0 3 300.405 4.397 20 30 DIEDHN COC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000483262464 1048767096 /nfs/dbraw/zinc/76/70/96/1048767096.db2.gz AQVUIKXPCIZSTC-OALUTQOASA-N 0 3 312.457 4.107 20 30 DIEDHN CC(C)c1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000483293354 1048769561 /nfs/dbraw/zinc/76/95/61/1048769561.db2.gz VFBYUMNDPIVTBU-HXUWFJFHSA-N 0 3 307.441 4.357 20 30 DIEDHN N#Cc1ccc(Br)c(CN(CC2CC2)C2CCC2)c1 ZINC000483316956 1048776209 /nfs/dbraw/zinc/77/62/09/1048776209.db2.gz WFRQMMNSOIOQCE-UHFFFAOYSA-N 0 3 319.246 4.085 20 30 DIEDHN CCC[C@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC001176782716 1048787138 /nfs/dbraw/zinc/78/71/38/1048787138.db2.gz MVRDAOWWHRHKTR-AWEZNQCLSA-N 0 3 307.235 4.085 20 30 DIEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000483403179 1048788662 /nfs/dbraw/zinc/78/86/62/1048788662.db2.gz HPLCHYOSHPXKET-LJQANCHMSA-N 0 3 312.363 4.000 20 30 DIEDHN C[C@@H]1CCC[C@@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864224 1048796815 /nfs/dbraw/zinc/79/68/15/1048796815.db2.gz FJHFTFSRFZGTHV-ZIAGYGMSSA-N 0 3 311.347 4.200 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000038003369 1048814353 /nfs/dbraw/zinc/81/43/53/1048814353.db2.gz ZMUJIPWOBYYADI-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN CCc1ccc2c(c1)CCN(Cc1c(C)cc(C#N)cc1C)C2 ZINC001177008653 1048815378 /nfs/dbraw/zinc/81/53/78/1048815378.db2.gz MYDJFUCMAHXBDO-UHFFFAOYSA-N 0 3 304.437 4.296 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651224 1048829107 /nfs/dbraw/zinc/82/91/07/1048829107.db2.gz JONFQSKMWNASFL-FPMFFAJLSA-N 0 3 317.408 4.435 20 30 DIEDHN C=CC[C@H]1CCCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412221 1048838875 /nfs/dbraw/zinc/83/88/75/1048838875.db2.gz ZQDSMMGTKWDAKO-CVEARBPZSA-N 0 3 311.429 4.394 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OC(C)C)cc1 ZINC001177213800 1048845333 /nfs/dbraw/zinc/84/53/33/1048845333.db2.gz KKLZRNRQCDGFLJ-UHFFFAOYSA-N 0 3 308.425 4.252 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852782536 1048860979 /nfs/dbraw/zinc/86/09/79/1048860979.db2.gz VBODYHSTPUIBMR-HNNXBMFYSA-N 0 3 306.409 4.043 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658039 1048876370 /nfs/dbraw/zinc/87/63/70/1048876370.db2.gz FJPPYGZYQVFPMA-CQSZACIVSA-N 0 3 323.827 4.457 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000483979709 1048889296 /nfs/dbraw/zinc/88/92/96/1048889296.db2.gz MBKIWONTHCRNAA-MRXNPFEDSA-N 0 3 314.791 4.340 20 30 DIEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241328 1048891842 /nfs/dbraw/zinc/89/18/42/1048891842.db2.gz LDKGDHXJBGBUSV-VLIAUNLRSA-N 0 3 318.420 4.221 20 30 DIEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241329 1048891991 /nfs/dbraw/zinc/89/19/91/1048891991.db2.gz LDKGDHXJBGBUSV-XOBRGWDASA-N 0 3 318.420 4.221 20 30 DIEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC001191342122 1048920690 /nfs/dbraw/zinc/92/06/90/1048920690.db2.gz OVIRXKVTRVKEAZ-HNNXBMFYSA-N 0 3 308.372 4.170 20 30 DIEDHN C[C@]1(CCc2ccccc2)CCN(Cc2ccc(C#N)s2)C1 ZINC001191445807 1048946202 /nfs/dbraw/zinc/94/62/02/1048946202.db2.gz WWMGAOFDXTWXSY-IBGZPJMESA-N 0 3 310.466 4.465 20 30 DIEDHN CC(C)(CCC#N)CNc1nc2cccc(Br)c2[nH]1 ZINC001203645202 1048946193 /nfs/dbraw/zinc/94/61/93/1048946193.db2.gz KTDUNKSCKPUASG-UHFFFAOYSA-N 0 3 321.222 4.067 20 30 DIEDHN CCCCCCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC001191539876 1048960572 /nfs/dbraw/zinc/96/05/72/1048960572.db2.gz HZMMEOIQZUCWAI-UHFFFAOYSA-N 0 3 303.494 4.263 20 30 DIEDHN N#CCC[C@@H](NCc1cccc2ncccc12)c1ccccc1 ZINC001178244425 1049002001 /nfs/dbraw/zinc/00/20/01/1049002001.db2.gz PFJPVTOBDFLRHX-LJQANCHMSA-N 0 3 301.393 4.369 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCCc1sccc1C ZINC001178321243 1049020901 /nfs/dbraw/zinc/02/09/01/1049020901.db2.gz ACZQYXAZGWZTJX-UHFFFAOYSA-N 0 3 319.857 4.054 20 30 DIEDHN N#Cc1ccc(CC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001203916734 1049030387 /nfs/dbraw/zinc/03/03/87/1049030387.db2.gz RJVFGKTWUABRNP-UHFFFAOYSA-N 0 3 308.400 4.152 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2ncsc2c1 ZINC000776817064 1049044431 /nfs/dbraw/zinc/04/44/31/1049044431.db2.gz YBTOHRVSZWKZBS-CYBMUJFWSA-N 0 3 323.421 4.049 20 30 DIEDHN CSCc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC001178518834 1049050358 /nfs/dbraw/zinc/05/03/58/1049050358.db2.gz BGMJJKJZTIHULC-UHFFFAOYSA-N 0 3 310.466 4.328 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C[C@H]1C1CCCC1 ZINC001204088816 1049082176 /nfs/dbraw/zinc/08/21/76/1049082176.db2.gz HNGXKRYQMLNXRZ-CVEARBPZSA-N 0 3 317.860 4.268 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OCC=C)c(Cl)c2)cc1 ZINC001178758609 1049082831 /nfs/dbraw/zinc/08/28/31/1049082831.db2.gz BGIZOCSLQGFPGX-UHFFFAOYSA-N 0 3 311.812 4.176 20 30 DIEDHN C=CCC(C)(C)CNCc1c(F)cccc1OC(F)(F)F ZINC001178794966 1049089207 /nfs/dbraw/zinc/08/92/07/1049089207.db2.gz FPYJVHBWWKYCFO-UHFFFAOYSA-N 0 3 305.315 4.416 20 30 DIEDHN CN(C)c1ccc(C#N)cc1CNCc1cc2ccccc2s1 ZINC001178796164 1049090089 /nfs/dbraw/zinc/09/00/89/1049090089.db2.gz UNKAGEXUQKSPFW-UHFFFAOYSA-N 0 3 321.449 4.129 20 30 DIEDHN C=CCCCCCN1CCN(c2nc3ccccc3s2)CC1 ZINC001192425593 1049096062 /nfs/dbraw/zinc/09/60/62/1049096062.db2.gz BCJSYJKNLBCISQ-UHFFFAOYSA-N 0 3 315.486 4.165 20 30 DIEDHN CC[C@H](C)CN(C)c1ccc(F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC001179003391 1049121369 /nfs/dbraw/zinc/12/13/69/1049121369.db2.gz ZYHVBOPXYHAMAK-RLFYNMQTSA-N 0 3 317.452 4.090 20 30 DIEDHN C#Cc1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001179054167 1049123922 /nfs/dbraw/zinc/12/39/22/1049123922.db2.gz QXTJLQFREHUXKA-UHFFFAOYSA-N 0 3 315.338 4.466 20 30 DIEDHN C=CCOc1ccc(CN2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001204300088 1049134281 /nfs/dbraw/zinc/13/42/81/1049134281.db2.gz JEAOSCQIZLTABZ-NRFANRHFSA-N 0 3 323.436 4.043 20 30 DIEDHN CCCCCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001204316868 1049140602 /nfs/dbraw/zinc/14/06/02/1049140602.db2.gz WMDFWGNQVJIOLJ-QGZVFWFLSA-N 0 3 300.446 4.381 20 30 DIEDHN N#Cc1ccccc1CN1CCC[C@H](CCc2ccccc2)C1 ZINC001204374806 1049152696 /nfs/dbraw/zinc/15/26/96/1049152696.db2.gz HWTUIEVHSWORAX-LJQANCHMSA-N 0 3 304.437 4.403 20 30 DIEDHN CCCCCCCOc1ccc(CN2CCCOCC2)cc1 ZINC001204367945 1049152819 /nfs/dbraw/zinc/15/28/19/1049152819.db2.gz BPWRIQSQWHRXCH-UHFFFAOYSA-N 0 3 305.462 4.258 20 30 DIEDHN C=CCN(Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C(C)C ZINC001204442406 1049164117 /nfs/dbraw/zinc/16/41/17/1049164117.db2.gz XZGPGOIASHJDAJ-UHFFFAOYSA-N 0 3 313.397 4.130 20 30 DIEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cc(Cl)sc1Cl)C2 ZINC001179419461 1049167838 /nfs/dbraw/zinc/16/78/38/1049167838.db2.gz MPRHTWKABTXSRJ-ZDUSSCGKSA-N 0 3 323.248 4.184 20 30 DIEDHN Cc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1C#N ZINC001179562558 1049177093 /nfs/dbraw/zinc/17/70/93/1049177093.db2.gz FNTBUBCQYCZPEH-UHFFFAOYSA-N 0 3 320.436 4.478 20 30 DIEDHN C=C(C)c1ccccc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204565439 1049189507 /nfs/dbraw/zinc/18/95/07/1049189507.db2.gz ZPWXOCUOOPSPJS-UHFFFAOYSA-N 0 3 321.468 4.211 20 30 DIEDHN COc1cc(CN2CCC(CCC(C)C)CC2)ccc1C#N ZINC001204640811 1049209027 /nfs/dbraw/zinc/20/90/27/1049209027.db2.gz VFBGWYCRKPFDBW-UHFFFAOYSA-N 0 3 300.446 4.215 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000858137147 1049221040 /nfs/dbraw/zinc/22/10/40/1049221040.db2.gz HLFRIDSMYCYTQI-SFHVURJKSA-N 0 3 319.408 4.139 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000858137146 1049221701 /nfs/dbraw/zinc/22/17/01/1049221701.db2.gz HLFRIDSMYCYTQI-GOSISDBHSA-N 0 3 319.408 4.139 20 30 DIEDHN C=C(C)[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573922 1049224833 /nfs/dbraw/zinc/22/48/33/1049224833.db2.gz CLKFOAWYOGJNRA-JLSDUUJJSA-N 0 3 307.384 4.129 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573925 1049225752 /nfs/dbraw/zinc/22/57/52/1049225752.db2.gz CLKFOAWYOGJNRA-QGTPRVQTSA-N 0 3 307.384 4.129 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239913 1049229680 /nfs/dbraw/zinc/22/96/80/1049229680.db2.gz ZIBUMOZZEHTWQE-NRFANRHFSA-N 0 3 320.436 4.115 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858484466 1049263404 /nfs/dbraw/zinc/26/34/04/1049263404.db2.gz RZOBQAHDNCTAPO-HRAATJIYSA-N 0 3 320.436 4.286 20 30 DIEDHN CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000485818973 1049347670 /nfs/dbraw/zinc/34/76/70/1049347670.db2.gz SPEOHAFPPSSIAX-CQSZACIVSA-N 0 3 309.369 4.050 20 30 DIEDHN CC#CCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001205136747 1049389548 /nfs/dbraw/zinc/38/95/48/1049389548.db2.gz IMYZJIGJQDFXMI-UHFFFAOYSA-N 0 3 307.315 4.468 20 30 DIEDHN COc1cccc(C2=CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000486659537 1049446949 /nfs/dbraw/zinc/44/69/49/1049446949.db2.gz SUPUEBVFPMODHR-UHFFFAOYSA-N 0 3 318.420 4.165 20 30 DIEDHN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(C#N)c(C)c1)[C@H]2C ZINC001205353907 1049447469 /nfs/dbraw/zinc/44/74/69/1049447469.db2.gz PFZCBUCGFYPYJP-CVEARBPZSA-N 0 3 320.436 4.383 20 30 DIEDHN CCCCCCCCCOC(=O)NC1CCN(C2CC2)CC1 ZINC001194920293 1049449286 /nfs/dbraw/zinc/44/92/86/1049449286.db2.gz CCGQRJGLUDHJSB-UHFFFAOYSA-N 0 3 310.482 4.090 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492381 1049450810 /nfs/dbraw/zinc/45/08/10/1049450810.db2.gz LIHATYCFTPUULJ-CYBMUJFWSA-N 0 3 300.427 4.258 20 30 DIEDHN C[C@H](NCc1cc(C#N)cs1)c1cccc(OC(F)F)c1 ZINC000093492360 1049450959 /nfs/dbraw/zinc/45/09/59/1049450959.db2.gz STJVTTNNJQCZDF-JTQLQIEISA-N 0 3 308.353 4.072 20 30 DIEDHN C=CC[C@H]1N(Cc2cc(OC)c(OC)cc2F)CCCC1(C)C ZINC001181296698 1049460007 /nfs/dbraw/zinc/46/00/07/1049460007.db2.gz CBSPJGDJYMIDSD-GOSISDBHSA-N 0 3 321.436 4.410 20 30 DIEDHN CN(CCOCc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000486812881 1049476173 /nfs/dbraw/zinc/47/61/73/1049476173.db2.gz OOZQTTOSXSOFJQ-UHFFFAOYSA-N 0 3 322.452 4.136 20 30 DIEDHN CCCOc1ccc(C(C)(C)NCC#Cc2ccccc2)cc1 ZINC001205506606 1049487961 /nfs/dbraw/zinc/48/79/61/1049487961.db2.gz BXRXXOCLWNWGPP-UHFFFAOYSA-N 0 3 307.437 4.352 20 30 DIEDHN C#C[C@H](C)NCc1ccc(-c2ccccc2Br)cc1 ZINC001181647010 1049498343 /nfs/dbraw/zinc/49/83/43/1049498343.db2.gz SHKRKCIYBIWYAZ-ZDUSSCGKSA-N 0 3 314.226 4.227 20 30 DIEDHN N#Cc1ccccc1CSCCNCc1sccc1Cl ZINC000486976569 1049500539 /nfs/dbraw/zinc/50/05/39/1049500539.db2.gz ZFAGGAPHGXIUKV-UHFFFAOYSA-N 0 3 322.886 4.296 20 30 DIEDHN C=CCN(CCOC)C/C(C)=C/c1ccccc1C(F)(F)F ZINC001205660731 1049526299 /nfs/dbraw/zinc/52/62/99/1049526299.db2.gz PBIXWMCGOGOZMJ-WYMLVPIESA-N 0 3 313.363 4.243 20 30 DIEDHN C=CCN(CCOC)C/C(C)=C\c1ccccc1C(F)(F)F ZINC001205660730 1049526370 /nfs/dbraw/zinc/52/63/70/1049526370.db2.gz PBIXWMCGOGOZMJ-OWBHPGMISA-N 0 3 313.363 4.243 20 30 DIEDHN Cc1cscc1CNCc1cccc(OCCCC#N)c1 ZINC000487202877 1049528385 /nfs/dbraw/zinc/52/83/85/1049528385.db2.gz UUYCNKIYTHEJHF-UHFFFAOYSA-N 0 3 300.427 4.029 20 30 DIEDHN C#C[C@@H](N[C@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152109 1049577329 /nfs/dbraw/zinc/57/73/29/1049577329.db2.gz JAZLUZBJFNIUAH-AUUYWEPGSA-N 0 3 313.828 4.331 20 30 DIEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000487874939 1049580301 /nfs/dbraw/zinc/58/03/01/1049580301.db2.gz QCOXOXOSSWMJET-INIZCTEOSA-N 0 3 306.409 4.316 20 30 DIEDHN C=CC[C@H]1CCCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947176 1049598599 /nfs/dbraw/zinc/59/85/99/1049598599.db2.gz RBXXWFIGJXSFIL-CVEARBPZSA-N 0 3 311.429 4.394 20 30 DIEDHN CC(C)(NCc1ccc2ncccc2c1)c1cccc(C#N)c1 ZINC001196038594 1049608180 /nfs/dbraw/zinc/60/81/80/1049608180.db2.gz DKGPWINXGMAFGP-UHFFFAOYSA-N 0 3 301.393 4.131 20 30 DIEDHN Cc1cc(CNC(C)(C)c2ccc(F)c(F)c2)ccc1C#N ZINC000488175998 1049609403 /nfs/dbraw/zinc/60/94/03/1049609403.db2.gz ZOWRAIUPHTXTBT-UHFFFAOYSA-N 0 3 300.352 4.170 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774390834 1049657163 /nfs/dbraw/zinc/65/71/63/1049657163.db2.gz ILURAGKLGMVUQX-JTQLQIEISA-N 0 3 320.223 4.298 20 30 DIEDHN COc1ccc(CN(CC#Cc2ccccc2)C(C)(C)C)cc1 ZINC001206122154 1049660203 /nfs/dbraw/zinc/66/02/03/1049660203.db2.gz PQOZRVZYLDFVEJ-UHFFFAOYSA-N 0 3 307.437 4.347 20 30 DIEDHN C=CCn1cc(CNC2CCCCCCCCCCC2)nn1 ZINC001182470374 1049673859 /nfs/dbraw/zinc/67/38/59/1049673859.db2.gz MQSUOMIVWZHXMZ-UHFFFAOYSA-N 0 3 304.482 4.227 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206463317 1049737627 /nfs/dbraw/zinc/73/76/27/1049737627.db2.gz FJICLEKCBBXRAS-INIZCTEOSA-N 0 3 309.384 4.463 20 30 DIEDHN N#Cc1cccc(CN2CCCSC[C@@H]2c2ccccc2)c1 ZINC001197368592 1049748477 /nfs/dbraw/zinc/74/84/77/1049748477.db2.gz IXYWKNJYVHHRBK-LJQANCHMSA-N 0 3 308.450 4.238 20 30 DIEDHN CCC1(CC)CCCN1Cc1cc(C#N)ccc1Br ZINC001197514682 1049755805 /nfs/dbraw/zinc/75/58/05/1049755805.db2.gz PBSWNGFLBHNYAC-UHFFFAOYSA-N 0 3 321.262 4.475 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000489466859 1049759882 /nfs/dbraw/zinc/75/98/82/1049759882.db2.gz ZRGOMLCXCNONPA-FQEVSTJZSA-N 0 3 320.436 4.479 20 30 DIEDHN N#CC1(CNC2CC(Sc3ccccc3)C2)CCCCC1 ZINC001206694778 1049780722 /nfs/dbraw/zinc/78/07/22/1049780722.db2.gz MJKPVYVKHVMJED-UHFFFAOYSA-N 0 3 300.471 4.373 20 30 DIEDHN C[C@H](Cc1ccc(F)cc1Cl)NCC1(C#N)CCCCC1 ZINC001206694700 1049781206 /nfs/dbraw/zinc/78/12/06/1049781206.db2.gz JTKRVKAXXQJPCD-CYBMUJFWSA-N 0 3 308.828 4.474 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)C1(C)CCCC1 ZINC000489875258 1049789043 /nfs/dbraw/zinc/78/90/43/1049789043.db2.gz NJWMNMQQEXWYGT-UHFFFAOYSA-N 0 3 318.486 4.168 20 30 DIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000156607868 1049933732 /nfs/dbraw/zinc/93/37/32/1049933732.db2.gz ZSCFTLVZDOVVCW-KOLCDFICSA-N 0 3 324.858 4.268 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1ccccc1CN(C)C)c1ccccc1 ZINC000571902281 1049970719 /nfs/dbraw/zinc/97/07/19/1049970719.db2.gz NNPDJNMONHDMKO-INIZCTEOSA-N 0 3 308.425 4.047 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(N2CCCOC2=O)CC1 ZINC001208124426 1049975584 /nfs/dbraw/zinc/97/55/84/1049975584.db2.gz QYLGRLZKAPCKLS-CMDGGOBGSA-N 0 3 322.493 4.210 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(OC(=O)NCC)CC1 ZINC001208124572 1049975637 /nfs/dbraw/zinc/97/56/37/1049975637.db2.gz UGTDHWSYNUPMKL-ZHACJKMWSA-N 0 3 310.482 4.114 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(NC(=O)OCC)CC1 ZINC001208124012 1049975761 /nfs/dbraw/zinc/97/57/61/1049975761.db2.gz HXMKZBFSWMRQOC-ZHACJKMWSA-N 0 3 310.482 4.114 20 30 DIEDHN CC/C=C\CCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001208140986 1049977604 /nfs/dbraw/zinc/97/76/04/1049977604.db2.gz XRNUFNBNWXEQRD-ARJAWSKDSA-N 0 3 300.421 4.429 20 30 DIEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)o1 ZINC000156779211 1049978266 /nfs/dbraw/zinc/97/82/66/1049978266.db2.gz FYACXNAUAXRMFX-UHFFFAOYSA-N 0 3 310.397 4.192 20 30 DIEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)o1 ZINC000156779211 1049978269 /nfs/dbraw/zinc/97/82/69/1049978269.db2.gz FYACXNAUAXRMFX-UHFFFAOYSA-N 0 3 310.397 4.192 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCc3ncnc(C4CC4)c3CC2)CC1 ZINC001208175233 1049981609 /nfs/dbraw/zinc/98/16/09/1049981609.db2.gz PRTRPGBNCKFIBE-QGZVFWFLSA-N 0 3 323.484 4.057 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCC(c3nnc(CC)o3)CC2)CC1 ZINC001208178315 1049982497 /nfs/dbraw/zinc/98/24/97/1049982497.db2.gz PZPNXHKBPXQBAO-MRXNPFEDSA-N 0 3 315.461 4.114 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC001208928326 1050024266 /nfs/dbraw/zinc/02/42/66/1050024266.db2.gz FWGNJSWNXMRRRL-LJQANCHMSA-N 0 3 312.363 4.216 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337130 1050028488 /nfs/dbraw/zinc/02/84/88/1050028488.db2.gz IDZBPIUOCQJCBE-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN CCCc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000572710186 1050040672 /nfs/dbraw/zinc/04/06/72/1050040672.db2.gz HPXAIKWXIJOPOW-HNNXBMFYSA-N 0 3 308.425 4.370 20 30 DIEDHN C=CCCCCCCN1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001209437877 1050059885 /nfs/dbraw/zinc/05/98/85/1050059885.db2.gz XKDZYJWEFYNSDT-DLBZAZTESA-N 0 3 318.486 4.064 20 30 DIEDHN COCc1ccccc1/C=C(\C)CNCc1ccc(C#N)cc1F ZINC000590067209 1050076536 /nfs/dbraw/zinc/07/65/36/1050076536.db2.gz CSQYWHBGFZZBQE-OQLLNIDSSA-N 0 3 324.399 4.037 20 30 DIEDHN CC(C)(C)c1ccncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591246492 1050132254 /nfs/dbraw/zinc/13/22/54/1050132254.db2.gz VMVMGTSHMZWRQW-HXUWFJFHSA-N 0 3 319.452 4.418 20 30 DIEDHN CN(Cc1ccc(F)cc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573402313 1050174218 /nfs/dbraw/zinc/17/42/18/1050174218.db2.gz DYSLMVXZZWEABX-OTVXOJSOSA-N 0 3 314.326 4.250 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000824469071 1050217102 /nfs/dbraw/zinc/21/71/02/1050217102.db2.gz WBZIPBIDOUBKLU-VBKZILBWSA-N 0 3 324.399 4.284 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OC)c(O[C@H](C)CC)c2)c1 ZINC000825227406 1050290061 /nfs/dbraw/zinc/29/00/61/1050290061.db2.gz TUDPMAVFGCSCNV-MRXNPFEDSA-N 0 3 323.436 4.144 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@@H](SC)C2)c([O-])c1 ZINC000735228897 1050355818 /nfs/dbraw/zinc/35/58/18/1050355818.db2.gz KQHNTVUHLBFGLL-JNCYRGSCSA-N 0 3 320.502 4.332 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H](SC)C2)c([O-])c1 ZINC000735228896 1050356289 /nfs/dbraw/zinc/35/62/89/1050356289.db2.gz KQHNTVUHLBFGLL-FTLAUBJRSA-N 0 3 320.502 4.332 20 30 DIEDHN CCC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000785567716 1050395761 /nfs/dbraw/zinc/39/57/61/1050395761.db2.gz OIOSLIJFBUXQOJ-MRXNPFEDSA-N 0 3 300.427 4.259 20 30 DIEDHN CCc1cc(CN(C)Cc2cccc(C#N)c2)cc(CC)c1O ZINC001144151566 1050483472 /nfs/dbraw/zinc/48/34/72/1050483472.db2.gz YEXWEKLMGGWWSW-UHFFFAOYSA-N 0 3 308.425 4.021 20 30 DIEDHN Cc1cc2c(c(C)c1)[C@H](NC1(c3cccc(C#N)c3)CC1)CC2 ZINC000594497632 1050518460 /nfs/dbraw/zinc/51/84/60/1050518460.db2.gz JDHJZLYIXAURGE-LJQANCHMSA-N 0 3 302.421 4.441 20 30 DIEDHN CSc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496710 1050518582 /nfs/dbraw/zinc/51/85/82/1050518582.db2.gz SATDWTFDQOCMNJ-UHFFFAOYSA-N 0 3 310.466 4.499 20 30 DIEDHN Cc1ccc(-c2ncc(CNCC(C)(C)CC#N)s2)cc1C ZINC000594508697 1050526318 /nfs/dbraw/zinc/52/63/18/1050526318.db2.gz URQIPMGJRXKCJD-UHFFFAOYSA-N 0 3 313.470 4.456 20 30 DIEDHN Cc1nc2c(s1)[C@H](NC1(c3ccc(C#N)cc3)CCC1)CCC2 ZINC000594512214 1050526750 /nfs/dbraw/zinc/52/67/50/1050526750.db2.gz CEJADVBVECJKFC-QGZVFWFLSA-N 0 3 323.465 4.370 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000594517612 1050528567 /nfs/dbraw/zinc/52/85/67/1050528567.db2.gz KQCSGDBJXTYHGX-CQSZACIVSA-N 0 3 319.383 4.299 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCc4cc(F)ccc43)CCC2)cc1 ZINC000594517551 1050529326 /nfs/dbraw/zinc/52/93/26/1050529326.db2.gz YOKNNNUZCIMYLL-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN C[C@H]1c2ccc(F)cc2CCN1CCCOc1ccc(C#N)cc1 ZINC000738343148 1050530595 /nfs/dbraw/zinc/53/05/95/1050530595.db2.gz ZGIWNGOALVYYRF-HNNXBMFYSA-N 0 3 324.399 4.086 20 30 DIEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H](C)c1cccnc1 ZINC000594606884 1050539847 /nfs/dbraw/zinc/53/98/47/1050539847.db2.gz MQMFQYHMGYDZPQ-INIZCTEOSA-N 0 3 307.441 4.466 20 30 DIEDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2[O-] ZINC000787025382 1050540100 /nfs/dbraw/zinc/54/01/00/1050540100.db2.gz GHEQWRJHKSJDAK-NVGVWMPQSA-N 0 3 322.383 4.228 20 30 DIEDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2[O-] ZINC000787025385 1050540593 /nfs/dbraw/zinc/54/05/93/1050540593.db2.gz GHEQWRJHKSJDAK-SSKCKEOISA-N 0 3 322.383 4.228 20 30 DIEDHN N#CC(C(=O)CC/C=C/c1ccccc1)c1nc2ccccc2[nH]1 ZINC000739141788 1050561471 /nfs/dbraw/zinc/56/14/71/1050561471.db2.gz CIXMNMKQSXOXTQ-IGKXFLDPSA-N 0 3 315.376 4.233 20 30 DIEDHN CC(C)(NCc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1 ZINC000594920389 1050563574 /nfs/dbraw/zinc/56/35/74/1050563574.db2.gz FMJYAMOVSQFYIW-UHFFFAOYSA-N 0 3 308.400 4.406 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594923662 1050563984 /nfs/dbraw/zinc/56/39/84/1050563984.db2.gz IZXYYGJXHBMBOG-OAHLLOKOSA-N 0 3 306.409 4.101 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(F)c2Cl)no1 ZINC001211436751 1050567001 /nfs/dbraw/zinc/56/70/01/1050567001.db2.gz VYGRMZGLNJZKPD-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cccc3c2CCCC3)no1 ZINC001211436602 1050567595 /nfs/dbraw/zinc/56/75/95/1050567595.db2.gz RCRCYICPMHUKDA-UHFFFAOYSA-N 0 3 323.440 4.115 20 30 DIEDHN Cc1ccc2cc(CN[C@H]3CCc4cc(C#N)ccc43)[nH]c2c1 ZINC000594938463 1050576529 /nfs/dbraw/zinc/57/65/29/1050576529.db2.gz LHDZVBORGNVDMS-IBGZPJMESA-N 0 3 301.393 4.125 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000594945584 1050577705 /nfs/dbraw/zinc/57/77/05/1050577705.db2.gz FUVNKQGXVMEUBH-UHFFFAOYSA-N 0 3 313.376 4.042 20 30 DIEDHN Cc1ccccc1C1(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594950419 1050578201 /nfs/dbraw/zinc/57/82/01/1050578201.db2.gz KGFJMQFSCGCKDE-UHFFFAOYSA-N 0 3 302.421 4.329 20 30 DIEDHN Cc1c2[nH]ccc2ccc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171183035 1050582264 /nfs/dbraw/zinc/58/22/64/1050582264.db2.gz ZZKUFJLCYQCMMU-UHFFFAOYSA-N 0 3 315.376 4.372 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCCC1)c1cnc2ccccc2n1 ZINC000845530192 1050589416 /nfs/dbraw/zinc/58/94/16/1050589416.db2.gz DQUIKJFUGSLXRF-LPQFERQCSA-N 0 3 319.408 4.333 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043078 1050600560 /nfs/dbraw/zinc/60/05/60/1050600560.db2.gz FWJQIRVVQUDDKZ-SCLBCKFNSA-N 0 3 317.392 4.428 20 30 DIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045558 1050600833 /nfs/dbraw/zinc/60/08/33/1050600833.db2.gz NTGVLBGOICBSBS-SJCJKPOMSA-N 0 3 303.365 4.038 20 30 DIEDHN COc1cccc(C2(N[C@H](C)c3ccc(C#N)c(F)c3)CCC2)c1 ZINC000595094330 1050612063 /nfs/dbraw/zinc/61/20/63/1050612063.db2.gz WVRFOORGOOGLOG-CQSZACIVSA-N 0 3 324.399 4.436 20 30 DIEDHN CC[C@H](N[C@@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097201 1050613130 /nfs/dbraw/zinc/61/31/30/1050613130.db2.gz SNYUJCZYWWUQLP-ACRUOGEOSA-N 0 3 322.452 4.357 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001144576200 1050621217 /nfs/dbraw/zinc/62/12/17/1050621217.db2.gz FWMAMDPWLUTRQA-UHFFFAOYSA-N 0 3 303.327 4.319 20 30 DIEDHN C#CC(C)(C)N(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000787996998 1050635345 /nfs/dbraw/zinc/63/53/45/1050635345.db2.gz DRZPSKGJDCOVHR-UHFFFAOYSA-N 0 3 311.425 4.068 20 30 DIEDHN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](CC#N)C1 ZINC000595613858 1050657274 /nfs/dbraw/zinc/65/72/74/1050657274.db2.gz IOTULOHZCMCNJL-CHWSQXEVSA-N 0 3 312.335 4.272 20 30 DIEDHN CCCCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000746743112 1050669564 /nfs/dbraw/zinc/66/95/64/1050669564.db2.gz VUIIGQQWYFOQKN-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN CN(CC1=CCSC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000595887185 1050673001 /nfs/dbraw/zinc/67/30/01/1050673001.db2.gz BLNXQTPVHSEAIW-UHFFFAOYSA-N 0 3 320.461 4.330 20 30 DIEDHN CC[C@H](/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])c1ccncc1 ZINC000741466523 1050682951 /nfs/dbraw/zinc/68/29/51/1050682951.db2.gz UNIQDVNRBIVMRK-SXZORUHJSA-N 0 3 311.429 4.204 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000788520409 1050696752 /nfs/dbraw/zinc/69/67/52/1050696752.db2.gz VNPZSXBNAHLKGW-SFHVURJKSA-N 0 3 319.408 4.139 20 30 DIEDHN CC(C)Oc1ccc2nccc(N3CCC[C@@H](CC#N)C3)c2c1 ZINC000596326388 1050707932 /nfs/dbraw/zinc/70/79/32/1050707932.db2.gz SVYUBTPVGPEDKW-HNNXBMFYSA-N 0 3 309.413 4.152 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1ccc(N(C)CC)cc1 ZINC000741752957 1050737172 /nfs/dbraw/zinc/73/71/72/1050737172.db2.gz KMMJEPYRXHOGRZ-UHFFFAOYSA-N 0 3 300.471 4.392 20 30 DIEDHN C#CCN(CCn1ccc2cc(Cl)ccc21)Cc1ccccc1 ZINC001170094536 1050777431 /nfs/dbraw/zinc/77/74/31/1050777431.db2.gz ITNALGFIFOTITB-UHFFFAOYSA-N 0 3 322.839 4.430 20 30 DIEDHN CCN(Cc1cc(COC)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984944 1050795193 /nfs/dbraw/zinc/79/51/93/1050795193.db2.gz YGKHRJUPZFCPSC-AWEZNQCLSA-N 0 3 314.454 4.349 20 30 DIEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597020553 1050796810 /nfs/dbraw/zinc/79/68/10/1050796810.db2.gz UFLFPNKCNNNBHT-HNNXBMFYSA-N 0 3 306.409 4.140 20 30 DIEDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088524 1050809107 /nfs/dbraw/zinc/80/91/07/1050809107.db2.gz OZVXAYGDGGJOPY-CJNGLKHVSA-N 0 3 322.374 4.405 20 30 DIEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133024 1050810678 /nfs/dbraw/zinc/81/06/78/1050810678.db2.gz PZJZBHZOGUXILW-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137367 1050811319 /nfs/dbraw/zinc/81/13/19/1050811319.db2.gz GFHJQCRIIODATA-CZUORRHYSA-N 0 3 322.374 4.405 20 30 DIEDHN CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469671 1050814319 /nfs/dbraw/zinc/81/43/19/1050814319.db2.gz SPEOHAFPPSSIAX-AWEZNQCLSA-N 0 3 309.369 4.050 20 30 DIEDHN CC(C)CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597174362 1050819592 /nfs/dbraw/zinc/81/95/92/1050819592.db2.gz PKMIIHZXJPLQSC-KRWDZBQOSA-N 0 3 300.446 4.237 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000742368993 1050821893 /nfs/dbraw/zinc/82/18/93/1050821893.db2.gz UBNWEYDRAOJWBW-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000742368992 1050822493 /nfs/dbraw/zinc/82/24/93/1050822493.db2.gz UBNWEYDRAOJWBW-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1ccc(CNCc2ccc(OC(C)(C)C)cc2)cc1C#N ZINC000742367650 1050822548 /nfs/dbraw/zinc/82/25/48/1050822548.db2.gz DTLWVVMNQNTWRW-UHFFFAOYSA-N 0 3 324.424 4.034 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000772986249 1050919627 /nfs/dbraw/zinc/91/96/27/1050919627.db2.gz CASAMYXVQQDEBM-HXUWFJFHSA-N 0 3 305.421 4.330 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000743477401 1051033990 /nfs/dbraw/zinc/03/39/90/1051033990.db2.gz ROIOSTZPUJYZEG-KXBFYZLASA-N 0 3 319.408 4.090 20 30 DIEDHN CCC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(OC)cc1 ZINC000773077363 1051052683 /nfs/dbraw/zinc/05/26/83/1051052683.db2.gz RHVLDKWAVMXJCT-IBGZPJMESA-N 0 3 324.424 4.206 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1c(F)cccc1F ZINC000791569065 1051058642 /nfs/dbraw/zinc/05/86/42/1051058642.db2.gz RMRKQHMZFVEBQK-GOSISDBHSA-N 0 3 317.379 4.077 20 30 DIEDHN COc1ccc(CN[C@@H]2C[C@H](C)c3c2cccc3C)cc1C#N ZINC000773086096 1051059095 /nfs/dbraw/zinc/05/90/95/1051059095.db2.gz YHYOIRMYNCOWIW-KBXCAEBGSA-N 0 3 306.409 4.213 20 30 DIEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000744029161 1051093187 /nfs/dbraw/zinc/09/31/87/1051093187.db2.gz PMXYKFNFVUQDNH-DOTOQJQBSA-N 0 3 314.429 4.249 20 30 DIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000744016098 1051095169 /nfs/dbraw/zinc/09/51/69/1051095169.db2.gz JHHYEUPVLAQWCW-VXGBXAGGSA-N 0 3 310.378 4.178 20 30 DIEDHN N#CC(C(=O)CCc1ccc(F)cc1)c1nccc2ccccc21 ZINC000792101559 1051115790 /nfs/dbraw/zinc/11/57/90/1051115790.db2.gz GRORCSBHCNBCOS-GOSISDBHSA-N 0 3 318.351 4.183 20 30 DIEDHN N#CC(C(=O)CCc1ccccc1)c1nccc2ccccc21 ZINC000792105868 1051115996 /nfs/dbraw/zinc/11/59/96/1051115996.db2.gz NVFRKFDRTASBOC-GOSISDBHSA-N 0 3 300.361 4.044 20 30 DIEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1F ZINC000792231152 1051129098 /nfs/dbraw/zinc/12/90/98/1051129098.db2.gz KHZZVUFBTGAVJT-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1F ZINC000792231152 1051129101 /nfs/dbraw/zinc/12/91/01/1051129101.db2.gz KHZZVUFBTGAVJT-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN COc1c(C)cc([C@H](C)NCc2ccc(C#N)cc2)cc1Cl ZINC000796695844 1051134936 /nfs/dbraw/zinc/13/49/36/1051134936.db2.gz PQPDOVSZRBYHNK-ZDUSSCGKSA-N 0 3 314.816 4.380 20 30 DIEDHN C#CC[C@@H]1CCCN([C@H](C)c2cccc(Br)c2)C1 ZINC001171489940 1051144178 /nfs/dbraw/zinc/14/41/78/1051144178.db2.gz KMZWKVCMLGDIOO-ZIAGYGMSSA-N 0 3 306.247 4.245 20 30 DIEDHN N#Cc1ccc(C2(NCc3cccc4cccnc43)CCC2)cc1 ZINC001171567999 1051170463 /nfs/dbraw/zinc/17/04/63/1051170463.db2.gz SADJXLZQQNBHAG-UHFFFAOYSA-N 0 3 313.404 4.275 20 30 DIEDHN Fc1ccc(C#CCNC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC001170252142 1051173772 /nfs/dbraw/zinc/17/37/72/1051173772.db2.gz AEUGYAGSCLQNPC-UHFFFAOYSA-N 0 3 313.803 4.500 20 30 DIEDHN Cc1cc2c(cn1)CN(C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170396338 1051197917 /nfs/dbraw/zinc/19/79/17/1051197917.db2.gz YQWSHGWGNMPKHZ-UHFFFAOYSA-N 0 3 317.436 4.110 20 30 DIEDHN COCC#CCN[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001171799390 1051222998 /nfs/dbraw/zinc/22/29/98/1051222998.db2.gz OPWBBHGQJNOSDD-ZWKOTPCHSA-N 0 3 323.436 4.127 20 30 DIEDHN CC(C)CN(CCO[C@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000792927696 1051231732 /nfs/dbraw/zinc/23/17/32/1051231732.db2.gz RXIOIKVHHWKXIG-CABCVRRESA-N 0 3 308.853 4.288 20 30 DIEDHN N#Cc1ccc(Nc2cccc(CN3CCCCC3)c2F)s1 ZINC001215675461 1051294005 /nfs/dbraw/zinc/29/40/05/1051294005.db2.gz IKHLXSYLTHFMCH-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN N#Cc1sccc1Nc1cccc(CN2CCCCC2)c1F ZINC001215675493 1051294630 /nfs/dbraw/zinc/29/46/30/1051294630.db2.gz JPULDWANKFZCIR-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN N#Cc1cc(N)ccc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215712945 1051319191 /nfs/dbraw/zinc/31/91/91/1051319191.db2.gz PAERRLXEGHVXOF-UHFFFAOYSA-N 0 3 324.403 4.009 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)cc(Cl)cc1F ZINC001172303382 1051333848 /nfs/dbraw/zinc/33/38/48/1051333848.db2.gz XKNFWGOXRNZCEE-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN COCc1cc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348606 1051393901 /nfs/dbraw/zinc/39/39/01/1051393901.db2.gz AJULNTTZUKCFOA-LSDHHAIUSA-N 0 3 324.424 4.125 20 30 DIEDHN C[C@H](CCCC#N)NC1(c2ccccc2Br)CC1 ZINC001172485723 1051404395 /nfs/dbraw/zinc/40/43/95/1051404395.db2.gz SSKMSXCJKKOSSK-GFCCVEGCSA-N 0 3 307.235 4.110 20 30 DIEDHN CCCCCCC[C@H](CCC)N1CCN(CC(F)F)CC1 ZINC001172511582 1051428392 /nfs/dbraw/zinc/42/83/92/1051428392.db2.gz ULWHQZGUAHLHGY-INIZCTEOSA-N 0 3 304.469 4.398 20 30 DIEDHN COc1ccc([C@@H](NCC#Cc2ccc(F)cc2)C(C)C)cc1 ZINC001168786003 1051418797 /nfs/dbraw/zinc/41/87/97/1051418797.db2.gz VJJMIZKMCIYUPI-FQEVSTJZSA-N 0 3 311.400 4.173 20 30 DIEDHN CCCCCCCC[C@H](CC)NCc1cc2n(n1)CCCO2 ZINC001172504865 1051422493 /nfs/dbraw/zinc/42/24/93/1051422493.db2.gz HWMBIGJOKWGDEV-INIZCTEOSA-N 0 3 307.482 4.284 20 30 DIEDHN CCCCCCCC[C@H](CC)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172504552 1051423008 /nfs/dbraw/zinc/42/30/08/1051423008.db2.gz GFOJGIJPYHNVSM-ULQDDVLXSA-N 0 3 305.453 4.260 20 30 DIEDHN CCCCCCCC[C@@H](CC)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172503667 1051423093 /nfs/dbraw/zinc/42/30/93/1051423093.db2.gz ZNGGJKMIGJQJEM-IAGOWNOFSA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172505665 1051424785 /nfs/dbraw/zinc/42/47/85/1051424785.db2.gz RLCQTWVHSWSOGW-XHSDSOJGSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCCC[C@@H](CC)n1cnc(CN)c1C(=O)OCC ZINC001172505316 1051425080 /nfs/dbraw/zinc/42/50/80/1051425080.db2.gz LJLAZRWXQOICAE-OAHLLOKOSA-N 0 3 323.481 4.220 20 30 DIEDHN CCCCCCC[C@@H](CCC)N1CCN(CC(F)F)CC1 ZINC001172511683 1051428774 /nfs/dbraw/zinc/42/87/74/1051428774.db2.gz ULWHQZGUAHLHGY-MRXNPFEDSA-N 0 3 304.469 4.398 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2cc(F)ccc21 ZINC000766492921 1051432410 /nfs/dbraw/zinc/43/24/10/1051432410.db2.gz ZEMSAKOLDWITDG-LJQANCHMSA-N 0 3 309.384 4.005 20 30 DIEDHN Cc1ccc(C(C)(C)Nc2ccc(/N=C/N(C)C)c(C#N)c2)cc1 ZINC001168803780 1051441461 /nfs/dbraw/zinc/44/14/61/1051441461.db2.gz LUWMOSMABZKBEF-HYARGMPZSA-N 0 3 320.440 4.435 20 30 DIEDHN C[C@@H](CCc1c(F)cc(Cl)cc1F)NCc1cc(C#N)co1 ZINC001172572821 1051448810 /nfs/dbraw/zinc/44/88/10/1051448810.db2.gz LVIOPKCXLABJBI-JTQLQIEISA-N 0 3 324.758 4.194 20 30 DIEDHN CC(C)[C@H](C#N)N1CCN([C@H](C)c2cccc3ccccc32)CC1 ZINC001168873703 1051461122 /nfs/dbraw/zinc/46/11/22/1051461122.db2.gz RMOCYJDBXJTJSU-UTKZUKDTSA-N 0 3 321.468 4.067 20 30 DIEDHN C[C@@H](Cc1ccc(F)cc1Cl)NCc1ccccc1C#N ZINC001172860485 1051547433 /nfs/dbraw/zinc/54/74/33/1051547433.db2.gz DOSVYLXTOXTDEY-LBPRGKRZSA-N 0 3 302.780 4.072 20 30 DIEDHN C=C(C)[C@H](NCC[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC001169475033 1051627425 /nfs/dbraw/zinc/62/74/25/1051627425.db2.gz XIWZVZUPAKWHKL-MOPGFXCFSA-N 0 3 317.379 4.295 20 30 DIEDHN CCc1ccc(C[C@H](C)NC(=N)c2ccc3ccccc3n2)cc1 ZINC001173240889 1051672600 /nfs/dbraw/zinc/67/26/00/1051672600.db2.gz KGFKKBLUYGBYIK-HNNXBMFYSA-N 0 3 317.436 4.134 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000493962736 1051673435 /nfs/dbraw/zinc/67/34/35/1051673435.db2.gz WBNVXFBHWBGBNN-JXFKEZNVSA-N 0 3 311.425 4.117 20 30 DIEDHN CCCCCCCC[C@@H](CCC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001173309761 1051681831 /nfs/dbraw/zinc/68/18/31/1051681831.db2.gz KWJJZLUALWRYIN-SJORKVTESA-N 0 3 317.539 4.025 20 30 DIEDHN C=CCOC1CCC(NCc2c(F)ccc(C)c2Cl)CC1 ZINC001173311166 1051683600 /nfs/dbraw/zinc/68/36/00/1051683600.db2.gz HCQBRCKMBLTGBN-UHFFFAOYSA-N 0 3 311.828 4.391 20 30 DIEDHN CCCCCCCCC[C@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173285581 1051688267 /nfs/dbraw/zinc/68/82/67/1051688267.db2.gz XOAWTMJEMQKWOD-MSOLQXFVSA-N 0 3 323.525 4.397 20 30 DIEDHN CCCCCCCCC[C@@H](CCC)n1cc(CN)cnc1=N ZINC001173284901 1051688792 /nfs/dbraw/zinc/68/87/92/1051688792.db2.gz KQOZQOMHLIMZCA-QGZVFWFLSA-N 0 3 306.498 4.303 20 30 DIEDHN C=CC[C@@H]1N(Cc2cc(C(=O)OC)ccc2F)CCCC1(C)C ZINC001169844140 1051712164 /nfs/dbraw/zinc/71/21/64/1051712164.db2.gz KUXRAGRIDLZWOE-KRWDZBQOSA-N 0 3 319.420 4.179 20 30 DIEDHN C#CCCCN1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000766895155 1051739351 /nfs/dbraw/zinc/73/93/51/1051739351.db2.gz JOHZRAOEADNCHL-OAHLLOKOSA-N 0 3 322.246 4.008 20 30 DIEDHN CC1(C#N)CCC(n2c3ccccc3nc2[C@H]2CCCCN2)CC1 ZINC001173596925 1051758359 /nfs/dbraw/zinc/75/83/59/1051758359.db2.gz BJXYHUQVEOUQJI-RYZJOYRSSA-N 0 3 322.456 4.496 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103516 1051883274 /nfs/dbraw/zinc/88/32/74/1051883274.db2.gz GBECUHCDGBEWHR-GUYCJALGSA-N 0 3 300.377 4.197 20 30 DIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000176535774 1051920883 /nfs/dbraw/zinc/92/08/83/1051920883.db2.gz MBKQDTDQRVBIMO-RHSMWYFYSA-N 0 3 312.413 4.204 20 30 DIEDHN CCCCCCCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439026 1051932777 /nfs/dbraw/zinc/93/27/77/1051932777.db2.gz DLFTWURZRNRFMF-GOSISDBHSA-N 0 3 321.461 4.000 20 30 DIEDHN CCCCCCCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439026 1051932786 /nfs/dbraw/zinc/93/27/86/1051932786.db2.gz DLFTWURZRNRFMF-GOSISDBHSA-N 0 3 321.461 4.000 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326791 1051992693 /nfs/dbraw/zinc/99/26/93/1051992693.db2.gz VTUOQZASPIJFON-HNAYVOBHSA-N 0 3 324.424 4.399 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1ncccc1-c1ccccc1 ZINC001218583667 1052252417 /nfs/dbraw/zinc/25/24/17/1052252417.db2.gz XTVZOZKGMPXTHJ-SFHVURJKSA-N 0 3 323.440 4.151 20 30 DIEDHN CCCCCCC[C@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027929 1052269397 /nfs/dbraw/zinc/26/93/97/1052269397.db2.gz IONCGQSNKRURHN-HNNXBMFYSA-N 0 3 318.461 4.104 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000915113163 1052351282 /nfs/dbraw/zinc/35/12/82/1052351282.db2.gz PLRSQNARSQSJAT-HSMAQGNYSA-N 0 3 321.424 4.290 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000153503942 1052363686 /nfs/dbraw/zinc/36/36/86/1052363686.db2.gz NIVJBNSSYYOLOG-FOIQADDNSA-N 0 3 324.399 4.454 20 30 DIEDHN C[C@H](CC1CCCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477193 1052605922 /nfs/dbraw/zinc/60/59/22/1052605922.db2.gz RULRHZQJZAPFTI-RISCZKNCSA-N 0 3 306.356 4.143 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000488128489 1052616683 /nfs/dbraw/zinc/61/66/83/1052616683.db2.gz MABMGFCSADPDTF-ZDUSSCGKSA-N 0 3 316.351 4.319 20 30 DIEDHN C=CCOc1ccccc1CNCc1ccc(N(CC)CC)cc1 ZINC000916837186 1052657742 /nfs/dbraw/zinc/65/77/42/1052657742.db2.gz KFCHXWNXRSUFDF-UHFFFAOYSA-N 0 3 324.468 4.387 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000916956313 1052672726 /nfs/dbraw/zinc/67/27/26/1052672726.db2.gz ZSNDFJQSRLXHAD-WMLDXEAASA-N 0 3 314.429 4.284 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000916956311 1052673072 /nfs/dbraw/zinc/67/30/72/1052673072.db2.gz ZSNDFJQSRLXHAD-RHSMWYFYSA-N 0 3 314.429 4.284 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OC(C)C)cc2)cc1 ZINC000066116827 1052686057 /nfs/dbraw/zinc/68/60/57/1052686057.db2.gz HSMXSQITSMXZJX-UHFFFAOYSA-N 0 3 311.425 4.328 20 30 DIEDHN C=CCN(Cc1cccc(C(=O)Nc2ccccc2)c1)C(C)C ZINC000917405172 1052725348 /nfs/dbraw/zinc/72/53/48/1052725348.db2.gz HOTUWJMUPYDJDB-UHFFFAOYSA-N 0 3 308.425 4.335 20 30 DIEDHN C=CCCCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224918003 1052736218 /nfs/dbraw/zinc/73/62/18/1052736218.db2.gz WEVCTRCXWSLKJK-QXAKKESOSA-N 0 3 307.478 4.114 20 30 DIEDHN CCCCS[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000918482882 1052800585 /nfs/dbraw/zinc/80/05/85/1052800585.db2.gz FTXQWXJTNQWILW-RYUDHWBXSA-N 0 3 318.467 4.394 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755251 1052945333 /nfs/dbraw/zinc/94/53/33/1052945333.db2.gz DTHQAGNECAPLNL-CYBMUJFWSA-N 0 3 314.816 4.461 20 30 DIEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1F ZINC000609916571 1052999090 /nfs/dbraw/zinc/99/90/90/1052999090.db2.gz XWSCKIZRIKOGBQ-SUMWQHHRSA-N 0 3 312.363 4.214 20 30 DIEDHN C=C[C@H](C)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000237594528 1053013978 /nfs/dbraw/zinc/01/39/78/1053013978.db2.gz SNBWASDLIRNMEM-ZDUSSCGKSA-N 0 3 314.816 4.256 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 ZINC000237693520 1053021558 /nfs/dbraw/zinc/02/15/58/1053021558.db2.gz HTJZAQCOEZRYAS-AWEZNQCLSA-N 0 3 312.388 4.141 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649512 1053024816 /nfs/dbraw/zinc/02/48/16/1053024816.db2.gz SXOOMAJPOFBGLL-FZKQIMNGSA-N 0 3 324.449 4.455 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649517 1053024959 /nfs/dbraw/zinc/02/49/59/1053024959.db2.gz SXOOMAJPOFBGLL-UGSOOPFHSA-N 0 3 324.449 4.455 20 30 DIEDHN Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1F ZINC000179932098 1053036778 /nfs/dbraw/zinc/03/67/78/1053036778.db2.gz ONMWUBDVFWUASI-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cnc2ccsc2c1 ZINC000180551712 1053069925 /nfs/dbraw/zinc/06/99/25/1053069925.db2.gz NWWBTKYMIRCGNU-CYBMUJFWSA-N 0 3 323.421 4.049 20 30 DIEDHN C=CCOc1ccccc1[C@H](C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228945344 1053211683 /nfs/dbraw/zinc/21/16/83/1053211683.db2.gz UHFRYDOYLAAIPZ-INIZCTEOSA-N 0 3 323.436 4.379 20 30 DIEDHN C#CC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001319732166 1053268526 /nfs/dbraw/zinc/26/85/26/1053268526.db2.gz AXPOGBKHKYZZOT-OAQYLSRUSA-N 0 3 304.437 4.141 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001320091972 1053303899 /nfs/dbraw/zinc/30/38/99/1053303899.db2.gz QGSSZFDOPPJRFO-FQEVSTJZSA-N 0 3 323.436 4.043 20 30 DIEDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(C#N)cc1F ZINC001320126282 1053308418 /nfs/dbraw/zinc/30/84/18/1053308418.db2.gz XWCQUXGBFRPRIE-MLGOLLRUSA-N 0 3 310.372 4.050 20 30 DIEDHN Cc1cc(F)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181948820 1053316858 /nfs/dbraw/zinc/31/68/58/1053316858.db2.gz LUFYSOLNFLOMDK-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN CCN1CC[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229428151 1053317784 /nfs/dbraw/zinc/31/77/84/1053317784.db2.gz IDPPLRVHZXLUFB-BNCSFYMNSA-N 0 3 321.420 4.056 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569867 1053325939 /nfs/dbraw/zinc/32/59/39/1053325939.db2.gz AZFVXXXNSVINNV-YJYMSZOUSA-N 0 3 321.380 4.195 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427562 1053334039 /nfs/dbraw/zinc/33/40/39/1053334039.db2.gz GKZBAQIHTGHYRZ-DGCLKSJQSA-N 0 3 320.433 4.109 20 30 DIEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1F ZINC001320480361 1053337786 /nfs/dbraw/zinc/33/77/86/1053337786.db2.gz NGJKJYDDAKXSOV-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591037 1053347617 /nfs/dbraw/zinc/34/76/17/1053347617.db2.gz BAOVCUVHKSBONF-XHDPSFHLSA-N 0 3 320.433 4.109 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(F)c(Cl)c1 ZINC000618742350 1053358015 /nfs/dbraw/zinc/35/80/15/1053358015.db2.gz XCQXYKWSAFTWLW-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN Cc1ccc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc2n1 ZINC000618741156 1053358274 /nfs/dbraw/zinc/35/82/74/1053358274.db2.gz AWWRFALFQDECSU-NRFANRHFSA-N 0 3 313.404 4.192 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OCC2CC2)cc1 ZINC000618741671 1053359144 /nfs/dbraw/zinc/35/91/44/1053359144.db2.gz KFHVFIXZRKNFNS-NRFANRHFSA-N 0 3 318.420 4.124 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ccc(F)cc21 ZINC000618804659 1053371235 /nfs/dbraw/zinc/37/12/35/1053371235.db2.gz BWUBSYPNFZCCCS-WOJBJXKFSA-N 0 3 306.384 4.352 20 30 DIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808081 1053372617 /nfs/dbraw/zinc/37/26/17/1053372617.db2.gz YVNZYVJWVLEXFE-DJJJIMSYSA-N 0 3 323.415 4.101 20 30 DIEDHN Cc1c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807480 1053373382 /nfs/dbraw/zinc/37/33/82/1053373382.db2.gz ZXABXHVYMFKGSM-BFUOFWGJSA-N 0 3 322.456 4.156 20 30 DIEDHN Cc1c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807484 1053373597 /nfs/dbraw/zinc/37/35/97/1053373597.db2.gz ZXABXHVYMFKGSM-ORAYPTAESA-N 0 3 322.456 4.156 20 30 DIEDHN Cc1oc2ccccc2c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618831522 1053377498 /nfs/dbraw/zinc/37/74/98/1053377498.db2.gz ZCPQFLGEALBCCS-IBGZPJMESA-N 0 3 302.377 4.390 20 30 DIEDHN C#CCOc1ccc([C@H](C)NC2(c3cccc(F)c3)CC2)cc1 ZINC000182220122 1053379166 /nfs/dbraw/zinc/37/91/66/1053379166.db2.gz YQNXCEVNNPUEOH-HNNXBMFYSA-N 0 3 309.384 4.178 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC001321240720 1053403273 /nfs/dbraw/zinc/40/32/73/1053403273.db2.gz GAAASJNZKUDANJ-QWHCGFSZSA-N 0 3 305.418 4.406 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(-c2ccccc2F)s1 ZINC001321240719 1053403611 /nfs/dbraw/zinc/40/36/11/1053403611.db2.gz GAAASJNZKUDANJ-OLZOCXBDSA-N 0 3 305.418 4.406 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295507 1053406438 /nfs/dbraw/zinc/40/64/38/1053406438.db2.gz ADFKWFKYUJUUDJ-DMDPSCGWSA-N 0 3 312.335 4.160 20 30 DIEDHN CCc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182553062 1053467363 /nfs/dbraw/zinc/46/73/63/1053467363.db2.gz DIUSGZVIBLCKLA-UHFFFAOYSA-N 0 3 319.452 4.197 20 30 DIEDHN COc1ccc(C)cc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508429 1053497532 /nfs/dbraw/zinc/49/75/32/1053497532.db2.gz UBMSOBCKDQKMME-FQEVSTJZSA-N 0 3 320.436 4.433 20 30 DIEDHN N#CC(C(=O)CCC1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000847619505 1053510924 /nfs/dbraw/zinc/51/09/24/1053510924.db2.gz FDVVENNPALJZQV-OAHLLOKOSA-N 0 3 309.413 4.490 20 30 DIEDHN CC[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1OC ZINC000325727723 1053525082 /nfs/dbraw/zinc/52/50/82/1053525082.db2.gz OJBCBANVLFVSDO-MOMVYJMYSA-N 0 3 320.436 4.360 20 30 DIEDHN CC(C)(C#N)CN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000619674754 1053528546 /nfs/dbraw/zinc/52/85/46/1053528546.db2.gz PVHHSKNHJICHGZ-DZGCQCFKSA-N 0 3 310.363 4.481 20 30 DIEDHN CCCCCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001230486952 1053546804 /nfs/dbraw/zinc/54/68/04/1053546804.db2.gz DYTJTCVDWVLRRG-UHFFFAOYSA-N 0 3 323.525 4.007 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1Cl ZINC000619755911 1053547571 /nfs/dbraw/zinc/54/75/71/1053547571.db2.gz YNTCSKYVJQAVKL-GOSISDBHSA-N 0 3 311.816 4.248 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccccc1N(C)C ZINC000619755071 1053547986 /nfs/dbraw/zinc/54/79/86/1053547986.db2.gz SEHTXIBPIIPPKS-CYBMUJFWSA-N 0 3 313.832 4.128 20 30 DIEDHN N#Cc1ccc(CNC/C=C/c2ccc(F)cc2F)cc1Cl ZINC000619748498 1053553812 /nfs/dbraw/zinc/55/38/12/1053553812.db2.gz MRDPJYPZKBMGOX-OWOJBTEDSA-N 0 3 318.754 4.293 20 30 DIEDHN N#Cc1ccc(CNCc2ccc3ncccc3c2)cc1Cl ZINC000619748951 1053557107 /nfs/dbraw/zinc/55/71/07/1053557107.db2.gz ZJHXYJVDNPJJKG-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN C[C@@H](NCc1ccc(Cl)s1)c1ccc(OCC#N)cc1 ZINC000070941068 1053577866 /nfs/dbraw/zinc/57/78/66/1053577866.db2.gz DIBPSMVBKYUVLB-LLVKDONJSA-N 0 3 306.818 4.155 20 30 DIEDHN Cc1cc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n[nH]1 ZINC001325204659 1053706925 /nfs/dbraw/zinc/70/69/25/1053706925.db2.gz VVONUSLXBXSIQG-OAHLLOKOSA-N 0 3 316.408 4.108 20 30 DIEDHN CCCCCCCCCCN(C)Cc1cccc(C(=O)OC)n1 ZINC001231427390 1053748065 /nfs/dbraw/zinc/74/80/65/1053748065.db2.gz GSENSSGSRLUJSD-UHFFFAOYSA-N 0 3 320.477 4.441 20 30 DIEDHN Cn1c2ccccc2c(CN2CC(CC#N)C2)c1-c1ccccc1 ZINC001231569978 1053786241 /nfs/dbraw/zinc/78/62/41/1053786241.db2.gz AHGDAZYFLSTMFH-UHFFFAOYSA-N 0 3 315.420 4.191 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC(c3ccc(F)cc3)C2)cc1 ZINC001326853528 1053805486 /nfs/dbraw/zinc/80/54/86/1053805486.db2.gz OYBOPFJQQCPWLV-UHFFFAOYSA-N 0 3 308.400 4.226 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc2cc(Br)ccc2n1 ZINC001232105928 1053965923 /nfs/dbraw/zinc/96/59/23/1053965923.db2.gz KRTSBFHQRFEFSP-UHFFFAOYSA-N 0 3 319.246 4.395 20 30 DIEDHN Cc1cccc(F)c1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001232488086 1054057674 /nfs/dbraw/zinc/05/76/74/1054057674.db2.gz ZDUCOUVGOVOPOY-GOSISDBHSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc43)CC2)s1 ZINC001232844256 1054131123 /nfs/dbraw/zinc/13/11/23/1054131123.db2.gz KTKSXJXZXWJCSO-UHFFFAOYSA-N 0 3 308.450 4.100 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCO2 ZINC000848566799 1054152955 /nfs/dbraw/zinc/15/29/55/1054152955.db2.gz JDOHZWPARQDCPZ-HNNXBMFYSA-N 0 3 318.420 4.223 20 30 DIEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(SC)c(C#N)c1 ZINC001334034644 1054178022 /nfs/dbraw/zinc/17/80/22/1054178022.db2.gz XGXHLJFAYNPONR-KRWDZBQOSA-N 0 3 324.449 4.066 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC(c2ccccc2F)CC1 ZINC001233080981 1054182305 /nfs/dbraw/zinc/18/23/05/1054182305.db2.gz JBHSJQKVLOTMDO-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C=CCN(Cc1ccc(N(C)C)c(C#N)c1F)C1CCCCC1 ZINC001233102831 1054186123 /nfs/dbraw/zinc/18/61/23/1054186123.db2.gz PCAVBHOBGMSOCA-UHFFFAOYSA-N 0 3 315.436 4.084 20 30 DIEDHN N#CC(C(=O)CC1(C(F)(F)F)CC1)c1ccc2ccccc2n1 ZINC001343775263 1054452216 /nfs/dbraw/zinc/45/22/16/1054452216.db2.gz CXBWHQYMUUDMDR-GFCCVEGCSA-N 0 3 318.298 4.144 20 30 DIEDHN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)c1cccc(F)n1 ZINC001344073164 1054463516 /nfs/dbraw/zinc/46/35/16/1054463516.db2.gz UTYNAOLIQZZDPI-QGZVFWFLSA-N 0 3 322.383 4.297 20 30 DIEDHN Cc1ccccc1N(C)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC001234250232 1054473638 /nfs/dbraw/zinc/47/36/38/1054473638.db2.gz FPULMYRDNRNVRJ-UHFFFAOYSA-N 0 3 319.452 4.499 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC001346095494 1054527648 /nfs/dbraw/zinc/52/76/48/1054527648.db2.gz FHTKUABUQMULSE-KRWDZBQOSA-N 0 3 323.440 4.010 20 30 DIEDHN CC1=C(C)C[C@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001346763734 1054549435 /nfs/dbraw/zinc/54/94/35/1054549435.db2.gz LJIRIGDUORWGDW-SUMWQHHRSA-N 0 3 304.340 4.063 20 30 DIEDHN N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234997131 1054642016 /nfs/dbraw/zinc/64/20/16/1054642016.db2.gz TYBHEXKZWRDFFO-INIZCTEOSA-N 0 3 306.409 4.185 20 30 DIEDHN N#CC[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234997131 1054642020 /nfs/dbraw/zinc/64/20/20/1054642020.db2.gz TYBHEXKZWRDFFO-INIZCTEOSA-N 0 3 306.409 4.185 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1C)c1ccccc1 ZINC000180037430 1054728592 /nfs/dbraw/zinc/72/85/92/1054728592.db2.gz OCYKJWPDYSXJMW-LJQANCHMSA-N 0 3 308.425 4.231 20 30 DIEDHN C#CC1CCN(Cc2ccc(OCc3ccccc3)c(F)c2)CC1 ZINC001235772221 1054803543 /nfs/dbraw/zinc/80/35/43/1054803543.db2.gz ATLSBVZBSGZBJA-UHFFFAOYSA-N 0 3 323.411 4.250 20 30 DIEDHN C#C[C@H](N[C@H]1CC[C@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547411 1054823166 /nfs/dbraw/zinc/82/31/66/1054823166.db2.gz ZSSNJRQZDJSCHX-JYJNAYRXSA-N 0 3 306.247 4.148 20 30 DIEDHN C=CC(C)(C)CCN[C@H](C)c1ncc(Br)cc1F ZINC000624037331 1054862010 /nfs/dbraw/zinc/86/20/10/1054862010.db2.gz WFIVLFKPSOJXNE-SNVBAGLBSA-N 0 3 315.230 4.236 20 30 DIEDHN Cc1nc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1C#N ZINC001236231257 1055021588 /nfs/dbraw/zinc/02/15/88/1055021588.db2.gz HMUBOFQTDGTQOC-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)ncc1C#N ZINC001236234203 1055025366 /nfs/dbraw/zinc/02/53/66/1055025366.db2.gz YQMSEXUJKCUSSU-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cnc(-c2ccc(CN3CCCCC3)c(F)c2)cc1C#N ZINC001236245930 1055029229 /nfs/dbraw/zinc/02/92/29/1055029229.db2.gz WNYRECKWZKRYIF-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN CCCCCCCCN(C)Cc1cccc(C(=O)OCC)n1 ZINC001236644641 1055211251 /nfs/dbraw/zinc/21/12/51/1055211251.db2.gz KABJYQIIYQILJN-UHFFFAOYSA-N 0 3 306.450 4.051 20 30 DIEDHN C=CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCCCC1 ZINC001587781623 1055365204 /nfs/dbraw/zinc/36/52/04/1055365204.db2.gz NFRABZUHLFPPHR-UHFFFAOYSA-N 0 3 300.446 4.213 20 30 DIEDHN C=CCCCC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114856 1055376280 /nfs/dbraw/zinc/37/62/80/1055376280.db2.gz NKKOSXNFKIKCQS-UHFFFAOYSA-N 0 3 303.324 4.079 20 30 DIEDHN C=CCCCC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114856 1055376291 /nfs/dbraw/zinc/37/62/91/1055376291.db2.gz NKKOSXNFKIKCQS-UHFFFAOYSA-N 0 3 303.324 4.079 20 30 DIEDHN C=CCN(CC=C)Cc1cccc2cc(Br)cnc21 ZINC001237135730 1055380698 /nfs/dbraw/zinc/38/06/98/1055380698.db2.gz MYMKGFMZXKDDOH-UHFFFAOYSA-N 0 3 317.230 4.171 20 30 DIEDHN COc1ccc2c(c1)nccc2N[C@@H](C)c1ccc(C#N)cc1 ZINC000765468291 1055395411 /nfs/dbraw/zinc/39/54/11/1055395411.db2.gz NKRVNBHGBGRIBN-ZDUSSCGKSA-N 0 3 303.365 4.288 20 30 DIEDHN C#Cc1cccc(CN2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)c1 ZINC001237250095 1055410704 /nfs/dbraw/zinc/41/07/04/1055410704.db2.gz RZSJALKFONETNX-ICSRJNTNSA-N 0 3 322.839 4.105 20 30 DIEDHN C#Cc1cccc(CN2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)c1 ZINC001237250097 1055410806 /nfs/dbraw/zinc/41/08/06/1055410806.db2.gz RZSJALKFONETNX-QUCCMNQESA-N 0 3 322.839 4.105 20 30 DIEDHN COc1ccc(-c2ccccc2)c(CN2CCC(C#N)CC2)c1 ZINC001237313839 1055424817 /nfs/dbraw/zinc/42/48/17/1055424817.db2.gz OFQGQTOZFSJMKF-UHFFFAOYSA-N 0 3 306.409 4.098 20 30 DIEDHN C[C@H]1c2ccccc2CCN1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464576 1055455649 /nfs/dbraw/zinc/45/56/49/1055455649.db2.gz FKXOOFGTZWQFRU-HNNXBMFYSA-N 0 3 315.420 4.169 20 30 DIEDHN Cn1cc(CN2CCC[C@@H]3CCCC[C@H]32)c2cc(C#N)ccc21 ZINC001237471796 1055457856 /nfs/dbraw/zinc/45/78/56/1055457856.db2.gz ZQGVQENDGSGREK-QFBILLFUSA-N 0 3 307.441 4.205 20 30 DIEDHN Cn1cc(CN2CC[C@H]3CCCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237472088 1055459355 /nfs/dbraw/zinc/45/93/55/1055459355.db2.gz DUXBSPPCZXZSPF-IAGOWNOFSA-N 0 3 307.441 4.062 20 30 DIEDHN N#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237645260 1055494466 /nfs/dbraw/zinc/49/44/66/1055494466.db2.gz IHCJLFRJRGVNEP-HNNXBMFYSA-N 0 3 324.399 4.324 20 30 DIEDHN N#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237645260 1055494471 /nfs/dbraw/zinc/49/44/71/1055494471.db2.gz IHCJLFRJRGVNEP-HNNXBMFYSA-N 0 3 324.399 4.324 20 30 DIEDHN C=CCC[C@@H](NCc1cnc(N(C)C)s1)c1ccccc1 ZINC001620868356 1055495783 /nfs/dbraw/zinc/49/57/83/1055495783.db2.gz AFLLREHUIYEWMC-MRXNPFEDSA-N 0 3 301.459 4.006 20 30 DIEDHN CC1(C#N)CCN(Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237919094 1055557685 /nfs/dbraw/zinc/55/76/85/1055557685.db2.gz DEWRZPYUUZFBFZ-UHFFFAOYSA-N 0 3 320.436 4.391 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237922211 1055561350 /nfs/dbraw/zinc/56/13/50/1055561350.db2.gz FIXVCGAJFSNDJJ-GOSISDBHSA-N 0 3 320.436 4.391 20 30 DIEDHN Cc1cc(F)cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1[O-] ZINC001238067282 1055600326 /nfs/dbraw/zinc/60/03/26/1055600326.db2.gz NCZNDZAVSLFISV-UHFFFAOYSA-N 0 3 324.399 4.091 20 30 DIEDHN CCN(Cc1cccc(OC)c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191259 1055617824 /nfs/dbraw/zinc/61/78/24/1055617824.db2.gz KWTIQHSVUUDGHX-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238203703 1055620434 /nfs/dbraw/zinc/62/04/34/1055620434.db2.gz OXRHDEHZHYTEOV-UHFFFAOYSA-N 0 3 303.409 4.265 20 30 DIEDHN CCN(Cc1ccc(C)c(C)c1)Cc1ccc(C#N)c(OC)c1 ZINC001238416582 1055653767 /nfs/dbraw/zinc/65/37/67/1055653767.db2.gz OYSCMEJGCONRKS-UHFFFAOYSA-N 0 3 308.425 4.206 20 30 DIEDHN N#C[C@H]1CCCN(Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238558382 1055686995 /nfs/dbraw/zinc/68/69/95/1055686995.db2.gz MYIVTWUTLFFPFH-HNNXBMFYSA-N 0 3 309.388 4.013 20 30 DIEDHN C=Cc1ccc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)cc1 ZINC001168577572 1055734274 /nfs/dbraw/zinc/73/42/74/1055734274.db2.gz FWMQGBPDBQAGOU-HYARGMPZSA-N 0 3 304.397 4.035 20 30 DIEDHN CCc1cc(CN(CC)Cc2cccc(OC)c2)ccc1C#N ZINC001238770072 1055744435 /nfs/dbraw/zinc/74/44/35/1055744435.db2.gz XDJJAZSBBADMJZ-UHFFFAOYSA-N 0 3 308.425 4.151 20 30 DIEDHN CCc1cc(CN2CCC[C@@H]2c2cccc(OC)c2)ccc1C#N ZINC001238777673 1055748173 /nfs/dbraw/zinc/74/81/73/1055748173.db2.gz FSTIUXAVPSWCIF-OAQYLSRUSA-N 0 3 320.436 4.466 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cc(Cl)cc(C#N)c1 ZINC001168581810 1055784949 /nfs/dbraw/zinc/78/49/49/1055784949.db2.gz ZNFILLPMOVPAAP-UHFFFAOYSA-N 0 3 300.789 4.035 20 30 DIEDHN N#Cc1ccc(CCNCc2ncc(-c3ccccc3)s2)cc1 ZINC001621004158 1055971388 /nfs/dbraw/zinc/97/13/88/1055971388.db2.gz LKMBVXVZFKBXAQ-UHFFFAOYSA-N 0 3 319.433 4.014 20 30 DIEDHN C=CCCCN(CC)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001620646529 1055976636 /nfs/dbraw/zinc/97/66/36/1055976636.db2.gz DKZJMBMOTRFYOB-UHFFFAOYSA-N 0 3 315.244 4.220 20 30 DIEDHN CCCCCCCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001620699449 1055981270 /nfs/dbraw/zinc/98/12/70/1055981270.db2.gz XOFAVRMHKIFUKS-UHFFFAOYSA-N 0 3 324.831 4.120 20 30 DIEDHN C=CC[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC001620800055 1055994180 /nfs/dbraw/zinc/99/41/80/1055994180.db2.gz WLOYQIZBUOSYIW-INIZCTEOSA-N 0 3 322.330 4.387 20 30 DIEDHN C=C(C)CN(CCc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC001621327217 1056034873 /nfs/dbraw/zinc/03/48/73/1056034873.db2.gz MCJLEHXRFUEFFD-UHFFFAOYSA-N 0 3 319.832 4.046 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000131560808 1056125367 /nfs/dbraw/zinc/12/53/67/1056125367.db2.gz HJCFZRMCUAGSAX-WBMJQRKESA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000131560808 1056125374 /nfs/dbraw/zinc/12/53/74/1056125374.db2.gz HJCFZRMCUAGSAX-WBMJQRKESA-N 0 3 324.380 4.063 20 30 DIEDHN N#Cc1c(F)cc(-c2ccc(F)c(CN3CCCC3)c2)cc1F ZINC001239930933 1056167836 /nfs/dbraw/zinc/16/78/36/1056167836.db2.gz BVJIPWVNXMTNBB-UHFFFAOYSA-N 0 3 316.326 4.238 20 30 DIEDHN CCN(CC)Cc1cccc(-c2cc(F)c(C#N)c(F)c2)c1F ZINC001239930980 1056167956 /nfs/dbraw/zinc/16/79/56/1056167956.db2.gz COVUCJBAUSGAEI-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN N#Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)cs1 ZINC000921685122 1056264894 /nfs/dbraw/zinc/26/48/94/1056264894.db2.gz UHYAEIQILYKHSM-KRWDZBQOSA-N 0 3 300.402 4.390 20 30 DIEDHN CCCc1ccc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)cc1 ZINC001168635570 1056274474 /nfs/dbraw/zinc/27/44/74/1056274474.db2.gz NFZVPUWEIRSRGI-HZHRSRAPSA-N 0 3 320.440 4.344 20 30 DIEDHN COc1ccc(C2(NCc3csc(C#N)c3)CCCC2)cc1 ZINC000921746998 1056458684 /nfs/dbraw/zinc/45/86/84/1056458684.db2.gz QRLAYFIRZBJKPX-UHFFFAOYSA-N 0 3 312.438 4.187 20 30 DIEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)CC1CCC1 ZINC001615246432 1056482811 /nfs/dbraw/zinc/48/28/11/1056482811.db2.gz XPDKKJHIXRSBGN-UHFFFAOYSA-N 0 3 320.436 4.369 20 30 DIEDHN CCCCCCCCCN1CCN(c2ccccc2C#N)CC1 ZINC001615379481 1056500132 /nfs/dbraw/zinc/50/01/32/1056500132.db2.gz UCBXIFXSYALLCD-UHFFFAOYSA-N 0 3 313.489 4.431 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1csc(C#N)c1 ZINC000921818818 1056514851 /nfs/dbraw/zinc/51/48/51/1056514851.db2.gz YYOYHVFGXKFZIQ-APPDUMDISA-N 0 3 300.402 4.172 20 30 DIEDHN CC(C)[C@H]1CCCCN1Cc1cc(C#N)ccc1Br ZINC001615520162 1056522730 /nfs/dbraw/zinc/52/27/30/1056522730.db2.gz QZNQBRALRFAAPM-MRXNPFEDSA-N 0 3 321.262 4.331 20 30 DIEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cccc(C#N)c1F ZINC001615510979 1056528180 /nfs/dbraw/zinc/52/81/80/1056528180.db2.gz ZRHGZNLBDUEFCV-CYBMUJFWSA-N 0 3 316.807 4.414 20 30 DIEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001615601352 1056542585 /nfs/dbraw/zinc/54/25/85/1056542585.db2.gz SKTSKRANYYXADV-OAHLLOKOSA-N 0 3 322.880 4.023 20 30 DIEDHN CCC[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1[O-] ZINC001615686792 1056565646 /nfs/dbraw/zinc/56/56/46/1056565646.db2.gz VLLUTHYAKWSTTF-UHFFFAOYSA-N 0 3 300.446 4.468 20 30 DIEDHN CCC[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1[O-] ZINC001615686792 1056565656 /nfs/dbraw/zinc/56/56/56/1056565656.db2.gz VLLUTHYAKWSTTF-UHFFFAOYSA-N 0 3 300.446 4.468 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001616700477 1056705083 /nfs/dbraw/zinc/70/50/83/1056705083.db2.gz UUHOQBWNYXRCEF-JKSUJKDBSA-N 0 3 310.482 4.063 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700613 1056705587 /nfs/dbraw/zinc/70/55/87/1056705587.db2.gz XCJJERGLRKHJOD-HOTGVXAUSA-N 0 3 303.446 4.327 20 30 DIEDHN CC#CCN[C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001616728724 1056707720 /nfs/dbraw/zinc/70/77/20/1056707720.db2.gz FOPUTBJJBKPUQN-OAQYLSRUSA-N 0 3 307.437 4.209 20 30 DIEDHN Cc1nc2c(s1)[C@H](NCc1c(C)cc(C#N)cc1C)CCC2 ZINC000921981306 1056712228 /nfs/dbraw/zinc/71/22/28/1056712228.db2.gz SRTHJEITERCKJV-MRXNPFEDSA-N 0 3 311.454 4.107 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC001617056050 1056767369 /nfs/dbraw/zinc/76/73/69/1056767369.db2.gz XWKNYRPUZTUHQQ-MRXNPFEDSA-N 0 3 307.412 4.407 20 30 DIEDHN Cc1ccc2ncc(CN[C@H](C)c3ccc(C#N)cc3)cc2c1 ZINC001617881482 1056896402 /nfs/dbraw/zinc/89/64/02/1056896402.db2.gz JLXBBQMXXMWTTB-OAHLLOKOSA-N 0 3 301.393 4.266 20 30 DIEDHN C=CCc1cc(CNCc2cc(C)cc(C)c2)cc(OC)c1O ZINC000657625744 1057001776 /nfs/dbraw/zinc/00/17/76/1057001776.db2.gz FMNXFXDRYLMYME-UHFFFAOYSA-N 0 3 311.425 4.036 20 30 DIEDHN CC(C)[C@H](c1ccccc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093361635 1057037016 /nfs/dbraw/zinc/03/70/16/1057037016.db2.gz JVKZZCNAGNJAFD-HXUWFJFHSA-N 0 3 318.424 4.035 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(C#N)cc2OC)ccc1F ZINC001241412075 1057044761 /nfs/dbraw/zinc/04/47/61/1057044761.db2.gz KURSGGNQKDWHOA-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN COc1ccc(CC#N)cc1C1=CCN(Cc2ccccc2)CC1 ZINC001241503757 1057073842 /nfs/dbraw/zinc/07/38/42/1057073842.db2.gz BEMKEYDPHDQCPU-UHFFFAOYSA-N 0 3 318.420 4.051 20 30 DIEDHN CC[NH+](CC)Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001241586397 1057099602 /nfs/dbraw/zinc/09/96/02/1057099602.db2.gz ZYCNIPLOUXAXMH-UDWIEESQSA-N 0 3 300.377 4.143 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018796 1057109806 /nfs/dbraw/zinc/10/98/06/1057109806.db2.gz HKNOLUKADFPSEI-AUUYWEPGSA-N 0 3 309.413 4.008 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccncc1 ZINC000766021829 1057121020 /nfs/dbraw/zinc/12/10/20/1057121020.db2.gz UXLUGGZKXCDVRX-OXJNMPFZSA-N 0 3 318.424 4.235 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1sc(CC)nc1C)c1ccncc1 ZINC000766022367 1057122966 /nfs/dbraw/zinc/12/29/66/1057122966.db2.gz RPRRCAPYXJPURP-IUODEOHRSA-N 0 3 301.459 4.377 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cc(F)cc(C#N)c3)c(C)c2)CC1 ZINC001241657063 1057124890 /nfs/dbraw/zinc/12/48/90/1057124890.db2.gz XJUFRUYBXXUBCB-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN CCN(CC)Cc1cc(-c2cc(F)cc(C#N)c2)ccc1F ZINC001241660309 1057126754 /nfs/dbraw/zinc/12/67/54/1057126754.db2.gz MIXKOIQVNXRZJR-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(C(F)F)nc2)cc1 ZINC000658009433 1057218803 /nfs/dbraw/zinc/21/88/03/1057218803.db2.gz MEUVOLIEZGYERI-ZDUSSCGKSA-N 0 3 318.367 4.435 20 30 DIEDHN COc1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1C#N ZINC001242299738 1057326412 /nfs/dbraw/zinc/32/64/12/1057326412.db2.gz WETVWIUYUPWSJO-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000174430209 1057360351 /nfs/dbraw/zinc/36/03/51/1057360351.db2.gz PXGHQWSKAIPODM-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(F)cc2C#N)c1F ZINC001242583854 1057415051 /nfs/dbraw/zinc/41/50/51/1057415051.db2.gz JWJJOEWFJZCAAO-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN C=CCC[C@@H](NCc1cnnn1-c1ccccc1)c1ccccc1 ZINC000676424450 1057470498 /nfs/dbraw/zinc/47/04/98/1057470498.db2.gz NFADBEHZBKRLSQ-HXUWFJFHSA-N 0 3 318.424 4.064 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC000923026775 1057521466 /nfs/dbraw/zinc/52/14/66/1057521466.db2.gz XJDGTBMSWXTCCL-OAQYLSRUSA-N 0 3 320.436 4.275 20 30 DIEDHN N#Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000611382714 1057593705 /nfs/dbraw/zinc/59/37/05/1057593705.db2.gz NETAPCZHNWKALW-LJQANCHMSA-N 0 3 309.388 4.113 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccc(C#N)c1 ZINC000611388665 1057594202 /nfs/dbraw/zinc/59/42/02/1057594202.db2.gz RHCQEZIRAMAARL-OAHLLOKOSA-N 0 3 303.409 4.210 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000611395482 1057596061 /nfs/dbraw/zinc/59/60/61/1057596061.db2.gz DEMRTARPNGDOOH-LJQANCHMSA-N 0 3 306.409 4.198 20 30 DIEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)c2ccccc2n1 ZINC000611396096 1057597512 /nfs/dbraw/zinc/59/75/12/1057597512.db2.gz QQNIXJQWDPZYDF-UHFFFAOYSA-N 0 3 313.404 4.194 20 30 DIEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434124 1057599098 /nfs/dbraw/zinc/59/90/98/1057599098.db2.gz PADNPMBSGUBUBL-UUWFMWQGSA-N 0 3 311.816 4.094 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC1(c2cccc(F)c2)CC1 ZINC000611474626 1057602458 /nfs/dbraw/zinc/60/24/58/1057602458.db2.gz RZDACORFECMFBS-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN CC(C)(C)SCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416548 1057713612 /nfs/dbraw/zinc/71/36/12/1057713612.db2.gz FPTZMIWZOZFYEB-SNVBAGLBSA-N 0 3 322.430 4.143 20 30 DIEDHN CCN(Cc1ccc(OCC#N)cc1)Cc1cccc(Cl)c1 ZINC000731211577 1057738320 /nfs/dbraw/zinc/73/83/20/1057738320.db2.gz PAOJXDGPVDHYDS-UHFFFAOYSA-N 0 3 314.816 4.264 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(OC)cc2C#N)ccc1F ZINC001243732362 1057765239 /nfs/dbraw/zinc/76/52/39/1057765239.db2.gz QAMRHWBPCPVBNG-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN C#CCOc1ccc(CNCc2csc3ccccc23)cc1 ZINC000733324730 1057812775 /nfs/dbraw/zinc/81/27/75/1057812775.db2.gz WRZJYYIQNRREPT-UHFFFAOYSA-N 0 3 307.418 4.203 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(OC)c(C#N)c2)c1F ZINC001244711041 1058033478 /nfs/dbraw/zinc/03/34/78/1058033478.db2.gz SQEXXWAPGMQDIA-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN COc1ccc(-c2cccc(C#N)c2F)c(CN2CCCCC2)c1 ZINC001245073061 1058106953 /nfs/dbraw/zinc/10/69/53/1058106953.db2.gz ZCEGPPLYPWLPHG-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN CCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001278434997 1058732403 /nfs/dbraw/zinc/73/24/03/1058732403.db2.gz AMBFLHGBYAUKAO-CALCHBBNSA-N 0 3 321.534 4.071 20 30 DIEDHN CCCCCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001529585028 1058768002 /nfs/dbraw/zinc/76/80/02/1058768002.db2.gz IWUYZFPZLWLVBS-UHFFFAOYSA-N 0 3 308.510 4.070 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001558349533 1058861759 /nfs/dbraw/zinc/86/17/59/1058861759.db2.gz SBNYAOHSFJCIFT-CEXWTWQISA-N 0 3 322.537 4.458 20 30 DIEDHN C=CCN(CC(=O)N(C(C)C)C1CCCC1)CC1CCCCC1 ZINC001559538001 1059341611 /nfs/dbraw/zinc/34/16/11/1059341611.db2.gz LVSJJTNFSAGHMK-UHFFFAOYSA-N 0 3 320.521 4.234 20 30 DIEDHN CC(C)C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001559542424 1059344632 /nfs/dbraw/zinc/34/46/32/1059344632.db2.gz VLQYSUMQJSLKRR-UHFFFAOYSA-N 0 3 309.375 4.425 20 30 DIEDHN CCCCC[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559650509 1059480105 /nfs/dbraw/zinc/48/01/05/1059480105.db2.gz GYGOEXUTZMTSKN-MRXNPFEDSA-N 0 3 301.390 4.011 20 30 DIEDHN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccc(CC#N)cc1 ZINC001559658182 1059490029 /nfs/dbraw/zinc/49/00/29/1059490029.db2.gz CGHMOYVAINMQGV-GJZGRUSLSA-N 0 3 308.400 4.400 20 30 DIEDHN N#Cc1cncc(CN2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001559661870 1059494299 /nfs/dbraw/zinc/49/42/99/1059494299.db2.gz IQDWFSYQGKBJCR-IBGZPJMESA-N 0 3 319.452 4.188 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC001532310991 1059584332 /nfs/dbraw/zinc/58/43/32/1059584332.db2.gz GTVYGLOEHCYLQW-IAGOWNOFSA-N 0 3 310.526 4.362 20 30 DIEDHN C#CCCCCCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC001559771798 1059606295 /nfs/dbraw/zinc/60/62/95/1059606295.db2.gz HFBQGVUBLMMIJZ-KRWDZBQOSA-N 0 3 304.503 4.010 20 30 DIEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775695 1059613203 /nfs/dbraw/zinc/61/32/03/1059613203.db2.gz MLLNPTAWFZDSJX-DLBZAZTESA-N 0 3 320.864 4.285 20 30 DIEDHN C=CC[C@H]1N(Cc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001559796984 1059632842 /nfs/dbraw/zinc/63/28/42/1059632842.db2.gz CODPXQCKAPAPAH-QGZVFWFLSA-N 0 3 318.417 4.170 20 30 DIEDHN CCCCCCCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001559796129 1059633091 /nfs/dbraw/zinc/63/30/91/1059633091.db2.gz ZJHHQSPUIPUJFM-QGZVFWFLSA-N 0 3 317.539 4.026 20 30 DIEDHN CCCCCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001559873406 1059691619 /nfs/dbraw/zinc/69/16/19/1059691619.db2.gz QLMVUWRPTJXXMN-RTBURBONSA-N 0 3 307.453 4.147 20 30 DIEDHN C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1Br ZINC001559903937 1059719808 /nfs/dbraw/zinc/71/98/08/1059719808.db2.gz RQUHJOMORNEWCO-NSHDSACASA-N 0 3 307.235 4.084 20 30 DIEDHN C=CCCCCN1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001559991197 1059799019 /nfs/dbraw/zinc/79/90/19/1059799019.db2.gz LUWTVCRVWSAAMO-GOSISDBHSA-N 0 3 315.457 4.284 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC001560015771 1059822342 /nfs/dbraw/zinc/82/23/42/1059822342.db2.gz NPIKIWVDOJARAG-MRXNPFEDSA-N 0 3 320.436 4.351 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(C(F)(F)F)cc1 ZINC001560017595 1059832135 /nfs/dbraw/zinc/83/21/35/1059832135.db2.gz NXNPXXDANNMOLA-CALCHBBNSA-N 0 3 305.343 4.240 20 30 DIEDHN CC(C)(NCc1cncc(C#N)c1)c1ccc2ccccc2c1 ZINC001560041105 1059851063 /nfs/dbraw/zinc/85/10/63/1059851063.db2.gz HIIJGIWGTWLEBO-UHFFFAOYSA-N 0 3 301.393 4.131 20 30 DIEDHN CC[C@H](NCc1c(C)cc(C#N)cc1C)c1ccccc1OC ZINC001560088073 1059899935 /nfs/dbraw/zinc/89/99/35/1059899935.db2.gz WNRVVMSRTNITJN-IBGZPJMESA-N 0 3 308.425 4.425 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248766873 1059973319 /nfs/dbraw/zinc/97/33/19/1059973319.db2.gz KMTYMWVSKHYGDA-UHFFFAOYSA-N 0 3 317.436 4.275 20 30 DIEDHN C=CCOc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC001560305152 1060093469 /nfs/dbraw/zinc/09/34/69/1060093469.db2.gz UOZILKSBIKUCQC-IBGZPJMESA-N 0 3 309.409 4.255 20 30 DIEDHN C=C(CNCc1ccc2ccc(F)c(F)c2n1)c1ccccc1 ZINC001560315268 1060101060 /nfs/dbraw/zinc/10/10/60/1060101060.db2.gz XIOBZLKHBNLESA-UHFFFAOYSA-N 0 3 310.347 4.316 20 30 DIEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc2ccccc2c1 ZINC001560315144 1060101801 /nfs/dbraw/zinc/10/18/01/1060101801.db2.gz RWMDYRINAMIEGI-UHFFFAOYSA-N 0 3 315.420 4.067 20 30 DIEDHN C=CCOc1ccccc1CNCc1cccc2cnccc21 ZINC001560337498 1060122286 /nfs/dbraw/zinc/12/22/86/1060122286.db2.gz KMWMCRWHWZJVKA-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN C=CC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC001560338635 1060126246 /nfs/dbraw/zinc/12/62/46/1060126246.db2.gz GMHPGCRWHHUMEC-OAQYLSRUSA-N 0 3 321.468 4.479 20 30 DIEDHN CCN(Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccc(OC)c1 ZINC001249429425 1060249704 /nfs/dbraw/zinc/24/97/04/1060249704.db2.gz BCVOKKYATBBFGS-UHFFFAOYSA-N 0 3 319.408 4.070 20 30 DIEDHN N#Cc1ccc2cc(CN(Cc3ccccc3)C3CC3)[nH]c2c1 ZINC001249429525 1060249761 /nfs/dbraw/zinc/24/97/61/1060249761.db2.gz FVXLUFNQSJDAPR-UHFFFAOYSA-N 0 3 301.393 4.204 20 30 DIEDHN C=C(C)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001560469664 1060257266 /nfs/dbraw/zinc/25/72/66/1060257266.db2.gz JYFVTNVPWQJXOZ-UHFFFAOYSA-N 0 3 311.385 4.028 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(F)cc2C(F)(F)F)c1 ZINC001560503685 1060299442 /nfs/dbraw/zinc/29/94/42/1060299442.db2.gz VCLDMHAPSPMRRC-UHFFFAOYSA-N 0 3 307.290 4.116 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)CCCO2 ZINC001560645815 1060467309 /nfs/dbraw/zinc/46/73/09/1060467309.db2.gz GBHHVNFLFYAZRJ-UHFFFAOYSA-N 0 3 323.436 4.208 20 30 DIEDHN C#Cc1ccc(CN2CCC(Oc3cc(C)ccc3C)CC2)cc1 ZINC001560658667 1060484864 /nfs/dbraw/zinc/48/48/64/1060484864.db2.gz GHXMKWUJXFSZCN-UHFFFAOYSA-N 0 3 319.448 4.328 20 30 DIEDHN C=CCN(C/C=C/c1ccc(N(C)C)cc1)CCc1ccco1 ZINC001560708229 1060563864 /nfs/dbraw/zinc/56/38/64/1060563864.db2.gz DXQFJDJESUJSBI-FNORWQNLSA-N 0 3 310.441 4.090 20 30 DIEDHN N#Cc1ccccc1Cc1ccc(CN2CCCCC2)c(F)c1 ZINC001250047862 1060566434 /nfs/dbraw/zinc/56/64/34/1060566434.db2.gz VGZLMEYFFZIIKK-UHFFFAOYSA-N 0 3 308.400 4.274 20 30 DIEDHN N#Cc1cccc(Cc2cccc(CN3CCCCC3)c2F)c1 ZINC001250050779 1060568195 /nfs/dbraw/zinc/56/81/95/1060568195.db2.gz JTKWVGIQCJPYHQ-UHFFFAOYSA-N 0 3 308.400 4.274 20 30 DIEDHN C#C[C@@H](N[C@@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854240 1060712011 /nfs/dbraw/zinc/71/20/11/1060712011.db2.gz DQZQGCTYLCTMIC-BLLLJJGKSA-N 0 3 306.247 4.292 20 30 DIEDHN C#C[C@H](NCCCC(F)(F)F)c1ccc(Br)cc1 ZINC001560854250 1060712206 /nfs/dbraw/zinc/71/22/06/1060712206.db2.gz DTUBYQYEYTYXSQ-LBPRGKRZSA-N 0 3 320.152 4.056 20 30 DIEDHN C#C[C@H](N[C@@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854241 1060712606 /nfs/dbraw/zinc/71/26/06/1060712606.db2.gz DQZQGCTYLCTMIC-LRDDRELGSA-N 0 3 306.247 4.292 20 30 DIEDHN N#CC1(CN[C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891125 1060752977 /nfs/dbraw/zinc/75/29/77/1060752977.db2.gz ZGOOXYNDIUKCKK-BBRMVZONSA-N 0 3 322.374 4.414 20 30 DIEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891127 1060755011 /nfs/dbraw/zinc/75/50/11/1060755011.db2.gz ZGOOXYNDIUKCKK-CZUORRHYSA-N 0 3 322.374 4.414 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC001560922916 1060789041 /nfs/dbraw/zinc/78/90/41/1060789041.db2.gz LSIWOIKLWCZVDS-ZDUSSCGKSA-N 0 3 302.443 4.093 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035860 1060888769 /nfs/dbraw/zinc/88/87/69/1060888769.db2.gz LCIHGSMMPXNQOE-HBFSDRIKSA-N 0 3 305.425 4.037 20 30 DIEDHN CCCCO[C@@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260051 1061032949 /nfs/dbraw/zinc/03/29/49/1061032949.db2.gz PRPYIWGAZUACPU-RTBURBONSA-N 0 3 317.448 4.093 20 30 DIEDHN N#CCC1(CN2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC001473290204 1061063413 /nfs/dbraw/zinc/06/34/13/1061063413.db2.gz XIFCADPLZGYWAR-FQEVSTJZSA-N 0 3 302.421 4.480 20 30 DIEDHN C#CC[C@@H](NCc1cnc(OC)c2ccccc12)c1ccccc1 ZINC001473331915 1061092490 /nfs/dbraw/zinc/09/24/90/1061092490.db2.gz QGYBJEMRXAXUFO-HXUWFJFHSA-N 0 3 316.404 4.098 20 30 DIEDHN CC[C@H](NCC#Cc1ccccc1Cl)c1ccc(OC)cc1 ZINC001473337350 1061096880 /nfs/dbraw/zinc/09/68/80/1061096880.db2.gz GLKLBJVITCEKKZ-IBGZPJMESA-N 0 3 313.828 4.441 20 30 DIEDHN CC[C@@H](NCC#Cc1ccccc1Cl)c1ccc(OC)cc1 ZINC001473337351 1061097020 /nfs/dbraw/zinc/09/70/20/1061097020.db2.gz GLKLBJVITCEKKZ-LJQANCHMSA-N 0 3 313.828 4.441 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCCO2 ZINC001462365411 1061130785 /nfs/dbraw/zinc/13/07/85/1061130785.db2.gz SGSZMATWVSWADB-HNNXBMFYSA-N 0 3 306.409 4.076 20 30 DIEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440438 1061174078 /nfs/dbraw/zinc/17/40/78/1061174078.db2.gz NIPJNPUCHTWZTM-IAGOWNOFSA-N 0 3 304.478 4.178 20 30 DIEDHN C#C[C@@](C)(CC)NCc1ccc(OC)c(SC(F)(F)F)c1 ZINC001473489020 1061187101 /nfs/dbraw/zinc/18/71/01/1061187101.db2.gz VOQRTTMBROUTCM-AWEZNQCLSA-N 0 3 317.376 4.199 20 30 DIEDHN CC1(C)[C@@H](c2ccccc2)CCN1Cc1ccc(F)cc1C#N ZINC001473561591 1061249247 /nfs/dbraw/zinc/24/92/47/1061249247.db2.gz PSJCQIVZSKCXCS-LJQANCHMSA-N 0 3 308.400 4.465 20 30 DIEDHN C=C1CCC(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001462561874 1061260699 /nfs/dbraw/zinc/26/06/99/1061260699.db2.gz DAWUHXKANUTLTI-UHFFFAOYSA-N 0 3 324.262 4.299 20 30 DIEDHN CC[C@H](NCc1cccc(C#N)n1)c1cccc2ccccc21 ZINC001462596141 1061285290 /nfs/dbraw/zinc/28/52/90/1061285290.db2.gz ZFVLMLVSNGLLRM-FQEVSTJZSA-N 0 3 301.393 4.347 20 30 DIEDHN C#CCCCCCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC001473657970 1061319961 /nfs/dbraw/zinc/31/99/61/1061319961.db2.gz CPXSYXBIQNNLDT-HNNXBMFYSA-N 0 3 314.256 4.200 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](c1cccc(C)c1)C(C)C ZINC001473702574 1061354832 /nfs/dbraw/zinc/35/48/32/1061354832.db2.gz JRTHFNWGZKEUPE-FQEVSTJZSA-N 0 3 308.425 4.362 20 30 DIEDHN CC[C@](C)(NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC001473705576 1061357292 /nfs/dbraw/zinc/35/72/92/1061357292.db2.gz CGOVLKDKXYYZTG-SFHVURJKSA-N 0 3 300.352 4.251 20 30 DIEDHN Clc1cccc(C#CCN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC001473727356 1061377654 /nfs/dbraw/zinc/37/76/54/1061377654.db2.gz FNQVFUYDMYUXKJ-LJQANCHMSA-N 0 3 317.860 4.115 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC001473857558 1061436198 /nfs/dbraw/zinc/43/61/98/1061436198.db2.gz WKCNFJNBALMDBR-OAHLLOKOSA-N 0 3 306.356 4.090 20 30 DIEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001473861535 1061437153 /nfs/dbraw/zinc/43/71/53/1061437153.db2.gz AXMVMUVTYLUEDL-GFCCVEGCSA-N 0 3 312.816 4.094 20 30 DIEDHN N#Cc1ccc(Br)c(CNCCCC2CCCC2)c1 ZINC001473908982 1061455557 /nfs/dbraw/zinc/45/55/57/1061455557.db2.gz SLAQEBLHJHPTLB-UHFFFAOYSA-N 0 3 321.262 4.381 20 30 DIEDHN CCCCCCCC[C@H](O)CN1CCc2cc(C#N)ccc2C1 ZINC001252124836 1061582004 /nfs/dbraw/zinc/58/20/04/1061582004.db2.gz TVVGTMOLCBPCMP-FQEVSTJZSA-N 0 3 314.473 4.028 20 30 DIEDHN CCCCCCCC[C@@H](O)CN1CCc2cc(C#N)ccc2C1 ZINC001252124837 1061583366 /nfs/dbraw/zinc/58/33/66/1061583366.db2.gz TVVGTMOLCBPCMP-HXUWFJFHSA-N 0 3 314.473 4.028 20 30 DIEDHN CCCCCCCC[C@H](O)CN[C@H](c1ccc(F)cn1)C1CC1 ZINC001252139721 1061597978 /nfs/dbraw/zinc/59/79/78/1061597978.db2.gz QZNRQOSAIKFXFX-HKUYNNGSSA-N 0 3 322.468 4.373 20 30 DIEDHN C=C[C@@](C)(O)CN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001252556261 1061664608 /nfs/dbraw/zinc/66/46/08/1061664608.db2.gz FOPSANGUGFLLIA-JKSUJKDBSA-N 0 3 313.363 4.169 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc(N(CC)c2ccccc2)cc1 ZINC001474120179 1061668370 /nfs/dbraw/zinc/66/83/70/1061668370.db2.gz IYBLGYMSYZXTQR-SFHVURJKSA-N 0 3 310.441 4.135 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CN[C@@H](C)c1cncnc1 ZINC001252987051 1061776024 /nfs/dbraw/zinc/77/60/24/1061776024.db2.gz QIMVQOGUDSATQM-FUHWJXTLSA-N 0 3 307.482 4.019 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1c(C)noc1C ZINC001252986627 1061776310 /nfs/dbraw/zinc/77/63/10/1061776310.db2.gz NMUVFJSHEHZWSN-QGZVFWFLSA-N 0 3 310.482 4.273 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cc(F)ccn1 ZINC001252984877 1061777433 /nfs/dbraw/zinc/77/74/33/1061777433.db2.gz BCLOAYKCKQENHN-SFHVURJKSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ccc(F)cn1 ZINC001252987165 1061779240 /nfs/dbraw/zinc/77/92/40/1061779240.db2.gz RFMWZBJVMLVNLQ-SFHVURJKSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ccnc(F)c1 ZINC001252987518 1061780714 /nfs/dbraw/zinc/78/07/14/1061780714.db2.gz UNSJITLHRFPSTR-QGZVFWFLSA-N 0 3 310.457 4.202 20 30 DIEDHN N#Cc1csc(CNC[C@@]2(Cc3ccccc3)C=CCCC2)n1 ZINC001474233982 1061795231 /nfs/dbraw/zinc/79/52/31/1061795231.db2.gz GZZNNRKHHPPIQJ-IBGZPJMESA-N 0 3 323.465 4.074 20 30 DIEDHN C=CCCCCCC[C@H](O)CN(C)Cc1ccccc1OC ZINC001253238277 1061836318 /nfs/dbraw/zinc/83/63/18/1061836318.db2.gz BTKLVXDDEKQKTR-SFHVURJKSA-N 0 3 305.462 4.015 20 30 DIEDHN C=CCCCCCC[C@H](O)CN(C)CCC(=O)c1cccs1 ZINC001253241690 1061840537 /nfs/dbraw/zinc/84/05/37/1061840537.db2.gz ZQBSWHPTYIFHJP-INIZCTEOSA-N 0 3 323.502 4.140 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H]1CCOc2c(F)cccc21 ZINC001253249332 1061849992 /nfs/dbraw/zinc/84/99/92/1061849992.db2.gz JMFNGSUBIDGVAR-MAUKXSAKSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H](c1cccnc1F)C1CC1 ZINC001253255398 1061857506 /nfs/dbraw/zinc/85/75/06/1061857506.db2.gz YGQLBEPISADLPM-SJLPKXTDSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](C)[C@H]2C)cc1OC ZINC001474333187 1061922273 /nfs/dbraw/zinc/92/22/73/1061922273.db2.gz WBDFUGAXXGCCRD-QWHCGFSZSA-N 0 3 309.837 4.144 20 30 DIEDHN N#CC1(c2ccccc2F)CCN(C2CCC(F)(F)CC2)CC1 ZINC001254229054 1062061123 /nfs/dbraw/zinc/06/11/23/1062061123.db2.gz FNZGYEHRSDRTAG-UHFFFAOYSA-N 0 3 322.374 4.261 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001459311907 1062081007 /nfs/dbraw/zinc/08/10/07/1062081007.db2.gz PVZVUZJOJPXJPO-UHFFFAOYSA-N 0 3 323.827 4.496 20 30 DIEDHN Cc1c2ccccc2sc1[C@@H](C)NCc1cccc(C#N)n1 ZINC001474418471 1062087981 /nfs/dbraw/zinc/08/79/81/1062087981.db2.gz NFAFCCYYQMCFLD-CYBMUJFWSA-N 0 3 307.422 4.327 20 30 DIEDHN C#CCN(Cc1ccc(N(C)CC)cc1)[C@H]1CCc2ccccc21 ZINC001459344273 1062100538 /nfs/dbraw/zinc/10/05/38/1062100538.db2.gz LVYXQPBJMYKINH-QFIPXVFZSA-N 0 3 318.464 4.265 20 30 DIEDHN C#CCN(C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCc2ccccc21 ZINC001459345347 1062101878 /nfs/dbraw/zinc/10/18/78/1062101878.db2.gz OGYCMZVZIFXYKX-FPOVZHCZSA-N 0 3 323.480 4.349 20 30 DIEDHN C=C(C)[C@H](N[C@@H]1C[C@@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450717 1062128608 /nfs/dbraw/zinc/12/86/08/1062128608.db2.gz VUIJQXADAKWYBK-ZACQAIPSSA-N 0 3 307.384 4.129 20 30 DIEDHN CC[C@@H]1c2ccccc2CCN1CCCOc1ccc(C#N)cc1 ZINC001459499679 1062169759 /nfs/dbraw/zinc/16/97/59/1062169759.db2.gz BVWMLAORVJPXHC-OAQYLSRUSA-N 0 3 320.436 4.337 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665923 1062223117 /nfs/dbraw/zinc/22/31/17/1062223117.db2.gz RQJDPULKQXITLG-GXTWGEPZSA-N 0 3 322.811 4.015 20 30 DIEDHN C=CCC[C@@H](CC)NCc1nc2cc(Br)ccc2o1 ZINC001474561035 1062263880 /nfs/dbraw/zinc/26/38/80/1062263880.db2.gz VWIKGBRMJTXRBT-GFCCVEGCSA-N 0 3 323.234 4.425 20 30 DIEDHN C=C(CN1CCCCC1)c1nnc(-c2ccc(C(C)C)cc2)o1 ZINC001254865245 1062268981 /nfs/dbraw/zinc/26/89/81/1062268981.db2.gz AMFBBHCGOTXVTA-UHFFFAOYSA-N 0 3 311.429 4.359 20 30 DIEDHN Cc1cc(CN2CC(c3ccccc3)(C(C)C)C2)ccc1C#N ZINC001474584700 1062291949 /nfs/dbraw/zinc/29/19/49/1062291949.db2.gz FUFHLDGLBDTJNH-UHFFFAOYSA-N 0 3 304.437 4.276 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614673 1062332926 /nfs/dbraw/zinc/33/29/26/1062332926.db2.gz YVQUSBRFWZLLGQ-SWLSCSKDSA-N 0 3 304.409 4.346 20 30 DIEDHN CC[C@@H](CC#N)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001255160868 1062343351 /nfs/dbraw/zinc/34/33/51/1062343351.db2.gz RGOCXSVGARGCIT-INIZCTEOSA-N 0 3 306.400 4.459 20 30 DIEDHN CC[C@@H](CC#N)NCC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001255160243 1062345229 /nfs/dbraw/zinc/34/52/29/1062345229.db2.gz GDEWCQADBGMFNF-INIZCTEOSA-N 0 3 321.415 4.102 20 30 DIEDHN CC[C@@H](CC#N)NC1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC001255160447 1062345911 /nfs/dbraw/zinc/34/59/11/1062345911.db2.gz KGMQRMZALPNZTI-HNNXBMFYSA-N 0 3 310.363 4.452 20 30 DIEDHN CC[C@H](CC#N)NCC1(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001255161102 1062346836 /nfs/dbraw/zinc/34/68/36/1062346836.db2.gz UNBVBMUHEWZAJB-OAHLLOKOSA-N 0 3 310.363 4.310 20 30 DIEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001459749162 1062357892 /nfs/dbraw/zinc/35/78/92/1062357892.db2.gz WFFVTKMYEGARQS-HUUCEWRRSA-N 0 3 302.487 4.003 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC(C)(c2ccccc2)CC1 ZINC001459782302 1062395968 /nfs/dbraw/zinc/39/59/68/1062395968.db2.gz XHZBDQKOKPQYSU-UHFFFAOYSA-N 0 3 320.436 4.121 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839337 1062438475 /nfs/dbraw/zinc/43/84/75/1062438475.db2.gz HDSCCBZQVLRIRN-CVEARBPZSA-N 0 3 303.446 4.183 20 30 DIEDHN CN(CCCCCOc1ccccc1)Cc1cc(C#N)cs1 ZINC001474726103 1062446929 /nfs/dbraw/zinc/44/69/29/1062446929.db2.gz JRSFTYVWMFOAAD-UHFFFAOYSA-N 0 3 314.454 4.301 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(F)c(F)c1 ZINC001459980374 1062541518 /nfs/dbraw/zinc/54/15/18/1062541518.db2.gz OBDNFNGFMFBSBY-OLUCIUBSSA-N 0 3 307.384 4.129 20 30 DIEDHN C=C(C)[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980791 1062542155 /nfs/dbraw/zinc/54/21/55/1062542155.db2.gz QZBCDAHOLZEKHI-PBHICJAKSA-N 0 3 307.384 4.273 20 30 DIEDHN CCCCCCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001460148653 1062667857 /nfs/dbraw/zinc/66/78/57/1062667857.db2.gz PNQGVXAVGNBXHJ-IAGOWNOFSA-N 0 3 310.526 4.314 20 30 DIEDHN C[C@@H](NCc1cncc(C#N)c1)c1ccc(F)c2ccccc21 ZINC001460175260 1062679375 /nfs/dbraw/zinc/67/93/75/1062679375.db2.gz MGSGZYPFJUJBDL-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN C#CC[C@H]1CCCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC001460288996 1062760600 /nfs/dbraw/zinc/76/06/00/1062760600.db2.gz HLCZXNZNZGZZNZ-KBPBESRZSA-N 0 3 306.247 4.245 20 30 DIEDHN N#Cc1ccc(Br)c(CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC001460299802 1062767573 /nfs/dbraw/zinc/76/75/73/1062767573.db2.gz LEWGIHSTYASLSO-BBRMVZONSA-N 0 3 319.246 4.085 20 30 DIEDHN C=CCN(Cc1ccc([C@@H](C)C(F)(F)F)cc1)[C@H](C)COC ZINC001460408992 1062841637 /nfs/dbraw/zinc/84/16/37/1062841637.db2.gz NWYYXGXQEZCQIC-ZIAGYGMSSA-N 0 3 315.379 4.375 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001471314817 1062959823 /nfs/dbraw/zinc/95/98/23/1062959823.db2.gz MHLPVCXNBFWGSN-LJQANCHMSA-N 0 3 316.489 4.046 20 30 DIEDHN C[C@H](Cc1ccccc1Br)NCC1(C#N)CCCC1 ZINC001256825165 1063003486 /nfs/dbraw/zinc/00/34/86/1063003486.db2.gz PRTWIQYEEBPCPN-CYBMUJFWSA-N 0 3 321.262 4.054 20 30 DIEDHN C[C@H](COCC1CCCCC1)NCC#Cc1ccc(Cl)cc1 ZINC001460811820 1063077017 /nfs/dbraw/zinc/07/70/17/1063077017.db2.gz ANXMRCVFFLEIPP-MRXNPFEDSA-N 0 3 319.876 4.267 20 30 DIEDHN C[C@H](NC1CCC(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC001257010689 1063078561 /nfs/dbraw/zinc/07/85/61/1063078561.db2.gz FTXYOBMDARMZRQ-IGEOTXOUSA-N 0 3 311.454 4.392 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cscc1Br ZINC001460885316 1063114219 /nfs/dbraw/zinc/11/42/19/1063114219.db2.gz DYWIUBISNACTMD-LBPRGKRZSA-N 0 3 300.265 4.441 20 30 DIEDHN COc1ccc2cc(CC[C@H](C)N3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001257285075 1063181241 /nfs/dbraw/zinc/18/12/41/1063181241.db2.gz MXOFVIGZNREWKP-KKSFZXQISA-N 0 3 322.452 4.405 20 30 DIEDHN C=C(CNCc1ccc(Br)c(F)c1)c1ccccc1 ZINC001461153905 1063296845 /nfs/dbraw/zinc/29/68/45/1063296845.db2.gz JVQOHPRICQZGJY-UHFFFAOYSA-N 0 3 320.205 4.391 20 30 DIEDHN CCCCCCCCCC[C@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC001257550248 1063333637 /nfs/dbraw/zinc/33/36/37/1063333637.db2.gz LRHWGKRPIUATCM-PMACEKPBSA-N 0 3 324.553 4.312 20 30 DIEDHN C=CC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccncc1 ZINC001461221009 1063343154 /nfs/dbraw/zinc/34/31/54/1063343154.db2.gz UEBGEZJRUOEBQM-GOSISDBHSA-N 0 3 305.425 4.289 20 30 DIEDHN C=CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccncc1 ZINC001461221012 1063343852 /nfs/dbraw/zinc/34/38/52/1063343852.db2.gz UEBGEZJRUOEBQM-SFHVURJKSA-N 0 3 305.425 4.289 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OC)c(Cl)c1)c1ccncc1 ZINC001461221155 1063344599 /nfs/dbraw/zinc/34/45/99/1063344599.db2.gz WLPGYOHTECCGNR-MRXNPFEDSA-N 0 3 302.805 4.151 20 30 DIEDHN C=CC[C@H](NCc1ccc(OC)c(Cl)c1)c1ccncc1 ZINC001461221152 1063344396 /nfs/dbraw/zinc/34/43/96/1063344396.db2.gz WLPGYOHTECCGNR-INIZCTEOSA-N 0 3 302.805 4.151 20 30 DIEDHN C=CCN(CCCOc1ccccc1C)Cc1cccc(C#N)c1 ZINC001473132398 1063441295 /nfs/dbraw/zinc/44/12/95/1063441295.db2.gz YKCZVKSSJXFJOT-UHFFFAOYSA-N 0 3 320.436 4.324 20 30 DIEDHN Fc1ccc(C#CCN2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC001473143393 1063449214 /nfs/dbraw/zinc/44/92/14/1063449214.db2.gz DRSJDNXNEPGYNC-HXUWFJFHSA-N 0 3 307.412 4.447 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cn(CC(F)(F)F)cn1 ZINC001258043362 1063475194 /nfs/dbraw/zinc/47/51/94/1063475194.db2.gz NSWDYBDBJBISSL-CYBMUJFWSA-N 0 3 305.388 4.284 20 30 DIEDHN CCCCCCCCC[C@@H](C)NCc1cc2n(n1)CCCO2 ZINC001258227796 1063569866 /nfs/dbraw/zinc/56/98/66/1063569866.db2.gz BCWDZWAMFBJVFW-MRXNPFEDSA-N 0 3 307.482 4.284 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OC(F)F)c(Cl)c2)c1 ZINC001461581127 1063591967 /nfs/dbraw/zinc/59/19/67/1063591967.db2.gz LBURLCNQBRGVLE-UHFFFAOYSA-N 0 3 321.754 4.213 20 30 DIEDHN CCCCCN(C)c1ccc(F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC001461595453 1063604235 /nfs/dbraw/zinc/60/42/35/1063604235.db2.gz RGTJNGCJIYCFMX-MAUKXSAKSA-N 0 3 317.452 4.234 20 30 DIEDHN C[C@H](CC(C)(C)SCc1ccco1)N1CC[C@](C)(C#N)C1 ZINC001258315084 1063604919 /nfs/dbraw/zinc/60/49/19/1063604919.db2.gz ATHOHZGCBDRKFC-RHSMWYFYSA-N 0 3 306.475 4.306 20 30 DIEDHN CC(C)(NCc1cc(F)cc(Cl)c1)c1cccc(C#N)c1 ZINC001461635385 1063628422 /nfs/dbraw/zinc/62/84/22/1063628422.db2.gz RQBFBIFHZKNJLN-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1cccc(F)c1C#N ZINC001461854799 1063750698 /nfs/dbraw/zinc/75/06/98/1063750698.db2.gz VFMZFMIILBCVAB-SFHVURJKSA-N 0 3 310.416 4.459 20 30 DIEDHN C=CCC[C@H](C)NCc1csc(-c2ccc(OC)cc2)n1 ZINC001258717950 1063775038 /nfs/dbraw/zinc/77/50/38/1063775038.db2.gz AAJQXLQHAFHKAI-ZDUSSCGKSA-N 0 3 302.443 4.263 20 30 DIEDHN C=CCC[C@@H](C)NCc1c(F)c(F)cc(Br)c1F ZINC001258717661 1063775499 /nfs/dbraw/zinc/77/54/99/1063775499.db2.gz WSYGFBIYIYJCBD-MRVPVSSYSA-N 0 3 322.168 4.311 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2c1CCC2 ZINC001461884198 1063776103 /nfs/dbraw/zinc/77/61/03/1063776103.db2.gz ROWCKNRUNHWFQZ-FGZHOGPDSA-N 0 3 316.448 4.447 20 30 DIEDHN C=CCC[C@@H](C)N1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001258725369 1063779723 /nfs/dbraw/zinc/77/97/23/1063779723.db2.gz KRTFNIXMGXLJAU-MSOLQXFVSA-N 0 3 314.473 4.451 20 30 DIEDHN Cn1ccnc1C(C#N)C(=O)C1(C2CCCCC2)CCCCC1 ZINC001263331876 1063982849 /nfs/dbraw/zinc/98/28/49/1063982849.db2.gz AYKRSXGGSNNICX-MRXNPFEDSA-N 0 3 313.445 4.127 20 30 DIEDHN CCCC[C@@H](CC)CN1CCC12CN(c1ccccc1C#N)C2 ZINC001279746367 1064365862 /nfs/dbraw/zinc/36/58/62/1064365862.db2.gz VDLODMCWQFPFSW-QGZVFWFLSA-N 0 3 311.473 4.039 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001303274469 1065111611 /nfs/dbraw/zinc/11/16/11/1065111611.db2.gz VITURSUAIKNKGD-BZSNNMDCSA-N 0 3 308.510 4.068 20 30 DIEDHN N#Cc1ccc(CN(CC2CCCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC001307422407 1065382837 /nfs/dbraw/zinc/38/28/37/1065382837.db2.gz LRTQUSQIOWIUAH-UHFFFAOYSA-N 0 3 313.401 4.011 20 30 DIEDHN CCCCCCCCCN(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001307426530 1065386718 /nfs/dbraw/zinc/38/67/18/1065386718.db2.gz BHZAZOWRJRWOLW-UHFFFAOYSA-N 0 3 312.498 4.288 20 30 DIEDHN CC(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC001307450148 1065407376 /nfs/dbraw/zinc/40/73/76/1065407376.db2.gz KVVVCLJABSQDHE-OAHLLOKOSA-N 0 3 321.262 4.331 20 30 DIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(C)C)c1 ZINC001307454439 1065410629 /nfs/dbraw/zinc/41/06/29/1065410629.db2.gz UOIHXBURDPLSAF-UHFFFAOYSA-N 0 3 322.452 4.330 20 30 DIEDHN Fc1ccc(C#CCN2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001307459325 1065413259 /nfs/dbraw/zinc/41/32/59/1065413259.db2.gz ODRQJARWLMBDMO-HXUWFJFHSA-N 0 3 307.412 4.132 20 30 DIEDHN CCOC(=O)C1(N(C)CCCCC2(C#N)CCC2)CCCCC1 ZINC001307545009 1065474916 /nfs/dbraw/zinc/47/49/16/1065474916.db2.gz UORSNEDAJBMZCT-UHFFFAOYSA-N 0 3 320.477 4.048 20 30 DIEDHN C=C(Cl)CN1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001307580467 1065494227 /nfs/dbraw/zinc/49/42/27/1065494227.db2.gz VWMGAHZARPSTDC-UHFFFAOYSA-N 0 3 318.892 4.260 20 30 DIEDHN CO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)cc1 ZINC001307606931 1065512550 /nfs/dbraw/zinc/51/25/50/1065512550.db2.gz URZVMDNUTDSDAE-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1oc(-c2ccccc2)nc1C ZINC001307620350 1065521765 /nfs/dbraw/zinc/52/17/65/1065521765.db2.gz GEYRJJCESFQJLY-UHFFFAOYSA-N 0 3 322.408 4.474 20 30 DIEDHN C=CCC[C@H](O)CN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC001307762335 1065608819 /nfs/dbraw/zinc/60/88/19/1065608819.db2.gz JKWMGTPBCINLAN-INIZCTEOSA-N 0 3 311.828 4.018 20 30 DIEDHN C[C@H](CSc1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 ZINC001307907600 1065678190 /nfs/dbraw/zinc/67/81/90/1065678190.db2.gz MUEYSURWCHNDSX-CQSZACIVSA-N 0 3 314.429 4.310 20 30 DIEDHN C=CCN(CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC001307939493 1065691414 /nfs/dbraw/zinc/69/14/14/1065691414.db2.gz UEECGKSRGLJVFN-OAHLLOKOSA-N 0 3 320.452 4.022 20 30 DIEDHN C=C(CC)CN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001307983696 1065712966 /nfs/dbraw/zinc/71/29/66/1065712966.db2.gz UGVIVAHJSZGSBO-HNNXBMFYSA-N 0 3 301.261 4.152 20 30 DIEDHN C[C@@H](CCN(C)Cc1cc(C#N)cs1)OCc1ccccc1 ZINC001308112955 1065767155 /nfs/dbraw/zinc/76/71/55/1065767155.db2.gz KVBDCVWUYIRECY-HNNXBMFYSA-N 0 3 314.454 4.047 20 30 DIEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc2ccccc2c1 ZINC001308137089 1065776166 /nfs/dbraw/zinc/77/61/66/1065776166.db2.gz OKAVWXZCYKRKIM-IBGZPJMESA-N 0 3 308.425 4.209 20 30 DIEDHN C=CCSCCNCc1cc2cccc(C)c2nc1Cl ZINC001308368603 1065945254 /nfs/dbraw/zinc/94/52/54/1065945254.db2.gz YAUZMPFRHFRMPP-UHFFFAOYSA-N 0 3 306.862 4.205 20 30 DIEDHN C#CCCOc1ccc(CNC2(c3cccc(F)c3)CCC2)cc1 ZINC001308445945 1065993766 /nfs/dbraw/zinc/99/37/66/1065993766.db2.gz UXTLVEUVSLPZNJ-UHFFFAOYSA-N 0 3 323.411 4.397 20 30 DIEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1Cl ZINC001308511917 1066038273 /nfs/dbraw/zinc/03/82/73/1066038273.db2.gz CSODXDVIXIKMMX-UHFFFAOYSA-N 0 3 314.816 4.127 20 30 DIEDHN C=CCN(Cc1ccc(-c2ccccc2C(=O)OC)o1)C(C)C ZINC001308586531 1066101585 /nfs/dbraw/zinc/10/15/85/1066101585.db2.gz ZEIBQIYURJXFDN-UHFFFAOYSA-N 0 3 313.397 4.130 20 30 DIEDHN C=C(C)[C@H](N[C@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697703 1066186298 /nfs/dbraw/zinc/18/62/98/1066186298.db2.gz WZLLYLDLLNSNOL-ABAIWWIYSA-N 0 3 303.393 4.263 20 30 DIEDHN C#C[C@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795709 1066270793 /nfs/dbraw/zinc/27/07/93/1066270793.db2.gz KPJKITWKXQSZAM-MSOLQXFVSA-N 0 3 316.231 4.425 20 30 DIEDHN C=CCC[C@@H](CC)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001308926944 1066403194 /nfs/dbraw/zinc/40/31/94/1066403194.db2.gz RIHNLVCJCQBGHP-CYBMUJFWSA-N 0 3 306.356 4.454 20 30 DIEDHN C#CCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC001308950012 1066415349 /nfs/dbraw/zinc/41/53/49/1066415349.db2.gz CQGJFJQSBXOEME-UHFFFAOYSA-N 0 3 321.420 4.007 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC001308957439 1066418886 /nfs/dbraw/zinc/41/88/86/1066418886.db2.gz BATAUHBTUSXJGS-LSDHHAIUSA-N 0 3 317.845 4.094 20 30 DIEDHN C=C[C@H](CC(=O)Nc1ccc(C)cc1CN(C)C)c1ccccc1 ZINC000134747426 335008106 /nfs/dbraw/zinc/00/81/06/335008106.db2.gz NZHGRDZRBHJANX-QGZVFWFLSA-N 0 3 322.452 4.355 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1ccco1 ZINC000286258689 335031008 /nfs/dbraw/zinc/03/10/08/335031008.db2.gz USQGFQIFEYGDNR-GOSISDBHSA-N 0 3 316.420 4.277 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000287540527 335044820 /nfs/dbraw/zinc/04/48/20/335044820.db2.gz PHOXVACJWBWIHO-OAHLLOKOSA-N 0 3 324.424 4.061 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121838003 195359136 /nfs/dbraw/zinc/35/91/36/195359136.db2.gz PXHHWSXBRBRTIB-KBXCAEBGSA-N 0 3 324.424 4.377 20 30 DIEDHN Cc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c(O)c1C ZINC000273488100 130127709 /nfs/dbraw/zinc/12/77/09/130127709.db2.gz NQUYWMNNPQIABJ-OAHLLOKOSA-N 0 3 306.409 4.221 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156990 335069387 /nfs/dbraw/zinc/06/93/87/335069387.db2.gz DAPHYPGJDVTSPU-MSOLQXFVSA-N 0 3 309.384 4.176 20 30 DIEDHN C=CCOc1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000558416605 331904731 /nfs/dbraw/zinc/90/47/31/331904731.db2.gz ZGLMBAXQPUSVQW-UHFFFAOYSA-N 0 3 308.425 4.026 20 30 DIEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000520043101 332030308 /nfs/dbraw/zinc/03/03/08/332030308.db2.gz ZQNOTHWUQVBIOO-LJQANCHMSA-N 0 3 314.473 4.028 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)c(F)c1 ZINC000520042779 332030324 /nfs/dbraw/zinc/03/03/24/332030324.db2.gz DQOYDCJQVQBIDT-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000092504618 332131379 /nfs/dbraw/zinc/13/13/79/332131379.db2.gz AHWIVQCZUBRKDH-UHFFFAOYSA-N 0 3 301.393 4.228 20 30 DIEDHN CC[C@@H](CNCc1cc(C#N)cs1)Oc1cccc(Cl)c1 ZINC000531009815 332208420 /nfs/dbraw/zinc/20/84/20/332208420.db2.gz AABYBIFCODLORI-AWEZNQCLSA-N 0 3 320.845 4.220 20 30 DIEDHN Cc1ccc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cn1 ZINC000363685449 332219908 /nfs/dbraw/zinc/21/99/08/332219908.db2.gz IEXOMIDKIFKABE-MRXNPFEDSA-N 0 3 305.425 4.202 20 30 DIEDHN CCN(CCCCC#N)Cc1cc(Br)ccc1F ZINC000102398992 332225436 /nfs/dbraw/zinc/22/54/36/332225436.db2.gz ALIPEZOTTGMUTO-UHFFFAOYSA-N 0 3 313.214 4.104 20 30 DIEDHN Cc1csc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000449477757 332262828 /nfs/dbraw/zinc/26/28/28/332262828.db2.gz JBLPPWPDDYQGBN-UHFFFAOYSA-N 0 3 310.344 4.237 20 30 DIEDHN COc1ccc([C@@H](NCCCCC#N)c2ccc(F)cc2)cc1 ZINC000109790735 332284008 /nfs/dbraw/zinc/28/40/08/332284008.db2.gz FXOVLWTWBIZCCS-IBGZPJMESA-N 0 3 312.388 4.207 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCCC#N)C1 ZINC000114472580 332327564 /nfs/dbraw/zinc/32/75/64/332327564.db2.gz KWTAZQYAFVIXCC-INIZCTEOSA-N 0 3 310.445 4.100 20 30 DIEDHN C=CCC[C@H](NC[C@@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520606 332349762 /nfs/dbraw/zinc/34/97/62/332349762.db2.gz RCFNZUIGPGBRPL-MOPGFXCFSA-N 0 3 312.457 4.049 20 30 DIEDHN CN(Cc1ccc(Br)s1)CC(C)(C)CCC#N ZINC000118990008 332359745 /nfs/dbraw/zinc/35/97/45/332359745.db2.gz BOEFDAAEHCNQGJ-UHFFFAOYSA-N 0 3 315.280 4.272 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000560571498 332362362 /nfs/dbraw/zinc/36/23/62/332362362.db2.gz JCBQTSQHODKVTR-AWEZNQCLSA-N 0 3 310.372 4.113 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000560571499 332362558 /nfs/dbraw/zinc/36/25/58/332362558.db2.gz JCBQTSQHODKVTR-CQSZACIVSA-N 0 3 310.372 4.113 20 30 DIEDHN CCOc1ccc([C@H](NCCCC#N)C(C)C)cc1OCC ZINC000120190571 332384254 /nfs/dbraw/zinc/38/42/54/332384254.db2.gz YDARHSWHHSWOCJ-GOSISDBHSA-N 0 3 304.434 4.074 20 30 DIEDHN Cc1cccc(CN(C)C(=O)C(C#N)CCc2ccccc2)c1C ZINC000560954248 332396274 /nfs/dbraw/zinc/39/62/74/332396274.db2.gz IDWHHQCLKQBDGF-LJQANCHMSA-N 0 3 320.436 4.034 20 30 DIEDHN N#Cc1ccc(CNC/C=C\c2ccccc2)c(C(F)(F)F)c1 ZINC000562071173 332541876 /nfs/dbraw/zinc/54/18/76/332541876.db2.gz WYKTUPCPVVGLMB-DAXSKMNVSA-N 0 3 316.326 4.380 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122208 332714921 /nfs/dbraw/zinc/71/49/21/332714921.db2.gz GUSATUNVUFSAKL-ISTRZQFTSA-N 0 3 300.402 4.258 20 30 DIEDHN C=CCC[C@@H](NCc1sccc1Br)C1CC1 ZINC000381536289 332715073 /nfs/dbraw/zinc/71/50/73/332715073.db2.gz GWSLFKJVIYLQDI-GFCCVEGCSA-N 0 3 300.265 4.345 20 30 DIEDHN C=CCC[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000159897356 332724695 /nfs/dbraw/zinc/72/46/95/332724695.db2.gz SKUAERJGGXVECJ-HXUWFJFHSA-N 0 3 322.452 4.186 20 30 DIEDHN N#CCc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000570211535 332726103 /nfs/dbraw/zinc/72/61/03/332726103.db2.gz HHRPXCPNOHIQRN-LJQANCHMSA-N 0 3 318.420 4.289 20 30 DIEDHN COc1cc(CN(Cc2ccccc2C)C2CC2)ccc1C#N ZINC000580277750 333052651 /nfs/dbraw/zinc/05/26/51/333052651.db2.gz NZPOHRFCXUUDFX-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN CCCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768786 333054396 /nfs/dbraw/zinc/05/43/96/333054396.db2.gz RDDNDSDVXNFUFX-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN CC(C)(C#N)CCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000174870840 333092036 /nfs/dbraw/zinc/09/20/36/333092036.db2.gz VNRAGUMGWWQIIX-MRXNPFEDSA-N 0 3 316.420 4.050 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC(C(F)(F)F)CC1 ZINC000178541792 333140687 /nfs/dbraw/zinc/14/06/87/333140687.db2.gz USXHUHTWVZZGQL-UHFFFAOYSA-N 0 3 310.363 4.262 20 30 DIEDHN C[C@@H]1CC[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555789 333163178 /nfs/dbraw/zinc/16/31/78/333163178.db2.gz BGRDLFAPXYRIJP-QRWLVFNGSA-N 0 3 306.409 4.317 20 30 DIEDHN C[C@@H](N[C@@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642893 333170938 /nfs/dbraw/zinc/17/09/38/333170938.db2.gz SEZDQEMYEXEULO-DNVCBOLYSA-N 0 3 322.408 4.153 20 30 DIEDHN Cc1oc2ccccc2c1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000182199600 333176807 /nfs/dbraw/zinc/17/68/07/333176807.db2.gz WMVBHMMVEMRCOV-AWEZNQCLSA-N 0 3 320.392 4.494 20 30 DIEDHN Cc1ccc(C[C@@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831249 333214700 /nfs/dbraw/zinc/21/47/00/333214700.db2.gz ZCAHMWYDNJNORT-QKNQBKEWSA-N 0 3 319.452 4.346 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000497198066 333220875 /nfs/dbraw/zinc/22/08/75/333220875.db2.gz IXNWSZUVHMXRDX-UHFFFAOYSA-N 0 3 317.454 4.344 20 30 DIEDHN C=C(C)CN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000497263988 333229010 /nfs/dbraw/zinc/22/90/10/333229010.db2.gz VJDLUKIZJWIURJ-UHFFFAOYSA-N 0 3 306.409 4.145 20 30 DIEDHN CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497618730 333270844 /nfs/dbraw/zinc/27/08/44/333270844.db2.gz HCAVTYFMGFEYQW-OAHLLOKOSA-N 0 3 323.396 4.358 20 30 DIEDHN CC[C@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1Br ZINC000492609379 333305061 /nfs/dbraw/zinc/30/50/61/333305061.db2.gz SZJKAAVYJQTVDH-RISCZKNCSA-N 0 3 307.235 4.084 20 30 DIEDHN C=CCSCCN[C@H](C)c1ccc(F)cc1Br ZINC000221943171 333382904 /nfs/dbraw/zinc/38/29/04/333382904.db2.gz QAYSOWCEPARDCE-SNVBAGLBSA-N 0 3 318.255 4.158 20 30 DIEDHN C=CCSCCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000221944074 333383007 /nfs/dbraw/zinc/38/30/07/333383007.db2.gz RSDQESBLXCMPGP-JTQLQIEISA-N 0 3 318.255 4.158 20 30 DIEDHN COc1ccc2ccccc2c1CNCc1ccc(C#N)cc1 ZINC000320168915 333435180 /nfs/dbraw/zinc/43/51/80/333435180.db2.gz MCKZUFDPGLGTEE-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN COc1cccc([C@H](C)NCc2cccc(OCCCC#N)c2)c1 ZINC000338958279 333503413 /nfs/dbraw/zinc/50/34/13/333503413.db2.gz UJLFUUCCLBOKAD-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN COc1ccc(OC)c([C@H](C)NCCC2(C#N)CCCCC2)c1 ZINC000411440365 333672690 /nfs/dbraw/zinc/67/26/90/333672690.db2.gz RWIWCBMFFDYZEK-HNNXBMFYSA-N 0 3 316.445 4.219 20 30 DIEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccccc1-n1cccn1 ZINC000411466185 333677249 /nfs/dbraw/zinc/67/72/49/333677249.db2.gz ZJUSRVYWECFDAA-QGZVFWFLSA-N 0 3 322.456 4.387 20 30 DIEDHN C=CCCN(C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000343441930 335165060 /nfs/dbraw/zinc/16/50/60/335165060.db2.gz LRYJNUVEPVJEDK-UHFFFAOYSA-N 0 3 303.837 4.150 20 30 DIEDHN N#Cc1csc(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506444 334001050 /nfs/dbraw/zinc/00/10/50/334001050.db2.gz WMJQAJDOKIFSNK-OCCSQVGLSA-N 0 3 317.845 4.094 20 30 DIEDHN C=CCC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000271492428 334024045 /nfs/dbraw/zinc/02/40/45/334024045.db2.gz PASMPDYJGRJYBT-FQEVSTJZSA-N 0 3 306.409 4.386 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(C#N)cc1 ZINC000271654955 334025165 /nfs/dbraw/zinc/02/51/65/334025165.db2.gz JXOKAQRGULLYFP-HNNXBMFYSA-N 0 3 303.409 4.210 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000437095924 334027911 /nfs/dbraw/zinc/02/79/11/334027911.db2.gz XYJHRTOOVKGHLI-YGRLFVJLSA-N 0 3 302.315 4.325 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000272004723 334029452 /nfs/dbraw/zinc/02/94/52/334029452.db2.gz IRGXUMJVGDMUSV-GFCCVEGCSA-N 0 3 314.351 4.218 20 30 DIEDHN CCOc1ccc([C@H](C)NCCC(C)(C)C#N)cc1OCC ZINC000272029492 334029696 /nfs/dbraw/zinc/02/96/96/334029696.db2.gz OXMFWDIFENWWBE-AWEZNQCLSA-N 0 3 304.434 4.074 20 30 DIEDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C)(C#N)CC1 ZINC000272603326 334038107 /nfs/dbraw/zinc/03/81/07/334038107.db2.gz RCWSLOBFFDPZQE-LBPRGKRZSA-N 0 3 312.335 4.272 20 30 DIEDHN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C)(C#N)CC1 ZINC000272602217 334038115 /nfs/dbraw/zinc/03/81/15/334038115.db2.gz RCWSLOBFFDPZQE-GFCCVEGCSA-N 0 3 312.335 4.272 20 30 DIEDHN Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCCC#N ZINC000273178020 334043978 /nfs/dbraw/zinc/04/39/78/334043978.db2.gz DJZQRFXMQFSBOC-NSHDSACASA-N 0 3 303.406 4.212 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000274625326 334064081 /nfs/dbraw/zinc/06/40/81/334064081.db2.gz NLDGGKWOBLXRHP-JGGQBBKZSA-N 0 3 311.454 4.461 20 30 DIEDHN Cc1ccc(C)n1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343530663 335175217 /nfs/dbraw/zinc/17/52/17/335175217.db2.gz CWHQHODDEHUMQS-UHFFFAOYSA-N 0 3 307.441 4.008 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000278718459 334100157 /nfs/dbraw/zinc/10/01/57/334100157.db2.gz UXPQIXRCYGIJOH-OZOXKJRCSA-N 0 3 302.421 4.326 20 30 DIEDHN COCc1ccc([C@H]2CCCN2CCCCC(C)(C)C#N)o1 ZINC000278864143 334102497 /nfs/dbraw/zinc/10/24/97/334102497.db2.gz SGASVSWDGNAITP-MRXNPFEDSA-N 0 3 304.434 4.283 20 30 DIEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000279651592 334110927 /nfs/dbraw/zinc/11/09/27/334110927.db2.gz BYFZWZTZYSIPSC-DBVUQKKJSA-N 0 3 308.425 4.397 20 30 DIEDHN C=C(C)COCCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000531884913 334127806 /nfs/dbraw/zinc/12/78/06/334127806.db2.gz GSNMXVDVCQIHBM-UHFFFAOYSA-N 0 3 303.377 4.076 20 30 DIEDHN N#CC1CCC(CNCc2ccc(CSC(F)F)o2)CC1 ZINC000281816295 334128434 /nfs/dbraw/zinc/12/84/34/334128434.db2.gz WLVSKBIOGCBDRE-UHFFFAOYSA-N 0 3 314.401 4.155 20 30 DIEDHN COC[C@@H](NCC1CCC(C#N)CC1)c1cccc(Cl)c1F ZINC000286969998 334155297 /nfs/dbraw/zinc/15/52/97/334155297.db2.gz IKRCSBHSTUSBFW-SEEARECTSA-N 0 3 324.827 4.086 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC=C(c2cccnc2)C1 ZINC000289464867 334165589 /nfs/dbraw/zinc/16/55/89/334165589.db2.gz YOEHJNAMNCYVIA-UHFFFAOYSA-N 0 3 317.436 4.172 20 30 DIEDHN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC[C@@H](C#N)CCC#N ZINC000293159940 334196209 /nfs/dbraw/zinc/19/62/09/334196209.db2.gz UUZQGVSQGHFHTM-SJLPKXTDSA-N 0 3 317.864 4.330 20 30 DIEDHN N#C[C@H]1CCC[C@@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833597 334202652 /nfs/dbraw/zinc/20/26/52/334202652.db2.gz WOXNQESZJMTREC-ZXNZYJFHSA-N 0 3 320.436 4.133 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(C2CC2)c1 ZINC000294880870 334213993 /nfs/dbraw/zinc/21/39/93/334213993.db2.gz UTKFRJUMMXAEQO-HNNXBMFYSA-N 0 3 306.409 4.317 20 30 DIEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000296659098 334235847 /nfs/dbraw/zinc/23/58/47/334235847.db2.gz ZPYHSWJYIMRNKF-AGIUHOORSA-N 0 3 307.235 4.182 20 30 DIEDHN COc1cc([C@H](C)N[C@H](C)CCC#N)ccc1OCC(C)C ZINC000299519797 334256045 /nfs/dbraw/zinc/25/60/45/334256045.db2.gz CVYABYQUVPJVHF-CABCVRRESA-N 0 3 304.434 4.073 20 30 DIEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646132 334256799 /nfs/dbraw/zinc/25/67/99/334256799.db2.gz KRIJBRCGXZVCRM-CVEARBPZSA-N 0 3 321.424 4.282 20 30 DIEDHN CCCCOc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OC ZINC000299731365 334257806 /nfs/dbraw/zinc/25/78/06/334257806.db2.gz XDEZDNWVJIWPFX-CABCVRRESA-N 0 3 304.434 4.217 20 30 DIEDHN C=CCCOCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000535248465 334382350 /nfs/dbraw/zinc/38/23/50/334382350.db2.gz XMSBWGMTYQZNIK-UHFFFAOYSA-N 0 3 303.377 4.076 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712398 334473040 /nfs/dbraw/zinc/47/30/40/334473040.db2.gz XASVZBAFAKXCFV-JLTOFOAXSA-N 0 3 301.393 4.158 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)s1 ZINC000341760886 334478166 /nfs/dbraw/zinc/47/81/66/334478166.db2.gz NWQYGCWJTZUXSS-HNNXBMFYSA-N 0 3 302.830 4.440 20 30 DIEDHN COc1cccc2c1CC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341814434 334481753 /nfs/dbraw/zinc/48/17/53/334481753.db2.gz PGZPNAUXKTXWIW-VQTJNVASSA-N 0 3 318.420 4.221 20 30 DIEDHN CC(C)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373247 334765016 /nfs/dbraw/zinc/76/50/16/334765016.db2.gz XAJCBXNFBXTRCJ-PMACEKPBSA-N 0 3 305.425 4.318 20 30 DIEDHN CCCCOc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000443955386 338464268 /nfs/dbraw/zinc/46/42/68/338464268.db2.gz CPCTVRUJKCBCJA-UHFFFAOYSA-N 0 3 308.425 4.335 20 30 DIEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000189578135 334902264 /nfs/dbraw/zinc/90/22/64/334902264.db2.gz XYMOSICTJTUDQB-SNVBAGLBSA-N 0 3 308.212 4.054 20 30 DIEDHN C=C(CNCc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000343759074 335191104 /nfs/dbraw/zinc/19/11/04/335191104.db2.gz HHSIHOXWBGEORO-UHFFFAOYSA-N 0 3 307.422 4.008 20 30 DIEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000344057757 335213988 /nfs/dbraw/zinc/21/39/88/335213988.db2.gz WSYHQEHBJSDRGC-UHFFFAOYSA-N 0 3 324.428 4.151 20 30 DIEDHN CCO[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339304 335242433 /nfs/dbraw/zinc/24/24/33/335242433.db2.gz WSBNQTVTIBHPAK-IPMKNSEASA-N 0 3 312.457 4.359 20 30 DIEDHN N#CCCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000344356077 335243952 /nfs/dbraw/zinc/24/39/52/335243952.db2.gz LWIQBKGEVBIYHP-UHFFFAOYSA-N 0 3 308.303 4.359 20 30 DIEDHN CC(C)C[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345755727 335348332 /nfs/dbraw/zinc/34/83/32/335348332.db2.gz GMRPWZIKMSWVSR-BXUZGUMPSA-N 0 3 312.335 4.068 20 30 DIEDHN CC(C)C[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345755728 335348398 /nfs/dbraw/zinc/34/83/98/335348398.db2.gz GMRPWZIKMSWVSR-FZMZJTMJSA-N 0 3 312.335 4.068 20 30 DIEDHN C[C@H](CNCc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000191156546 335624215 /nfs/dbraw/zinc/62/42/15/335624215.db2.gz MIUHURJPWLQMRB-LLVKDONJSA-N 0 3 308.303 4.063 20 30 DIEDHN CC[C@H]1CCCC[C@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695798 336179311 /nfs/dbraw/zinc/17/93/11/336179311.db2.gz VAVBJGNHYZAWJL-DOTOQJQBSA-N 0 3 324.428 4.009 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cc(F)cc2cccnc21 ZINC000352702200 336231450 /nfs/dbraw/zinc/23/14/50/336231450.db2.gz UAELBXFXKQRXKY-UHFFFAOYSA-N 0 3 310.372 4.198 20 30 DIEDHN C=CCOc1ccc(CNC(C)(C)c2ccccc2OC)cc1 ZINC000103172184 336238173 /nfs/dbraw/zinc/23/81/73/336238173.db2.gz LBXZNZLMUWQLAY-UHFFFAOYSA-N 0 3 311.425 4.285 20 30 DIEDHN COc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1C#N ZINC000532745820 336269313 /nfs/dbraw/zinc/26/93/13/336269313.db2.gz CLQDMWWDSYEYQY-HXUWFJFHSA-N 0 3 318.420 4.219 20 30 DIEDHN C=C(C)CNCc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000352858311 336281826 /nfs/dbraw/zinc/28/18/26/336281826.db2.gz NYDSABQCZUDWJB-UHFFFAOYSA-N 0 3 307.397 4.106 20 30 DIEDHN C=C(C)CN1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301161199 336292586 /nfs/dbraw/zinc/29/25/86/336292586.db2.gz FCCUPZBUBBVFOH-UHFFFAOYSA-N 0 3 323.362 4.029 20 30 DIEDHN C=CCC[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106390 336361149 /nfs/dbraw/zinc/36/11/49/336361149.db2.gz YDRSDOBNDCGMQT-IAGOWNOFSA-N 0 3 314.429 4.307 20 30 DIEDHN CN1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000302836988 336371508 /nfs/dbraw/zinc/37/15/08/336371508.db2.gz XAWMMTGKUMXJFF-ROUUACIJSA-N 0 3 311.816 4.069 20 30 DIEDHN C=CCc1cc(CNCc2sccc2C)cc(OC)c1OC ZINC000105478279 336387664 /nfs/dbraw/zinc/38/76/64/336387664.db2.gz PSLZBLMEYYYKNO-UHFFFAOYSA-N 0 3 317.454 4.092 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000193093657 336396963 /nfs/dbraw/zinc/39/69/63/336396963.db2.gz OUGAYEQYTZOWFA-IUODEOHRSA-N 0 3 319.246 4.110 20 30 DIEDHN COc1ccsc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353913163 336447634 /nfs/dbraw/zinc/44/76/34/336447634.db2.gz HHBQKZSWDSPXTR-HNNXBMFYSA-N 0 3 300.427 4.281 20 30 DIEDHN C=C(C)COCCN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358300402 336622630 /nfs/dbraw/zinc/62/26/30/336622630.db2.gz OWFKKPIALAYKOV-MRXNPFEDSA-N 0 3 309.837 4.044 20 30 DIEDHN CC[C@@H](NCc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000359026219 336653934 /nfs/dbraw/zinc/65/39/34/336653934.db2.gz GZWAJJUZZYJDFU-LJQANCHMSA-N 0 3 301.393 4.347 20 30 DIEDHN CC[C@H](NCc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000359026218 336653947 /nfs/dbraw/zinc/65/39/47/336653947.db2.gz GZWAJJUZZYJDFU-IBGZPJMESA-N 0 3 301.393 4.347 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cc(F)cc(F)c1 ZINC000360838157 336723935 /nfs/dbraw/zinc/72/39/35/336723935.db2.gz AZQRJNWUIHEHBO-LJQANCHMSA-N 0 3 312.363 4.394 20 30 DIEDHN CC(C)(CCC#N)CN[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000371580234 336908294 /nfs/dbraw/zinc/90/82/94/336908294.db2.gz CHKALFHIKXJZON-KRWDZBQOSA-N 0 3 314.477 4.295 20 30 DIEDHN CC(C)n1ncc2c1[C@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084025 336921679 /nfs/dbraw/zinc/92/16/79/336921679.db2.gz QADRZZIONXVXMJ-RDTXWAMCSA-N 0 3 308.429 4.064 20 30 DIEDHN C[C@@H](NCc1cccn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691322 336995223 /nfs/dbraw/zinc/99/52/23/336995223.db2.gz CZCZMCGRXNDSKZ-MRXNPFEDSA-N 0 3 315.420 4.415 20 30 DIEDHN CC[C@@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000376738339 337040192 /nfs/dbraw/zinc/04/01/92/337040192.db2.gz DSMDUHOFZOBRHT-SFHVURJKSA-N 0 3 305.425 4.090 20 30 DIEDHN N#CCCCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000377510465 337054011 /nfs/dbraw/zinc/05/40/11/337054011.db2.gz GFGNCUCSMHYRLW-HNNXBMFYSA-N 0 3 307.235 4.280 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377795886 337061219 /nfs/dbraw/zinc/06/12/19/337061219.db2.gz IJTBRELVRDYESM-BEVDRBHNSA-N 0 3 306.409 4.129 20 30 DIEDHN Cc1ccccc1OCCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507639 337134856 /nfs/dbraw/zinc/13/48/56/337134856.db2.gz RZENANSEMPCPGE-OAHLLOKOSA-N 0 3 312.388 4.126 20 30 DIEDHN Cc1cccc(O[C@@H](C)CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508075 337142245 /nfs/dbraw/zinc/14/22/45/337142245.db2.gz VBCXGJHNDIZATP-GJZGRUSLSA-N 0 3 312.388 4.124 20 30 DIEDHN C=CCN(CCC(=O)Nc1ccccc1C)Cc1cccs1 ZINC000174707599 337143191 /nfs/dbraw/zinc/14/31/91/337143191.db2.gz KXWJYOUPVFMPIR-UHFFFAOYSA-N 0 3 314.454 4.073 20 30 DIEDHN C[C@H](NCCOc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000538508520 337146724 /nfs/dbraw/zinc/14/67/24/337146724.db2.gz QOHXKFNXMZJDKP-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177756557 337157323 /nfs/dbraw/zinc/15/73/23/337157323.db2.gz ZMRCHEQVGFPXRP-CQSZACIVSA-N 0 3 314.410 4.155 20 30 DIEDHN C=CCC[C@H](NCc1ccc(N(C)CC)nc1)c1ccccc1 ZINC000191448643 337297046 /nfs/dbraw/zinc/29/70/46/337297046.db2.gz IKKMWYVUFZDASF-IBGZPJMESA-N 0 3 309.457 4.335 20 30 DIEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCC[C@@H]1C ZINC000120157326 337395502 /nfs/dbraw/zinc/39/55/02/337395502.db2.gz JVBGABZRKMIBJW-WMLDXEAASA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000245833023 337494855 /nfs/dbraw/zinc/49/48/55/337494855.db2.gz CANBHLLSEJAUIS-BEVDRBHNSA-N 0 3 306.409 4.129 20 30 DIEDHN C#CC[C@H](NCc1ccc(SC)c(OC)c1)c1ccccc1 ZINC000270256415 337639646 /nfs/dbraw/zinc/63/96/46/337639646.db2.gz VHLPQXPKUIERHW-KRWDZBQOSA-N 0 3 311.450 4.271 20 30 DIEDHN C#CC[C@@H]([NH2+]Cc1ccc(OCCC)cc1[O-])c1ccccc1 ZINC000270203742 337639723 /nfs/dbraw/zinc/63/97/23/337639723.db2.gz MRQMGGZIKBSTEP-LJQANCHMSA-N 0 3 309.409 4.035 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000421871321 337657202 /nfs/dbraw/zinc/65/72/02/337657202.db2.gz GBBDGSYZYALRKX-GOSISDBHSA-N 0 3 307.422 4.049 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340640 337712895 /nfs/dbraw/zinc/71/28/95/337712895.db2.gz BZFSSYBNIGXAHQ-BUXKBTBVSA-N 0 3 309.388 4.008 20 30 DIEDHN C=C(C)COCCN[C@@H](CC)c1ccccc1Br ZINC000536851168 337745320 /nfs/dbraw/zinc/74/53/20/337745320.db2.gz LATSADJTRSTYEC-HNNXBMFYSA-N 0 3 312.251 4.083 20 30 DIEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000424134016 337752861 /nfs/dbraw/zinc/75/28/61/337752861.db2.gz XUKXINGEJMVZGS-NILFDRSVSA-N 0 3 307.235 4.182 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000424296720 337817033 /nfs/dbraw/zinc/81/70/33/337817033.db2.gz PHVBRFNUDQVQES-IHPCNDPISA-N 0 3 311.400 4.096 20 30 DIEDHN CCOc1ccc([C@H](CC)N[C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424316753 337819822 /nfs/dbraw/zinc/81/98/22/337819822.db2.gz BIJTYVNQJIIOAP-UAGQMJEPSA-N 0 3 316.445 4.217 20 30 DIEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1cc(C)ccc1C ZINC000424323456 337820606 /nfs/dbraw/zinc/82/06/06/337820606.db2.gz JDKVPVKCMDTOTO-RYQLBKOJSA-N 0 3 322.456 4.140 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3c(Br)cccc32)C1 ZINC000424328400 337821607 /nfs/dbraw/zinc/82/16/07/337821607.db2.gz OBUNEOSMEDEXLR-OZVIIMIRSA-N 0 3 319.246 4.108 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424426971 337832600 /nfs/dbraw/zinc/83/26/00/337832600.db2.gz NLLWPYHASOKZAA-UHFFFAOYSA-N 0 3 323.440 4.064 20 30 DIEDHN COc1ccc(C[C@H](C)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000090665711 337884031 /nfs/dbraw/zinc/88/40/31/337884031.db2.gz YMLQWLKJCABYBN-OXJNMPFZSA-N 0 3 308.425 4.261 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000537089716 337888617 /nfs/dbraw/zinc/88/86/17/337888617.db2.gz TUYSHARJEQEANQ-SFHVURJKSA-N 0 3 312.388 4.061 20 30 DIEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000426149982 338021392 /nfs/dbraw/zinc/02/13/92/338021392.db2.gz CYQBNKOMTPVXFW-UHFFFAOYSA-N 0 3 309.335 4.103 20 30 DIEDHN CCN(Cc1cc(C#N)ccc1F)[C@@H](C)Cc1ccsc1 ZINC000426481599 338033333 /nfs/dbraw/zinc/03/33/33/338033333.db2.gz GZQKKJVUTGJSHI-ZDUSSCGKSA-N 0 3 302.418 4.212 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000428575621 338056651 /nfs/dbraw/zinc/05/66/51/338056651.db2.gz QAQZVVYPFGFXCN-RTBURBONSA-N 0 3 324.468 4.378 20 30 DIEDHN C[C@@H](NC[C@H](C)Oc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000429428989 338080707 /nfs/dbraw/zinc/08/07/07/338080707.db2.gz VKUUDBUCMPWUDM-UONOGXRCSA-N 0 3 314.816 4.330 20 30 DIEDHN N#CCC1(CNCc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000430003605 338093265 /nfs/dbraw/zinc/09/32/65/338093265.db2.gz JAWJLBSPJVJAFM-UHFFFAOYSA-N 0 3 324.399 4.188 20 30 DIEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1-c1cc(C)ccc1C ZINC000430717544 338112305 /nfs/dbraw/zinc/11/23/05/338112305.db2.gz AMMIGFZMJCLMDN-INIZCTEOSA-N 0 3 322.456 4.142 20 30 DIEDHN Cc1cc(Cl)c2c(c1)[C@H](NCC1(CC#N)CC1)CCCO2 ZINC000430739399 338112986 /nfs/dbraw/zinc/11/29/86/338112986.db2.gz DCTIRCAAZADMFN-OAHLLOKOSA-N 0 3 304.821 4.146 20 30 DIEDHN N#CCC1(CN[C@H]2CCCc3c(Br)cccc32)CC1 ZINC000430751161 338113710 /nfs/dbraw/zinc/11/37/10/338113710.db2.gz SUOUXQHURNKQMU-HNNXBMFYSA-N 0 3 319.246 4.110 20 30 DIEDHN CN(CCS[C@@H](C#N)C1CCCCC1)Cc1ccccc1 ZINC000433018589 338176454 /nfs/dbraw/zinc/17/64/54/338176454.db2.gz FFKCEGVBJPPZAI-SFHVURJKSA-N 0 3 302.487 4.324 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433020631 338176672 /nfs/dbraw/zinc/17/66/72/338176672.db2.gz SWAKMTYPLACLDM-IBGZPJMESA-N 0 3 319.408 4.092 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000433024057 338176851 /nfs/dbraw/zinc/17/68/51/338176851.db2.gz BGGQZHPSFZZFRA-LJQANCHMSA-N 0 3 307.372 4.222 20 30 DIEDHN Cc1c(CN[C@H](CCCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000433025454 338177085 /nfs/dbraw/zinc/17/70/85/338177085.db2.gz KWWWLMHVLCVTGM-GOSISDBHSA-N 0 3 323.396 4.428 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000433026069 338177122 /nfs/dbraw/zinc/17/71/22/338177122.db2.gz OAOQDOBLDTZCEW-HXUWFJFHSA-N 0 3 303.409 4.277 20 30 DIEDHN CN(CCSCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000433028821 338177268 /nfs/dbraw/zinc/17/72/68/338177268.db2.gz DNLYGJMALHGBKQ-UHFFFAOYSA-N 0 3 314.429 4.063 20 30 DIEDHN CN(CCSCc1cccc(C#N)c1F)Cc1ccccc1 ZINC000433045672 338178200 /nfs/dbraw/zinc/17/82/00/338178200.db2.gz FRQSGDJSDHNRAQ-UHFFFAOYSA-N 0 3 314.429 4.063 20 30 DIEDHN C[C@H](c1ccccc1F)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433225972 338186625 /nfs/dbraw/zinc/18/66/25/338186625.db2.gz KTQCJHFIPAPIID-WBVHZDCISA-N 0 3 324.399 4.118 20 30 DIEDHN C[C@H](c1ccccc1F)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433225970 338186645 /nfs/dbraw/zinc/18/66/45/338186645.db2.gz KTQCJHFIPAPIID-NVXWUHKLSA-N 0 3 324.399 4.118 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000433231566 338186905 /nfs/dbraw/zinc/18/69/05/338186905.db2.gz KOEBXVVUUGPVIJ-WOJBJXKFSA-N 0 3 318.420 4.026 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N(CC1CCCCC1)C1CC1 ZINC000433305167 338190899 /nfs/dbraw/zinc/19/08/99/338190899.db2.gz MVXSNASVLRGTSB-IBGZPJMESA-N 0 3 324.468 4.330 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N(CC1CC1)C1CCCCC1 ZINC000433344782 338193620 /nfs/dbraw/zinc/19/36/20/338193620.db2.gz UMBWGPIYYJEWNG-LJQANCHMSA-N 0 3 324.468 4.330 20 30 DIEDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433376193 338194216 /nfs/dbraw/zinc/19/42/16/338194216.db2.gz RQPSAWFRMFZUHC-ZWOKBUDYSA-N 0 3 320.436 4.067 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000442721301 338429031 /nfs/dbraw/zinc/42/90/31/338429031.db2.gz SWCSPPRVCOKZPS-RXVVDRJESA-N 0 3 320.436 4.185 20 30 DIEDHN CCOc1ccccc1[C@H](CC(C)C)N[C@H]1CC[C@H](C#N)C1 ZINC000442763465 338429858 /nfs/dbraw/zinc/42/98/58/338429858.db2.gz GRNXOYGMSODQAO-BQFCYCMXSA-N 0 3 300.446 4.454 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000442765934 338429861 /nfs/dbraw/zinc/42/98/61/338429861.db2.gz KEXJRVIBVJOARD-JXFKEZNVSA-N 0 3 318.420 4.070 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000442785902 338431284 /nfs/dbraw/zinc/43/12/84/338431284.db2.gz WJPQGFXCRLJVTM-MOPGFXCFSA-N 0 3 306.409 4.047 20 30 DIEDHN CCCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000442859041 338435343 /nfs/dbraw/zinc/43/53/43/338435343.db2.gz PVXJFCUMMJOMKR-UKRRQHHQSA-N 0 3 306.837 4.301 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530761 338554498 /nfs/dbraw/zinc/55/44/98/338554498.db2.gz NNRXFNRDIMXFCL-GUYCJALGSA-N 0 3 308.381 4.089 20 30 DIEDHN CC[C@H](NCc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447587395 338559796 /nfs/dbraw/zinc/55/97/96/338559796.db2.gz QXCABTOQKGHFJK-KRWDZBQOSA-N 0 3 316.351 4.401 20 30 DIEDHN CC1(C#N)CCC(N[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000449122416 338595228 /nfs/dbraw/zinc/59/52/28/338595228.db2.gz LHFYLYWFKKNLPU-GPJFCIFZSA-N 0 3 305.425 4.233 20 30 DIEDHN N#CCCC[C@H](NCc1cc2cccnc2o1)c1ccccc1 ZINC000449340609 338614839 /nfs/dbraw/zinc/61/48/39/338614839.db2.gz PILODJIHVKYKNX-SFHVURJKSA-N 0 3 305.381 4.353 20 30 DIEDHN C=CCSCCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453130273 338797673 /nfs/dbraw/zinc/79/76/73/338797673.db2.gz GHWPQWPCMCOHTG-HNNXBMFYSA-N 0 3 314.454 4.444 20 30 DIEDHN C[C@H](NC[C@@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222810 338810031 /nfs/dbraw/zinc/81/00/31/338810031.db2.gz RHFHSFHADUVHIE-GXTWGEPZSA-N 0 3 312.413 4.237 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000453373989 338833965 /nfs/dbraw/zinc/83/39/65/338833965.db2.gz WKUIZVAHWLXKEZ-MAZHCROVSA-N 0 3 314.454 4.113 20 30 DIEDHN C[C@H](CCCc1cccnc1)NCC#Cc1ccccc1Cl ZINC000459645105 339040020 /nfs/dbraw/zinc/04/00/20/339040020.db2.gz YHMSUPLIQGRJND-MRXNPFEDSA-N 0 3 312.844 4.088 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(Cl)c(Br)c1 ZINC000459727364 339044743 /nfs/dbraw/zinc/04/47/43/339044743.db2.gz GHMDOOAIXBPBMX-UHFFFAOYSA-N 0 3 315.642 4.132 20 30 DIEDHN Cc1c(F)cccc1-c1ccc(CNCC(C)(C)CC#N)o1 ZINC000459737778 339045378 /nfs/dbraw/zinc/04/53/78/339045378.db2.gz WPUZCDFRRAPXCX-UHFFFAOYSA-N 0 3 300.377 4.424 20 30 DIEDHN C=CCOc1cccc(CNC[C@H](C)Oc2ccccc2C)c1 ZINC000462738125 339086044 /nfs/dbraw/zinc/08/60/44/339086044.db2.gz KZZBXHXUSHUADT-KRWDZBQOSA-N 0 3 311.425 4.117 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000463288305 339113540 /nfs/dbraw/zinc/11/35/40/339113540.db2.gz BSQVBOCHUKGHDQ-YLJYHZDGSA-N 0 3 320.436 4.438 20 30 DIEDHN CC(C)CCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000463295959 339113898 /nfs/dbraw/zinc/11/38/98/339113898.db2.gz QPHUJVNPRFVGFB-SJLPKXTDSA-N 0 3 300.446 4.283 20 30 DIEDHN CC(C)CCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000463295961 339113930 /nfs/dbraw/zinc/11/39/30/339113930.db2.gz QPHUJVNPRFVGFB-WMZOPIPTSA-N 0 3 300.446 4.283 20 30 DIEDHN CN(Cc1ccc(CC#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437816 339117716 /nfs/dbraw/zinc/11/77/16/339117716.db2.gz GDADHZLXVUDOLU-CVEARBPZSA-N 0 3 310.363 4.306 20 30 DIEDHN Cc1cc(C)cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464474173 339142975 /nfs/dbraw/zinc/14/29/75/339142975.db2.gz JVNGUAAMACOYAD-AWEZNQCLSA-N 0 3 318.298 4.207 20 30 DIEDHN Cc1cc(C)cc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464474174 339143033 /nfs/dbraw/zinc/14/30/33/339143033.db2.gz JVNGUAAMACOYAD-CQSZACIVSA-N 0 3 318.298 4.207 20 30 DIEDHN C[C@@H]1C[C@H](c2ccccc2F)N(CCOc2ccccc2C#N)C1 ZINC000464741292 339150608 /nfs/dbraw/zinc/15/06/08/339150608.db2.gz SUQVFMLHFQKION-DNVCBOLYSA-N 0 3 324.399 4.159 20 30 DIEDHN N#Cc1cccc(CCNCc2c(Cl)cccc2Cl)c1 ZINC000466411744 339203224 /nfs/dbraw/zinc/20/32/24/339203224.db2.gz GCQWAETXXYRFOU-UHFFFAOYSA-N 0 3 305.208 4.197 20 30 DIEDHN N#CCSCCCN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000466724723 339214324 /nfs/dbraw/zinc/21/43/24/339214324.db2.gz KZUGCLOFDDWHTG-HXUWFJFHSA-N 0 3 322.477 4.281 20 30 DIEDHN C=CC[C@H](CC)N[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418606 339237568 /nfs/dbraw/zinc/23/75/68/339237568.db2.gz NYFJFRBZYPMHRJ-DOMZBBRYSA-N 0 3 318.852 4.234 20 30 DIEDHN COc1ccc(Cl)cc1[C@H](C)NCCc1cccc(C#N)c1 ZINC000467436253 339238472 /nfs/dbraw/zinc/23/84/72/339238472.db2.gz AYJBBELDJCCLLG-ZDUSSCGKSA-N 0 3 314.816 4.114 20 30 DIEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000468266518 339258147 /nfs/dbraw/zinc/25/81/47/339258147.db2.gz OWTZZXGKDOHCHQ-AWEZNQCLSA-N 0 3 312.388 4.289 20 30 DIEDHN CC(C#N)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000469400715 339287897 /nfs/dbraw/zinc/28/78/97/339287897.db2.gz XODPGVNJADPDBH-GWCFXTLKSA-N 0 3 312.335 4.068 20 30 DIEDHN N#CCc1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469454549 339290064 /nfs/dbraw/zinc/29/00/64/339290064.db2.gz LKBQTTFOCYOECE-INIZCTEOSA-N 0 3 312.363 4.020 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469458712 339290172 /nfs/dbraw/zinc/29/01/72/339290172.db2.gz JKBIQCMXFPOYMH-BBRMVZONSA-N 0 3 312.363 4.387 20 30 DIEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000469777862 339297912 /nfs/dbraw/zinc/29/79/12/339297912.db2.gz YHIQKEQJPRXXCF-HOTGVXAUSA-N 0 3 308.878 4.366 20 30 DIEDHN C=CCOCCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000470727538 339326265 /nfs/dbraw/zinc/32/62/65/339326265.db2.gz VCPGZAQIBKZHGS-MRXNPFEDSA-N 0 3 324.262 4.179 20 30 DIEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1C(C)(C)C#N ZINC000470955839 339332853 /nfs/dbraw/zinc/33/28/53/339332853.db2.gz OYWAYXJIIXVFRF-OCCSQVGLSA-N 0 3 310.363 4.260 20 30 DIEDHN CC(C)Oc1ccc2ccccc2c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000472136871 339363924 /nfs/dbraw/zinc/36/39/24/339363924.db2.gz QZMCKTVKSHUMNL-WBVHZDCISA-N 0 3 308.425 4.409 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCCC1(C)C ZINC000472600405 339374844 /nfs/dbraw/zinc/37/48/44/339374844.db2.gz KVOXSGNSOXVLGT-INIZCTEOSA-N 0 3 318.486 4.072 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc(C#N)c1 ZINC000474055074 339399583 /nfs/dbraw/zinc/39/95/83/339399583.db2.gz HTNCPGQHPHVTBT-IBGZPJMESA-N 0 3 306.409 4.079 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000475666180 339458616 /nfs/dbraw/zinc/45/86/16/339458616.db2.gz BOYDXSPMEZKIEN-JCNLHEQBSA-N 0 3 314.791 4.387 20 30 DIEDHN C[C@@H](CNCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000479585999 339542507 /nfs/dbraw/zinc/54/25/07/339542507.db2.gz BHHQMAKPZOAYTJ-ZETCQYMHSA-N 0 3 303.221 4.133 20 30 DIEDHN C=CCOc1ccc(CNC[C@H](C)C(F)(F)F)cc1Cl ZINC000479596666 339542988 /nfs/dbraw/zinc/54/29/88/339542988.db2.gz ZNFHBJNTHAAANC-JTQLQIEISA-N 0 3 307.743 4.193 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663316 339671197 /nfs/dbraw/zinc/67/11/97/339671197.db2.gz RHSYXKBKNXICRY-UBHSHLNASA-N 0 3 317.408 4.435 20 30 DIEDHN Cc1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc(C)c1F ZINC000484082066 339680456 /nfs/dbraw/zinc/68/04/56/339680456.db2.gz PBORAAVYTTWAGL-CYBMUJFWSA-N 0 3 300.352 4.304 20 30 DIEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)CC2CCCCC2)CC1 ZINC000499829853 340045380 /nfs/dbraw/zinc/04/53/80/340045380.db2.gz CRUHAMZEELZKSM-SFHVURJKSA-N 0 3 320.521 4.140 20 30 DIEDHN C[C@]1(c2ccccc2)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000500184744 340052347 /nfs/dbraw/zinc/05/23/47/340052347.db2.gz WMLLYELGHRTASW-FQEVSTJZSA-N 0 3 308.400 4.251 20 30 DIEDHN C=CCOc1ccc(CN2CCC(C)(COC)CC2)cc1Cl ZINC000500771943 340066922 /nfs/dbraw/zinc/06/69/22/340066922.db2.gz LNEQKYOOXBLPOF-UHFFFAOYSA-N 0 3 323.864 4.153 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccccc1C ZINC000501252909 340077261 /nfs/dbraw/zinc/07/72/61/340077261.db2.gz KGGZGEGRAGMPAC-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN N#Cc1ccc(C2=CCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000502553697 340107600 /nfs/dbraw/zinc/10/76/00/340107600.db2.gz NBBNLDZBTGZOFI-OAQYLSRUSA-N 0 3 318.395 4.474 20 30 DIEDHN Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000502903442 340116158 /nfs/dbraw/zinc/11/61/58/340116158.db2.gz MXALUKNIQNPYSA-HXUWFJFHSA-N 0 3 308.400 4.132 20 30 DIEDHN Cc1ccccc1[C@]1(F)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000502903441 340116161 /nfs/dbraw/zinc/11/61/61/340116161.db2.gz MXALUKNIQNPYSA-FQEVSTJZSA-N 0 3 308.400 4.132 20 30 DIEDHN CCN(Cc1ccc(C#N)s1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506401200 340194193 /nfs/dbraw/zinc/19/41/93/340194193.db2.gz FISKAXIFENHJKT-AWEZNQCLSA-N 0 3 314.454 4.081 20 30 DIEDHN Cc1ccc([C@H](CNc2ccc(C#N)cc2F)N2CCCC2)cc1 ZINC000507014334 340205443 /nfs/dbraw/zinc/20/54/43/340205443.db2.gz IBKQYKYDSAEBOG-FQEVSTJZSA-N 0 3 323.415 4.255 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(C#N)cc1 ZINC000507157696 340210111 /nfs/dbraw/zinc/21/01/11/340210111.db2.gz BQISEPIHUAQMRI-HXUWFJFHSA-N 0 3 306.409 4.076 20 30 DIEDHN C[C@H](c1ccc(F)cc1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817593 340232958 /nfs/dbraw/zinc/23/29/58/340232958.db2.gz CEUBYGRHXVHPLF-OAHLLOKOSA-N 0 3 324.399 4.302 20 30 DIEDHN CCN(Cc1cc(F)cc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508622449 340248589 /nfs/dbraw/zinc/24/85/89/340248589.db2.gz XNAQAMHEMWTJNG-ZDUSSCGKSA-N 0 3 300.352 4.420 20 30 DIEDHN CCN(Cc1c(C)nc2ccccn21)[C@H](C)c1ccc(C#N)cc1 ZINC000508671654 340250297 /nfs/dbraw/zinc/25/02/97/340250297.db2.gz NNUOPETVIMHSQP-MRXNPFEDSA-N 0 3 318.424 4.098 20 30 DIEDHN CCN(CCOc1cccc(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000516616635 340270119 /nfs/dbraw/zinc/27/01/19/340270119.db2.gz XWJJJMUKRSIJCX-OAHLLOKOSA-N 0 3 312.388 4.159 20 30 DIEDHN COCc1ccccc1/C=C(\C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000509796911 340279352 /nfs/dbraw/zinc/27/93/52/340279352.db2.gz DUFDAORHXBFKEZ-NWNNTGRJSA-N 0 3 320.436 4.459 20 30 DIEDHN CC(C)(C#N)CCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511071724 340319915 /nfs/dbraw/zinc/31/99/15/340319915.db2.gz BFRZOUPFQPMNIV-QGZVFWFLSA-N 0 3 306.400 4.488 20 30 DIEDHN CC(C)(C#N)CCN1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511071723 340319926 /nfs/dbraw/zinc/31/99/26/340319926.db2.gz BFRZOUPFQPMNIV-KRWDZBQOSA-N 0 3 306.400 4.488 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCCc2ccccc21 ZINC000512192736 340351763 /nfs/dbraw/zinc/35/17/63/340351763.db2.gz BSTFLKGSOYARHT-HXUWFJFHSA-N 0 3 311.425 4.228 20 30 DIEDHN C[C@@H](NC1CC(C)(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512289517 340355650 /nfs/dbraw/zinc/35/56/50/340355650.db2.gz SRAYMSDIHKTPCW-FNMUINPESA-N 0 3 308.400 4.468 20 30 DIEDHN CCCN(CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000512449959 340362403 /nfs/dbraw/zinc/36/24/03/340362403.db2.gz MWNLGNJPDSJMKU-UHFFFAOYSA-N 0 3 324.399 4.182 20 30 DIEDHN N#Cc1csc(CNCCn2ccc3cc(Cl)ccc32)c1 ZINC000512501670 340364364 /nfs/dbraw/zinc/36/43/64/340364364.db2.gz NPAGALUIQFMYPR-UHFFFAOYSA-N 0 3 315.829 4.018 20 30 DIEDHN C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000512614588 340369075 /nfs/dbraw/zinc/36/90/75/340369075.db2.gz WNDPHGWOJKCSMZ-CYBMUJFWSA-N 0 3 312.363 4.219 20 30 DIEDHN CCC(CC)[C@@H](CCN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000512614232 340369097 /nfs/dbraw/zinc/36/90/97/340369097.db2.gz VHEPZDRJJSKOGG-FZKQIMNGSA-N 0 3 306.425 4.189 20 30 DIEDHN Cc1ccc2c(CCN[C@@H](C)c3ccc(C#N)cc3F)c[nH]c2c1 ZINC000512616541 340369299 /nfs/dbraw/zinc/36/92/99/340369299.db2.gz BJYSSKYNGXIGSA-AWEZNQCLSA-N 0 3 321.399 4.380 20 30 DIEDHN Cc1ccc2c(CCN[C@H](C)c3ccc(C#N)cc3F)c[nH]c2c1 ZINC000512616542 340369301 /nfs/dbraw/zinc/36/93/01/340369301.db2.gz BJYSSKYNGXIGSA-CQSZACIVSA-N 0 3 321.399 4.380 20 30 DIEDHN C[C@@H](NCCc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512636918 340370258 /nfs/dbraw/zinc/37/02/58/340370258.db2.gz PUAQAOBZWHCQAS-CQSZACIVSA-N 0 3 319.383 4.139 20 30 DIEDHN C[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000512641555 340370554 /nfs/dbraw/zinc/37/05/54/340370554.db2.gz IFODSEYQAWUUQB-CHWSQXEVSA-N 0 3 302.418 4.288 20 30 DIEDHN Cc1cccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654794 340371246 /nfs/dbraw/zinc/37/12/46/340371246.db2.gz OVNMWBUWRZIKSD-LSDHHAIUSA-N 0 3 312.388 4.124 20 30 DIEDHN CCS[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000512655779 340371411 /nfs/dbraw/zinc/37/14/11/340371411.db2.gz WLXBGEZSMDNEFF-CSMYWGQOSA-N 0 3 306.450 4.412 20 30 DIEDHN Cc1ccccc1O[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000512660142 340371551 /nfs/dbraw/zinc/37/15/51/340371551.db2.gz LIBBIIQSOLAIBW-HUUCEWRRSA-N 0 3 312.388 4.124 20 30 DIEDHN N#Cc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)s1 ZINC000512766091 340376597 /nfs/dbraw/zinc/37/65/97/340376597.db2.gz BVANKVMBWYDRLV-UHFFFAOYSA-N 0 3 314.429 4.214 20 30 DIEDHN CC(C)COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173997125 340379753 /nfs/dbraw/zinc/37/97/53/340379753.db2.gz XKFGLHAOKZYCQL-INIZCTEOSA-N 0 3 308.425 4.444 20 30 DIEDHN CC[C@]1(CN[C@H](C)c2cccc(C#N)c2)OCCc2ccccc21 ZINC000517442565 340469922 /nfs/dbraw/zinc/46/99/22/340469922.db2.gz UVHGFSXRIHYDHA-IIBYNOLFSA-N 0 3 320.436 4.087 20 30 DIEDHN COc1cc(Cl)c(CNCC(C)(C)CCC#N)cc1Cl ZINC000522028482 340563106 /nfs/dbraw/zinc/56/31/06/340563106.db2.gz DXWQJJSOFNJZFI-UHFFFAOYSA-N 0 3 315.244 4.422 20 30 DIEDHN C=CC[C@@H](C)N[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627548 340606003 /nfs/dbraw/zinc/60/60/03/340606003.db2.gz MKBXBUCZWDWVAD-APWZRJJASA-N 0 3 308.425 4.229 20 30 DIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000322717234 340705979 /nfs/dbraw/zinc/70/59/79/340705979.db2.gz ABYIVGJZZPSPAP-CQSZACIVSA-N 0 3 308.400 4.427 20 30 DIEDHN C=C(CC)CN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000538005111 340806934 /nfs/dbraw/zinc/80/69/34/340806934.db2.gz TYLRLYYISPMCNK-UHFFFAOYSA-N 0 3 320.502 4.031 20 30 DIEDHN C[C@H](NCCc1ccc(Cl)s1)c1ccc(C#N)c(F)c1 ZINC000538508719 340829661 /nfs/dbraw/zinc/82/96/61/340829661.db2.gz ZYVAGZNIINFGEY-JTQLQIEISA-N 0 3 308.809 4.306 20 30 DIEDHN Cc1cccc(OC[C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508623 340829688 /nfs/dbraw/zinc/82/96/88/340829688.db2.gz VVUWRUSAYLZHEV-CABCVRRESA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC000539088315 340872204 /nfs/dbraw/zinc/87/22/04/340872204.db2.gz RMWZBQHPEUODDC-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN C=C(C)COCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000539522583 340889167 /nfs/dbraw/zinc/88/91/67/340889167.db2.gz PSZNPZHNBWYAGA-UHFFFAOYSA-N 0 3 305.805 4.282 20 30 DIEDHN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(CC#N)cc1)[C@H]2C ZINC000542256929 341002246 /nfs/dbraw/zinc/00/22/46/341002246.db2.gz CIVFASBJLUPBMR-HOTGVXAUSA-N 0 3 320.436 4.269 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc2cccnc12 ZINC000542317982 341004439 /nfs/dbraw/zinc/00/44/39/341004439.db2.gz KYVOZXBDRHXCTQ-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN C[C@H](CN1CCC(CC#N)CC1)c1cccc(Br)c1 ZINC000542852721 341023531 /nfs/dbraw/zinc/02/35/31/341023531.db2.gz AQDOVBSHVQQXNT-CYBMUJFWSA-N 0 3 321.262 4.178 20 30 DIEDHN CC(C)N(Cc1ccc(CC#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000543139565 341033822 /nfs/dbraw/zinc/03/38/22/341033822.db2.gz PSCCAPXNQDFXJR-UHFFFAOYSA-N 0 3 323.396 4.071 20 30 DIEDHN N#CCC1CCN(CCCc2ccccc2Br)CC1 ZINC000543185226 341035788 /nfs/dbraw/zinc/03/57/88/341035788.db2.gz VVXLIHPJRUTYGV-UHFFFAOYSA-N 0 3 321.262 4.007 20 30 DIEDHN CC(C)CN(Cc1cnn(CC(C)C)c1)Cc1ccc(C#N)cc1 ZINC000543973909 341064844 /nfs/dbraw/zinc/06/48/44/341064844.db2.gz PTJDUBSZERQQAQ-UHFFFAOYSA-N 0 3 324.472 4.069 20 30 DIEDHN C[C@H](CCc1cccc(F)c1)N(C)Cc1cc(C#N)ccc1F ZINC000543982879 341064939 /nfs/dbraw/zinc/06/49/39/341064939.db2.gz QCMIEIKEYSEKDV-CQSZACIVSA-N 0 3 314.379 4.290 20 30 DIEDHN N#CCc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000544141554 341071972 /nfs/dbraw/zinc/07/19/72/341071972.db2.gz BUYCGBUSKGTESS-LJQANCHMSA-N 0 3 308.450 4.043 20 30 DIEDHN C=CCC[C@H](C)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575909 341086660 /nfs/dbraw/zinc/08/66/60/341086660.db2.gz IKNMDHBTZTUJJC-LPHOPBHVSA-N 0 3 308.425 4.311 20 30 DIEDHN C=CCN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000544599256 341087979 /nfs/dbraw/zinc/08/79/79/341087979.db2.gz YGKIOPJBRYHFND-UHFFFAOYSA-N 0 3 318.420 4.288 20 30 DIEDHN C[C@@H](NC1CC(OCc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000545206792 341113972 /nfs/dbraw/zinc/11/39/72/341113972.db2.gz UCQTWEAFHDPAFO-RWBZWWBESA-N 0 3 324.399 4.096 20 30 DIEDHN C=CCNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132437806 341123192 /nfs/dbraw/zinc/12/31/92/341123192.db2.gz WZEWEGJWMVJRGT-UHFFFAOYSA-N 0 3 323.436 4.047 20 30 DIEDHN C[C@H](NC1CC(OCc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000545914659 341145865 /nfs/dbraw/zinc/14/58/65/341145865.db2.gz LLKSNQLMEHLDBF-YCMKEVRSSA-N 0 3 324.399 4.096 20 30 DIEDHN C=CC[C@@H](C)NCc1cc(Br)ccc1OC(F)F ZINC000134750022 341223227 /nfs/dbraw/zinc/22/32/27/341223227.db2.gz MDMDPEFBBXAZHC-SECBINFHSA-N 0 3 320.177 4.105 20 30 DIEDHN COc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000135097374 341230846 /nfs/dbraw/zinc/23/08/46/341230846.db2.gz FNYVKUJUPBBUJA-UHFFFAOYSA-N 0 3 308.425 4.128 20 30 DIEDHN C[C@@H]1C[C@@H](C)N1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770083 341231627 /nfs/dbraw/zinc/23/16/27/341231627.db2.gz FKWCNPWONUBVGO-QZTJIDSGSA-N 0 3 304.437 4.369 20 30 DIEDHN C[C@H]1C[C@H](C)N1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770084 341231660 /nfs/dbraw/zinc/23/16/60/341231660.db2.gz FKWCNPWONUBVGO-ROUUACIJSA-N 0 3 304.437 4.369 20 30 DIEDHN C=CCOCCCN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000548094475 341246660 /nfs/dbraw/zinc/24/66/60/341246660.db2.gz QQOHTEBAMHMPEV-UHFFFAOYSA-N 0 3 317.473 4.246 20 30 DIEDHN C[C@@H](NCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000079076799 341253095 /nfs/dbraw/zinc/25/30/95/341253095.db2.gz ZYOYKOSCHNHGDJ-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN C[C@@H](NCCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000548936551 341281742 /nfs/dbraw/zinc/28/17/42/341281742.db2.gz HPLXENAVWBXCBO-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN CC[C@H](CC#N)NCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000549377665 341292809 /nfs/dbraw/zinc/29/28/09/341292809.db2.gz MYVWMQJAXQQJGQ-GOSISDBHSA-N 0 3 314.379 4.379 20 30 DIEDHN C=CCOCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000549535966 341296814 /nfs/dbraw/zinc/29/68/14/341296814.db2.gz NGVOELPPVXKNRE-UHFFFAOYSA-N 0 3 313.363 4.087 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709693 341301004 /nfs/dbraw/zinc/30/10/04/341301004.db2.gz NGPNRAVQYFITDE-DJSGYFEHSA-N 0 3 324.346 4.318 20 30 DIEDHN CC(F)(F)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000550857837 341324758 /nfs/dbraw/zinc/32/47/58/341324758.db2.gz ZUJYWPVBSWUZRH-GOSISDBHSA-N 0 3 312.363 4.447 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000248860663 341388692 /nfs/dbraw/zinc/38/86/92/341388692.db2.gz PQXWGQJSJVDDTE-LXZKKBNFSA-N 0 3 316.420 4.347 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994713 341391456 /nfs/dbraw/zinc/39/14/56/341391456.db2.gz ONUBLTSBJQUGHP-WWGRRREGSA-N 0 3 304.821 4.226 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(Br)cc1F ZINC000565330649 341523824 /nfs/dbraw/zinc/52/38/24/341523824.db2.gz AHVOXFMJXOYUDO-JTQLQIEISA-N 0 3 313.214 4.179 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000566708302 341565898 /nfs/dbraw/zinc/56/58/98/341565898.db2.gz OAZOLVBWZZCPLL-HLAWJBBLSA-N 0 3 318.420 4.055 20 30 DIEDHN COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c(C)c1 ZINC000573657066 341735069 /nfs/dbraw/zinc/73/50/69/341735069.db2.gz WOVUTFABPQICMZ-NRFANRHFSA-N 0 3 320.436 4.433 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693888 341858760 /nfs/dbraw/zinc/85/87/60/341858760.db2.gz LSIPAKIZTCCJRX-YOEHRIQHSA-N 0 3 310.372 4.400 20 30 DIEDHN C=CCC[C@H](NC[C@@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564705 341918162 /nfs/dbraw/zinc/91/81/62/341918162.db2.gz SJTHCBDRIRRPCY-MAUKXSAKSA-N 0 3 317.454 4.426 20 30 DIEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CCC#N)CC1 ZINC000577731659 341932653 /nfs/dbraw/zinc/93/26/53/341932653.db2.gz MUUCXHRSPOZALT-QINSGFPZSA-N 0 3 313.401 4.014 20 30 DIEDHN CC(C)c1nc([C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566134 519866250 /nfs/dbraw/zinc/86/62/50/519866250.db2.gz WFCZVWQMZIENJA-RHSMWYFYSA-N 0 3 324.428 4.005 20 30 DIEDHN C[C@@H](NCc1ccc(-c2cccnc2)cc1)c1cccc(C#N)c1 ZINC000365044699 525516638 /nfs/dbraw/zinc/51/66/38/525516638.db2.gz RRFPEUMXXHGOIC-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000181861787 525523136 /nfs/dbraw/zinc/52/31/36/525523136.db2.gz IUDSTLUWSWEMBQ-OAHLLOKOSA-N 0 3 323.415 4.148 20 30 DIEDHN C[C@H](N[C@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965889 525613757 /nfs/dbraw/zinc/61/37/57/525613757.db2.gz QCQSUUWZVWJGEV-ZBEGNZNMSA-N 0 3 300.402 4.487 20 30 DIEDHN C[C@@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072134 525626918 /nfs/dbraw/zinc/62/69/18/525626918.db2.gz OUOUPSYHTCCGDA-MMOPVJDHSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622854 525628954 /nfs/dbraw/zinc/62/89/54/525628954.db2.gz WDAZUMWUAROFIM-XPGWFJOJSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072172 525669457 /nfs/dbraw/zinc/66/94/57/525669457.db2.gz OUOUPSYHTCCGDA-PLMTUMEDSA-N 0 3 320.436 4.377 20 30 DIEDHN N#Cc1cccc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000264367516 526708844 /nfs/dbraw/zinc/70/88/44/526708844.db2.gz KTETYAPLOVSBLQ-UHFFFAOYSA-N 0 3 306.409 4.169 20 30 DIEDHN Cn1cc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1C#N ZINC000190967507 527219353 /nfs/dbraw/zinc/21/93/53/527219353.db2.gz UDXAWIIJCMHNNL-GOSISDBHSA-N 0 3 313.832 4.181 20 30 DIEDHN CCOc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272181156 535410823 /nfs/dbraw/zinc/41/08/23/535410823.db2.gz FVUGKPSUEBPKOI-OAHLLOKOSA-N 0 3 306.409 4.297 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924854 536902012 /nfs/dbraw/zinc/90/20/12/536902012.db2.gz DXIFZVWFKGHYHS-GJZGRUSLSA-N 0 3 324.424 4.296 20 30 DIEDHN N#CCCCOc1cccc(CNCc2coc3ccccc23)c1 ZINC000339407140 1035551730 /nfs/dbraw/zinc/55/17/30/1035551730.db2.gz LVLMHAQNZZZPPU-UHFFFAOYSA-N 0 3 320.392 4.405 20 30 DIEDHN C=CCc1cc(CNCc2coc3ccccc23)cc(OC)c1O ZINC000339405547 1035552080 /nfs/dbraw/zinc/55/20/80/1035552080.db2.gz BMXZBRPLBIAGMH-UHFFFAOYSA-N 0 3 323.392 4.165 20 30 DIEDHN C=CCOc1ccc(CNCc2coc3ccccc23)cc1OC ZINC000339409454 1035554403 /nfs/dbraw/zinc/55/44/03/1035554403.db2.gz JNQDZZLQHSGAME-UHFFFAOYSA-N 0 3 323.392 4.296 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154324967 1035868661 /nfs/dbraw/zinc/86/86/61/1035868661.db2.gz DANKJSVJBPNVJJ-KDOFPFPSSA-N 0 3 322.408 4.131 20 30 DIEDHN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154332860 1035871917 /nfs/dbraw/zinc/87/19/17/1035871917.db2.gz FHOXWCJDJVIPPE-WFASDCNBSA-N 0 3 311.454 4.305 20 30 DIEDHN CC1(C)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001167288062 1036442788 /nfs/dbraw/zinc/44/27/88/1036442788.db2.gz XGGXIEGDKMNUKD-UHFFFAOYSA-N 0 3 311.347 4.059 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000157778106 1036700900 /nfs/dbraw/zinc/70/09/00/1036700900.db2.gz HJERBZVBKLVKJB-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN CN(C)[C@@H](CNc1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000610322519 1036775248 /nfs/dbraw/zinc/77/52/48/1036775248.db2.gz BBWWPSDXZAEORN-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN C[C@H](NCc1ccc(OCC(F)F)cc1)c1cccc(C#N)c1 ZINC000610344928 1036838504 /nfs/dbraw/zinc/83/85/04/1036838504.db2.gz MVZSRRAYPXPFFG-ZDUSSCGKSA-N 0 3 316.351 4.053 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1SC ZINC000610345169 1036839587 /nfs/dbraw/zinc/83/95/87/1036839587.db2.gz WCHZFSOCWLUECW-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN C=CCCCCCN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001167360949 1036979620 /nfs/dbraw/zinc/97/96/20/1036979620.db2.gz VYFGGDJOCMKCTO-MRXNPFEDSA-N 0 3 322.443 4.390 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccc(Cl)c2)n1 ZINC000155770626 1037179958 /nfs/dbraw/zinc/17/99/58/1037179958.db2.gz NVBVNTUKLZIFJR-LBPRGKRZSA-N 0 3 319.817 4.166 20 30 DIEDHN CCCCCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001125469650 1037271072 /nfs/dbraw/zinc/27/10/72/1037271072.db2.gz WTLBEPONIFSBRY-UHFFFAOYSA-N 0 3 308.510 4.071 20 30 DIEDHN C=CCCOCCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000580848792 1037329618 /nfs/dbraw/zinc/32/96/18/1037329618.db2.gz PXHSACPRUMBURQ-UHFFFAOYSA-N 0 3 322.861 4.146 20 30 DIEDHN CCCN(Cc1cccc(C#N)c1F)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167443263 1037413539 /nfs/dbraw/zinc/41/35/39/1037413539.db2.gz QYNHGZAOJJXBMP-SJORKVTESA-N 0 3 318.436 4.113 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)cc2C)c1 ZINC000073012110 1037702697 /nfs/dbraw/zinc/70/26/97/1037702697.db2.gz HDJCBKODTGBBOI-IBGZPJMESA-N 0 3 308.425 4.274 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CCO2 ZINC000933489419 1038020272 /nfs/dbraw/zinc/02/02/72/1038020272.db2.gz SARLUFSXLGLCEJ-OAHLLOKOSA-N 0 3 320.436 4.273 20 30 DIEDHN C[C@@H](CCC#N)CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567645 1038041488 /nfs/dbraw/zinc/04/14/88/1038041488.db2.gz IZSNGMYPYUYTPW-KSSFIOAISA-N 0 3 313.832 4.354 20 30 DIEDHN COc1ccc(C(N[C@H](C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000602988215 1038120127 /nfs/dbraw/zinc/12/01/27/1038120127.db2.gz CCSKAZOUIZQQAA-OAHLLOKOSA-N 0 3 324.424 4.075 20 30 DIEDHN C[C@@H](c1ccccc1Cl)N(C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590613 1038128481 /nfs/dbraw/zinc/12/84/81/1038128481.db2.gz RTABSRRSMIPEDR-DZGCQCFKSA-N 0 3 320.864 4.166 20 30 DIEDHN C[C@H](CSc1ccccc1)N(C)Cc1cc(C#N)cs1 ZINC000593644851 1038192727 /nfs/dbraw/zinc/19/27/27/1038192727.db2.gz NRLGJUIGFDDNLA-CYBMUJFWSA-N 0 3 302.468 4.232 20 30 DIEDHN C[C@@H](CSc1ccccc1)N(C)Cc1cc(C#N)cs1 ZINC000593644852 1038193037 /nfs/dbraw/zinc/19/30/37/1038193037.db2.gz NRLGJUIGFDDNLA-ZDUSSCGKSA-N 0 3 302.468 4.232 20 30 DIEDHN C[C@@H](NCC1(C(F)(F)F)CCCC1)c1ccc(C#N)cc1F ZINC000599086385 1038236808 /nfs/dbraw/zinc/23/68/08/1038236808.db2.gz KYLKAFUPASNTGJ-LLVKDONJSA-N 0 3 314.326 4.471 20 30 DIEDHN C=CCC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000796679093 1038237975 /nfs/dbraw/zinc/23/79/75/1038237975.db2.gz MTMHWXPIBKZMIO-HOTGVXAUSA-N 0 3 305.805 4.264 20 30 DIEDHN C=CCCC[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000091509479 1038261034 /nfs/dbraw/zinc/26/10/34/1038261034.db2.gz TYGWNGXTXDIQCV-KRWDZBQOSA-N 0 3 302.462 4.227 20 30 DIEDHN Cc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1C#N ZINC000599252815 1038262782 /nfs/dbraw/zinc/26/27/82/1038262782.db2.gz UCHBXEPGHWXNQG-UHFFFAOYSA-N 0 3 320.436 4.048 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760616 1038263483 /nfs/dbraw/zinc/26/34/83/1038263483.db2.gz MGZLJYDDOKAQFK-BFUOFWGJSA-N 0 3 321.380 4.195 20 30 DIEDHN CC[C@@H](NCc1ccc(C)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000599353572 1038273803 /nfs/dbraw/zinc/27/38/03/1038273803.db2.gz IZQXBIGMDKYLHE-GOSISDBHSA-N 0 3 309.369 4.016 20 30 DIEDHN CCCN(Cc1ccc(OC)cc1)Cc1ccc(F)c(C#N)c1 ZINC000610719290 1038274172 /nfs/dbraw/zinc/27/41/72/1038274172.db2.gz SBKWYFROWPRKJR-UHFFFAOYSA-N 0 3 312.388 4.118 20 30 DIEDHN Cc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1C#N ZINC000599357787 1038274721 /nfs/dbraw/zinc/27/47/21/1038274721.db2.gz YUFSLFGWKZRCBX-UHFFFAOYSA-N 0 3 300.352 4.170 20 30 DIEDHN N#Cc1ccc(CNCCc2cccc(-c3ccccc3)c2)o1 ZINC000610760841 1038299020 /nfs/dbraw/zinc/29/90/20/1038299020.db2.gz QLWXFJWWMAXXJA-UHFFFAOYSA-N 0 3 302.377 4.151 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610829929 1038372594 /nfs/dbraw/zinc/37/25/94/1038372594.db2.gz SONBJXUUMVFYAN-ZIAGYGMSSA-N 0 3 309.369 4.187 20 30 DIEDHN CCc1nc2c(s1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829793 1038372774 /nfs/dbraw/zinc/37/27/74/1038372774.db2.gz LKXALVCKBAOKCO-DOMZBBRYSA-N 0 3 311.454 4.305 20 30 DIEDHN COc1ccc(CN2CCC[C@@H]2c2ccccc2C)cc1C#N ZINC000610992000 1038419117 /nfs/dbraw/zinc/41/91/17/1038419117.db2.gz YRUMDZNQZMWLQD-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN N#Cc1cc(CN(Cc2ccc(F)cc2)C2CCCCC2)ccn1 ZINC000610991910 1038422545 /nfs/dbraw/zinc/42/25/45/1038422545.db2.gz UERYEGLONZNOTA-UHFFFAOYSA-N 0 3 323.415 4.427 20 30 DIEDHN Cc1ccc([C@H]2[C@@H](C)CCCN2Cc2ccnc(C#N)c2)cc1 ZINC000610993531 1038424671 /nfs/dbraw/zinc/42/46/71/1038424671.db2.gz WLHNYZVPYIGTAD-OXJNMPFZSA-N 0 3 305.425 4.235 20 30 DIEDHN CCCc1ccc([C@@H](NCc2ccnc(C#N)c2)C(C)C)cc1 ZINC000610994238 1038425919 /nfs/dbraw/zinc/42/59/19/1038425919.db2.gz PTKOAFJXQFUDME-FQEVSTJZSA-N 0 3 307.441 4.393 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(OCCC)cc2)cc1 ZINC000236829634 1038447613 /nfs/dbraw/zinc/44/76/13/1038447613.db2.gz NQCXPTVBLDOITN-UHFFFAOYSA-N 0 3 323.436 4.167 20 30 DIEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@H]1c1ccccc1 ZINC001167499503 1038453577 /nfs/dbraw/zinc/45/35/77/1038453577.db2.gz JVIDBQZBGRDCML-HNAYVOBHSA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2cccc(Cl)c2)cc1 ZINC000161129406 1038566692 /nfs/dbraw/zinc/56/66/92/1038566692.db2.gz MNTCMRDKNJBPDI-CQSZACIVSA-N 0 3 314.816 4.263 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cc(C)sc2C)ccc1C#N ZINC000234937652 1038575983 /nfs/dbraw/zinc/57/59/83/1038575983.db2.gz AKZPHADFOQPLQG-LBPRGKRZSA-N 0 3 300.427 4.096 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1ccc(CC#N)cc1)C(C)(C)C ZINC000934285990 1038580577 /nfs/dbraw/zinc/58/05/77/1038580577.db2.gz CEWZQEBFDLSBQJ-LJQANCHMSA-N 0 3 307.441 4.333 20 30 DIEDHN Cc1cccnc1[C@H](NCc1ccc(CC#N)cc1)C(C)(C)C ZINC000934285989 1038581309 /nfs/dbraw/zinc/58/13/09/1038581309.db2.gz CEWZQEBFDLSBQJ-IBGZPJMESA-N 0 3 307.441 4.333 20 30 DIEDHN COc1cc(CN[C@H](C)c2cc(C)sc2C)ccc1C#N ZINC000234949695 1038590913 /nfs/dbraw/zinc/59/09/13/1038590913.db2.gz AKZPHADFOQPLQG-GFCCVEGCSA-N 0 3 300.427 4.096 20 30 DIEDHN C=CC[C@@H](CC)NCc1csc(-c2ccc(OC)cc2)n1 ZINC000684930490 1038716989 /nfs/dbraw/zinc/71/69/89/1038716989.db2.gz DDMJPZWVOKKAJH-CQSZACIVSA-N 0 3 302.443 4.263 20 30 DIEDHN N#Cc1cccc(C2(N[C@@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000342791467 1038788560 /nfs/dbraw/zinc/78/85/60/1038788560.db2.gz NNTOBNJVHRGVAE-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCCCCCC1 ZINC000173900454 1038812755 /nfs/dbraw/zinc/81/27/55/1038812755.db2.gz GQYUHHPYFAFQNM-OAHLLOKOSA-N 0 3 309.413 4.110 20 30 DIEDHN CCCCOc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000174275662 1038922194 /nfs/dbraw/zinc/92/21/94/1038922194.db2.gz VOMTZONMQZVUGU-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN C=CCN1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278054825 1039114472 /nfs/dbraw/zinc/11/44/72/1039114472.db2.gz DSIGVCHVFJENCE-CQSZACIVSA-N 0 3 314.454 4.184 20 30 DIEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000442799182 1039235236 /nfs/dbraw/zinc/23/52/36/1039235236.db2.gz KAWIASIXDQDOEI-HNNXBMFYSA-N 0 3 319.408 4.022 20 30 DIEDHN CCN(CCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000539588722 1039295731 /nfs/dbraw/zinc/29/57/31/1039295731.db2.gz QAQYNEPBIKKRFT-UHFFFAOYSA-N 0 3 309.251 4.211 20 30 DIEDHN CC(C)(C#N)CCN[C@H](COc1ccccc1)c1ccccc1 ZINC000539615864 1039301898 /nfs/dbraw/zinc/30/18/98/1039301898.db2.gz PTRLEDFSNPYPAQ-LJQANCHMSA-N 0 3 308.425 4.336 20 30 DIEDHN COc1ccc(C2CCN(Cc3cc(C#N)cs3)CC2)cc1 ZINC000539835637 1039361484 /nfs/dbraw/zinc/36/14/84/1039361484.db2.gz JCRLGHHDBAHQPV-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000541625780 1039720216 /nfs/dbraw/zinc/72/02/16/1039720216.db2.gz KSWXDQXIJXEFPS-HZPDHXFCSA-N 0 3 322.518 4.238 20 30 DIEDHN CC(C)[C@H](NCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000179088866 1039732429 /nfs/dbraw/zinc/73/24/29/1039732429.db2.gz MTOJDRBDPHOPFM-SFHVURJKSA-N 0 3 300.352 4.323 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1[O-] ZINC000271852881 1039856263 /nfs/dbraw/zinc/85/62/63/1039856263.db2.gz UDCCVBKSWRBHRX-UHFFFAOYSA-N 0 3 312.800 4.005 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152012656 1039940616 /nfs/dbraw/zinc/94/06/16/1039940616.db2.gz PTYSVRJATUILHS-GJZGRUSLSA-N 0 3 323.440 4.356 20 30 DIEDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271966561 1039941287 /nfs/dbraw/zinc/94/12/87/1039941287.db2.gz VOZRDIWYZKJJHY-HNNXBMFYSA-N 0 3 323.415 4.148 20 30 DIEDHN Cc1cc(CNCc2ccc(C(F)(F)F)cc2C)ccc1C#N ZINC000443997791 1040008562 /nfs/dbraw/zinc/00/85/62/1040008562.db2.gz RQLIEFFNUWVJEE-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C(F)(F)F)cs1 ZINC000657889011 1040032541 /nfs/dbraw/zinc/03/25/41/1040032541.db2.gz OZOMJBNBNDEHQH-QWRGUYRKSA-N 0 3 304.381 4.386 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)s1 ZINC000657928882 1040186755 /nfs/dbraw/zinc/18/67/55/1040186755.db2.gz WBVZFEWLESRNTR-GOEBONIOSA-N 0 3 313.470 4.430 20 30 DIEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc(C2CC2)cs1 ZINC000647375070 1040355947 /nfs/dbraw/zinc/35/59/47/1040355947.db2.gz RBOHXZBAZZQSDV-SNVBAGLBSA-N 0 3 313.407 4.053 20 30 DIEDHN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1ccc2ccccc2n1 ZINC000892427845 1040376134 /nfs/dbraw/zinc/37/61/34/1040376134.db2.gz QZCWFMYMYJVACM-WTXIUTQJSA-N 0 3 322.433 4.085 20 30 DIEDHN CC[C@H](C)N(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000179695176 1040527198 /nfs/dbraw/zinc/52/71/98/1040527198.db2.gz NJNCIGJJGFRZIG-INIZCTEOSA-N 0 3 318.424 4.007 20 30 DIEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000685782556 1040629828 /nfs/dbraw/zinc/62/98/28/1040629828.db2.gz KZFNCKHZOVTUPY-MRXNPFEDSA-N 0 3 315.376 4.243 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccncc1 ZINC000356195368 1040814278 /nfs/dbraw/zinc/81/42/78/1040814278.db2.gz QQINHRIDKWWKJD-INIZCTEOSA-N 0 3 319.330 4.213 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000613255224 1040844261 /nfs/dbraw/zinc/84/42/61/1040844261.db2.gz KNMPNKASWUNUQA-LDQXTDLNSA-N 0 3 320.436 4.457 20 30 DIEDHN Cc1cc(CN2CCC[C@H](C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468072 1041045344 /nfs/dbraw/zinc/04/53/44/1041045344.db2.gz AVHMLMSLKUKTOC-ZDUSSCGKSA-N 0 3 312.335 4.019 20 30 DIEDHN N#CC(C(=O)CCSc1cccc(Cl)c1)c1ccccn1 ZINC000808980185 1041058667 /nfs/dbraw/zinc/05/86/67/1041058667.db2.gz WAJJNPUTQANONX-AWEZNQCLSA-N 0 3 316.813 4.094 20 30 DIEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000180739371 1041203713 /nfs/dbraw/zinc/20/37/13/1041203713.db2.gz SQMOZPYHQVBUBK-MAUKXSAKSA-N 0 3 324.424 4.041 20 30 DIEDHN N#CC(C(=O)c1ccc(C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000659115945 1041221438 /nfs/dbraw/zinc/22/14/38/1041221438.db2.gz KYTFNHJEZSRDND-HNNXBMFYSA-N 0 3 308.406 4.388 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3sccc3c2)cc1 ZINC000810160022 1041327792 /nfs/dbraw/zinc/32/77/92/1041327792.db2.gz QXWGTVBRZRZXTI-AWEZNQCLSA-N 0 3 322.433 4.482 20 30 DIEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1OC ZINC000810208661 1041347863 /nfs/dbraw/zinc/34/78/63/1041347863.db2.gz FIVQEOTYYOZPFE-OALUTQOASA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)c(Br)c1 ZINC000480718509 1041381159 /nfs/dbraw/zinc/38/11/59/1041381159.db2.gz PXPVHBLIYVCRIA-INIZCTEOSA-N 0 3 319.246 4.085 20 30 DIEDHN N#CCCCCNCc1c(F)c(Cl)ccc1Br ZINC000892928945 1041422634 /nfs/dbraw/zinc/42/26/34/1041422634.db2.gz CVZCFFHBAOQLGR-UHFFFAOYSA-N 0 3 319.605 4.025 20 30 DIEDHN C=CCCCCCCNCc1csc(-c2ccccn2)n1 ZINC000314434938 1041464924 /nfs/dbraw/zinc/46/49/24/1041464924.db2.gz JUOIVTPGCGFLOQ-UHFFFAOYSA-N 0 3 301.459 4.431 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728713138 1041478219 /nfs/dbraw/zinc/47/82/19/1041478219.db2.gz MHOLSCOABLLYOE-HZPDHXFCSA-N 0 3 324.424 4.227 20 30 DIEDHN N#CC(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccn1 ZINC000041493369 1041537423 /nfs/dbraw/zinc/53/74/23/1041537423.db2.gz SBKXVLNTZRNUJJ-AWEZNQCLSA-N 0 3 322.364 4.439 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813213590 1041680515 /nfs/dbraw/zinc/68/05/15/1041680515.db2.gz NZZOXVIXKYZFBP-PSKZRQQASA-N 0 3 322.330 4.413 20 30 DIEDHN CCC(N=Nc1cc(F)cc(F)c1)c1ccc(Cl)c(N)c1 ZINC000814813575 1041871165 /nfs/dbraw/zinc/87/11/65/1041871165.db2.gz SXUSTZPGJDHNCD-UHFFFAOYSA-N 0 3 309.747 4.427 20 30 DIEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000190675577 1041891215 /nfs/dbraw/zinc/89/12/15/1041891215.db2.gz IOPJAENKRCYNQU-INIZCTEOSA-N 0 3 315.420 4.415 20 30 DIEDHN C=CC[C@@H](N[C@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580822 1041965612 /nfs/dbraw/zinc/96/56/12/1041965612.db2.gz RKHSQTXQLRTYSV-RTBURBONSA-N 0 3 324.424 4.226 20 30 DIEDHN C=C(Cl)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815593942 1041969581 /nfs/dbraw/zinc/96/95/81/1041969581.db2.gz BOIOGWPGDMBYCS-QGZVFWFLSA-N 0 3 301.817 4.408 20 30 DIEDHN N#Cc1cc(Cl)cc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000931556763 1042029074 /nfs/dbraw/zinc/02/90/74/1042029074.db2.gz RGEHNATUSLYAEM-ZIAGYGMSSA-N 0 3 314.738 4.198 20 30 DIEDHN C#CCCNC(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000830395032 1042129331 /nfs/dbraw/zinc/12/93/31/1042129331.db2.gz DAKZLISDXIQRND-UHFFFAOYSA-N 0 3 302.418 4.106 20 30 DIEDHN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000319677226 1042204104 /nfs/dbraw/zinc/20/41/04/1042204104.db2.gz ABSLKZGAXSDQLZ-GJZGRUSLSA-N 0 3 310.397 4.009 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822525429 1042288545 /nfs/dbraw/zinc/28/85/45/1042288545.db2.gz GQODFAGBKFWFMB-HZPDHXFCSA-N 0 3 319.408 4.042 20 30 DIEDHN COc1ccc2cc(CN(C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000015370237 1042373123 /nfs/dbraw/zinc/37/31/23/1042373123.db2.gz WAVRQHRGZKUCMT-UHFFFAOYSA-N 0 3 316.404 4.352 20 30 DIEDHN C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418608 1042411640 /nfs/dbraw/zinc/41/16/40/1042411640.db2.gz NYFJFRBZYPMHRJ-SWLSCSKDSA-N 0 3 318.852 4.234 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000614171347 1042421378 /nfs/dbraw/zinc/42/13/78/1042421378.db2.gz LETNWMNWNYACCC-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)OCO2 ZINC000614179216 1042422452 /nfs/dbraw/zinc/42/24/52/1042422452.db2.gz JSYYEIPIVUESNA-AWEZNQCLSA-N 0 3 322.408 4.067 20 30 DIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(C#N)cc1 ZINC000614179922 1042423365 /nfs/dbraw/zinc/42/33/65/1042423365.db2.gz RYKBWSIHQXOJTF-HNNXBMFYSA-N 0 3 303.409 4.210 20 30 DIEDHN Cn1cc([C@@H](NCc2ccc(C(C)(C)C#N)cc2)C(C)(C)C)cn1 ZINC000614179651 1042423537 /nfs/dbraw/zinc/42/35/37/1042423537.db2.gz WFBMXGBQLRPCFG-GOSISDBHSA-N 0 3 324.472 4.098 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](CC)c2ccccc2OCC)cc1 ZINC000237000507 1042451831 /nfs/dbraw/zinc/45/18/31/1042451831.db2.gz KQBKBKPTIJZUMG-FQEVSTJZSA-N 0 3 323.436 4.338 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000237022087 1042458378 /nfs/dbraw/zinc/45/83/78/1042458378.db2.gz CLYKIEDHYHQCET-SFHVURJKSA-N 0 3 319.408 4.139 20 30 DIEDHN COc1cc(CN(C)[C@@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000389888813 1042496782 /nfs/dbraw/zinc/49/67/82/1042496782.db2.gz MXVLDTJJFJYFSI-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCC#N)cc1 ZINC000729267122 1042517171 /nfs/dbraw/zinc/51/71/71/1042517171.db2.gz JTEIPULRUPXPNB-QGZVFWFLSA-N 0 3 312.438 4.160 20 30 DIEDHN COc1ccccc1C(C)(C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237105694 1042524772 /nfs/dbraw/zinc/52/47/72/1042524772.db2.gz HSZDPBZDUCUFSD-HNNXBMFYSA-N 0 3 324.424 4.011 20 30 DIEDHN C=C1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000513479506 1042547004 /nfs/dbraw/zinc/54/70/04/1042547004.db2.gz NAODBTLTPSWVGE-UHFFFAOYSA-N 0 3 321.346 4.043 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2cnccc21 ZINC000183175177 1042576162 /nfs/dbraw/zinc/57/61/62/1042576162.db2.gz CGOBLZKVIFXARO-UHFFFAOYSA-N 0 3 313.404 4.295 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618803458 1042600067 /nfs/dbraw/zinc/60/00/67/1042600067.db2.gz IOCSOBNSHYATHF-ACJLOTCBSA-N 0 3 321.380 4.113 20 30 DIEDHN N#CCc1ccc(CN[C@@H](CC(F)F)c2ccccc2)cc1 ZINC000420999487 1042621262 /nfs/dbraw/zinc/62/12/62/1042621262.db2.gz VACOEHCELJDILJ-KRWDZBQOSA-N 0 3 300.352 4.239 20 30 DIEDHN CCC[C@@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 ZINC000421884567 1042660859 /nfs/dbraw/zinc/66/08/59/1042660859.db2.gz QTHAFLACSDLVDX-QGZVFWFLSA-N 0 3 300.427 4.259 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000424189903 1042729563 /nfs/dbraw/zinc/72/95/63/1042729563.db2.gz FFBQJLVQISGQSQ-TVQRCGJNSA-N 0 3 302.727 4.141 20 30 DIEDHN Cc1cc(S[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)cn1 ZINC000425276166 1042787235 /nfs/dbraw/zinc/78/72/35/1042787235.db2.gz DBCXKACALUONLN-SFHVURJKSA-N 0 3 323.465 4.018 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000515511598 1042823612 /nfs/dbraw/zinc/82/36/12/1042823612.db2.gz OJWOQIOZXJIQGQ-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1Cl ZINC000517935237 1042903226 /nfs/dbraw/zinc/90/32/26/1042903226.db2.gz PWSSKOWQAHNHGX-CYBMUJFWSA-N 0 3 314.816 4.265 20 30 DIEDHN COc1cc(CN([C@@H](C)c2ccccc2)C2CC2)ccc1C#N ZINC000519790859 1043002172 /nfs/dbraw/zinc/00/21/72/1043002172.db2.gz PQDSQDQAOTVTQP-HNNXBMFYSA-N 0 3 306.409 4.292 20 30 DIEDHN C=CCN(Cc1ccc(OCc2csc(C)n2)cc1)C1CC1 ZINC000350267015 1043155556 /nfs/dbraw/zinc/15/55/56/1043155556.db2.gz NJBPFBUVQNWFSH-UHFFFAOYSA-N 0 3 314.454 4.181 20 30 DIEDHN C=CC[C@H](C(=O)Nc1cc(CN(C)C)ccc1C)c1ccccc1 ZINC000190098088 1043173974 /nfs/dbraw/zinc/17/39/74/1043173974.db2.gz JHIPGVMMHGGUHV-IBGZPJMESA-N 0 3 322.452 4.355 20 30 DIEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)c(C)c1 ZINC000442605349 1043398134 /nfs/dbraw/zinc/39/81/34/1043398134.db2.gz MSOOLOPEXSQJCD-AWEZNQCLSA-N 0 3 322.389 4.103 20 30 DIEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000925316518 1043409895 /nfs/dbraw/zinc/40/98/95/1043409895.db2.gz HEGIBAZJTCBKMF-GJZGRUSLSA-N 0 3 315.461 4.089 20 30 DIEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770629 1043421055 /nfs/dbraw/zinc/42/10/55/1043421055.db2.gz RTRYNLLFBBTIGX-WMZOPIPTSA-N 0 3 300.446 4.202 20 30 DIEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770626 1043422148 /nfs/dbraw/zinc/42/21/48/1043422148.db2.gz RTRYNLLFBBTIGX-AEFFLSMTSA-N 0 3 300.446 4.202 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634927 1043440308 /nfs/dbraw/zinc/44/03/08/1043440308.db2.gz MZEINKTWALMQRB-OXQOHEQNSA-N 0 3 307.437 4.329 20 30 DIEDHN C#CC[C@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccccc1 ZINC000274447563 1043456468 /nfs/dbraw/zinc/45/64/68/1043456468.db2.gz RSZWSUFLQRAFMP-IBGZPJMESA-N 0 3 321.420 4.186 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C(F)(F)F)s1)CC2 ZINC000872107458 1043461124 /nfs/dbraw/zinc/46/11/24/1043461124.db2.gz MOVNLGAGRCONEX-AWEZNQCLSA-N 0 3 322.355 4.416 20 30 DIEDHN Cc1[nH]c2c(cc(C)cc2CNCc2cccc(C#N)c2)c1C ZINC000521827416 1043480596 /nfs/dbraw/zinc/48/05/96/1043480596.db2.gz HECDAOGXCJZOJK-UHFFFAOYSA-N 0 3 303.409 4.255 20 30 DIEDHN C=CCCN(Cc1ccc(N2CCCC2)o1)Cc1ccccc1 ZINC001137068092 1043519872 /nfs/dbraw/zinc/51/98/72/1043519872.db2.gz WAXHCZMUAFOBPU-UHFFFAOYSA-N 0 3 310.441 4.458 20 30 DIEDHN CC(C)(CCC#N)CNCc1cc(-c2ccc(F)cc2F)on1 ZINC000873176649 1043523954 /nfs/dbraw/zinc/52/39/54/1043523954.db2.gz RVDZKDGUGADURT-UHFFFAOYSA-N 0 3 319.355 4.039 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 ZINC000124675688 1043561419 /nfs/dbraw/zinc/56/14/19/1043561419.db2.gz CLAZADKOFVEAMP-AWEZNQCLSA-N 0 3 312.388 4.141 20 30 DIEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(Cl)cc1 ZINC000124957645 1043576068 /nfs/dbraw/zinc/57/60/68/1043576068.db2.gz BHBSEVVTVODLSK-QGZVFWFLSA-N 0 3 314.816 4.461 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603077 1043606149 /nfs/dbraw/zinc/60/61/49/1043606149.db2.gz SJYJCZCAFBVGOJ-IFXJQAMLSA-N 0 3 320.440 4.208 20 30 DIEDHN Cc1ccc2ncc(CN[C@@H](CCCC#N)c3ccccc3)n2c1 ZINC000353915906 1043656751 /nfs/dbraw/zinc/65/67/51/1043656751.db2.gz OHDJKJROHRLHOG-IBGZPJMESA-N 0 3 318.424 4.168 20 30 DIEDHN CC(C)Cn1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353911337 1043657162 /nfs/dbraw/zinc/65/71/62/1043657162.db2.gz BIFJYNVXAUVZQY-LJQANCHMSA-N 0 3 310.445 4.064 20 30 DIEDHN Cc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000353914678 1043657260 /nfs/dbraw/zinc/65/72/60/1043657260.db2.gz KZDJPVLIAVLHKV-GOSISDBHSA-N 0 3 323.396 4.428 20 30 DIEDHN N#CCCC[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000353918078 1043657307 /nfs/dbraw/zinc/65/73/07/1043657307.db2.gz XJUIAOOCJUQLGV-KRWDZBQOSA-N 0 3 320.396 4.194 20 30 DIEDHN COc1cccc(CN[C@H](CCCC#N)c2ccccc2)c1OC ZINC000353913236 1043658083 /nfs/dbraw/zinc/65/80/83/1043658083.db2.gz HYJAUPAZUUOSRB-GOSISDBHSA-N 0 3 324.424 4.229 20 30 DIEDHN CC(C)(C)c1ncc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353918427 1043659619 /nfs/dbraw/zinc/65/96/19/1043659619.db2.gz YEWVTAFZIMEKAC-GOSISDBHSA-N 0 3 322.456 4.299 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C)CCCCC1 ZINC000125905072 1043678465 /nfs/dbraw/zinc/67/84/65/1043678465.db2.gz TXCXHKYEVYOCTI-CQSZACIVSA-N 0 3 309.413 4.110 20 30 DIEDHN CC[C@H](NCc1ccc(OC)c(OC)c1C)c1cccc(C#N)c1 ZINC000927123236 1043692983 /nfs/dbraw/zinc/69/29/83/1043692983.db2.gz OFDNCXJBFITMJK-SFHVURJKSA-N 0 3 324.424 4.125 20 30 DIEDHN C=CCCC[C@H](NCc1cc(C2CC2)nn1C)c1ccccc1 ZINC000895637023 1043722266 /nfs/dbraw/zinc/72/22/66/1043722266.db2.gz CHEUQMHXNCHCKD-IBGZPJMESA-N 0 3 309.457 4.485 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2cc3cc(Cl)sc3[nH]2)n1 ZINC000355118759 1043744093 /nfs/dbraw/zinc/74/40/93/1043744093.db2.gz BYGWJFAEHDEJGJ-MRVPVSSYSA-N 0 3 321.814 4.138 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cc(Br)no1 ZINC000718880913 1043757734 /nfs/dbraw/zinc/75/77/34/1043757734.db2.gz FKYFCHUTQSYSTA-LLVKDONJSA-N 0 3 303.244 4.276 20 30 DIEDHN N#Cc1cncc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000930217014 1043896769 /nfs/dbraw/zinc/89/67/69/1043896769.db2.gz QTWXKFIRKJLQBR-GOSISDBHSA-N 0 3 311.816 4.238 20 30 DIEDHN N#CC1CCC(CN2CCCn3c(cc4ccccc43)C2)CC1 ZINC000930494295 1043931846 /nfs/dbraw/zinc/93/18/46/1043931846.db2.gz IBGXIMZUPKTQAS-UHFFFAOYSA-N 0 3 307.441 4.177 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1Cc2ccccc21 ZINC000561349733 1043934532 /nfs/dbraw/zinc/93/45/32/1043934532.db2.gz XJAAUCCTMCZGIE-CEWLAPEOSA-N 0 3 302.421 4.098 20 30 DIEDHN N#CC1(CCN[C@@H](Cn2ccnc2)c2ccccc2)CCCCC1 ZINC000880570774 1044049843 /nfs/dbraw/zinc/04/98/43/1044049843.db2.gz YSGWIAIZIHSQIV-IBGZPJMESA-N 0 3 322.456 4.078 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2c2cccc3ccccc32)nc1 ZINC000562370083 1044105760 /nfs/dbraw/zinc/10/57/60/1044105760.db2.gz WOABLMRNPMQBIY-NRFANRHFSA-N 0 3 313.404 4.444 20 30 DIEDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000281394374 1044127949 /nfs/dbraw/zinc/12/79/49/1044127949.db2.gz YHIXHYLBWWWLCX-KPZWWZAWSA-N 0 3 310.372 4.044 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000130145250 1044194325 /nfs/dbraw/zinc/19/43/25/1044194325.db2.gz LNNPUVFXXYLXBW-HNNXBMFYSA-N 0 3 324.399 4.281 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc2c(c1)CCO2 ZINC000933492033 1044199812 /nfs/dbraw/zinc/19/98/12/1044199812.db2.gz VYNMXEUXAKTKNY-OAHLLOKOSA-N 0 3 320.436 4.273 20 30 DIEDHN COc1ccc([C@H]2CCCN2CCC2(C#N)CCCCC2)nc1 ZINC000934341382 1044240057 /nfs/dbraw/zinc/24/00/57/1044240057.db2.gz JVFXRFSEYLGWRP-GOSISDBHSA-N 0 3 313.445 4.091 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000475272464 1044340466 /nfs/dbraw/zinc/34/04/66/1044340466.db2.gz BTBOSWJOEIXWKN-UHFFFAOYSA-N 0 3 308.425 4.223 20 30 DIEDHN Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000186297290 1044344013 /nfs/dbraw/zinc/34/40/13/1044344013.db2.gz SQDZVBCEWWGFJC-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN C=C(C)[C@@H](NC[C@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317513 1044358086 /nfs/dbraw/zinc/35/80/86/1044358086.db2.gz ZZYFNYFFLJKTMB-CRAIPNDOSA-N 0 3 309.400 4.113 20 30 DIEDHN CCc1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000564410497 1044375348 /nfs/dbraw/zinc/37/53/48/1044375348.db2.gz PROIVVYIOOLJRC-UHFFFAOYSA-N 0 3 318.342 4.429 20 30 DIEDHN N#Cc1ccc(CN2CCCCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000565458033 1044436996 /nfs/dbraw/zinc/43/69/96/1044436996.db2.gz LWZSUGACCQSOHY-BUVUWQSRSA-N 0 3 317.436 4.411 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000186556131 1044482524 /nfs/dbraw/zinc/48/25/24/1044482524.db2.gz MIZBMWKAEGMOEF-HNNXBMFYSA-N 0 3 323.415 4.335 20 30 DIEDHN CC(C)(C)OCc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000101932453 1044493654 /nfs/dbraw/zinc/49/36/54/1044493654.db2.gz LYBWUMFDWIOZII-UHFFFAOYSA-N 0 3 308.425 4.163 20 30 DIEDHN CCc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041544559 1044503446 /nfs/dbraw/zinc/50/34/46/1044503446.db2.gz WVYDHKUHXHYFFB-INIZCTEOSA-N 0 3 318.376 4.199 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@@](C)(OC)CC2)cc1Cl ZINC000475572184 1044516366 /nfs/dbraw/zinc/51/63/66/1044516366.db2.gz OLODAGMXIUIODJ-GOSISDBHSA-N 0 3 323.864 4.296 20 30 DIEDHN N#CCc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000567234372 1044553651 /nfs/dbraw/zinc/55/36/51/1044553651.db2.gz XCXDXWOGCXLNMP-UHFFFAOYSA-N 0 3 320.436 4.364 20 30 DIEDHN Cc1cc(CN2CCC(OC3CCCCC3)CC2)ccc1C#N ZINC000362912475 1044561002 /nfs/dbraw/zinc/56/10/02/1044561002.db2.gz MDPGDVRUKJIXKF-UHFFFAOYSA-N 0 3 312.457 4.180 20 30 DIEDHN C=CCN(CCCCC(C)(C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000444587626 1044573819 /nfs/dbraw/zinc/57/38/19/1044573819.db2.gz AHUJNBHYBLALLP-UHFFFAOYSA-N 0 3 315.417 4.303 20 30 DIEDHN C=CC[C@@H]1N(Cc2nc3cccnc3s2)CCCC1(C)C ZINC000444777059 1044625989 /nfs/dbraw/zinc/62/59/89/1044625989.db2.gz RFFLGXMUQQBWHL-AWEZNQCLSA-N 0 3 301.459 4.258 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2c(C)cccc2C)CCCC1(C)C ZINC000444786383 1044630398 /nfs/dbraw/zinc/63/03/98/1044630398.db2.gz NUGSCLNFWIAVCM-KRWDZBQOSA-N 0 3 314.473 4.309 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000523556794 1044658159 /nfs/dbraw/zinc/65/81/59/1044658159.db2.gz NHGJGDKSYXXDBT-INIZCTEOSA-N 0 3 320.452 4.023 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000268797156 1044668066 /nfs/dbraw/zinc/66/80/66/1044668066.db2.gz IUQOVMPNVSXLQT-GJZGRUSLSA-N 0 3 322.408 4.131 20 30 DIEDHN CC[C@H](NCc1ccc(SC)c(C#N)c1)c1ccc(C#N)cc1 ZINC000886690183 1044680994 /nfs/dbraw/zinc/68/09/94/1044680994.db2.gz QRUJECRTFVXMPS-SFHVURJKSA-N 0 3 321.449 4.393 20 30 DIEDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(SC)c(C#N)c1 ZINC000886691310 1044681638 /nfs/dbraw/zinc/68/16/38/1044681638.db2.gz BBYOHCMGKKVRBT-GOSISDBHSA-N 0 3 324.449 4.066 20 30 DIEDHN CSc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1C#N ZINC000886690539 1044681968 /nfs/dbraw/zinc/68/19/68/1044681968.db2.gz XQQPGZXDYNNEDK-IBGZPJMESA-N 0 3 323.465 4.306 20 30 DIEDHN CC[C@@H](N[C@@H]1CCOc2c(C)cccc21)c1ccc(C#N)cc1 ZINC000365805650 1044705581 /nfs/dbraw/zinc/70/55/81/1044705581.db2.gz MINYVZFHRLNMTA-RTBURBONSA-N 0 3 306.409 4.431 20 30 DIEDHN CCN(Cc1ccc2c(n1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000569806772 1044714154 /nfs/dbraw/zinc/71/41/54/1044714154.db2.gz ABWTUHSVECEXOC-HNNXBMFYSA-N 0 3 305.425 4.025 20 30 DIEDHN C=CCC(C)(C)CNCc1csc(COc2ccccc2)n1 ZINC000570263211 1044745174 /nfs/dbraw/zinc/74/51/74/1044745174.db2.gz SMOYVPJCXHLOIO-UHFFFAOYSA-N 0 3 316.470 4.414 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475633216 1044803911 /nfs/dbraw/zinc/80/39/11/1044803911.db2.gz GEOKKGATTPDLGO-MISXGVKJSA-N 0 3 302.245 4.217 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000572104591 1044841870 /nfs/dbraw/zinc/84/18/70/1044841870.db2.gz MROJXVANAVEAIB-FRFSOERESA-N 0 3 301.821 4.009 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000572104605 1044842706 /nfs/dbraw/zinc/84/27/06/1044842706.db2.gz MROJXVANAVEAIB-UNEWFSDZSA-N 0 3 301.821 4.009 20 30 DIEDHN CCc1ccc([C@H](CC)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000572209391 1044848437 /nfs/dbraw/zinc/84/84/37/1044848437.db2.gz ZEPYRADHINQHRQ-IBGZPJMESA-N 0 3 308.425 4.370 20 30 DIEDHN N#Cc1ccc(CNCc2ccc(OC3CCCC3)cc2)cc1 ZINC000264373570 1044875783 /nfs/dbraw/zinc/87/57/83/1044875783.db2.gz MJETZGVHMABFAX-UHFFFAOYSA-N 0 3 306.409 4.169 20 30 DIEDHN C=CCC[C@@H](NCCc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000428447642 1044994762 /nfs/dbraw/zinc/99/47/62/1044994762.db2.gz MXZQAQJYGLWNFK-MRXNPFEDSA-N 0 3 323.396 4.169 20 30 DIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000411449377 1045009414 /nfs/dbraw/zinc/00/94/14/1045009414.db2.gz GBQGYYSTRPSBGD-AWEZNQCLSA-N 0 3 301.390 4.110 20 30 DIEDHN N#CC1(CN[C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000575858255 1045014052 /nfs/dbraw/zinc/01/40/52/1045014052.db2.gz QZMIVWCQJRIWCE-FQEVSTJZSA-N 0 3 304.437 4.124 20 30 DIEDHN C=CCOc1ccccc1CNC[C@@H](OCC)c1ccccc1 ZINC000446857720 1045056940 /nfs/dbraw/zinc/05/69/40/1045056940.db2.gz WVTCKYMHHQRIPH-HXUWFJFHSA-N 0 3 311.425 4.119 20 30 DIEDHN CC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000447537233 1045141537 /nfs/dbraw/zinc/14/15/37/1045141537.db2.gz UFCQKBGMYAGPPH-ROUUACIJSA-N 0 3 310.445 4.101 20 30 DIEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000447574842 1045147433 /nfs/dbraw/zinc/14/74/33/1045147433.db2.gz OXOVYHQHQOGJOM-FUHWJXTLSA-N 0 3 322.456 4.168 20 30 DIEDHN C[C@H]1C[C@H](C)N1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000525996954 1045147740 /nfs/dbraw/zinc/14/77/40/1045147740.db2.gz ZOVIWKNVIOZUMA-HOTGVXAUSA-N 0 3 306.409 4.120 20 30 DIEDHN N#CCCC[C@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC000601123790 1045190370 /nfs/dbraw/zinc/19/03/70/1045190370.db2.gz JOPCBOLKBZIFBT-FQEVSTJZSA-N 0 3 322.456 4.208 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C(F)F)nc1 ZINC000601127251 1045190759 /nfs/dbraw/zinc/19/07/59/1045190759.db2.gz CZBSWJWUIFRSMR-INIZCTEOSA-N 0 3 313.351 4.058 20 30 DIEDHN CN(CCCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000048331278 1045192372 /nfs/dbraw/zinc/19/23/72/1045192372.db2.gz XDKFXVPJRZWNSC-UHFFFAOYSA-N 0 3 320.845 4.174 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000924787366 1045197779 /nfs/dbraw/zinc/19/77/79/1045197779.db2.gz WRWVEDPPIMETKQ-GJZGRUSLSA-N 0 3 308.425 4.197 20 30 DIEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1cc(C)ccc1OC ZINC000578012736 1045199162 /nfs/dbraw/zinc/19/91/62/1045199162.db2.gz WRQLBTFFXXVUAZ-IBGZPJMESA-N 0 3 308.425 4.311 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000557753804 1045227831 /nfs/dbraw/zinc/22/78/31/1045227831.db2.gz KMHMKRNCKKTXIX-CYBMUJFWSA-N 0 3 300.427 4.259 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000578940321 1045283781 /nfs/dbraw/zinc/28/37/81/1045283781.db2.gz BISAQVGYEXKEIB-CTNGQTDRSA-N 0 3 323.436 4.261 20 30 DIEDHN C=CCC[C@H](NC[C@H](c1ccsc1)N(C)C)c1ccco1 ZINC000579017740 1045288229 /nfs/dbraw/zinc/28/82/29/1045288229.db2.gz NQVCDEHTRRAWEB-JKSUJKDBSA-N 0 3 304.459 4.241 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527991185 1045291073 /nfs/dbraw/zinc/29/10/73/1045291073.db2.gz ABDVSAAPHKKHAV-RTBURBONSA-N 0 3 308.812 4.476 20 30 DIEDHN C=C(C)[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780827 1045331169 /nfs/dbraw/zinc/33/11/69/1045331169.db2.gz PEZKHDQCABPELX-MSOLQXFVSA-N 0 3 321.342 4.044 20 30 DIEDHN C=CCCCC[C@H](C)NCc1nnc(-c2ccccc2)s1 ZINC000449183594 1045358813 /nfs/dbraw/zinc/35/88/13/1045358813.db2.gz GHJLTURFZNINKC-AWEZNQCLSA-N 0 3 301.459 4.430 20 30 DIEDHN CCCCOc1ccc(CNCc2cccc(C#N)c2)cc1OC ZINC000077170563 1045381541 /nfs/dbraw/zinc/38/15/41/1045381541.db2.gz FOIZSYFCUXEOEQ-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449770429 1045435167 /nfs/dbraw/zinc/43/51/67/1045435167.db2.gz ITWBAXUROVZOAN-TZMCWYRMSA-N 0 3 317.845 4.094 20 30 DIEDHN COc1ccc([C@H](NC2CCC(C)(C#N)CC2)c2ccco2)cc1 ZINC000449769271 1045435759 /nfs/dbraw/zinc/43/57/59/1045435759.db2.gz DBJPQVIAPAXWIG-AJPWXKBRSA-N 0 3 324.424 4.440 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CCCc2cnn(C(C)C)c21 ZINC001119613796 1045518828 /nfs/dbraw/zinc/51/88/28/1045518828.db2.gz MUETYNFSZKSXHC-IBGZPJMESA-N 0 3 322.456 4.120 20 30 DIEDHN C[C@@H](NCC1(C#N)CCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000450730161 1045554467 /nfs/dbraw/zinc/55/44/67/1045554467.db2.gz VPKBSIJHKOJFDG-QWHCGFSZSA-N 0 3 310.363 4.481 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1cccc(F)n1 ZINC001122714357 1045569996 /nfs/dbraw/zinc/56/99/96/1045569996.db2.gz KLIRQMJALCDREN-LBPRGKRZSA-N 0 3 314.385 4.041 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905221 1045573835 /nfs/dbraw/zinc/57/38/35/1045573835.db2.gz SQWLIIIFYHNIEO-DYVFJYSZSA-N 0 3 312.413 4.038 20 30 DIEDHN C=C(C)CN(CC/C=C\c1ccccc1)Cc1ccc(CO)o1 ZINC000450983580 1045605268 /nfs/dbraw/zinc/60/52/68/1045605268.db2.gz RKXGUOFGUBHBLJ-POHAHGRESA-N 0 3 311.425 4.254 20 30 DIEDHN N#CCC[C@@H](NC[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000800368501 1045611590 /nfs/dbraw/zinc/61/15/90/1045611590.db2.gz RCCMELQAMVSYOW-MSOLQXFVSA-N 0 3 314.816 4.008 20 30 DIEDHN Cc1cccc(-c2cccc(CNCc3cc(C#N)n(C)c3)c2)c1 ZINC000190929851 1045630391 /nfs/dbraw/zinc/63/03/91/1045630391.db2.gz ADQDQTQNROUAND-UHFFFAOYSA-N 0 3 315.420 4.162 20 30 DIEDHN CCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000191271073 1045672721 /nfs/dbraw/zinc/67/27/21/1045672721.db2.gz JBYZAEJBVPUZCF-AWEZNQCLSA-N 0 3 307.397 4.226 20 30 DIEDHN CC[C@@H](C)[C@@H](C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491704 1045688869 /nfs/dbraw/zinc/68/88/69/1045688869.db2.gz OZENRJQYGRETHW-ZIAGYGMSSA-N 0 3 324.428 4.007 20 30 DIEDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1ccc(C#N)cc1OC ZINC000801597153 1045751641 /nfs/dbraw/zinc/75/16/41/1045751641.db2.gz CMKTVJCVMZHUEV-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(C#N)cc1OC ZINC000801597153 1045751655 /nfs/dbraw/zinc/75/16/55/1045751655.db2.gz CMKTVJCVMZHUEV-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCCc1oc2ccccc2c1CN(C)CCO[C@H](C)C#N ZINC000801909965 1045835737 /nfs/dbraw/zinc/83/57/37/1045835737.db2.gz JCODFQLPSIEGIF-OAHLLOKOSA-N 0 3 314.429 4.136 20 30 DIEDHN C=CCc1cc(CNCc2csc(C)c2C)cc(OC)c1O ZINC000631205516 1045836807 /nfs/dbraw/zinc/83/68/07/1045836807.db2.gz BGKDBSZOCCIJGR-UHFFFAOYSA-N 0 3 317.454 4.097 20 30 DIEDHN C[C@@H](C#N)OCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000801921639 1045839949 /nfs/dbraw/zinc/83/99/49/1045839949.db2.gz IEKSFTFRTSOZBQ-WMLDXEAASA-N 0 3 306.837 4.186 20 30 DIEDHN Cc1cc(F)ccc1CN(C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000754155026 1045856503 /nfs/dbraw/zinc/85/65/03/1045856503.db2.gz UGFWIUQTQHNRJK-OAHLLOKOSA-N 0 3 312.388 4.057 20 30 DIEDHN C=C[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237556068 1045873461 /nfs/dbraw/zinc/87/34/61/1045873461.db2.gz NHJOHEDQFUXOSB-LBPRGKRZSA-N 0 3 316.332 4.190 20 30 DIEDHN Cc1nc(Cl)ccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000802034394 1045879617 /nfs/dbraw/zinc/87/96/17/1045879617.db2.gz LXUXQVPCLUJKCE-AWEZNQCLSA-N 0 3 321.767 4.082 20 30 DIEDHN Cc1cc(C)c(O)c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000754737776 1045924134 /nfs/dbraw/zinc/92/41/34/1045924134.db2.gz VFDSBOUALWRNGO-WOJBJXKFSA-N 0 3 320.436 4.281 20 30 DIEDHN C#CCCN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000754943942 1045938708 /nfs/dbraw/zinc/93/87/08/1045938708.db2.gz QIZHRQNVUVYUQR-NSHDSACASA-N 0 3 304.846 4.446 20 30 DIEDHN C#CC[C@H](NCc1ccc2nc(C)sc2c1)c1ccccc1 ZINC000755211516 1045963758 /nfs/dbraw/zinc/96/37/58/1045963758.db2.gz MKXJMACSUAWBHK-KRWDZBQOSA-N 0 3 306.434 4.459 20 30 DIEDHN Cc1ccc(N(C)c2ccc(CN3CCC(C#N)CC3)cc2)cc1 ZINC001137894994 1046001171 /nfs/dbraw/zinc/00/11/71/1046001171.db2.gz KGJVFKHPDXKHAZ-UHFFFAOYSA-N 0 3 319.452 4.499 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000755601383 1046001494 /nfs/dbraw/zinc/00/14/94/1046001494.db2.gz GGYIRMPEPKZMFN-GOEBONIOSA-N 0 3 314.429 4.105 20 30 DIEDHN CCCCS[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456862 1046049137 /nfs/dbraw/zinc/04/91/37/1046049137.db2.gz KBEZWWILNSOIEY-RYUDHWBXSA-N 0 3 310.488 4.365 20 30 DIEDHN CC[C@@H](NCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000902726703 1046052424 /nfs/dbraw/zinc/05/24/24/1046052424.db2.gz UCLUTVOYIHBOAY-QGZVFWFLSA-N 0 3 316.351 4.401 20 30 DIEDHN C[C@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)c2sccc21 ZINC000453367591 1046068430 /nfs/dbraw/zinc/06/84/30/1046068430.db2.gz DIMTWTYECZUZPV-ZBEGNZNMSA-N 0 3 300.402 4.487 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807071 1046075149 /nfs/dbraw/zinc/07/51/49/1046075149.db2.gz VKGDDTFNTSAEBD-DNVCBOLYSA-N 0 3 324.424 4.145 20 30 DIEDHN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826563 1046080132 /nfs/dbraw/zinc/08/01/32/1046080132.db2.gz FNOIJSGBZHJUML-LSDHHAIUSA-N 0 3 322.408 4.065 20 30 DIEDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(C#N)cc1 ZINC000756459738 1046085014 /nfs/dbraw/zinc/08/50/14/1046085014.db2.gz WXCCQPBXHISQBL-HSMVNMDESA-N 0 3 310.372 4.302 20 30 DIEDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(C#N)c1 ZINC000756624197 1046111624 /nfs/dbraw/zinc/11/16/24/1046111624.db2.gz DOVIQGYVGXTRPY-BFQNTYOBSA-N 0 3 310.372 4.302 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000756710575 1046122007 /nfs/dbraw/zinc/12/20/07/1046122007.db2.gz ZKLCZRDQWYTLKM-DOTOQJQBSA-N 0 3 324.424 4.232 20 30 DIEDHN C#CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000756776875 1046132219 /nfs/dbraw/zinc/13/22/19/1046132219.db2.gz UGRPRWSOGGLAIB-COXVUDFISA-N 0 3 309.384 4.434 20 30 DIEDHN C[C@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cc(C#N)ccn1 ZINC000903001685 1046139823 /nfs/dbraw/zinc/13/98/23/1046139823.db2.gz XDSDQUSTOBHHQV-QEJZJMRPSA-N 0 3 311.816 4.203 20 30 DIEDHN CCc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000347634030 1046141506 /nfs/dbraw/zinc/14/15/06/1046141506.db2.gz ISHIKDWICYNAIU-UHFFFAOYSA-N 0 3 307.441 4.174 20 30 DIEDHN CC[C@H](NCc1cnccc1C(C)(C)C)c1cccc(C#N)c1 ZINC000903018494 1046143082 /nfs/dbraw/zinc/14/30/82/1046143082.db2.gz CWHVZVHPELBWEP-IBGZPJMESA-N 0 3 307.441 4.492 20 30 DIEDHN C#CC[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000756995573 1046157771 /nfs/dbraw/zinc/15/77/71/1046157771.db2.gz JEUOMKYDOHWKSF-QGZVFWFLSA-N 0 3 319.326 4.439 20 30 DIEDHN C#CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000756996064 1046158190 /nfs/dbraw/zinc/15/81/90/1046158190.db2.gz DWBPUECBXUFDIV-NRFANRHFSA-N 0 3 318.420 4.223 20 30 DIEDHN C#CC[C@H](NCc1ccc(OCC)c(OCC)c1)c1ccccc1 ZINC000756998404 1046159362 /nfs/dbraw/zinc/15/93/62/1046159362.db2.gz UNIGVHHKKOMKDY-IBGZPJMESA-N 0 3 323.436 4.338 20 30 DIEDHN C=CCC[C@H](NCc1c(C)nn(C)c1C)c1cccc(Cl)c1 ZINC000903085808 1046161624 /nfs/dbraw/zinc/16/16/24/1046161624.db2.gz GWBBVJJPOULUBL-SFHVURJKSA-N 0 3 317.864 4.487 20 30 DIEDHN CC[C@H](NCc1ccc(SC)c(C#N)c1)c1cccc(C#N)c1 ZINC000903095991 1046163277 /nfs/dbraw/zinc/16/32/77/1046163277.db2.gz ZNELLTMLVKNEAL-SFHVURJKSA-N 0 3 321.449 4.393 20 30 DIEDHN C=CCC[C@@H](NCc1cnn(C)c1C)c1cccc(Cl)c1 ZINC000903129896 1046170495 /nfs/dbraw/zinc/17/04/95/1046170495.db2.gz JJYGTBTXZKYLQP-QGZVFWFLSA-N 0 3 303.837 4.179 20 30 DIEDHN C=CCC[C@@H](NCc1ccnn1CC)c1cccc(Cl)c1 ZINC000903206003 1046194371 /nfs/dbraw/zinc/19/43/71/1046194371.db2.gz OBTYLEYXRFMVOR-QGZVFWFLSA-N 0 3 303.837 4.354 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1C#N ZINC000087822492 1046210884 /nfs/dbraw/zinc/21/08/84/1046210884.db2.gz HZSKHZHWJGKSEX-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903288325 1046223926 /nfs/dbraw/zinc/22/39/26/1046223926.db2.gz XOOJHFTUDDJMTJ-ACJLOTCBSA-N 0 3 309.369 4.268 20 30 DIEDHN C#CC[C@@H](NCc1ccc(Br)cc1)c1ccccc1 ZINC000756998507 1046228942 /nfs/dbraw/zinc/22/89/42/1046228942.db2.gz XEXFQKYGLAQYAE-QGZVFWFLSA-N 0 3 314.226 4.303 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000245506139 1046237890 /nfs/dbraw/zinc/23/78/90/1046237890.db2.gz NIVJBNSSYYOLOG-YWZLYKJASA-N 0 3 324.399 4.454 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)c1[O-] ZINC001138627662 1046247033 /nfs/dbraw/zinc/24/70/33/1046247033.db2.gz DSLPKNPVJIEWCS-HXUWFJFHSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)c1[O-] ZINC001138627662 1046247038 /nfs/dbraw/zinc/24/70/38/1046247038.db2.gz DSLPKNPVJIEWCS-HXUWFJFHSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1[O-] ZINC001138629978 1046250368 /nfs/dbraw/zinc/25/03/68/1046250368.db2.gz LSJAYCXHBBYFSJ-UHFFFAOYSA-N 0 3 323.436 4.206 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC(c2ccncc2)CC1 ZINC001138664862 1046259664 /nfs/dbraw/zinc/25/96/64/1046259664.db2.gz YGJQAXVMCQRNTQ-UHFFFAOYSA-N 0 3 322.452 4.416 20 30 DIEDHN Cc1cc(F)ccc1[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000832523970 1046338950 /nfs/dbraw/zinc/33/89/50/1046338950.db2.gz JWZNHWGTUOYWMC-HXUWFJFHSA-N 0 3 324.399 4.374 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644597 1046434379 /nfs/dbraw/zinc/43/43/79/1046434379.db2.gz ZNRIGRFUAHGRKB-JOYOIKCWSA-N 0 3 302.727 4.141 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644594 1046435305 /nfs/dbraw/zinc/43/53/05/1046435305.db2.gz ZNRIGRFUAHGRKB-CABZTGNLSA-N 0 3 302.727 4.141 20 30 DIEDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000246794059 1046425239 /nfs/dbraw/zinc/42/52/39/1046425239.db2.gz MMERSMPYWWXSEL-XQQFMLRXSA-N 0 3 322.389 4.178 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000749129398 1046431823 /nfs/dbraw/zinc/43/18/23/1046431823.db2.gz QZLJJALFHHRXQC-MAUKXSAKSA-N 0 3 324.424 4.227 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2cc(O)ccc2c1 ZINC001139342656 1046432856 /nfs/dbraw/zinc/43/28/56/1046432856.db2.gz SYQDDFSBHQGSTE-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN CCCCCCCCCN(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781399285 1046442828 /nfs/dbraw/zinc/44/28/28/1046442828.db2.gz QYHOQVBHJCAEDT-QGZVFWFLSA-N 0 3 323.525 4.029 20 30 DIEDHN C[C@@H](NCCSCc1ccccc1)c1ccc(C#N)cc1F ZINC000781420395 1046443124 /nfs/dbraw/zinc/44/31/24/1046443124.db2.gz JWFOVIIGMZCYEU-CQSZACIVSA-N 0 3 314.429 4.281 20 30 DIEDHN CCCCCCCCCN(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781399284 1046443206 /nfs/dbraw/zinc/44/32/06/1046443206.db2.gz QYHOQVBHJCAEDT-KRWDZBQOSA-N 0 3 323.525 4.029 20 30 DIEDHN CCCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041519444 1046451686 /nfs/dbraw/zinc/45/16/86/1046451686.db2.gz BYQOTXPEDDLDNV-OAHLLOKOSA-N 0 3 314.410 4.121 20 30 DIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1F ZINC001139526939 1046462983 /nfs/dbraw/zinc/46/29/83/1046462983.db2.gz PFWRPOABFCYDIT-UHFFFAOYSA-N 0 3 320.411 4.177 20 30 DIEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1F ZINC001139526606 1046463720 /nfs/dbraw/zinc/46/37/20/1046463720.db2.gz ANQGGLNHWFHGAL-UHFFFAOYSA-N 0 3 318.395 4.258 20 30 DIEDHN N#Cc1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000781626741 1046464444 /nfs/dbraw/zinc/46/44/44/1046464444.db2.gz LSEWTMDNCNDLNN-UHFFFAOYSA-N 0 3 304.365 4.163 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000795591382 1046492409 /nfs/dbraw/zinc/49/24/09/1046492409.db2.gz MBBCLWKILGZDNT-ZDUSSCGKSA-N 0 3 302.805 4.151 20 30 DIEDHN C[C@H]1CN(Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139701388 1046502694 /nfs/dbraw/zinc/50/26/94/1046502694.db2.gz GVKUJNGGDJOBNW-AWEZNQCLSA-N 0 3 301.393 4.159 20 30 DIEDHN COc1ccccc1C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139726330 1046506039 /nfs/dbraw/zinc/50/60/39/1046506039.db2.gz IQPRFNMJZFJMSG-UHFFFAOYSA-N 0 3 320.436 4.255 20 30 DIEDHN Cc1ccc(CN2CCC[C@H](Sc3ccncc3)C2)cc1C#N ZINC001139726275 1046506413 /nfs/dbraw/zinc/50/64/13/1046506413.db2.gz DUAVDNLMYWGNDZ-IBGZPJMESA-N 0 3 323.465 4.018 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CCCS2 ZINC000783225912 1046563726 /nfs/dbraw/zinc/56/37/26/1046563726.db2.gz ZCLMGZAXAQYACE-SFHVURJKSA-N 0 3 324.449 4.284 20 30 DIEDHN N#Cc1ccc2[nH]cc(CN3C[C@@H]4C[C@H](C3)c3ccccc34)c2c1 ZINC001140115784 1046594985 /nfs/dbraw/zinc/59/49/85/1046594985.db2.gz LKXUEZYQXUAQQP-IYBDPMFKSA-N 0 3 313.404 4.126 20 30 DIEDHN CC(C)Oc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000729686052 1046598415 /nfs/dbraw/zinc/59/84/15/1046598415.db2.gz UPDDAHJSHNZPDY-MRXNPFEDSA-N 0 3 324.424 4.227 20 30 DIEDHN Cc1cc(CN2CCC(C#N)(c3ccccc3)CC2)c(C)cc1O ZINC001140197609 1046612339 /nfs/dbraw/zinc/61/23/39/1046612339.db2.gz RCIHJSJGAPZBEC-UHFFFAOYSA-N 0 3 320.436 4.066 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(CC)c2)cc1OC ZINC001203012914 1046617802 /nfs/dbraw/zinc/61/78/02/1046617802.db2.gz XFJFZIXXGUVRPJ-UHFFFAOYSA-N 0 3 311.425 4.112 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2cnccc2C)cc1Cl ZINC000678362849 1046627644 /nfs/dbraw/zinc/62/76/44/1046627644.db2.gz QZGDTISLXUOZMN-CQSZACIVSA-N 0 3 316.832 4.459 20 30 DIEDHN C=CCCN(Cc1[nH]nc2ccc(C)cc21)Cc1ccccc1 ZINC001140330805 1046658812 /nfs/dbraw/zinc/65/88/12/1046658812.db2.gz LANYJPGNJPLIND-UHFFFAOYSA-N 0 3 305.425 4.450 20 30 DIEDHN C=CCCN(Cc1n[nH]c2ccc(C)cc21)Cc1ccccc1 ZINC001140330805 1046658817 /nfs/dbraw/zinc/65/88/17/1046658817.db2.gz LANYJPGNJPLIND-UHFFFAOYSA-N 0 3 305.425 4.450 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2nccs2)c1 ZINC001140334850 1046662609 /nfs/dbraw/zinc/66/26/09/1046662609.db2.gz INVQRSZHGHKYAV-UHFFFAOYSA-N 0 3 319.433 4.314 20 30 DIEDHN N#CCCC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834810235 1046674285 /nfs/dbraw/zinc/67/42/85/1046674285.db2.gz ALRBOPGOXXHATF-ZWKOTPCHSA-N 0 3 306.409 4.404 20 30 DIEDHN C=C(Br)CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000795795473 1046678245 /nfs/dbraw/zinc/67/82/45/1046678245.db2.gz YBVMHLSHUZMXAV-JTQLQIEISA-N 0 3 322.168 4.135 20 30 DIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000533299134 1046691475 /nfs/dbraw/zinc/69/14/75/1046691475.db2.gz CIFKNNLHTSFYII-JKSUJKDBSA-N 0 3 302.462 4.425 20 30 DIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000533299131 1046691689 /nfs/dbraw/zinc/69/16/89/1046691689.db2.gz CIFKNNLHTSFYII-CVEARBPZSA-N 0 3 302.462 4.425 20 30 DIEDHN CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000784507895 1046693403 /nfs/dbraw/zinc/69/34/03/1046693403.db2.gz BDIFSPAESRJOTK-CQSZACIVSA-N 0 3 306.837 4.110 20 30 DIEDHN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000784830605 1046710681 /nfs/dbraw/zinc/71/06/81/1046710681.db2.gz AIKWCIOOKNJRPF-YOEHRIQHSA-N 0 3 314.429 4.249 20 30 DIEDHN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000784830601 1046711638 /nfs/dbraw/zinc/71/16/38/1046711638.db2.gz AIKWCIOOKNJRPF-RHSMWYFYSA-N 0 3 314.429 4.249 20 30 DIEDHN C#Cc1cccc(CN[C@@H]2CCCSc3ccc(OC)cc32)c1 ZINC000834902958 1046713523 /nfs/dbraw/zinc/71/35/23/1046713523.db2.gz MDFNPWSWTXGIGO-LJQANCHMSA-N 0 3 323.461 4.393 20 30 DIEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC000834902037 1046713548 /nfs/dbraw/zinc/71/35/48/1046713548.db2.gz CZNWCIZESYBPHG-INIZCTEOSA-N 0 3 323.436 4.316 20 30 DIEDHN C=CCC[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846572 1046744257 /nfs/dbraw/zinc/74/42/57/1046744257.db2.gz OBXQHKRNHMDBJX-HOTGVXAUSA-N 0 3 323.795 4.403 20 30 DIEDHN CN(C)c1ccc(/C=C\CN[C@H](CCC#N)c2ccccc2)cc1 ZINC000835041531 1046747149 /nfs/dbraw/zinc/74/71/49/1046747149.db2.gz MUBHHUXBIMRHGI-GIWCCYDRSA-N 0 3 319.452 4.400 20 30 DIEDHN C=CCC[C@@H](NC[C@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941586 1046761064 /nfs/dbraw/zinc/76/10/64/1046761064.db2.gz ODJSZZTWEHCNDN-AEFFLSMTSA-N 0 3 319.832 4.438 20 30 DIEDHN C#CCN(Cc1cccc2ccncc21)[C@@H]1CCc2ccccc21 ZINC001140644006 1046831510 /nfs/dbraw/zinc/83/15/10/1046831510.db2.gz UQCHYYZSPMLDCI-JOCHJYFZSA-N 0 3 312.416 4.358 20 30 DIEDHN C[C@@H]1[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@H]1c1ccccc1 ZINC000797550594 1046844446 /nfs/dbraw/zinc/84/44/46/1046844446.db2.gz SOXOCGOBPSMPLD-GGBBIFEXSA-N 0 3 316.360 4.054 20 30 DIEDHN CCS[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797570136 1046853579 /nfs/dbraw/zinc/85/35/79/1046853579.db2.gz DDPNNNLVHMOHPO-RISCZKNCSA-N 0 3 324.515 4.395 20 30 DIEDHN CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000303164464 1046884259 /nfs/dbraw/zinc/88/42/59/1046884259.db2.gz FSLIETZGLMRWNF-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCS[C@H](c2ccccc2)C1 ZINC000614963245 1046891822 /nfs/dbraw/zinc/89/18/22/1046891822.db2.gz ZCAGDYBSVFDZDP-KXBFYZLASA-N 0 3 308.450 4.409 20 30 DIEDHN CN(C)[C@H](CNc1cc(Cl)ccc1C#N)c1cccc(F)c1 ZINC000303761051 1046962617 /nfs/dbraw/zinc/96/26/17/1046962617.db2.gz KUGDHDYBBGYGMD-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccnc2ccc(OC)cc12 ZINC001141151813 1047029967 /nfs/dbraw/zinc/02/99/67/1047029967.db2.gz XRTFGCYZSYLSKL-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ncc(-c2ccccc2)o1 ZINC000799598617 1047045923 /nfs/dbraw/zinc/04/59/23/1047045923.db2.gz YSTCKYOHZGJSFN-QQFBHYJXSA-N 0 3 309.413 4.322 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719336 1047055821 /nfs/dbraw/zinc/05/58/21/1047055821.db2.gz ZSQQCJARUNTWMW-RTBURBONSA-N 0 3 308.425 4.375 20 30 DIEDHN C=C(C)COCCN[C@H](CC)c1ccccc1Br ZINC000536851179 1047111722 /nfs/dbraw/zinc/11/17/22/1047111722.db2.gz LATSADJTRSTYEC-OAHLLOKOSA-N 0 3 312.251 4.083 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293549 1047161664 /nfs/dbraw/zinc/16/16/64/1047161664.db2.gz WNUDPDSQCWNFQG-HUUCEWRRSA-N 0 3 324.424 4.377 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(C(F)F)c2)cc1 ZINC001116704264 1047170041 /nfs/dbraw/zinc/17/00/41/1047170041.db2.gz RQENIWWNJCELFM-UHFFFAOYSA-N 0 3 303.352 4.479 20 30 DIEDHN COCCN(Cc1ccc(CC#N)cc1)Cc1ccc(C)cc1C ZINC000612065861 1047199016 /nfs/dbraw/zinc/19/90/16/1047199016.db2.gz LFWVSPVSWYKRCL-UHFFFAOYSA-N 0 3 322.452 4.018 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc3[nH]c(C)cc3c2)cc1 ZINC000796527726 1047377698 /nfs/dbraw/zinc/37/76/98/1047377698.db2.gz KIENXEFVQKEGPZ-UHFFFAOYSA-N 0 3 318.420 4.168 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)c(Cl)c1 ZINC000618742348 1047408011 /nfs/dbraw/zinc/40/80/11/1047408011.db2.gz XCQXYKWSAFTWLW-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN Cc1ccccc1C1(N[C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000842888832 1047511357 /nfs/dbraw/zinc/51/13/57/1047511357.db2.gz SJYUQVKLXDCZAU-INIZCTEOSA-N 0 3 306.409 4.237 20 30 DIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121124897 1047512281 /nfs/dbraw/zinc/51/22/81/1047512281.db2.gz DUXFBMXGMVZWIC-OAHLLOKOSA-N 0 3 302.462 4.036 20 30 DIEDHN Cc1ccc([C@H]2CCCN2Cc2c[nH]c3cc(C#N)ccc23)cn1 ZINC001142922614 1047514406 /nfs/dbraw/zinc/51/44/06/1047514406.db2.gz NVYTWQILIHCXCG-HXUWFJFHSA-N 0 3 316.408 4.080 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755120 1047619397 /nfs/dbraw/zinc/61/93/97/1047619397.db2.gz CECVCJATOXUSOA-SCLBCKFNSA-N 0 3 309.369 4.268 20 30 DIEDHN C=CCCOCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000537951187 1047646775 /nfs/dbraw/zinc/64/67/75/1047646775.db2.gz CBLBJVLGAKYASL-LLVKDONJSA-N 0 3 319.779 4.185 20 30 DIEDHN C#CC[C@@H]1CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001197701479 1047870319 /nfs/dbraw/zinc/87/03/19/1047870319.db2.gz JVICUFREXNYPJB-CYBMUJFWSA-N 0 3 316.857 4.309 20 30 DIEDHN C#CCN(C[C@H]1CCCC(C)(C)O1)[C@H]1CCCc2ccccc21 ZINC001198105808 1047927918 /nfs/dbraw/zinc/92/79/18/1047927918.db2.gz ZJDIBXUGNHROKA-QUCCMNQESA-N 0 3 311.469 4.347 20 30 DIEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1cccc(Cl)c1C ZINC001198406369 1047953970 /nfs/dbraw/zinc/95/39/70/1047953970.db2.gz JEBKTFKGSIQUSG-CQSZACIVSA-N 0 3 306.837 4.018 20 30 DIEDHN CCCCCCC[C@@H](C)N[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326324 1048031222 /nfs/dbraw/zinc/03/12/22/1048031222.db2.gz CYZPJDIYAZYICL-CJNGLKHVSA-N 0 3 310.869 4.205 20 30 DIEDHN Cc1ccccc1SC[C@H](C)CN(C)[C@H]1CCC[C@H]1C#N ZINC001175252031 1048194317 /nfs/dbraw/zinc/19/43/17/1048194317.db2.gz ZYTUNMCLNUOXLB-PVAVHDDUSA-N 0 3 302.487 4.347 20 30 DIEDHN C=CCOc1ccc(CN(C)Cc2ccc(O)cc2)cc1Cl ZINC000554883704 1048221391 /nfs/dbraw/zinc/22/13/91/1048221391.db2.gz KRYVERWXKPJWQV-UHFFFAOYSA-N 0 3 317.816 4.242 20 30 DIEDHN Cc1coc(N=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C#N ZINC001201474683 1048294822 /nfs/dbraw/zinc/29/48/22/1048294822.db2.gz KLIBPUSKWBGDPE-MSOLQXFVSA-N 0 3 319.408 4.192 20 30 DIEDHN CCN1CCCC[C@H]1c1ccc(N[C@](C)(C#N)CC(C)C)nc1 ZINC001162520293 1048294888 /nfs/dbraw/zinc/29/48/88/1048294888.db2.gz WMWGNZYNOJAYLP-HKUYNNGSSA-N 0 3 314.477 4.369 20 30 DIEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Br ZINC000481265382 1048346887 /nfs/dbraw/zinc/34/68/87/1048346887.db2.gz AWYJAEBMZVHMNL-RISCZKNCSA-N 0 3 307.235 4.084 20 30 DIEDHN C[C@@H](c1ccc(F)cc1F)N(C)CCc1cccc(C#N)c1 ZINC001175522237 1048353180 /nfs/dbraw/zinc/35/31/80/1048353180.db2.gz FCPXIAQNBWXPBQ-ZDUSSCGKSA-N 0 3 300.352 4.072 20 30 DIEDHN C[C@H](c1ccc(F)cc1F)N(C)CCc1cccc(C#N)c1 ZINC001175522235 1048354409 /nfs/dbraw/zinc/35/44/09/1048354409.db2.gz FCPXIAQNBWXPBQ-CYBMUJFWSA-N 0 3 300.352 4.072 20 30 DIEDHN CCCCCCCN1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001201798376 1048374940 /nfs/dbraw/zinc/37/49/40/1048374940.db2.gz WGZCOLHWPQUQGR-IYBDPMFKSA-N 0 3 309.457 4.487 20 30 DIEDHN CCCCCCCN1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377473 /nfs/dbraw/zinc/37/74/73/1048377473.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 0 3 320.525 4.070 20 30 DIEDHN CCCCCCCCCN1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001201840188 1048387383 /nfs/dbraw/zinc/38/73/83/1048387383.db2.gz WMTOMYQGMHUGEP-SFHVURJKSA-N 0 3 321.509 4.199 20 30 DIEDHN N#CCc1cc2ccccc2c(N[C@@H]2CNCc3ccsc32)c1 ZINC001163237965 1048442348 /nfs/dbraw/zinc/44/23/48/1048442348.db2.gz KHKOXSUONLMKEI-GOSISDBHSA-N 0 3 319.433 4.224 20 30 DIEDHN Cc1ccc(C#N)c(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001163546173 1048486126 /nfs/dbraw/zinc/48/61/26/1048486126.db2.gz YFXAHYOZWYBSGN-SFHVURJKSA-N 0 3 323.465 4.018 20 30 DIEDHN C#Cc1ccc(CNCc2cnc(-c3ccc(C)cc3)s2)cc1 ZINC001202475461 1048600540 /nfs/dbraw/zinc/60/05/40/1048600540.db2.gz WBVRSHSXQKSYOI-UHFFFAOYSA-N 0 3 318.445 4.390 20 30 DIEDHN CCN(CC)C(=O)[C@H](C)NC#C[Si](C(C)C)(C(C)C)C(C)C ZINC001164610601 1048648953 /nfs/dbraw/zinc/64/89/53/1048648953.db2.gz VAXSDVUHGSGZIR-KRWDZBQOSA-N 0 3 324.585 4.012 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850524763 1048678966 /nfs/dbraw/zinc/67/89/66/1048678966.db2.gz DGEOOMAHIYUJSD-HBMCJLEFSA-N 0 3 318.420 4.094 20 30 DIEDHN C[C@H]1C[C@@H](NCC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549594 1048689389 /nfs/dbraw/zinc/68/93/89/1048689389.db2.gz HMLUIKUTTUKCCH-GXTWGEPZSA-N 0 3 302.393 4.143 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC000850739904 1048702915 /nfs/dbraw/zinc/70/29/15/1048702915.db2.gz ZDQQOAJRVOIRIZ-HNNXBMFYSA-N 0 3 321.424 4.110 20 30 DIEDHN N#CC(C(=O)C1CC2(C1)CCCCC2)c1nc2ccccc2[nH]1 ZINC000850738569 1048704003 /nfs/dbraw/zinc/70/40/03/1048704003.db2.gz NNYBYAFSKAYXDZ-CQSZACIVSA-N 0 3 307.397 4.100 20 30 DIEDHN N#CC(C(=O)C1CCC2(CC2)CC1)c1ccc2ccccc2n1 ZINC000850742117 1048705215 /nfs/dbraw/zinc/70/52/15/1048705215.db2.gz VUKSYUCKUPWTOS-MRXNPFEDSA-N 0 3 304.393 4.381 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(CF)cc2)n1 ZINC000850872396 1048720948 /nfs/dbraw/zinc/72/09/48/1048720948.db2.gz AWFDSDUCMSZLOY-CYBMUJFWSA-N 0 3 302.374 4.226 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc2ccccc2c1 ZINC000775382927 1048732621 /nfs/dbraw/zinc/73/26/21/1048732621.db2.gz QWKDUIPFHRTCNR-NRFANRHFSA-N 0 3 313.404 4.274 20 30 DIEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483193718 1048751913 /nfs/dbraw/zinc/75/19/13/1048751913.db2.gz HVOHRGJSHJWPRT-QGZVFWFLSA-N 0 3 304.324 4.172 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1nccc2ccccc21 ZINC000483208910 1048757117 /nfs/dbraw/zinc/75/71/17/1048757117.db2.gz AXSCABXHAQLZOL-OAHLLOKOSA-N 0 3 318.401 4.275 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1nccc2ccccc21 ZINC000483208909 1048757562 /nfs/dbraw/zinc/75/75/62/1048757562.db2.gz AXSCABXHAQLZOL-HNNXBMFYSA-N 0 3 318.401 4.275 20 30 DIEDHN CCN(Cc1ccc(C#N)cc1Br)[C@@H](C)C(C)C ZINC001190604039 1048763466 /nfs/dbraw/zinc/76/34/66/1048763466.db2.gz AWUWGIDHTAOFPO-LBPRGKRZSA-N 0 3 309.251 4.187 20 30 DIEDHN Cc1cc(F)cc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000483238151 1048759642 /nfs/dbraw/zinc/75/96/42/1048759642.db2.gz PZVWHPUQHXCRDC-QGZVFWFLSA-N 0 3 304.324 4.172 20 30 DIEDHN CC(C)c1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000483293352 1048768902 /nfs/dbraw/zinc/76/89/02/1048768902.db2.gz VFBYUMNDPIVTBU-FQEVSTJZSA-N 0 3 307.441 4.357 20 30 DIEDHN C#CC[C@H](NCc1cc(F)cc2cccnc21)c1ccccc1 ZINC000775405904 1048773128 /nfs/dbraw/zinc/77/31/28/1048773128.db2.gz YRXWHTYVMPZFNI-IBGZPJMESA-N 0 3 304.368 4.228 20 30 DIEDHN CCC(CC)N(Cc1ccc(Br)cc1C#N)C1CC1 ZINC001190720415 1048780685 /nfs/dbraw/zinc/78/06/85/1048780685.db2.gz ABGGLDLHDVMMMB-UHFFFAOYSA-N 0 3 321.262 4.474 20 30 DIEDHN CC1(C)C[C@@]1(NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000852772924 1048857836 /nfs/dbraw/zinc/85/78/36/1048857836.db2.gz SJHJVTIHSIHFHI-HXUWFJFHSA-N 0 3 306.409 4.004 20 30 DIEDHN COc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000338954226 1048865417 /nfs/dbraw/zinc/86/54/17/1048865417.db2.gz NDIRYQGYDYGFKV-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN C=CCCCCCN(C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001191134282 1048875419 /nfs/dbraw/zinc/87/54/19/1048875419.db2.gz XRJAFSKNGJRVRR-QGZVFWFLSA-N 0 3 320.864 4.124 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241324 1048891145 /nfs/dbraw/zinc/89/11/45/1048891145.db2.gz LDKGDHXJBGBUSV-JLTOFOAXSA-N 0 3 318.420 4.221 20 30 DIEDHN FC(F)(F)[C@@H]1CCC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000853284159 1048895731 /nfs/dbraw/zinc/89/57/31/1048895731.db2.gz RRTZDIFASMUCKX-TZMCWYRMSA-N 0 3 322.334 4.148 20 30 DIEDHN C[C@@H](NCc1cnc2c(F)cccc2c1)c1ccc(C#N)cc1 ZINC001177525627 1048906784 /nfs/dbraw/zinc/90/67/84/1048906784.db2.gz ZIBHFIIVWYTATA-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN C#CC1(NCc2ccc(Br)c(Cl)c2)CCCC1 ZINC001203472542 1048909728 /nfs/dbraw/zinc/90/97/28/1048909728.db2.gz WCCBVONWXKZQFB-UHFFFAOYSA-N 0 3 312.638 4.138 20 30 DIEDHN CC[C@@H](Sc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000111942996 1048940780 /nfs/dbraw/zinc/94/07/80/1048940780.db2.gz VBABUFDQWVBZNL-ZIAGYGMSSA-N 0 3 316.451 4.199 20 30 DIEDHN Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1C#N ZINC001203639791 1048945608 /nfs/dbraw/zinc/94/56/08/1048945608.db2.gz RPIZMVKFIVKDDE-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000776806839 1049025722 /nfs/dbraw/zinc/02/57/22/1049025722.db2.gz DNTQSXSNLSEBNK-AWEZNQCLSA-N 0 3 322.433 4.159 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1C#N ZINC000776807791 1049032783 /nfs/dbraw/zinc/03/27/83/1049032783.db2.gz JEYVHDNDTTVPLA-LBPRGKRZSA-N 0 3 323.421 4.027 20 30 DIEDHN CCCCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC001203971581 1049048923 /nfs/dbraw/zinc/04/89/23/1049048923.db2.gz DAMYPCTZNFHHQM-UHFFFAOYSA-N 0 3 308.425 4.369 20 30 DIEDHN C=CC(C)(C)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001203986395 1049050608 /nfs/dbraw/zinc/05/06/08/1049050608.db2.gz KKUBXVSDNVIXPO-UHFFFAOYSA-N 0 3 323.362 4.004 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000113952430 1049077274 /nfs/dbraw/zinc/07/72/74/1049077274.db2.gz NWZGQGUMFOHPAL-KBXCAEBGSA-N 0 3 312.388 4.357 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756974 1049138304 /nfs/dbraw/zinc/13/83/04/1049138304.db2.gz KEQZRPKGGSNLII-HZPDHXFCSA-N 0 3 315.457 4.469 20 30 DIEDHN N#CCC[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553217 1049147504 /nfs/dbraw/zinc/14/75/04/1049147504.db2.gz MOUQDCBJKWQJMA-ZWKOTPCHSA-N 0 3 314.816 4.008 20 30 DIEDHN N#Cc1ccccc1CN1CCC2(CCc3ccccc32)CC1 ZINC001204367987 1049153781 /nfs/dbraw/zinc/15/37/81/1049153781.db2.gz HHZQWYWBWIZCAQ-UHFFFAOYSA-N 0 3 302.421 4.038 20 30 DIEDHN N#Cc1ccccc1CN1CCC2(CCCc3ccccc32)CC1 ZINC001204367986 1049154029 /nfs/dbraw/zinc/15/40/29/1049154029.db2.gz HGGXTVACZMAWRB-UHFFFAOYSA-N 0 3 316.448 4.428 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NC2(c3ccc(OC)cc3)CC2)cc1 ZINC000776960905 1049195798 /nfs/dbraw/zinc/19/57/98/1049195798.db2.gz VEDDMZGQPBGZTE-MRXNPFEDSA-N 0 3 321.420 4.047 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H](c3ccccc3)C2)n1 ZINC001179681645 1049197257 /nfs/dbraw/zinc/19/72/57/1049197257.db2.gz QYUJGHIWPVWCCT-CVEARBPZSA-N 0 3 311.454 4.221 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCCC[C@@H](SC)C1 ZINC001179925823 1049227671 /nfs/dbraw/zinc/22/76/71/1049227671.db2.gz TVOMYJBTBVPJPJ-CQSZACIVSA-N 0 3 323.889 4.070 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239244 1049229228 /nfs/dbraw/zinc/22/92/28/1049229228.db2.gz QYPDUOCBQNNFBL-QRWLVFNGSA-N 0 3 321.424 4.003 20 30 DIEDHN CC[C@@H]1c2ccccc2CCN1Cc1cc(C#N)ccc1N(C)C ZINC001179931561 1049230485 /nfs/dbraw/zinc/23/04/85/1049230485.db2.gz NYZFIFMADUREOL-HXUWFJFHSA-N 0 3 319.452 4.134 20 30 DIEDHN CC(C)(C)CN(CCC#N)CCCCCOc1ccccc1 ZINC001180030489 1049260678 /nfs/dbraw/zinc/26/06/78/1049260678.db2.gz NGDKBONZORQKBQ-UHFFFAOYSA-N 0 3 302.462 4.497 20 30 DIEDHN CC(C)CN(Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC001180154607 1049303460 /nfs/dbraw/zinc/30/34/60/1049303460.db2.gz VATAYUSHGVSGAP-UHFFFAOYSA-N 0 3 322.456 4.138 20 30 DIEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001194155209 1049331643 /nfs/dbraw/zinc/33/16/43/1049331643.db2.gz ZRFBQGKDISESRC-DNVCBOLYSA-N 0 3 306.409 4.150 20 30 DIEDHN C=CCN(CC=C)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180375307 1049346883 /nfs/dbraw/zinc/34/68/83/1049346883.db2.gz OUQIFLDGDJLWPU-INIZCTEOSA-N 0 3 324.509 4.380 20 30 DIEDHN C=CCC1(NCc2nnc(-c3cccc(F)c3)o2)CCCCC1 ZINC000859745916 1049347454 /nfs/dbraw/zinc/34/74/54/1049347454.db2.gz OPNPQYJOOFAPKK-UHFFFAOYSA-N 0 3 315.392 4.244 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCCC2(CC2)CC1 ZINC000860069014 1049367849 /nfs/dbraw/zinc/36/78/49/1049367849.db2.gz AMXWWIAOLSFGON-UHFFFAOYSA-N 0 3 304.821 4.008 20 30 DIEDHN CC#CCCNCc1cc(Cl)c(OC(C)C)cc1Cl ZINC001180469247 1049369147 /nfs/dbraw/zinc/36/91/47/1049369147.db2.gz HZAIVDIDCSGHJA-UHFFFAOYSA-N 0 3 300.229 4.284 20 30 DIEDHN CCCCCCCCCCN1CCN(c2ccnc(F)c2)CC1 ZINC001194536100 1049386403 /nfs/dbraw/zinc/38/64/03/1049386403.db2.gz YXCCDLYOXRUQQL-UHFFFAOYSA-N 0 3 321.484 4.483 20 30 DIEDHN Cc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)cc1F ZINC001205235870 1049414934 /nfs/dbraw/zinc/41/49/34/1049414934.db2.gz GPSCVMYEKNOCDK-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C=CCN(Cc1cc2c(cc(F)cc2Br)[nH]1)C1CC1 ZINC001205312897 1049434234 /nfs/dbraw/zinc/43/42/34/1049434234.db2.gz ZCWNRTGQOUJYKY-UHFFFAOYSA-N 0 3 323.209 4.220 20 30 DIEDHN C#CC[C@@H]1CCCN([C@H](C)c2ccccc2Br)C1 ZINC001195463197 1049529449 /nfs/dbraw/zinc/52/94/49/1049529449.db2.gz JABGUZNQKISRBZ-ZIAGYGMSSA-N 0 3 306.247 4.245 20 30 DIEDHN CCN(CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)o1 ZINC001195368456 1049519332 /nfs/dbraw/zinc/51/93/32/1049519332.db2.gz TYQYFHRMOACIKB-UHFFFAOYSA-N 0 3 322.330 4.235 20 30 DIEDHN C#C[C@H](CC)NCc1ccccc1Oc1ccc(C)cc1OC ZINC001205713669 1049541120 /nfs/dbraw/zinc/54/11/20/1049541120.db2.gz FTTZGWYQGZHOQJ-QGZVFWFLSA-N 0 3 309.409 4.297 20 30 DIEDHN C#C[C@H](N[C@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152111 1049578528 /nfs/dbraw/zinc/57/85/28/1049578528.db2.gz JAZLUZBJFNIUAH-KUHUBIRLSA-N 0 3 313.828 4.331 20 30 DIEDHN C=CCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000487874940 1049580396 /nfs/dbraw/zinc/58/03/96/1049580396.db2.gz QCOXOXOSSWMJET-MRXNPFEDSA-N 0 3 306.409 4.316 20 30 DIEDHN C=CC[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946740 1049598865 /nfs/dbraw/zinc/59/88/65/1049598865.db2.gz MVSKYFSPDHSTRL-BLLLJJGKSA-N 0 3 314.256 4.315 20 30 DIEDHN C#C[C@@H](N[C@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974819 1049617597 /nfs/dbraw/zinc/61/75/97/1049617597.db2.gz SZPAFZJFGHWKAL-AUUYWEPGSA-N 0 3 307.368 4.467 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187652 1049618582 /nfs/dbraw/zinc/61/85/82/1049618582.db2.gz GJKKSYOZIASAFI-RBUKOAKNSA-N 0 3 323.396 4.274 20 30 DIEDHN C#C[C@@H](N[C@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987983 1049620928 /nfs/dbraw/zinc/62/09/28/1049620928.db2.gz BXEVXEVRBMHXAD-MLGOLLRUSA-N 0 3 306.247 4.292 20 30 DIEDHN C#C[C@H](N[C@@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988663 1049621265 /nfs/dbraw/zinc/62/12/65/1049621265.db2.gz HUUGGKGOZZVHPN-CVEARBPZSA-N 0 3 304.231 4.212 20 30 DIEDHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2Br)C1 ZINC001196175024 1049627838 /nfs/dbraw/zinc/62/78/38/1049627838.db2.gz FBKIHCZFKUPMRL-CHWSQXEVSA-N 0 3 321.262 4.331 20 30 DIEDHN CCCCCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000774348355 1049655413 /nfs/dbraw/zinc/65/54/13/1049655413.db2.gz KTBNLUMXBKKCGJ-SFHVURJKSA-N 0 3 303.425 4.209 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723834 1049665330 /nfs/dbraw/zinc/66/53/30/1049665330.db2.gz NWDLDOYBIUOSKE-RTBURBONSA-N 0 3 317.379 4.214 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000774451286 1049666448 /nfs/dbraw/zinc/66/64/48/1049666448.db2.gz XMSNEVBHPVBQNM-NRFANRHFSA-N 0 3 305.421 4.248 20 30 DIEDHN C=C(C)[C@H](NC[C@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725952 1049667971 /nfs/dbraw/zinc/66/79/71/1049667971.db2.gz XVOYDCDJTLRGPM-OALUTQOASA-N 0 3 317.379 4.214 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccncc2CC)cc1 ZINC000774477123 1049671457 /nfs/dbraw/zinc/67/14/57/1049671457.db2.gz KFSHORCAUJAIEH-HZPDHXFCSA-N 0 3 308.425 4.068 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2scnc2c1 ZINC001182499789 1049679929 /nfs/dbraw/zinc/67/99/29/1049679929.db2.gz OUFQXFIKVZSOJL-ZDUSSCGKSA-N 0 3 307.422 4.361 20 30 DIEDHN CC(C)[C@H]1N(Cc2ccc(C#N)cc2F)CC12CCCCC2 ZINC001206215814 1049683556 /nfs/dbraw/zinc/68/35/56/1049683556.db2.gz QRWCNCZPRPEWNP-GOSISDBHSA-N 0 3 300.421 4.488 20 30 DIEDHN C#CC[C@H]1CCCN(Cc2sc(C)cc2Br)C1 ZINC001182542983 1049685133 /nfs/dbraw/zinc/68/51/33/1049685133.db2.gz ISYLADKLPFTRAP-LBPRGKRZSA-N 0 3 312.276 4.054 20 30 DIEDHN CCCCCCCC[C@@H](CC)OCCCN1CCN(C)CC1 ZINC001206596595 1049765676 /nfs/dbraw/zinc/76/56/76/1049765676.db2.gz PIWGENVMMXCPKO-LJQANCHMSA-N 0 3 312.542 4.170 20 30 DIEDHN C#CCCN(CCOC)Cc1ccc2oc3ccccc3c2c1 ZINC001206780948 1049798467 /nfs/dbraw/zinc/79/84/67/1049798467.db2.gz VJRSCAXTGJAIBD-UHFFFAOYSA-N 0 3 307.393 4.058 20 30 DIEDHN CC(C)(C)CCOc1cnccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000490428093 1049828425 /nfs/dbraw/zinc/82/84/25/1049828425.db2.gz CMJIESLAYQPOKY-WBVHZDCISA-N 0 3 315.461 4.069 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cccnc2)cc1 ZINC000151103594 1049837465 /nfs/dbraw/zinc/83/74/65/1049837465.db2.gz UCDBQECOVGKBFO-CQSZACIVSA-N 0 3 302.805 4.064 20 30 DIEDHN COc1ccccc1[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001207261122 1049871633 /nfs/dbraw/zinc/87/16/33/1049871633.db2.gz NOVYXHVDKNOKBH-FQEVSTJZSA-N 0 3 319.448 4.316 20 30 DIEDHN CC(C)(CN1CCC(C#N)CC1)Sc1ccc(Cl)cc1 ZINC001207295532 1049877171 /nfs/dbraw/zinc/87/71/71/1049877171.db2.gz TZQKLCXSDFXXSW-UHFFFAOYSA-N 0 3 308.878 4.446 20 30 DIEDHN C=CCN1CCN(CC(C)(C)Sc2ccc(Cl)cc2)CC1 ZINC001207296521 1049878021 /nfs/dbraw/zinc/87/80/21/1049878021.db2.gz MCLIVAZBUAQAKT-UHFFFAOYSA-N 0 3 324.921 4.014 20 30 DIEDHN C=CCSCCNCc1cc(Cl)ccc1Br ZINC000164949787 1049893740 /nfs/dbraw/zinc/89/37/40/1049893740.db2.gz DJWAARSQEUODPU-UHFFFAOYSA-N 0 3 320.683 4.111 20 30 DIEDHN Cc1nc(-c2ccc(CNCc3cccc(C#N)c3)cc2)cs1 ZINC000055043016 1049914020 /nfs/dbraw/zinc/91/40/20/1049914020.db2.gz JCQOZERESDPTNA-UHFFFAOYSA-N 0 3 319.433 4.280 20 30 DIEDHN C[C@@H](CN1CCC(C#N)(c2ccccc2F)CC1)c1ccccc1 ZINC001207912982 1049954914 /nfs/dbraw/zinc/95/49/14/1049954914.db2.gz AQHYXOCKCBJONX-KRWDZBQOSA-N 0 3 322.427 4.487 20 30 DIEDHN Cc1ccc(CCCN2CCC(C#N)(c3ccccc3)CC2)o1 ZINC001207937413 1049958892 /nfs/dbraw/zinc/95/88/92/1049958892.db2.gz JNYFRZYIGOGLHI-UHFFFAOYSA-N 0 3 308.425 4.078 20 30 DIEDHN CCCCCCC/C=C/CN1CCC[C@]2(CCCC(=O)N2)C1 ZINC001208118321 1049975082 /nfs/dbraw/zinc/97/50/82/1049975082.db2.gz FYNIKTSXMSGMTE-CSHXORCISA-N 0 3 306.494 4.038 20 30 DIEDHN CCCCCCC/C=C/CN1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001208118432 1049975252 /nfs/dbraw/zinc/97/52/52/1049975252.db2.gz GYPXORIOOMEINW-KZQNYRHTSA-N 0 3 301.421 4.117 20 30 DIEDHN CCCCCCC/C=C/CN1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001208118324 1049975683 /nfs/dbraw/zinc/97/56/83/1049975683.db2.gz FYNIKTSXMSGMTE-SGQUHAKNSA-N 0 3 306.494 4.038 20 30 DIEDHN CCCCCCC/C=C/CN1CCC[C@H](c2nnc(C)o2)C1 ZINC001208123207 1049975807 /nfs/dbraw/zinc/97/58/07/1049975807.db2.gz GQORBJDMRJLFTJ-FVNWOWOISA-N 0 3 305.466 4.474 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001208179229 1049982016 /nfs/dbraw/zinc/98/20/16/1049982016.db2.gz STHDUKBUFCIFTN-AABGKKOBSA-N 0 3 320.496 4.187 20 30 DIEDHN C=C(C)CN(CC)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001208764203 1050009361 /nfs/dbraw/zinc/00/93/61/1050009361.db2.gz YQLMDBDNCLXTGF-QGZVFWFLSA-N 0 3 318.461 4.150 20 30 DIEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000588976794 1050015352 /nfs/dbraw/zinc/01/53/52/1050015352.db2.gz YHSWBZJHZZQJJF-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN N#Cc1cccc(CCCN2CCc3cccc(Cl)c3C2)c1 ZINC001208850646 1050015815 /nfs/dbraw/zinc/01/58/15/1050015815.db2.gz HBZYCMRCKJWZHT-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN CCN(CCCc1cccc(C#N)c1)Cc1cccc(F)c1F ZINC001208854808 1050017620 /nfs/dbraw/zinc/01/76/20/1050017620.db2.gz VHYIKBLNXPXZNM-UHFFFAOYSA-N 0 3 314.379 4.291 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC000589498029 1050037631 /nfs/dbraw/zinc/03/76/31/1050037631.db2.gz LURNLSYUELJXRY-CQSZACIVSA-N 0 3 320.314 4.160 20 30 DIEDHN CC(C)(CC(F)(F)F)NCc1ccc(C#N)cc1C(F)(F)F ZINC000589513529 1050042373 /nfs/dbraw/zinc/04/23/73/1050042373.db2.gz BQTFBICPDVEOHW-UHFFFAOYSA-N 0 3 324.268 4.398 20 30 DIEDHN C=CCCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001209201803 1050043471 /nfs/dbraw/zinc/04/34/71/1050043471.db2.gz TTWURDBKAPOZAK-GOSISDBHSA-N 0 3 314.473 4.453 20 30 DIEDHN C=CCCCCCCN1CCc2ncc(Br)cc2C1 ZINC001209435532 1050058335 /nfs/dbraw/zinc/05/83/35/1050058335.db2.gz DNILBIMTVHMVRX-UHFFFAOYSA-N 0 3 323.278 4.339 20 30 DIEDHN CCc1nc(C(C)C)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000590169953 1050081296 /nfs/dbraw/zinc/08/12/96/1050081296.db2.gz KDEOINUTGVWZNF-OAHLLOKOSA-N 0 3 307.441 4.490 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244535 1050083166 /nfs/dbraw/zinc/08/31/66/1050083166.db2.gz AGMXKAFZVQDIFA-LIRRHRJNSA-N 0 3 322.408 4.147 20 30 DIEDHN N#Cc1csc(CNC2(Cc3ccccc3)CCCCC2)n1 ZINC000573023579 1050116731 /nfs/dbraw/zinc/11/67/31/1050116731.db2.gz VSNKVIDMOCCIAN-UHFFFAOYSA-N 0 3 311.454 4.050 20 30 DIEDHN N#CC1(CCN2CCCO[C@@H](c3ccccc3)C2)CCCCC1 ZINC000591013276 1050118901 /nfs/dbraw/zinc/11/89/01/1050118901.db2.gz QXNDESQYKGJEJE-LJQANCHMSA-N 0 3 312.457 4.314 20 30 DIEDHN Cc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348840 1050142004 /nfs/dbraw/zinc/14/20/04/1050142004.db2.gz IPLOTMFWGIYBRN-YWZLYKJASA-N 0 3 305.425 4.298 20 30 DIEDHN CC1(C)CC(=O)C=C(Nc2ccccc2CN2CCCCC2)C1 ZINC001210151295 1050145093 /nfs/dbraw/zinc/14/50/93/1050145093.db2.gz DNPQDDBWBDMCJR-UHFFFAOYSA-N 0 3 312.457 4.357 20 30 DIEDHN C[C@@H](C1CCCCC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000282557826 1050161910 /nfs/dbraw/zinc/16/19/10/1050161910.db2.gz YASANMMSXZBNDN-AWEZNQCLSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2csc(C)c2)c1 ZINC000823887702 1050166423 /nfs/dbraw/zinc/16/64/23/1050166423.db2.gz NVNUIDTTXZXWJT-INIZCTEOSA-N 0 3 300.427 4.027 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171036473 1050168200 /nfs/dbraw/zinc/16/82/00/1050168200.db2.gz GPFWCBIPQPEDGK-GOSISDBHSA-N 0 3 322.839 4.127 20 30 DIEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171058916 1050219427 /nfs/dbraw/zinc/21/94/27/1050219427.db2.gz MSIJEENVDSJZBG-CYBMUJFWSA-N 0 3 309.240 4.134 20 30 DIEDHN C=CCCCCCN(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136888470 1050221517 /nfs/dbraw/zinc/22/15/17/1050221517.db2.gz HNUCXANVPXUWLC-UHFFFAOYSA-N 0 3 313.445 4.109 20 30 DIEDHN C=CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000734508691 1050279569 /nfs/dbraw/zinc/27/95/69/1050279569.db2.gz BVKWIHLFCZXJHN-FQEVSTJZSA-N 0 3 321.424 4.171 20 30 DIEDHN N#CCc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000592391639 1050297657 /nfs/dbraw/zinc/29/76/57/1050297657.db2.gz RXRFRRWJQSPZOU-QGZVFWFLSA-N 0 3 312.413 4.218 20 30 DIEDHN CC(C)(C#N)CCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126574 1050385063 /nfs/dbraw/zinc/38/50/63/1050385063.db2.gz WNVYECZCGOBESO-FHWLQOOXSA-N 0 3 312.457 4.311 20 30 DIEDHN COc1ccc(CNC2(c3ccccc3C)CCC2)cc1C#N ZINC000844351267 1050403836 /nfs/dbraw/zinc/40/38/36/1050403836.db2.gz LXCQFHNEYHYXDT-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN CC[C@@H](CC#N)NCC/C=C/c1ccc(Br)cc1 ZINC000594009342 1050473300 /nfs/dbraw/zinc/47/33/00/1050473300.db2.gz CVOOGTCLJOMZSS-UJAVWCLSSA-N 0 3 307.235 4.134 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000594496888 1050518723 /nfs/dbraw/zinc/51/87/23/1050518723.db2.gz YSRVAJUYLNQJLP-IBGZPJMESA-N 0 3 308.400 4.404 20 30 DIEDHN CC(C)(C)c1ccncc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594507752 1050522798 /nfs/dbraw/zinc/52/27/98/1050522798.db2.gz QUMIMAXAFVQZFK-UHFFFAOYSA-N 0 3 321.468 4.470 20 30 DIEDHN N#Cc1ccc(C2(NCc3ccc4[nH]ccc4c3)CCC2)cc1 ZINC000594517990 1050529398 /nfs/dbraw/zinc/52/93/98/1050529398.db2.gz FXJAWWLUQOZSJY-UHFFFAOYSA-N 0 3 301.393 4.209 20 30 DIEDHN N#Cc1ccc(C2(NCc3ccc4occc4c3)CCC2)cc1 ZINC000594518699 1050529467 /nfs/dbraw/zinc/52/94/67/1050529467.db2.gz JEJQOYPHBILLCN-UHFFFAOYSA-N 0 3 302.377 4.473 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519714 1050529493 /nfs/dbraw/zinc/52/94/93/1050529493.db2.gz XYZACEZJBTWYSZ-TZMCWYRMSA-N 0 3 324.346 4.246 20 30 DIEDHN C=CCOc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520394 1050530560 /nfs/dbraw/zinc/53/05/60/1050530560.db2.gz OMBIVSAWJQMGNR-UHFFFAOYSA-N 0 3 318.420 4.292 20 30 DIEDHN N#C[C@@H]1CCCN([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165175 1050548048 /nfs/dbraw/zinc/54/80/48/1050548048.db2.gz QVLNKJIWVGVMRB-IUODEOHRSA-N 0 3 323.267 4.476 20 30 DIEDHN COc1ccc([C@H](NCCC(C)(C)C#N)c2ccccc2)cc1 ZINC000594715403 1050549024 /nfs/dbraw/zinc/54/90/24/1050549024.db2.gz GYBRIXLWZFWINX-LJQANCHMSA-N 0 3 308.425 4.314 20 30 DIEDHN N#CC(C(=O)CC/C=C\c1ccccc1)c1nc2ccccc2[nH]1 ZINC000739141787 1050560285 /nfs/dbraw/zinc/56/02/85/1050560285.db2.gz CIXMNMKQSXOXTQ-FIRRRZPPSA-N 0 3 315.376 4.233 20 30 DIEDHN N#CC1(c2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000594918022 1050562802 /nfs/dbraw/zinc/56/28/02/1050562802.db2.gz OPOKLYJAWBDJRD-IBGZPJMESA-N 0 3 306.384 4.158 20 30 DIEDHN CCOc1cccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919342 1050563405 /nfs/dbraw/zinc/56/34/05/1050563405.db2.gz XYMAABWWQIFSFV-MRXNPFEDSA-N 0 3 320.436 4.491 20 30 DIEDHN CC(C)(C#N)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594967783 1050574308 /nfs/dbraw/zinc/57/43/08/1050574308.db2.gz HLDBDCGWMJRXRJ-UHFFFAOYSA-N 0 3 317.436 4.384 20 30 DIEDHN CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594936467 1050575985 /nfs/dbraw/zinc/57/59/85/1050575985.db2.gz CYIANLLYHSLUJA-HXUWFJFHSA-N 0 3 306.409 4.043 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594940151 1050577195 /nfs/dbraw/zinc/57/71/95/1050577195.db2.gz INTLTYGSJMUKHI-UHFFFAOYSA-N 0 3 318.420 4.096 20 30 DIEDHN CSCc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594941585 1050577222 /nfs/dbraw/zinc/57/72/22/1050577222.db2.gz WGZDMMFZPPEYCV-UHFFFAOYSA-N 0 3 322.477 4.395 20 30 DIEDHN N#CC1(c2ccc(CN[C@H]3CCCc4sccc43)cc2)CC1 ZINC000594943705 1050577265 /nfs/dbraw/zinc/57/72/65/1050577265.db2.gz GAQKEVMWVONTOO-KRWDZBQOSA-N 0 3 308.450 4.470 20 30 DIEDHN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccc1Cl ZINC000594946642 1050579271 /nfs/dbraw/zinc/57/92/71/1050579271.db2.gz RCSSRQWXGADISC-UHFFFAOYSA-N 0 3 310.828 4.493 20 30 DIEDHN CCOc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000594951406 1050579512 /nfs/dbraw/zinc/57/95/12/1050579512.db2.gz HNYAHHCOOPEIGC-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN CCCOc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000594959071 1050580557 /nfs/dbraw/zinc/58/05/57/1050580557.db2.gz RYOYTUZYPQAHMN-UHFFFAOYSA-N 0 3 320.436 4.434 20 30 DIEDHN CC(C)(C#N)CCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000746666612 1050582639 /nfs/dbraw/zinc/58/26/39/1050582639.db2.gz RWLDSDMMDBRHSG-UHFFFAOYSA-N 0 3 312.413 4.317 20 30 DIEDHN CC(C)(C#N)CCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000746666612 1050582654 /nfs/dbraw/zinc/58/26/54/1050582654.db2.gz RWLDSDMMDBRHSG-UHFFFAOYSA-N 0 3 312.413 4.317 20 30 DIEDHN N#CCCCOc1cccc(CNCc2ccc3occc3c2)c1 ZINC000594966242 1050583074 /nfs/dbraw/zinc/58/30/74/1050583074.db2.gz DMQQAWSHZXVSJJ-UHFFFAOYSA-N 0 3 320.392 4.405 20 30 DIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045560 1050602685 /nfs/dbraw/zinc/60/26/85/1050602685.db2.gz NTGVLBGOICBSBS-YVEFUNNKSA-N 0 3 303.365 4.038 20 30 DIEDHN CC[C@@H](NCc1cc(COC)cs1)c1ccc(C#N)cc1 ZINC000595076067 1050609755 /nfs/dbraw/zinc/60/97/55/1050609755.db2.gz DEIYTAYYJKVWRN-QGZVFWFLSA-N 0 3 300.427 4.007 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2ccc(O)cc21 ZINC000595087098 1050610100 /nfs/dbraw/zinc/61/01/00/1050610100.db2.gz AULUMPZCYVJDLL-RTWAWAEBSA-N 0 3 318.420 4.308 20 30 DIEDHN COc1cccc(C2(N[C@H](C)c3cccc(C#N)c3)CCC2)c1 ZINC000595094300 1050611447 /nfs/dbraw/zinc/61/14/47/1050611447.db2.gz VQYGTZBEERGDQB-OAHLLOKOSA-N 0 3 306.409 4.297 20 30 DIEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC2(C#N)CCCCC2)cc1 ZINC000595090925 1050611509 /nfs/dbraw/zinc/61/15/09/1050611509.db2.gz KZOIPQMMUNPHMD-KFKAGJAMSA-N 0 3 312.457 4.251 20 30 DIEDHN COc1cccc(C2(N[C@@H](C)c3cccc(C#N)c3)CCC2)c1 ZINC000595094299 1050611916 /nfs/dbraw/zinc/61/19/16/1050611916.db2.gz VQYGTZBEERGDQB-HNNXBMFYSA-N 0 3 306.409 4.297 20 30 DIEDHN CC[C@H](N[C@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097202 1050614010 /nfs/dbraw/zinc/61/40/10/1050614010.db2.gz SNYUJCZYWWUQLP-HBMCJLEFSA-N 0 3 322.452 4.357 20 30 DIEDHN C[C@H](c1nc2ccccc2s1)N(C)CCc1ccc(C#N)cc1 ZINC000595350268 1050623501 /nfs/dbraw/zinc/62/35/01/1050623501.db2.gz GIMCOCSZKPHRFC-CQSZACIVSA-N 0 3 321.449 4.403 20 30 DIEDHN Cc1cccc(Cl)c1CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000788081519 1050649555 /nfs/dbraw/zinc/64/95/55/1050649555.db2.gz QDPPJBCITKNGST-ZDUSSCGKSA-N 0 3 324.767 4.209 20 30 DIEDHN C#CCN(Cc1ccc2scnc2c1)[C@@H]1CCc2ccccc21 ZINC001144739119 1050695031 /nfs/dbraw/zinc/69/50/31/1050695031.db2.gz USMKDGMRSLCMPO-LJQANCHMSA-N 0 3 318.445 4.419 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2c(Cl)cccc2C1 ZINC001171224041 1050714374 /nfs/dbraw/zinc/71/43/74/1050714374.db2.gz PAROHSZLFSCNQI-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2cc(Cl)ccc2C1 ZINC001171222372 1050714798 /nfs/dbraw/zinc/71/47/98/1050714798.db2.gz GPSFWAMEJOCHMU-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H]1CCC[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793858 1050743526 /nfs/dbraw/zinc/74/35/26/1050743526.db2.gz BZCHSADIFURZIQ-KBPBESRZSA-N 0 3 306.837 4.253 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980969 1050781390 /nfs/dbraw/zinc/78/13/90/1050781390.db2.gz BYUMLKOGPQITFI-YVEFUNNKSA-N 0 3 311.816 4.335 20 30 DIEDHN CCOc1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596977913 1050791471 /nfs/dbraw/zinc/79/14/71/1050791471.db2.gz PHYSZQHTXJQSGN-UHFFFAOYSA-N 0 3 320.436 4.272 20 30 DIEDHN C[C@@H](N[C@@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958310 1050792431 /nfs/dbraw/zinc/79/24/31/1050792431.db2.gz FCBSMGUVBJSZTL-AUUYWEPGSA-N 0 3 324.449 4.228 20 30 DIEDHN C[C@@H](N[C@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958318 1050793470 /nfs/dbraw/zinc/79/34/70/1050793470.db2.gz FCBSMGUVBJSZTL-KUHUBIRLSA-N 0 3 324.449 4.228 20 30 DIEDHN Cn1cccc1[C@@H]1CCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027398 1050797370 /nfs/dbraw/zinc/79/73/70/1050797370.db2.gz VGSZMHYVMNYDEO-FQEVSTJZSA-N 0 3 319.452 4.307 20 30 DIEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085177 1050807098 /nfs/dbraw/zinc/80/70/98/1050807098.db2.gz SIPKLNLJGPTFLY-BBRMVZONSA-N 0 3 322.374 4.405 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000772960261 1050807658 /nfs/dbraw/zinc/80/76/58/1050807658.db2.gz OUBIRWHTKKGTAN-JLTOFOAXSA-N 0 3 309.384 4.176 20 30 DIEDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088525 1050808796 /nfs/dbraw/zinc/80/87/96/1050808796.db2.gz OZVXAYGDGGJOPY-CZUORRHYSA-N 0 3 322.374 4.405 20 30 DIEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137365 1050812102 /nfs/dbraw/zinc/81/21/02/1050812102.db2.gz GFHJQCRIIODATA-BBRMVZONSA-N 0 3 322.374 4.405 20 30 DIEDHN N#CC1(c2ccc(CN3CCC[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597152960 1050813939 /nfs/dbraw/zinc/81/39/39/1050813939.db2.gz FBPUYUDAGVVCGC-OAHLLOKOSA-N 0 3 322.374 4.406 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000597172505 1050814654 /nfs/dbraw/zinc/81/46/54/1050814654.db2.gz BOMDMPAGIUMXQF-KRWDZBQOSA-N 0 3 321.424 4.308 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000060467847 1050815549 /nfs/dbraw/zinc/81/55/49/1050815549.db2.gz WWGNBHVYFGVIOU-UHFFFAOYSA-N 0 3 303.352 4.476 20 30 DIEDHN CC(C)CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597174363 1050818797 /nfs/dbraw/zinc/81/87/97/1050818797.db2.gz PKMIIHZXJPLQSC-QGZVFWFLSA-N 0 3 300.446 4.237 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](C)c1cc2c(s1)CCC2 ZINC000772987904 1050926277 /nfs/dbraw/zinc/92/62/77/1050926277.db2.gz MJQCXOUBNWNSNJ-CQSZACIVSA-N 0 3 311.450 4.100 20 30 DIEDHN CC(=N[N-]c1[nH+]ccn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000790306315 1050950264 /nfs/dbraw/zinc/95/02/64/1050950264.db2.gz XNPLTUUCHZSURB-UHFFFAOYSA-N 0 3 324.359 4.188 20 30 DIEDHN C=CCN(Cc1cccs1)C[C@H](O)c1cccc(Cl)c1 ZINC000743257536 1051002119 /nfs/dbraw/zinc/00/21/19/1051002119.db2.gz HCJFHVQLJGOQKR-INIZCTEOSA-N 0 3 307.846 4.123 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000790995370 1051014802 /nfs/dbraw/zinc/01/48/02/1051014802.db2.gz OCIOQTJPTGJXDM-UHFFFAOYSA-N 0 3 305.421 4.256 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000743477676 1051033786 /nfs/dbraw/zinc/03/37/86/1051033786.db2.gz UJNUJNZZQLTUHP-KBXCAEBGSA-N 0 3 312.388 4.357 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1ccc(F)cc1F ZINC000791570126 1051059195 /nfs/dbraw/zinc/05/91/95/1051059195.db2.gz YSFAWRPJWWUBGH-IBGZPJMESA-N 0 3 317.379 4.077 20 30 DIEDHN CCc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)s1 ZINC000773085351 1051059450 /nfs/dbraw/zinc/05/94/50/1051059450.db2.gz WROFDCBZNKEZHX-GFCCVEGCSA-N 0 3 300.427 4.042 20 30 DIEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(OCC#N)cc2)o1 ZINC000743872204 1051084761 /nfs/dbraw/zinc/08/47/61/1051084761.db2.gz QRSIZXCIHXJROS-KXBFYZLASA-N 0 3 324.424 4.464 20 30 DIEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000744029162 1051093443 /nfs/dbraw/zinc/09/34/43/1051093443.db2.gz PMXYKFNFVUQDNH-NVXWUHKLSA-N 0 3 314.429 4.249 20 30 DIEDHN N#CC(C(=O)C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101732 1051115723 /nfs/dbraw/zinc/11/57/23/1051115723.db2.gz PDTZOACHFCDNPU-XITLMJRVSA-N 0 3 304.374 4.186 20 30 DIEDHN N#CC(C(=O)C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101727 1051116322 /nfs/dbraw/zinc/11/63/22/1051116322.db2.gz PDTZOACHFCDNPU-PTZVLDCSSA-N 0 3 304.374 4.186 20 30 DIEDHN N#CC(C(=O)C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095169 1051120360 /nfs/dbraw/zinc/12/03/60/1051120360.db2.gz UJWUEQXYVFWKHU-SQRWCISFSA-N 0 3 304.374 4.186 20 30 DIEDHN C[C@H](Cc1ccccc1Cl)N1CCc2ccc(C#N)cc2C1 ZINC001170277214 1051181891 /nfs/dbraw/zinc/18/18/91/1051181891.db2.gz QXJWEXUVUOVIEK-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nccs1 ZINC001170362302 1051191140 /nfs/dbraw/zinc/19/11/40/1051191140.db2.gz VOJJJJIMNNISNQ-MXWWQKGMSA-N 0 3 311.454 4.198 20 30 DIEDHN C[C@]1(F)CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379166 1051199325 /nfs/dbraw/zinc/19/93/25/1051199325.db2.gz RVYIJYVJSOETSG-IAFLDTSXSA-N 0 3 318.411 4.163 20 30 DIEDHN COCC#CCN[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001171799388 1051221623 /nfs/dbraw/zinc/22/16/23/1051221623.db2.gz OPWBBHGQJNOSDD-QZTJIDSGSA-N 0 3 323.436 4.127 20 30 DIEDHN CC(C)CN(CCO[C@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000792927706 1051232112 /nfs/dbraw/zinc/23/21/12/1051232112.db2.gz RXIOIKVHHWKXIG-HUUCEWRRSA-N 0 3 308.853 4.288 20 30 DIEDHN C=CCN(Cc1cccc(SC(F)(F)F)c1)[C@H](C)COC ZINC001171917056 1051241010 /nfs/dbraw/zinc/24/10/10/1051241010.db2.gz TUDXDMXVCKQVBY-GFCCVEGCSA-N 0 3 319.392 4.321 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308113 1051278525 /nfs/dbraw/zinc/27/85/25/1051278525.db2.gz FJSOCROYCWPQSP-VLIAUNLRSA-N 0 3 324.399 4.284 20 30 DIEDHN N#Cc1ccsc1Nc1cccc(CN2CCCCC2)c1F ZINC001215675784 1051294588 /nfs/dbraw/zinc/29/45/88/1051294588.db2.gz HTZZRLZFBPGUKN-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN CC(C)C[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000745946808 1051295559 /nfs/dbraw/zinc/29/55/59/1051295559.db2.gz KMLZZWXCNMTZKK-CQSZACIVSA-N 0 3 306.837 4.110 20 30 DIEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000793521144 1051307785 /nfs/dbraw/zinc/30/77/85/1051307785.db2.gz BURXDSPXCQEWCE-HOTGVXAUSA-N 0 3 304.482 4.180 20 30 DIEDHN N#CCC1(CN2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001170434368 1051312269 /nfs/dbraw/zinc/31/22/69/1051312269.db2.gz IPUHIEALHZZFNM-UHFFFAOYSA-N 0 3 320.839 4.380 20 30 DIEDHN N#Cc1ccc(Nc2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001215712004 1051320121 /nfs/dbraw/zinc/32/01/21/1051320121.db2.gz MLHJLDFOEQJXIU-UHFFFAOYSA-N 0 3 309.388 4.427 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)ccc(F)c1Cl ZINC001172291305 1051348072 /nfs/dbraw/zinc/34/80/72/1051348072.db2.gz XHAKYVIFKBJZOP-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN CCCCCCC[C@@H](CCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172509456 1051426161 /nfs/dbraw/zinc/42/61/61/1051426161.db2.gz WZKWEBDQLAYBLQ-XHSDSOJGSA-N 0 3 300.487 4.025 20 30 DIEDHN C#CCOc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000766490008 1051430621 /nfs/dbraw/zinc/43/06/21/1051430621.db2.gz DJYZRXMNDGQTTQ-FQEVSTJZSA-N 0 3 309.384 4.005 20 30 DIEDHN C#CCOc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000766490010 1051430687 /nfs/dbraw/zinc/43/06/87/1051430687.db2.gz DJYZRXMNDGQTTQ-HXUWFJFHSA-N 0 3 309.384 4.005 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1c1ccccc1 ZINC001168957871 1051478867 /nfs/dbraw/zinc/47/88/67/1051478867.db2.gz JPJSNBBMLMOWLK-LJQANCHMSA-N 0 3 306.409 4.294 20 30 DIEDHN CC[C@@H]1Cc2ccccc2CN1CCCOc1cccc(C#N)c1 ZINC001169013510 1051487017 /nfs/dbraw/zinc/48/70/17/1051487017.db2.gz GSLHDHWYFYRHBX-HXUWFJFHSA-N 0 3 320.436 4.164 20 30 DIEDHN C[C@H](Cc1c(F)cccc1Cl)NCc1ccccc1C#N ZINC001172847093 1051535724 /nfs/dbraw/zinc/53/57/24/1051535724.db2.gz ZNJQEYGMAPBQHT-GFCCVEGCSA-N 0 3 302.780 4.072 20 30 DIEDHN C[C@@H](CSc1ccc(Cl)cc1)NCc1cc(C#N)co1 ZINC001172873352 1051559186 /nfs/dbraw/zinc/55/91/86/1051559186.db2.gz LIWVECDPZIMMPJ-NSHDSACASA-N 0 3 306.818 4.075 20 30 DIEDHN Cn1cccc1[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000178510125 1051577489 /nfs/dbraw/zinc/57/74/89/1051577489.db2.gz HNVJUSOPDZXAIT-LJQANCHMSA-N 0 3 307.441 4.163 20 30 DIEDHN CN1CCCC[C@H]1c1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169747820 1051685701 /nfs/dbraw/zinc/68/57/01/1051685701.db2.gz GCUMQUAGVNYJJA-KKXNLOMOSA-N 0 3 324.472 4.267 20 30 DIEDHN C[C@H]1CCCCN1c1cccc(NC23CCC(C#N)(CC2)CC3)n1 ZINC001169748354 1051685875 /nfs/dbraw/zinc/68/58/75/1051685875.db2.gz WDWTXRKYYRWEEH-DZIBYMRMSA-N 0 3 324.472 4.489 20 30 DIEDHN N#CCC1CCC(N2Cc3cccc(Br)c3C2)CC1 ZINC001173338700 1051698537 /nfs/dbraw/zinc/69/85/37/1051698537.db2.gz HMCFSIPZUWXWGK-UHFFFAOYSA-N 0 3 319.246 4.237 20 30 DIEDHN C=CC[C@@H]1N(Cc2csc(C(=O)OC)c2)CCCC1(C)C ZINC001169845157 1051710758 /nfs/dbraw/zinc/71/07/58/1051710758.db2.gz SOZMBWMQENENDO-HNNXBMFYSA-N 0 3 307.459 4.101 20 30 DIEDHN CC1(C#N)CCC(n2c3ccccc3nc2[C@@H]2CCCCN2)CC1 ZINC001173596922 1051758708 /nfs/dbraw/zinc/75/87/08/1051758708.db2.gz BJXYHUQVEOUQJI-CMVHYPBASA-N 0 3 322.456 4.496 20 30 DIEDHN C#CCCOc1ccc(CNCc2c(C)oc3ccccc32)cc1 ZINC000767194932 1051774257 /nfs/dbraw/zinc/77/42/57/1051774257.db2.gz QQSWLLRHKVFAFZ-UHFFFAOYSA-N 0 3 319.404 4.433 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847271 1051785324 /nfs/dbraw/zinc/78/53/24/1051785324.db2.gz QDILZDHAFKSWID-GXFFZTMASA-N 0 3 314.763 4.113 20 30 DIEDHN Cc1ccc(OC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000489803899 1051866543 /nfs/dbraw/zinc/86/65/43/1051866543.db2.gz ALQDLKCDUDDYJS-KRWDZBQOSA-N 0 3 320.436 4.471 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1ccc(OCC)cc1O ZINC000768197039 1051904276 /nfs/dbraw/zinc/90/42/76/1051904276.db2.gz HSXGSVTZNSTIJF-UHFFFAOYSA-N 0 3 303.427 4.041 20 30 DIEDHN CCCCN(CCCC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000494533587 1051913557 /nfs/dbraw/zinc/91/35/57/1051913557.db2.gz QOMVZNPWWJTGOE-UHFFFAOYSA-N 0 3 312.417 4.010 20 30 DIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000176535748 1051920093 /nfs/dbraw/zinc/92/00/93/1051920093.db2.gz MBKQDTDQRVBIMO-PBHICJAKSA-N 0 3 312.413 4.204 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972792 1051926197 /nfs/dbraw/zinc/92/61/97/1051926197.db2.gz RIWDXGLLWNPSBZ-HZPDHXFCSA-N 0 3 323.795 4.403 20 30 DIEDHN C=CCN(Cc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)C ZINC000768547758 1051945108 /nfs/dbraw/zinc/94/51/08/1051945108.db2.gz OHQYOTXIAJSFHY-UHFFFAOYSA-N 0 3 301.409 4.025 20 30 DIEDHN C[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)c1cccc(C#N)c1 ZINC000769519165 1052075967 /nfs/dbraw/zinc/07/59/67/1052075967.db2.gz IIZYXJPOJFXXBZ-CQSZACIVSA-N 0 3 322.408 4.054 20 30 DIEDHN CCc1ccc(N2CCN(CCCCC(C)(C)C#N)CC2)cc1 ZINC000769727077 1052099862 /nfs/dbraw/zinc/09/98/62/1052099862.db2.gz CVQBUOZWMPRLTG-UHFFFAOYSA-N 0 3 313.489 4.091 20 30 DIEDHN Cc1ccc(N2CCN(CCCCC(C)(C)C#N)CC2)cc1C ZINC000769764539 1052101924 /nfs/dbraw/zinc/10/19/24/1052101924.db2.gz ACVBWBUWIFYXQS-UHFFFAOYSA-N 0 3 313.489 4.146 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769878031 1052126764 /nfs/dbraw/zinc/12/67/64/1052126764.db2.gz ZFUNAAPOOCHLAA-HXUWFJFHSA-N 0 3 318.420 4.050 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006597 1052141656 /nfs/dbraw/zinc/14/16/56/1052141656.db2.gz YNDIRZLFIIXILK-GBIKHYSHSA-N 0 3 311.212 4.099 20 30 DIEDHN N#Cc1ccc(CO[C@@H]2CNCc3ccccc32)c2ccccc12 ZINC001217941827 1052174687 /nfs/dbraw/zinc/17/46/87/1052174687.db2.gz UABDIMCZJDXONN-OAQYLSRUSA-N 0 3 314.388 4.073 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000495147240 1052234811 /nfs/dbraw/zinc/23/48/11/1052234811.db2.gz JDCNZILBMVVSPW-UHFFFAOYSA-N 0 3 321.424 4.209 20 30 DIEDHN CC1(C)C[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])CC[NH2+]1 ZINC001218478479 1052244668 /nfs/dbraw/zinc/24/46/68/1052244668.db2.gz YVODSFCPBSOJEZ-ZFMLPXDISA-N 0 3 324.424 4.052 20 30 DIEDHN N#Cc1ccc(Cl)c(Cl)c1O[C@H]1CNCc2ccccc21 ZINC001218493100 1052248889 /nfs/dbraw/zinc/24/88/89/1052248889.db2.gz HRTJKSYVMBISIV-AWEZNQCLSA-N 0 3 319.191 4.088 20 30 DIEDHN CCCCCCC[C@H](C)C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218710645 1052254218 /nfs/dbraw/zinc/25/42/18/1052254218.db2.gz GTWIRKYRPIOETC-KBPBESRZSA-N 0 3 307.438 4.034 20 30 DIEDHN CCCCSCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000915098312 1052344627 /nfs/dbraw/zinc/34/46/27/1052344627.db2.gz QVKSVLRJMBGOPF-LLVKDONJSA-N 0 3 304.440 4.006 20 30 DIEDHN CC(C)[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[NH+]1CCC(C)CC1 ZINC000915113550 1052351092 /nfs/dbraw/zinc/35/10/92/1052351092.db2.gz YJOCCSIEUJNEQP-MLHZQLSASA-N 0 3 322.880 4.221 20 30 DIEDHN Cc1cc(CNCc2ccc(C#N)cc2)cc(C)c1OC(F)F ZINC000915681729 1052467749 /nfs/dbraw/zinc/46/77/49/1052467749.db2.gz GNTWVMQOUCPPAM-UHFFFAOYSA-N 0 3 316.351 4.066 20 30 DIEDHN C[C@@H](NCc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000387193282 1052493578 /nfs/dbraw/zinc/49/35/78/1052493578.db2.gz HGVIQULCAPGRJM-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN Cc1ccc2cc(CN[C@@H](C)c3ccc(C#N)cc3)ccc2n1 ZINC000322826469 1052498292 /nfs/dbraw/zinc/49/82/92/1052498292.db2.gz ZLSBDPVTJPDXQA-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN Cc1cc(CN[C@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000488128487 1052616325 /nfs/dbraw/zinc/61/63/25/1052616325.db2.gz MABMGFCSADPDTF-CYBMUJFWSA-N 0 3 316.351 4.319 20 30 DIEDHN N#Cc1ccc(CNCc2cc(Cl)cc3cccnc32)cc1 ZINC000763408000 1052624023 /nfs/dbraw/zinc/62/40/23/1052624023.db2.gz NNIFREICGSOUIC-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN CCCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000916897425 1052664844 /nfs/dbraw/zinc/66/48/44/1052664844.db2.gz YYKZSCSIPUOWJK-KRWDZBQOSA-N 0 3 314.429 4.393 20 30 DIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000916913969 1052666771 /nfs/dbraw/zinc/66/67/71/1052666771.db2.gz IVUGBIAUSRVGDP-QGZVFWFLSA-N 0 3 314.429 4.113 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000916946884 1052670014 /nfs/dbraw/zinc/67/00/14/1052670014.db2.gz AUDVMXDBYIGQIB-PBHICJAKSA-N 0 3 314.429 4.428 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000916946886 1052670503 /nfs/dbraw/zinc/67/05/03/1052670503.db2.gz AUDVMXDBYIGQIB-WMLDXEAASA-N 0 3 314.429 4.428 20 30 DIEDHN CCCCCCCCCC[C@H](C)OCCN1CCN(C)CC1 ZINC001224550486 1052705756 /nfs/dbraw/zinc/70/57/56/1052705756.db2.gz VWTNRBODIKZZIB-IBGZPJMESA-N 0 3 312.542 4.170 20 30 DIEDHN CC(C)(CCC#N)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000154713984 1052794102 /nfs/dbraw/zinc/79/41/02/1052794102.db2.gz IAXASCBTLWLMHE-UHFFFAOYSA-N 0 3 312.413 4.317 20 30 DIEDHN CC(C)(CCC#N)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000154713984 1052794108 /nfs/dbraw/zinc/79/41/08/1052794108.db2.gz IAXASCBTLWLMHE-UHFFFAOYSA-N 0 3 312.413 4.317 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000037507751 1052845152 /nfs/dbraw/zinc/84/51/52/1052845152.db2.gz BZEGEIBIYDUVAR-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN C=CCc1cc(OCC)cc(CN2CC[C@H]2c2ccccc2)c1O ZINC000919941357 1052905227 /nfs/dbraw/zinc/90/52/27/1052905227.db2.gz YDSWVZGLIFUVNP-FQEVSTJZSA-N 0 3 323.436 4.466 20 30 DIEDHN CN(CC/N=C\c1c(O)ccc2ccccc21)Cc1ccccc1 ZINC000920173349 1052925907 /nfs/dbraw/zinc/92/59/07/1052925907.db2.gz CQAXDOJDXGYIIV-JCMHNJIXSA-N 0 3 318.420 4.096 20 30 DIEDHN Cc1ccc([C@H](C/N=C/c2cc(Cl)ccc2[O-])[NH+](C)C)cc1 ZINC000921262111 1052966708 /nfs/dbraw/zinc/96/67/08/1052966708.db2.gz ZXXPRQRGIDKOAR-PBGVMVHZSA-N 0 3 316.832 4.076 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCCCCC1 ZINC000175083531 1052979847 /nfs/dbraw/zinc/97/98/47/1052979847.db2.gz QFZHTUMGZUXGGM-OAHLLOKOSA-N 0 3 309.413 4.110 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000609823459 1052994179 /nfs/dbraw/zinc/99/41/79/1052994179.db2.gz HLCVLTQAEIFEJM-DNVCBOLYSA-N 0 3 308.450 4.409 20 30 DIEDHN Fc1ccc(N=Cc2ccccc2O[C@@H]2CN3CCC2CC3)cc1 ZINC001229375483 1053310117 /nfs/dbraw/zinc/31/01/17/1053310117.db2.gz FOVIFYVAPYHDSI-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN Fc1ccc(N=Cc2ccccc2O[C@H]2CN3CCC2CC3)cc1 ZINC001229375482 1053310653 /nfs/dbraw/zinc/31/06/53/1053310653.db2.gz FOVIFYVAPYHDSI-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(F)(F)F)s1 ZINC000618742257 1053358543 /nfs/dbraw/zinc/35/85/43/1053358543.db2.gz LOJMSMLRBURKPZ-AWEZNQCLSA-N 0 3 322.355 4.416 20 30 DIEDHN Cc1nc2ccc(CN[C@H]3CCc4cc(C#N)ccc43)cc2s1 ZINC000618741629 1053358780 /nfs/dbraw/zinc/35/87/80/1053358780.db2.gz HYAZIWSSWNMTBK-KRWDZBQOSA-N 0 3 319.433 4.254 20 30 DIEDHN CCSc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741419 1053358962 /nfs/dbraw/zinc/35/89/62/1053358962.db2.gz FZBBGGRYYADBHO-LJQANCHMSA-N 0 3 308.450 4.447 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001545710322 1053361449 /nfs/dbraw/zinc/36/14/49/1053361449.db2.gz XSBDZTUHXWLWDM-BBWFWOEESA-N 0 3 308.510 4.115 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2cc(Cl)ccc21 ZINC000618802387 1053366486 /nfs/dbraw/zinc/36/64/86/1053366486.db2.gz JHQXHYFDDBOZDD-RBUKOAKNSA-N 0 3 308.812 4.476 20 30 DIEDHN CCCCCCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC001545838088 1053367689 /nfs/dbraw/zinc/36/76/89/1053367689.db2.gz BKESWSVMVLJPPQ-UHFFFAOYSA-N 0 3 316.489 4.373 20 30 DIEDHN COc1cc(C)ccc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618804755 1053371538 /nfs/dbraw/zinc/37/15/38/1053371538.db2.gz LTVRXZHLOIPYSU-KUHUBIRLSA-N 0 3 306.409 4.213 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2c1cccc2Cl ZINC000618807226 1053373312 /nfs/dbraw/zinc/37/33/12/1053373312.db2.gz WHAXZHIUVHSNIU-RBUKOAKNSA-N 0 3 308.812 4.476 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1ccc(-c2ccccc2F)s1 ZINC001321240718 1053403674 /nfs/dbraw/zinc/40/36/74/1053403674.db2.gz GAAASJNZKUDANJ-CHWSQXEVSA-N 0 3 305.418 4.406 20 30 DIEDHN Cc1cnc2ccccc2c1NCc1ccc(C#N)c(Cl)c1 ZINC001321396992 1053411383 /nfs/dbraw/zinc/41/13/83/1053411383.db2.gz XOLVQAKCGBLGEE-UHFFFAOYSA-N 0 3 307.784 4.102 20 30 DIEDHN CC[NH+]1CCC(Oc2ccccc2/C=N/c2ccccc2[O-])CC1 ZINC001229932176 1053434717 /nfs/dbraw/zinc/43/47/17/1053434717.db2.gz APOVITQSEDGHBA-RCCKNPSSSA-N 0 3 324.424 4.006 20 30 DIEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287072 1053472697 /nfs/dbraw/zinc/47/26/97/1053472697.db2.gz YFILQPRYNQQWRL-IUODEOHRSA-N 0 3 310.363 4.260 20 30 DIEDHN Cc1cc(C)cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182757323 1053510585 /nfs/dbraw/zinc/51/05/85/1053510585.db2.gz SSUVBHRPMUGPQO-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN CC(C)(C#N)CN[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000619674756 1053527937 /nfs/dbraw/zinc/52/79/37/1053527937.db2.gz PVHHSKNHJICHGZ-UKRRQHHQSA-N 0 3 310.363 4.481 20 30 DIEDHN COc1cccc2c1CCC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000619672845 1053528810 /nfs/dbraw/zinc/52/88/10/1053528810.db2.gz NQERSZAVGJBMMJ-IFXJQAMLSA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1Cl ZINC000619754823 1053548647 /nfs/dbraw/zinc/54/86/47/1053548647.db2.gz LJEUIMRVQLZKCO-OAHLLOKOSA-N 0 3 302.830 4.440 20 30 DIEDHN CCCOc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748525 1053553985 /nfs/dbraw/zinc/55/39/85/1053553985.db2.gz HJCFZNBWSJICPB-UHFFFAOYSA-N 0 3 314.816 4.290 20 30 DIEDHN N#Cc1ccc(CNC/C=C\c2ccc(F)cc2)cc1Cl ZINC000619748636 1053554727 /nfs/dbraw/zinc/55/47/27/1053554727.db2.gz PJISAKMUEMKLIJ-UPHRSURJSA-N 0 3 300.764 4.154 20 30 DIEDHN CSc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748979 1053556057 /nfs/dbraw/zinc/55/60/57/1053556057.db2.gz UUSZBPYPKRNZSY-UHFFFAOYSA-N 0 3 302.830 4.223 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000619784517 1053559000 /nfs/dbraw/zinc/55/90/00/1053559000.db2.gz OGYHRFYZCXEIIB-INIZCTEOSA-N 0 3 322.374 4.421 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021816 1053616649 /nfs/dbraw/zinc/61/66/49/1053616649.db2.gz MFSIRLIGLYCMIP-YPMHNXCESA-N 0 3 319.392 4.193 20 30 DIEDHN C=CCOc1ccc(CNCc2ccccc2N2CCCC2)cc1 ZINC001324391286 1053649733 /nfs/dbraw/zinc/64/97/33/1053649733.db2.gz RWUPLTDJMWYIJH-UHFFFAOYSA-N 0 3 322.452 4.141 20 30 DIEDHN N#CCOc1cccc(CNCc2ccc(C3CCC3)cc2)c1 ZINC001324490411 1053656047 /nfs/dbraw/zinc/65/60/47/1053656047.db2.gz VHGJZUIEBDTGLI-UHFFFAOYSA-N 0 3 306.409 4.146 20 30 DIEDHN C=C(CNCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000620756683 1053729048 /nfs/dbraw/zinc/72/90/48/1053729048.db2.gz MPFPMGUQNWZEIR-UHFFFAOYSA-N 0 3 323.827 4.329 20 30 DIEDHN C#Cc1cccc(CN2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC001231658951 1053822775 /nfs/dbraw/zinc/82/27/75/1053822775.db2.gz BQTAVABVLXQKPE-UHFFFAOYSA-N 0 3 305.421 4.020 20 30 DIEDHN Cc1oc2ccccc2c1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000183911467 1053857113 /nfs/dbraw/zinc/85/71/13/1053857113.db2.gz WMAOPWOBBLHMML-AWEZNQCLSA-N 0 3 320.392 4.322 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc3ccoc32)c1 ZINC001327944352 1053896338 /nfs/dbraw/zinc/89/63/38/1053896338.db2.gz DLFOBRBOYGKROU-SFHVURJKSA-N 0 3 320.392 4.404 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231976634 1053926284 /nfs/dbraw/zinc/92/62/84/1053926284.db2.gz APFRYKAEAGCRSP-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN C=CCN(Cc1c[nH]c2cccc(OC)c12)Cc1ccccc1 ZINC001232037595 1053948019 /nfs/dbraw/zinc/94/80/19/1053948019.db2.gz YTOPFUOSIFUYGA-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN C=CCOc1c(Cl)cc(CN[C@H](C)c2ccc[nH]2)cc1OC ZINC001328764650 1053953384 /nfs/dbraw/zinc/95/33/84/1053953384.db2.gz OYJPMXFJDCQUAG-GFCCVEGCSA-N 0 3 320.820 4.092 20 30 DIEDHN CCC(C)(C)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001232078667 1053954820 /nfs/dbraw/zinc/95/48/20/1053954820.db2.gz DHRWYSQULVRUGB-QGZVFWFLSA-N 0 3 315.482 4.148 20 30 DIEDHN CCC(C)(C)c1ccc(CN2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001232078667 1053954836 /nfs/dbraw/zinc/95/48/36/1053954836.db2.gz DHRWYSQULVRUGB-QGZVFWFLSA-N 0 3 315.482 4.148 20 30 DIEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)c(Cl)c2)cc1 ZINC001232115400 1053966164 /nfs/dbraw/zinc/96/61/64/1053966164.db2.gz NZUQADJIUQRNCC-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN C=CCN(Cc1cccc(NC(=O)OC(C)(C)C)n1)C(C)(C)C ZINC001232603330 1054079201 /nfs/dbraw/zinc/07/92/01/1054079201.db2.gz UYHFRBRYMREHMM-UHFFFAOYSA-N 0 3 319.449 4.215 20 30 DIEDHN C=CCN(C)Cc1ccc(Br)c(C(F)(F)F)c1 ZINC001232663110 1054094017 /nfs/dbraw/zinc/09/40/17/1054094017.db2.gz SFKROKKDTYWKLT-UHFFFAOYSA-N 0 3 308.141 4.086 20 30 DIEDHN C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC000168014225 1054117762 /nfs/dbraw/zinc/11/77/62/1054117762.db2.gz OMTGQGYGOUWBMD-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN COc1cccc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)c1 ZINC001232844824 1054129846 /nfs/dbraw/zinc/12/98/46/1054129846.db2.gz FJCPBQBVHACSCC-OAHLLOKOSA-N 0 3 312.438 4.008 20 30 DIEDHN N#C[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888828 1054140482 /nfs/dbraw/zinc/14/04/82/1054140482.db2.gz SIDLDWZIDDBOPC-HNNXBMFYSA-N 0 3 309.388 4.013 20 30 DIEDHN C(#CC1CCN(Cc2ccc3ncoc3c2)CC1)c1ccccc1 ZINC001232943716 1054152552 /nfs/dbraw/zinc/15/25/52/1054152552.db2.gz ICIDXGSITVCTMI-UHFFFAOYSA-N 0 3 316.404 4.092 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCO2 ZINC000848566800 1054153169 /nfs/dbraw/zinc/15/31/69/1054153169.db2.gz JDOHZWPARQDCPZ-OAHLLOKOSA-N 0 3 318.420 4.223 20 30 DIEDHN N#Cc1ccc(C2(NCc3cc(Cl)cs3)CCC2)cc1 ZINC000848567290 1054153328 /nfs/dbraw/zinc/15/33/28/1054153328.db2.gz FPMOKCMHKXHEOC-UHFFFAOYSA-N 0 3 302.830 4.442 20 30 DIEDHN FC(F)(F)Sc1cccc(CN2CCC(S)CC2)c1 ZINC001232948285 1054156204 /nfs/dbraw/zinc/15/62/04/1054156204.db2.gz RFNBGWOPBQVLFM-UHFFFAOYSA-N 0 3 307.406 4.193 20 30 DIEDHN COc1cccc([C@@H]2CCCN(Cc3ccc(C)cc3C#N)C2)c1 ZINC001232968351 1054161039 /nfs/dbraw/zinc/16/10/39/1054161039.db2.gz HHXFXXJNLFNZAU-GOSISDBHSA-N 0 3 320.436 4.255 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](Sc2ccncc2)C1 ZINC001233083055 1054182447 /nfs/dbraw/zinc/18/24/47/1054182447.db2.gz SESALXRNRAWDNQ-LJQANCHMSA-N 0 3 323.465 4.018 20 30 DIEDHN Cc1ccccc1O[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233081182 1054182619 /nfs/dbraw/zinc/18/26/19/1054182619.db2.gz SAZCHIPMWBRVQN-FQEVSTJZSA-N 0 3 320.436 4.219 20 30 DIEDHN COc1ccc(C2=CCN(Cc3ccc(C#N)cc3C)CC2)cc1 ZINC001233083739 1054182671 /nfs/dbraw/zinc/18/26/71/1054182671.db2.gz ZALRXGRGXNTYEI-UHFFFAOYSA-N 0 3 318.420 4.165 20 30 DIEDHN Cc1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cnc1C ZINC001233162225 1054194212 /nfs/dbraw/zinc/19/42/12/1054194212.db2.gz XWOLVLIYGWZLJU-UHFFFAOYSA-N 0 3 319.452 4.025 20 30 DIEDHN C=CCN(Cc1cn2cccc(Cl)c2n1)C1CCCCC1 ZINC001233424269 1054271942 /nfs/dbraw/zinc/27/19/42/1054271942.db2.gz GCWIFHYTTGZOJZ-UHFFFAOYSA-N 0 3 303.837 4.308 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111815 1054296851 /nfs/dbraw/zinc/29/68/51/1054296851.db2.gz GUSAYGWOVYZRDU-MAUKXSAKSA-N 0 3 311.425 4.214 20 30 DIEDHN C=CCc1ccc(O[C@@H]2CCCN([C@H](C)c3ccccn3)C2)cc1 ZINC001233597428 1054305068 /nfs/dbraw/zinc/30/50/68/1054305068.db2.gz MAKHZJBWYVYWCC-YLJYHZDGSA-N 0 3 322.452 4.415 20 30 DIEDHN N#CC(C(=O)C12CCC(CC1)CC2)c1ccc2ccccc2n1 ZINC001341839637 1054411013 /nfs/dbraw/zinc/41/10/13/1054411013.db2.gz XFLSRRPLUYMVRS-FXUPRZHBSA-N 0 3 304.393 4.381 20 30 DIEDHN N#CC(C(=O)C[C@H]1C=CCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369719 1054467010 /nfs/dbraw/zinc/46/70/10/1054467010.db2.gz YLGHEPDQGRHQOZ-NWDGAFQWSA-N 0 3 313.788 4.139 20 30 DIEDHN C=CC[C@@H](CCCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234240025 1054467547 /nfs/dbraw/zinc/46/75/47/1054467547.db2.gz AKXJLRDDHJLHPG-HNNXBMFYSA-N 0 3 309.425 4.410 20 30 DIEDHN C=C(C)C[C@@H](Oc1c(F)cc(CN(C)C)cc1OC)C(=C)C ZINC001234242058 1054469227 /nfs/dbraw/zinc/46/92/27/1054469227.db2.gz XTCWYPMCWNVWHG-MRXNPFEDSA-N 0 3 307.409 4.186 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)c1coc2ccc(C(C)C)cc21 ZINC001344863730 1054482358 /nfs/dbraw/zinc/48/23/58/1054482358.db2.gz KBLYKPYENMZANV-OAHLLOKOSA-N 0 3 321.380 4.263 20 30 DIEDHN N#CC(C(=O)CCC1CCCC1)c1nccn1Cc1ccccc1 ZINC001357527221 1054494885 /nfs/dbraw/zinc/49/48/85/1054494885.db2.gz OJSJUSDCRNBJSD-SFHVURJKSA-N 0 3 321.424 4.078 20 30 DIEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345622006 1054505095 /nfs/dbraw/zinc/50/50/95/1054505095.db2.gz SLNKWYHXWFFHGK-DOMZBBRYSA-N 0 3 314.335 4.038 20 30 DIEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473302466 1054526757 /nfs/dbraw/zinc/52/67/57/1054526757.db2.gz QPLYXDPVUNHJPG-CQSZACIVSA-N 0 3 308.372 4.028 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C(F)F)cc2)cc1 ZINC000185358755 1054530902 /nfs/dbraw/zinc/53/09/02/1054530902.db2.gz ZEWSSASDTLYDTP-CQSZACIVSA-N 0 3 315.363 4.487 20 30 DIEDHN N#CC(C(=O)CCCc1ccc(Cl)cc1)c1cccc(F)n1 ZINC001347123906 1054557211 /nfs/dbraw/zinc/55/72/11/1054557211.db2.gz NIDZDCOPRMETQL-CQSZACIVSA-N 0 3 316.763 4.073 20 30 DIEDHN CCCCCCCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001450406053 1054648227 /nfs/dbraw/zinc/64/82/27/1054648227.db2.gz FDAVLZUZEQZMTF-KRWDZBQOSA-N 0 3 308.510 4.070 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001450808024 1054662101 /nfs/dbraw/zinc/66/21/01/1054662101.db2.gz XXULRAPCOVVECB-IEBWSBKVSA-N 0 3 316.489 4.126 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cc(O)cc(OCC)c1 ZINC001235397553 1054713461 /nfs/dbraw/zinc/71/34/61/1054713461.db2.gz GOHNIHSVLDZVOE-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2cccc(Cl)c2)CCCC1(C)C ZINC001473433700 1054715282 /nfs/dbraw/zinc/71/52/82/1054715282.db2.gz XQKIAFXVGXIYAT-INIZCTEOSA-N 0 3 320.864 4.345 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cnc(OC)c(Cl)c1 ZINC001235700542 1054782665 /nfs/dbraw/zinc/78/26/65/1054782665.db2.gz JESNRJDWUBUNMN-UHFFFAOYSA-N 0 3 316.832 4.322 20 30 DIEDHN C#C[C@H](N[C@@H]1CC[C@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547407 1054820898 /nfs/dbraw/zinc/82/08/98/1054820898.db2.gz ZSSNJRQZDJSCHX-HRCADAONSA-N 0 3 306.247 4.148 20 30 DIEDHN C[C@H](NCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623903710 1054812071 /nfs/dbraw/zinc/81/20/71/1054812071.db2.gz NOBWIEJZSGSOSI-ZETCQYMHSA-N 0 3 303.221 4.448 20 30 DIEDHN C#C[C@H](N[C@H]1CC[C@@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547415 1054824015 /nfs/dbraw/zinc/82/40/15/1054824015.db2.gz ZSSNJRQZDJSCHX-PMPSAXMXSA-N 0 3 306.247 4.148 20 30 DIEDHN Cc1ccc(CC#N)c(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236005120 1054891200 /nfs/dbraw/zinc/89/12/00/1054891200.db2.gz LHLOSSTZWZBMTN-UHFFFAOYSA-N 0 3 323.415 4.248 20 30 DIEDHN Cc1cc(-c2cccc(CN3CCCCC3)c2F)ncc1C#N ZINC001236005518 1054892349 /nfs/dbraw/zinc/89/23/49/1054892349.db2.gz SUNHAGZJDVGFIY-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cc(C#N)cnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236234931 1055023260 /nfs/dbraw/zinc/02/32/60/1055023260.db2.gz PRBAWHIQFBFLGE-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC(c3ccc(N)cc3)CC2)c1[O-] ZINC001236336644 1055064585 /nfs/dbraw/zinc/06/45/85/1055064585.db2.gz SWDXVMBIMJGXGA-UHFFFAOYSA-N 0 3 322.452 4.083 20 30 DIEDHN Cc1cc(C#N)cc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236472331 1055131684 /nfs/dbraw/zinc/13/16/84/1055131684.db2.gz SDRYLBSNHHJJHO-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN Cc1cnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1C#N ZINC001236471591 1055131715 /nfs/dbraw/zinc/13/17/15/1055131715.db2.gz BNVIIADPWDWAEL-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1Cl)C(C)(C)C ZINC001236919335 1055314528 /nfs/dbraw/zinc/31/45/28/1055314528.db2.gz NOXUECLYDKMEOD-UHFFFAOYSA-N 0 3 303.837 4.312 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(-c2ccncc2)c1 ZINC000765015134 1055315527 /nfs/dbraw/zinc/31/55/27/1055315527.db2.gz PSMKLVDBCSMEFS-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN N#CCC1CCN(Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236990206 1055323336 /nfs/dbraw/zinc/32/33/36/1055323336.db2.gz NGMOECPZSSJXKS-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OC(C)C)c2)cc1 ZINC000765094333 1055327746 /nfs/dbraw/zinc/32/77/46/1055327746.db2.gz DSYVHSNACLHYAO-KRWDZBQOSA-N 0 3 323.436 4.337 20 30 DIEDHN C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OCC)cc1[O-] ZINC001237041184 1055347689 /nfs/dbraw/zinc/34/76/89/1055347689.db2.gz GUGNSKYGNNNPHP-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCC)cc1[O-] ZINC001237041184 1055347704 /nfs/dbraw/zinc/34/77/04/1055347704.db2.gz GUGNSKYGNNNPHP-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN Cn1cc(CN2CCC3(CCCC3)CC2)c2cc(C#N)ccc21 ZINC001237468465 1055455374 /nfs/dbraw/zinc/45/53/74/1055455374.db2.gz NHCJTCMSQHQXQU-UHFFFAOYSA-N 0 3 307.441 4.206 20 30 DIEDHN C[C@@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)Cc2ccccc21 ZINC001237466999 1055455986 /nfs/dbraw/zinc/45/59/86/1055455986.db2.gz QIQCVLLLQNVFLI-OAHLLOKOSA-N 0 3 315.420 4.169 20 30 DIEDHN CCN(Cc1cn(C)c2ccc(C#N)cc12)Cc1cccc(F)c1 ZINC001237473774 1055459590 /nfs/dbraw/zinc/45/95/90/1055459590.db2.gz UZQCWUGLEGNPLC-UHFFFAOYSA-N 0 3 321.399 4.211 20 30 DIEDHN CN(Cc1cn(C)c2ccc(C#N)cc12)Cc1cccc(Cl)c1 ZINC001237470076 1055459722 /nfs/dbraw/zinc/45/97/22/1055459722.db2.gz UAFQBRFBGPRRJE-UHFFFAOYSA-N 0 3 323.827 4.335 20 30 DIEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)cc2ccccc21 ZINC001621064015 1055477407 /nfs/dbraw/zinc/47/74/07/1055477407.db2.gz IEICNZHRYYVNDJ-UHFFFAOYSA-N 0 3 316.404 4.318 20 30 DIEDHN CCN(Cc1cccc(OC)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237752088 1055523082 /nfs/dbraw/zinc/52/30/82/1055523082.db2.gz CAWGSISPVZSGKT-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN N#Cc1cc(Cl)cc(CN2CCCC3(CC(F)C3)CC2)c1 ZINC001237751861 1055523413 /nfs/dbraw/zinc/52/34/13/1055523413.db2.gz AAWQTGNWOZHETH-UHFFFAOYSA-N 0 3 306.812 4.316 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1C1CCOCC1 ZINC001237901743 1055554493 /nfs/dbraw/zinc/55/44/93/1055554493.db2.gz FDQFKQCZLYBXIQ-UHFFFAOYSA-N 0 3 320.436 4.084 20 30 DIEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000186160187 1055556292 /nfs/dbraw/zinc/55/62/92/1055556292.db2.gz RVGDPOWQJXOWJS-UHFFFAOYSA-N 0 3 316.351 4.100 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000671659852 1055587720 /nfs/dbraw/zinc/58/77/20/1055587720.db2.gz LIEMOICSZOWVEJ-IBGZPJMESA-N 0 3 315.363 4.307 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001566161924 1055746009 /nfs/dbraw/zinc/74/60/09/1055746009.db2.gz XLHMBQGUKSRHQU-NKAIQICCSA-N 0 3 308.510 4.236 20 30 DIEDHN CN1CCc2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2C1 ZINC001238844609 1055765853 /nfs/dbraw/zinc/76/58/53/1055765853.db2.gz FNSZUQRZHNUYOK-UHFFFAOYSA-N 0 3 316.326 4.232 20 30 DIEDHN N#Cc1ccc(/C=C/c2ccc(CN3CCCC3)c(F)c2)cc1 ZINC001239304259 1055862390 /nfs/dbraw/zinc/86/23/90/1055862390.db2.gz NOWKQLVVJBMHJE-ZZXKWVIFSA-N 0 3 306.384 4.464 20 30 DIEDHN CCCCCCCCCOC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001239312382 1055865281 /nfs/dbraw/zinc/86/52/81/1055865281.db2.gz SPAGKPPVMHOQHF-AWEZNQCLSA-N 0 3 323.437 4.398 20 30 DIEDHN COc1ccc2ccccc2c1CNCc1ccc(CC#N)cc1 ZINC001620984672 1055956705 /nfs/dbraw/zinc/95/67/05/1055956705.db2.gz AEYQWMLJTGVSAA-UHFFFAOYSA-N 0 3 316.404 4.204 20 30 DIEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001620646879 1055976594 /nfs/dbraw/zinc/97/65/94/1055976594.db2.gz VDBGUAMNTBSULY-AWEZNQCLSA-N 0 3 308.853 4.264 20 30 DIEDHN C=CC[C@H](NCc1cc(C)c2ncccc2c1)c1ccncc1 ZINC001620800139 1055994157 /nfs/dbraw/zinc/99/41/57/1055994157.db2.gz YSINRKQBOYNWNO-IBGZPJMESA-N 0 3 303.409 4.345 20 30 DIEDHN C=CCc1cc(CNC2(c3ccccc3)CCC2)cc(OC)c1O ZINC000113331286 1056076608 /nfs/dbraw/zinc/07/66/08/1056076608.db2.gz ARCPJBFISUKFLE-UHFFFAOYSA-N 0 3 323.436 4.298 20 30 DIEDHN CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000131543844 1056099072 /nfs/dbraw/zinc/09/90/72/1056099072.db2.gz RIEHTLKYLIMGPF-CZUORRHYSA-N 0 3 300.402 4.038 20 30 DIEDHN Cc1cc(C#N)ccc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000186323005 1056102171 /nfs/dbraw/zinc/10/21/71/1056102171.db2.gz QMNYXPSOIBGAOQ-UHFFFAOYSA-N 0 3 300.352 4.170 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001584186490 1056279133 /nfs/dbraw/zinc/27/91/33/1056279133.db2.gz SYYCNRMZRDSWHT-SGWGQVFISA-N 0 3 320.521 4.284 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(C#N)c(F)c2)ccc1F ZINC001240162289 1056359641 /nfs/dbraw/zinc/35/96/41/1056359641.db2.gz JJXCEZJVVKHWFG-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN N#CCc1cccc(C2=CCCN(Cc3ccccc3)C2)c1F ZINC001240387638 1056469102 /nfs/dbraw/zinc/46/91/02/1056469102.db2.gz QZEYXSNGZAUHNA-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN [O-]/N=C1/CCc2cc(C3=CCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC001240388438 1056471854 /nfs/dbraw/zinc/47/18/54/1056471854.db2.gz DNKJOOATCWJZKR-DQRAZIAOSA-N 0 3 318.420 4.100 20 30 DIEDHN [O-]/N=C1/CCc2cc(C3=CCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC001240388438 1056471863 /nfs/dbraw/zinc/47/18/63/1056471863.db2.gz DNKJOOATCWJZKR-DQRAZIAOSA-N 0 3 318.420 4.100 20 30 DIEDHN C#CCN(C[C@H]1CCC2(CCCC2)O1)[C@H]1CCc2ccccc21 ZINC001615265769 1056484684 /nfs/dbraw/zinc/48/46/84/1056484684.db2.gz WWHYHRAHWUGSSI-QUCCMNQESA-N 0 3 309.453 4.101 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H](CCOC)c1ccccc1 ZINC001615331778 1056494592 /nfs/dbraw/zinc/49/45/92/1056494592.db2.gz CGECRYIMXFFRMH-NRFANRHFSA-N 0 3 320.436 4.324 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1csc(C#N)c1 ZINC000921818825 1056514823 /nfs/dbraw/zinc/51/48/23/1056514823.db2.gz YYOYHVFGXKFZIQ-PIGZYNQJSA-N 0 3 300.402 4.172 20 30 DIEDHN CCCN(Cc1cccn1C(F)F)Cc1ccc(C#N)cc1 ZINC001621180865 1056525622 /nfs/dbraw/zinc/52/56/22/1056525622.db2.gz FFYHWRRQEXUCGB-UHFFFAOYSA-N 0 3 303.356 4.167 20 30 DIEDHN CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC001616549060 1056675942 /nfs/dbraw/zinc/67/59/42/1056675942.db2.gz NBNNWGMAVQXENI-CQSZACIVSA-N 0 3 321.262 4.189 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)CCC3)C2CC2)cc1 ZINC001616570675 1056678882 /nfs/dbraw/zinc/67/88/82/1056678882.db2.gz XJVDWZUOSCYNMQ-UHFFFAOYSA-N 0 3 302.421 4.212 20 30 DIEDHN C=CCN(CCc1ccco1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001616683797 1056699666 /nfs/dbraw/zinc/69/96/66/1056699666.db2.gz MHHQQHKZYKEKCO-OAHLLOKOSA-N 0 3 314.385 4.288 20 30 DIEDHN CC[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC001616841850 1056727086 /nfs/dbraw/zinc/72/70/86/1056727086.db2.gz LYYQPHAOLHBBSB-IBGZPJMESA-N 0 3 313.828 4.441 20 30 DIEDHN COCCCC[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000922075405 1056783271 /nfs/dbraw/zinc/78/32/71/1056783271.db2.gz FFPXTWIJCGBQEO-GOSISDBHSA-N 0 3 314.454 4.267 20 30 DIEDHN C=CCCCCCN1CCN(c2cncc3ccccc32)CC1 ZINC001617311239 1056812325 /nfs/dbraw/zinc/81/23/25/1056812325.db2.gz QPJSVOWAFVSEOY-UHFFFAOYSA-N 0 3 309.457 4.103 20 30 DIEDHN CN(Cc1ccc(Br)cc1C#N)[C@H]1CCC(C)(C)C1 ZINC001617687940 1056869623 /nfs/dbraw/zinc/86/96/23/1056869623.db2.gz WIHQQRPZMIBMTJ-HNNXBMFYSA-N 0 3 321.262 4.331 20 30 DIEDHN Cc1ccc([C@H]2CCN(Cc3cccc(C#N)c3F)C2)c(C)c1 ZINC001617712867 1056871726 /nfs/dbraw/zinc/87/17/26/1056871726.db2.gz ISRXJAQYLNQIBK-KRWDZBQOSA-N 0 3 308.400 4.304 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000011038250 1056940309 /nfs/dbraw/zinc/94/03/09/1056940309.db2.gz WPMMLVBZYPWGNL-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(Cl)c2)cc1C#N ZINC000316622080 1056988385 /nfs/dbraw/zinc/98/83/85/1056988385.db2.gz RUOWUXQTNWIHIS-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000118396425 1057017950 /nfs/dbraw/zinc/01/79/50/1057017950.db2.gz VHAFEEPRPRZDSM-HNNXBMFYSA-N 0 3 323.415 4.335 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(C#N)s2)C2CCC2)cc1 ZINC000922887288 1057088058 /nfs/dbraw/zinc/08/80/58/1057088058.db2.gz BNDFYFZDECZDRA-GOSISDBHSA-N 0 3 312.438 4.259 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(C#N)s2)C2CCC2)cc1 ZINC000922887289 1057088776 /nfs/dbraw/zinc/08/87/76/1057088776.db2.gz BNDFYFZDECZDRA-SFHVURJKSA-N 0 3 312.438 4.259 20 30 DIEDHN Cc1oc2ccccc2c1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000925362024 1057105668 /nfs/dbraw/zinc/10/56/68/1057105668.db2.gz AKGDNJLTXMONES-CQSZACIVSA-N 0 3 320.392 4.494 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017733 1057105714 /nfs/dbraw/zinc/10/57/14/1057105714.db2.gz CRVCORZUQOWKKR-YJBOKZPZSA-N 0 3 324.424 4.211 20 30 DIEDHN CCN1CC=C(c2cnc(C3=CC(=O)CC(C)(C)C3)c(C)c2)CC1 ZINC001242315132 1057331998 /nfs/dbraw/zinc/33/19/98/1057331998.db2.gz QCYLUVDOADAZCS-UHFFFAOYSA-N 0 3 324.468 4.272 20 30 DIEDHN N#Cc1cc(F)ccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001242584235 1057415084 /nfs/dbraw/zinc/41/50/84/1057415084.db2.gz INJBNKICVUBFRA-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cn1 ZINC000676459175 1057474310 /nfs/dbraw/zinc/47/43/10/1057474310.db2.gz UKWUGAQZESJLNV-INIZCTEOSA-N 0 3 315.376 4.243 20 30 DIEDHN N#Cc1cc(CN2CCCC[C@@H]2CCCc2ccccc2)ccn1 ZINC000611039103 1057580936 /nfs/dbraw/zinc/58/09/36/1057580936.db2.gz LPOKZGSCUVMDQZ-OAQYLSRUSA-N 0 3 319.452 4.331 20 30 DIEDHN COc1cccc(CN(Cc2cc(C#N)cs2)CC(C)C)c1 ZINC000611257876 1057587092 /nfs/dbraw/zinc/58/70/92/1057587092.db2.gz XQBNCDSZCJONET-UHFFFAOYSA-N 0 3 314.454 4.287 20 30 DIEDHN CC(C)(C)C[C@H](NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000611380276 1057593752 /nfs/dbraw/zinc/59/37/52/1057593752.db2.gz AGQQHECFCKQIQX-SFHVURJKSA-N 0 3 311.404 4.359 20 30 DIEDHN CCOc1cc(C)ccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393809 1057595960 /nfs/dbraw/zinc/59/59/60/1057595960.db2.gz MMAPGHHALAJNLV-FQEVSTJZSA-N 0 3 320.436 4.433 20 30 DIEDHN CCCCn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395250 1057596227 /nfs/dbraw/zinc/59/62/27/1057596227.db2.gz YDFHBPSPZBQERU-HXUWFJFHSA-N 0 3 322.456 4.031 20 30 DIEDHN N#CCOc1ccccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001243586185 1057724979 /nfs/dbraw/zinc/72/49/79/1057724979.db2.gz BJWFTGCTJHZOSV-UHFFFAOYSA-N 0 3 324.399 4.381 20 30 DIEDHN N#CCOc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1 ZINC001243591545 1057726817 /nfs/dbraw/zinc/72/68/17/1057726817.db2.gz KANLFDGOKBKWGZ-UHFFFAOYSA-N 0 3 324.399 4.381 20 30 DIEDHN CN(Cc1csc2ccccc12)Cc1ccc(OCC#N)cc1 ZINC000731211342 1057738303 /nfs/dbraw/zinc/73/83/03/1057738303.db2.gz HENKNYPHWMGXNT-UHFFFAOYSA-N 0 3 322.433 4.436 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000731751051 1057753478 /nfs/dbraw/zinc/75/34/78/1057753478.db2.gz FWAMXTYRMDAVKQ-UHFFFAOYSA-N 0 3 313.832 4.265 20 30 DIEDHN C=CCN(C[C@H](O)c1c(F)cccc1F)CC1CCCCC1 ZINC000732668342 1057782793 /nfs/dbraw/zinc/78/27/93/1057782793.db2.gz YQZVWKPBUUCFBA-KRWDZBQOSA-N 0 3 309.400 4.067 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(OCC)cc2)cc1 ZINC000733322195 1057811836 /nfs/dbraw/zinc/81/18/36/1057811836.db2.gz BYKTWKGMLQKBNP-QGZVFWFLSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](CC)c2ccccc2OC)cc1 ZINC000733324402 1057812960 /nfs/dbraw/zinc/81/29/60/1057812960.db2.gz WHDLLKFQNIFXDS-FQEVSTJZSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCCOc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000733327880 1057813989 /nfs/dbraw/zinc/81/39/89/1057813989.db2.gz DYSLXPGSLNVVED-UHFFFAOYSA-N 0 3 309.384 4.007 20 30 DIEDHN COc1ccc(-c2cccc(C#N)c2F)cc1CN1CCCCC1 ZINC001245072706 1058107084 /nfs/dbraw/zinc/10/70/84/1058107084.db2.gz PYRRBVSNYOOFJV-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN N#Cc1c(F)cccc1S[C@@H]1CCN(Cc2ccccc2)C1 ZINC001559419019 1059221127 /nfs/dbraw/zinc/22/11/27/1059221127.db2.gz RMBWFWQNJHUNIX-OAHLLOKOSA-N 0 3 312.413 4.064 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](OC)C1CCCCC1 ZINC001559493153 1059270958 /nfs/dbraw/zinc/27/09/58/1059270958.db2.gz QFFHSQUZAHCVEJ-HXUWFJFHSA-N 0 3 317.473 4.279 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001559506921 1059295709 /nfs/dbraw/zinc/29/57/09/1059295709.db2.gz HQMSOUOUYYWZEB-OAHLLOKOSA-N 0 3 311.256 4.353 20 30 DIEDHN CCCCCCCCNC(=S)Nc1cccc(CN(C)C)c1 ZINC001247160068 1059322195 /nfs/dbraw/zinc/32/21/95/1059322195.db2.gz DIQJNEAAJJFNRQ-UHFFFAOYSA-N 0 3 321.534 4.395 20 30 DIEDHN CC1(C)CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001559571813 1059402547 /nfs/dbraw/zinc/40/25/47/1059402547.db2.gz DMIOFNAPUYKVIE-UHFFFAOYSA-N 0 3 308.372 4.172 20 30 DIEDHN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1Cc1ccc(CC#N)cc1 ZINC001559658184 1059488090 /nfs/dbraw/zinc/48/80/90/1059488090.db2.gz CGHMOYVAINMQGV-LSDHHAIUSA-N 0 3 308.400 4.400 20 30 DIEDHN CCCCCCCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC001559673210 1059498198 /nfs/dbraw/zinc/49/81/98/1059498198.db2.gz FDCVJGDFIAMNGE-UHFFFAOYSA-N 0 3 303.446 4.192 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC(c2ccccc2C)CC1 ZINC001559734413 1059567239 /nfs/dbraw/zinc/56/72/39/1059567239.db2.gz NVHFWBWVUKGQHP-UHFFFAOYSA-N 0 3 320.436 4.255 20 30 DIEDHN N#CC(C(=O)CCCCCc1cccs1)c1cccc(F)n1 ZINC001524703666 1059583602 /nfs/dbraw/zinc/58/36/02/1059583602.db2.gz GEAGLDQEGZSJRV-AWEZNQCLSA-N 0 3 316.401 4.262 20 30 DIEDHN C=C(C)[C@@H](NC[C@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767132 1059604159 /nfs/dbraw/zinc/60/41/59/1059604159.db2.gz SWRNEPBRMLOGLG-RBUKOAKNSA-N 0 3 317.379 4.214 20 30 DIEDHN CCC(C)(C)CCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001559795185 1059628970 /nfs/dbraw/zinc/62/89/70/1059628970.db2.gz WVYQERRKRLEBQN-UHFFFAOYSA-N 0 3 319.880 4.160 20 30 DIEDHN CCC1(CC)[C@H](NCc2ccc(Cl)cc2C#N)[C@H](C)[C@H]1OC ZINC001559811013 1059645712 /nfs/dbraw/zinc/64/57/12/1059645712.db2.gz BRIPWDFODXFEGL-JCURWCKSSA-N 0 3 320.864 4.141 20 30 DIEDHN N#Cc1ccc(CN2CCC3(CCCC3)CC2)c(OC(F)F)c1 ZINC001559859996 1059680528 /nfs/dbraw/zinc/68/05/28/1059680528.db2.gz QEOIIADLFTXPRZ-UHFFFAOYSA-N 0 3 320.383 4.316 20 30 DIEDHN COC[C@H](NCCC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC001559886820 1059705682 /nfs/dbraw/zinc/70/56/82/1059705682.db2.gz UMTCYJNWYZEEGN-KRWDZBQOSA-N 0 3 320.864 4.481 20 30 DIEDHN COC[C@@H](NCCC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC001559886821 1059706729 /nfs/dbraw/zinc/70/67/29/1059706729.db2.gz UMTCYJNWYZEEGN-QGZVFWFLSA-N 0 3 320.864 4.481 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](C3CCC3)C2)c(OC(F)F)c1 ZINC001560012220 1059816076 /nfs/dbraw/zinc/81/60/76/1059816076.db2.gz SWXBCIXVZXEYOC-HNNXBMFYSA-N 0 3 320.383 4.172 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CC=C(c2ccccc2)CC1 ZINC001248752154 1059965102 /nfs/dbraw/zinc/96/51/02/1059965102.db2.gz ZUNJOBKCOUNFDE-UHFFFAOYSA-N 0 3 302.421 4.410 20 30 DIEDHN N#Cc1cccc(CN2CCCC[C@@H]2Cc2ccc(O)cc2)c1F ZINC001560216536 1059994797 /nfs/dbraw/zinc/99/47/97/1059994797.db2.gz DPRDHIJPHDZLBC-GOSISDBHSA-N 0 3 324.399 4.000 20 30 DIEDHN CCN(Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(F)cc1 ZINC001249429508 1060247581 /nfs/dbraw/zinc/24/75/81/1060247581.db2.gz DVLZNZLIYOBQDT-UHFFFAOYSA-N 0 3 307.372 4.201 20 30 DIEDHN N#Cc1ccc2cc(CN3CC[C@@H](c4ccccc4F)C3)[nH]c2c1 ZINC001249428832 1060247639 /nfs/dbraw/zinc/24/76/39/1060247639.db2.gz CWOMWGGQUMOSOD-MRXNPFEDSA-N 0 3 319.383 4.168 20 30 DIEDHN C=CCCCCN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC001249519499 1060272296 /nfs/dbraw/zinc/27/22/96/1060272296.db2.gz IQEPPAPMRWWICY-UHFFFAOYSA-N 0 3 322.250 4.114 20 30 DIEDHN C=CCCCCN(C)Cc1nc2ccc(Br)cc2o1 ZINC001249540457 1060279624 /nfs/dbraw/zinc/27/96/24/1060279624.db2.gz CNTZKMZQRFIYLQ-UHFFFAOYSA-N 0 3 323.234 4.378 20 30 DIEDHN N#Cc1cccc(CN2CCC3(CCc4ccccc43)CC2)c1F ZINC001249681677 1060342861 /nfs/dbraw/zinc/34/28/61/1060342861.db2.gz ZVONEVWFWKEOMD-UHFFFAOYSA-N 0 3 320.411 4.177 20 30 DIEDHN COc1ccc(CNCc2cccc(OC(C)(C)C)c2)cc1C#N ZINC001560571201 1060384490 /nfs/dbraw/zinc/38/44/90/1060384490.db2.gz KEIOUQZLLBXKFU-UHFFFAOYSA-N 0 3 324.424 4.034 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CCC)C1 ZINC001560662424 1060489389 /nfs/dbraw/zinc/48/93/89/1060489389.db2.gz YSWQZVLEISELCH-OAHLLOKOSA-N 0 3 305.849 4.364 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H](CCC)C1 ZINC001560662423 1060490104 /nfs/dbraw/zinc/49/01/04/1060490104.db2.gz YSWQZVLEISELCH-HNNXBMFYSA-N 0 3 305.849 4.364 20 30 DIEDHN C=CCCCCCN(C)Cc1ccnn1-c1ccc(F)cc1 ZINC001560684893 1060533042 /nfs/dbraw/zinc/53/30/42/1060533042.db2.gz CWTZFJTVXRYZCI-UHFFFAOYSA-N 0 3 301.409 4.190 20 30 DIEDHN C=CCN(C/C=C\c1ccc(N(C)C)cc1)CCc1ccco1 ZINC001560708228 1060565070 /nfs/dbraw/zinc/56/50/70/1060565070.db2.gz DXQFJDJESUJSBI-ALCCZGGFSA-N 0 3 310.441 4.090 20 30 DIEDHN N#Cc1c(F)cccc1CNC1(Cc2cccc(F)c2)CCC1 ZINC001560777523 1060640618 /nfs/dbraw/zinc/64/06/18/1060640618.db2.gz LXHBAORYTYYEDU-UHFFFAOYSA-N 0 3 312.363 4.091 20 30 DIEDHN C=CC[C@@H]1N(Cc2cc(F)c(OC)cc2OC)CCCC1(C)C ZINC001560793195 1060654417 /nfs/dbraw/zinc/65/44/17/1060654417.db2.gz IBAMNAPQXBRRFW-SFHVURJKSA-N 0 3 321.436 4.410 20 30 DIEDHN C=CCC1(CNCc2ncc(C(F)(F)F)s2)CCCC1 ZINC001560831993 1060689495 /nfs/dbraw/zinc/68/94/95/1060689495.db2.gz XSBAPCGGCAOOMC-UHFFFAOYSA-N 0 3 304.381 4.388 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035861 1060888437 /nfs/dbraw/zinc/88/84/37/1060888437.db2.gz LCIHGSMMPXNQOE-QWFCFKBJSA-N 0 3 305.425 4.037 20 30 DIEDHN C=CCCCCCCc1nc2ccc(N3CCOCC3)cc2[nH]1 ZINC001250613867 1060945419 /nfs/dbraw/zinc/94/54/19/1060945419.db2.gz DLFUMVOEIKKOMT-UHFFFAOYSA-N 0 3 313.445 4.079 20 30 DIEDHN CCCCO[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260048 1061035201 /nfs/dbraw/zinc/03/52/01/1061035201.db2.gz PRPYIWGAZUACPU-RBUKOAKNSA-N 0 3 317.448 4.093 20 30 DIEDHN C#C[C@H](CC)NCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001462222342 1061038970 /nfs/dbraw/zinc/03/89/70/1061038970.db2.gz NHUBPASHHVGAOU-GOSISDBHSA-N 0 3 307.441 4.167 20 30 DIEDHN C#C[C@H](NCc1cc(-c2ccccc2C)ccc1OC)C(C)C ZINC001462225304 1061040496 /nfs/dbraw/zinc/04/04/96/1061040496.db2.gz TZYJDBPFUMBJST-FQEVSTJZSA-N 0 3 307.437 4.418 20 30 DIEDHN C#C[C@H](N[C@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275230 1061068289 /nfs/dbraw/zinc/06/82/89/1061068289.db2.gz HBLKGJQMWPYNIO-ICSRJNTNSA-N 0 3 323.411 4.046 20 30 DIEDHN C=CCN(CCOc1ccc(F)c(Cl)c1)CCc1ccco1 ZINC001473319646 1061085535 /nfs/dbraw/zinc/08/55/35/1061085535.db2.gz YKTBEOGFPOVJFX-UHFFFAOYSA-N 0 3 323.795 4.182 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNC(C)(C)c1ccc(F)c(F)c1 ZINC001473326808 1061087225 /nfs/dbraw/zinc/08/72/25/1061087225.db2.gz IIZJJCRNPXMXCZ-UHFFFAOYSA-N 0 3 314.379 4.478 20 30 DIEDHN C=C(CC)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001473372625 1061120338 /nfs/dbraw/zinc/12/03/38/1061120338.db2.gz BBEDQTRLWIQIEQ-IBGZPJMESA-N 0 3 323.415 4.473 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)CCCO2 ZINC001462365415 1061129665 /nfs/dbraw/zinc/12/96/65/1061129665.db2.gz SGSZMATWVSWADB-OAHLLOKOSA-N 0 3 306.409 4.076 20 30 DIEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440436 1061174514 /nfs/dbraw/zinc/17/45/14/1061174514.db2.gz NIPJNPUCHTWZTM-DLBZAZTESA-N 0 3 304.478 4.178 20 30 DIEDHN N#CC1(CNCCCc2c(F)cccc2Cl)CCCCC1 ZINC001462444855 1061178066 /nfs/dbraw/zinc/17/80/66/1061178066.db2.gz SLAGMOVECUQXMD-UHFFFAOYSA-N 0 3 308.828 4.475 20 30 DIEDHN C=CCC[C@H](CCC)NCc1ncc(Br)s1 ZINC001462522721 1061232346 /nfs/dbraw/zinc/23/23/46/1061232346.db2.gz ZSAOKNLCVQNOBC-JTQLQIEISA-N 0 3 303.269 4.130 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC001473627698 1061298226 /nfs/dbraw/zinc/29/82/26/1061298226.db2.gz NIQXJOLCAQOGLO-ZDUSSCGKSA-N 0 3 311.347 4.220 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC001473627697 1061300710 /nfs/dbraw/zinc/30/07/10/1061300710.db2.gz NIQXJOLCAQOGLO-CYBMUJFWSA-N 0 3 311.347 4.220 20 30 DIEDHN C=CC[C@H]1CCCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC001473627958 1061301373 /nfs/dbraw/zinc/30/13/73/1061301373.db2.gz VYORFEAGCNFYGP-SOUVJXGZSA-N 0 3 317.395 4.212 20 30 DIEDHN C=CCCC[C@@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC001473760065 1061396811 /nfs/dbraw/zinc/39/68/11/1061396811.db2.gz VXGYOGBCQLBLNE-GOSISDBHSA-N 0 3 316.489 4.226 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1nc2ccccc2s1 ZINC001252131249 1061589245 /nfs/dbraw/zinc/58/92/45/1061589245.db2.gz KLZHVZCHLSXHRA-HNNXBMFYSA-N 0 3 320.502 4.497 20 30 DIEDHN C#CCCCCNCc1c(F)c(Cl)ccc1Br ZINC001474067899 1061614269 /nfs/dbraw/zinc/61/42/69/1061614269.db2.gz JHHYNJAHUGNSIB-UHFFFAOYSA-N 0 3 318.617 4.135 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001464846454 1061640404 /nfs/dbraw/zinc/64/04/04/1061640404.db2.gz IEPUXBRUTDCHBD-CVTTXWKISA-N 0 3 320.521 4.236 20 30 DIEDHN C=C[C@](C)(O)CN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001252556257 1061664823 /nfs/dbraw/zinc/66/48/23/1061664823.db2.gz FOPSANGUGFLLIA-CVEARBPZSA-N 0 3 313.363 4.169 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OCCC(C)C)cc2)cc1 ZINC001474152368 1061695797 /nfs/dbraw/zinc/69/57/97/1061695797.db2.gz HRTIBUPFDUOVNJ-UHFFFAOYSA-N 0 3 307.437 4.383 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC001253238337 1061836517 /nfs/dbraw/zinc/83/65/17/1061836517.db2.gz CZRHGFAWRCYZNV-HUUCEWRRSA-N 0 3 307.400 4.148 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN1CCC(=O)[C@@H](C)C12CCCC2 ZINC001253243292 1061840672 /nfs/dbraw/zinc/84/06/72/1061840672.db2.gz UDRXQGLSINYGSX-QZTJIDSGSA-N 0 3 321.505 4.098 20 30 DIEDHN C=CCCCCCC[C@H](O)CNc1ccc2nc(C)[nH]c2c1 ZINC001253243839 1061842380 /nfs/dbraw/zinc/84/23/80/1061842380.db2.gz AMGUUXFGVDRUOV-INIZCTEOSA-N 0 3 301.434 4.171 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN(C)CCC(=O)c1cccs1 ZINC001253241691 1061842434 /nfs/dbraw/zinc/84/24/34/1061842434.db2.gz ZQBSWHPTYIFHJP-MRXNPFEDSA-N 0 3 323.502 4.140 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1cc(F)c(F)c(F)c1 ZINC001253247372 1061848087 /nfs/dbraw/zinc/84/80/87/1061848087.db2.gz IOZFQGSQRUSMTJ-CQSZACIVSA-N 0 3 315.379 4.081 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H](C)c1nc2ccccc2[nH]1 ZINC001253245637 1061848506 /nfs/dbraw/zinc/84/85/06/1061848506.db2.gz ADJTYDRZUBFPOS-JKSUJKDBSA-N 0 3 315.461 4.101 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H](c1ccc(F)cn1)C1CC1 ZINC001253255193 1061856122 /nfs/dbraw/zinc/85/61/22/1061856122.db2.gz XQUGCZXLTRYQEY-IEBWSBKVSA-N 0 3 320.452 4.149 20 30 DIEDHN Cc1ccc(C[C@H]2CCCN(Cc3csc(C#N)c3)C2)cc1 ZINC001474311101 1061882188 /nfs/dbraw/zinc/88/21/88/1061882188.db2.gz STJHEVRLADYLOX-QGZVFWFLSA-N 0 3 310.466 4.383 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CCC[C@H]2CC)cc1OC ZINC001474310994 1061883778 /nfs/dbraw/zinc/88/37/78/1061883778.db2.gz BQEFQHAPEGQTDN-CQSZACIVSA-N 0 3 309.837 4.288 20 30 DIEDHN N#Cc1cc(CN2CCCC[C@@H]2Cc2ccc(F)cc2)cs1 ZINC001474367634 1062005469 /nfs/dbraw/zinc/00/54/69/1062005469.db2.gz JJOSOAMQSVOMPO-QGZVFWFLSA-N 0 3 314.429 4.356 20 30 DIEDHN N#Cc1cccc(CN(Cc2ccc(F)cc2)C2CCCCC2)n1 ZINC001474385412 1062033138 /nfs/dbraw/zinc/03/31/38/1062033138.db2.gz DMQHFQZMXYTWMV-UHFFFAOYSA-N 0 3 323.415 4.427 20 30 DIEDHN N#Cc1ccc(CN(C/C=C\c2ccc(F)cc2)C2CC2)cc1 ZINC001474390240 1062042216 /nfs/dbraw/zinc/04/22/16/1062042216.db2.gz UBPQEPLHYGQDGJ-UPHRSURJSA-N 0 3 306.384 4.375 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC001254388779 1062092272 /nfs/dbraw/zinc/09/22/72/1062092272.db2.gz IKMVAHHVHOYDLN-DYESRHJHSA-N 0 3 320.436 4.300 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC001459339716 1062099118 /nfs/dbraw/zinc/09/91/18/1062099118.db2.gz AEQZARQLVHDIKR-LJQANCHMSA-N 0 3 315.457 4.175 20 30 DIEDHN C=C(C)[C@H](N[C@H]1C[C@@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450714 1062129062 /nfs/dbraw/zinc/12/90/62/1062129062.db2.gz VUIJQXADAKWYBK-BBWFWOEESA-N 0 3 307.384 4.129 20 30 DIEDHN C=C(C)[C@H](N[C@@H]1C[C@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450715 1062129551 /nfs/dbraw/zinc/12/95/51/1062129551.db2.gz VUIJQXADAKWYBK-IKGGRYGDSA-N 0 3 307.384 4.129 20 30 DIEDHN CC[C@@H]1CCCCCN1Cc1ccc(C#N)cc1Br ZINC001459526372 1062182396 /nfs/dbraw/zinc/18/23/96/1062182396.db2.gz DMMIBYSOQWLZDQ-OAHLLOKOSA-N 0 3 321.262 4.475 20 30 DIEDHN COc1cccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC001254646068 1062213079 /nfs/dbraw/zinc/21/30/79/1062213079.db2.gz JVRYIHAIBQPLPC-ZAAXVRCTSA-N 0 3 306.409 4.066 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668623 1062221995 /nfs/dbraw/zinc/22/19/95/1062221995.db2.gz GXCMQHBRTASVPF-MRVWCRGKSA-N 0 3 309.240 4.475 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665926 1062223838 /nfs/dbraw/zinc/22/38/38/1062223838.db2.gz RQJDPULKQXITLG-TZMCWYRMSA-N 0 3 322.811 4.015 20 30 DIEDHN Cc1ccccc1C1CC(N(Cc2cncc(C#N)c2)C2CC2)C1 ZINC001459584206 1062226942 /nfs/dbraw/zinc/22/69/42/1062226942.db2.gz FJNGCMRMQLEAOK-UHFFFAOYSA-N 0 3 317.436 4.172 20 30 DIEDHN CC(C)C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001459586054 1062227160 /nfs/dbraw/zinc/22/71/60/1062227160.db2.gz AHECQOBYDROZEA-CQSZACIVSA-N 0 3 310.363 4.445 20 30 DIEDHN CC(C)[C@@H]1c2ccccc2CCN1CC#Cc1ccc(F)cc1 ZINC001459644795 1062277748 /nfs/dbraw/zinc/27/77/48/1062277748.db2.gz CZMZEELRBYPCRF-OAQYLSRUSA-N 0 3 307.412 4.433 20 30 DIEDHN N#CCCN(C1C[C@@H]2CC(=O)C[C@H]2C1)C1CCCCCCC1 ZINC001254950333 1062290762 /nfs/dbraw/zinc/29/07/62/1062290762.db2.gz FBIUTCITOWAPSG-HZPDHXFCSA-N 0 3 302.462 4.073 20 30 DIEDHN C[C@H](CCc1ccc(F)cc1F)NCC1(C#N)CCCCC1 ZINC001474631968 1062355929 /nfs/dbraw/zinc/35/59/29/1062355929.db2.gz QGNRABHYJDSZAV-CQSZACIVSA-N 0 3 306.400 4.350 20 30 DIEDHN C=CCN(CCOc1ccc(Cl)c(F)c1)CCc1ccco1 ZINC001459835725 1062436015 /nfs/dbraw/zinc/43/60/15/1062436015.db2.gz OXHCQWPOSRIVTM-UHFFFAOYSA-N 0 3 323.795 4.182 20 30 DIEDHN C=CCCC[N@@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC001474739482 1062455041 /nfs/dbraw/zinc/45/50/41/1062455041.db2.gz WPHZVJKCHLHCSD-UHFFFAOYSA-N 0 3 312.251 4.251 20 30 DIEDHN C=CCCC[N@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC001474739482 1062455055 /nfs/dbraw/zinc/45/50/55/1062455055.db2.gz WPHZVJKCHLHCSD-UHFFFAOYSA-N 0 3 312.251 4.251 20 30 DIEDHN C[C@H](CC(F)(F)F)NCc1cc(F)ccc1C(F)(F)F ZINC001255636093 1062492819 /nfs/dbraw/zinc/49/28/19/1062492819.db2.gz KVLOPHJOBUEOLO-SSDOTTSWSA-N 0 3 303.221 4.275 20 30 DIEDHN Cc1ccc([C@H]2C[C@H](C)N(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001460028876 1062584029 /nfs/dbraw/zinc/58/40/29/1062584029.db2.gz JPRJTBCBBHOEGX-PXNSSMCTSA-N 0 3 307.412 4.364 20 30 DIEDHN C=C(C)CN(CC[C@@H]1C[C@H]1C1CC1)Cc1cnn(C(C)C)c1 ZINC001460090509 1062628193 /nfs/dbraw/zinc/62/81/93/1062628193.db2.gz PSDTWHBEYJBCML-MOPGFXCFSA-N 0 3 301.478 4.278 20 30 DIEDHN C=CCCC1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCC1 ZINC001470074328 1062698241 /nfs/dbraw/zinc/69/82/41/1062698241.db2.gz CCKJRAVVMCIRCI-SFHVURJKSA-N 0 3 320.521 4.140 20 30 DIEDHN CCCCCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC001460226785 1062712358 /nfs/dbraw/zinc/71/23/58/1062712358.db2.gz AKUUNKWPIAJERA-IBGZPJMESA-N 0 3 301.430 4.067 20 30 DIEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(Br)cc1 ZINC001256213931 1062750351 /nfs/dbraw/zinc/75/03/51/1062750351.db2.gz DVJJZHSPFGHYIV-DOMZBBRYSA-N 0 3 309.251 4.052 20 30 DIEDHN N#CCC1(NC2CCN(c3ccc(Cl)cc3)CC2)CCCC1 ZINC001256307187 1062771020 /nfs/dbraw/zinc/77/10/20/1062771020.db2.gz KSYSDCRSFBGGNU-UHFFFAOYSA-N 0 3 317.864 4.125 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCCC[C@H]1C1CCC1 ZINC001460343128 1062792178 /nfs/dbraw/zinc/79/21/78/1062792178.db2.gz NHEBOFPDWPYLMZ-KRWDZBQOSA-N 0 3 318.848 4.397 20 30 DIEDHN C[C@@]1(F)CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1F ZINC001257017681 1063081158 /nfs/dbraw/zinc/08/11/58/1063081158.db2.gz YHHSBSJGFRTXRQ-CSODTCANSA-N 0 3 318.411 4.356 20 30 DIEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275365 1063177495 /nfs/dbraw/zinc/17/74/95/1063177495.db2.gz RVOLFINNHDZXQJ-HNAYVOBHSA-N 0 3 310.441 4.451 20 30 DIEDHN COc1ccc2cc(CC[C@@H](C)N3CC[C@](C)(C#N)C3)ccc2c1 ZINC001257285074 1063179819 /nfs/dbraw/zinc/17/98/19/1063179819.db2.gz MXOFVIGZNREWKP-IIBYNOLFSA-N 0 3 322.452 4.405 20 30 DIEDHN C=CCc1cc(CN[C@@H](C)c2ccc(C)s2)cc(OC)c1O ZINC001461106931 1063257603 /nfs/dbraw/zinc/25/76/03/1063257603.db2.gz RLRBCEBXYGVSTH-ZDUSSCGKSA-N 0 3 317.454 4.350 20 30 DIEDHN CCCCCC(CCCCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001257551450 1063330980 /nfs/dbraw/zinc/33/09/80/1063330980.db2.gz KBJSKHGDJTXZPJ-INIZCTEOSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCN(CCC#N)C1CCC(OCc2ccccc2)CC1 ZINC001257833503 1063398716 /nfs/dbraw/zinc/39/87/16/1063398716.db2.gz WXDDGXQNKRJIRW-UHFFFAOYSA-N 0 3 300.446 4.140 20 30 DIEDHN CCCCCCC[C@@H](C)N1CCc2nc(C3CC3)ncc2C1 ZINC001258050928 1063481573 /nfs/dbraw/zinc/48/15/73/1063481573.db2.gz ZPWPBDSOSWBAHJ-OAHLLOKOSA-N 0 3 301.478 4.461 20 30 DIEDHN C=C[C@H](COC)NCc1cccc(-c2ccc(Cl)cc2)c1 ZINC001461448651 1063513910 /nfs/dbraw/zinc/51/39/10/1063513910.db2.gz RYYOPRKVTNCHOY-GOSISDBHSA-N 0 3 301.817 4.298 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc2c(c1)c1ccccc1n2CC ZINC001461453066 1063514944 /nfs/dbraw/zinc/51/49/44/1063514944.db2.gz IMKZVZZPGOYDMT-INIZCTEOSA-N 0 3 308.425 4.105 20 30 DIEDHN C=C[C@H](COC)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001461454085 1063516070 /nfs/dbraw/zinc/51/60/70/1063516070.db2.gz WERDLMJMTVAZFV-MRXNPFEDSA-N 0 3 319.351 4.048 20 30 DIEDHN CCCCCCCCC[C@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC001258228084 1063569301 /nfs/dbraw/zinc/56/93/01/1063569301.db2.gz CXKVOLWYHUSBDU-VQTJNVASSA-N 0 3 324.553 4.312 20 30 DIEDHN C[C@@H]1Cc2cc(CNC3(c4ccc(C#N)cc4)CCC3)ccc2O1 ZINC001461613628 1063613410 /nfs/dbraw/zinc/61/34/10/1063613410.db2.gz WDRGUVXTYMIFBC-OAHLLOKOSA-N 0 3 318.420 4.051 20 30 DIEDHN N#Cc1ccc(CCNCc2ccc(F)c(Cl)c2Cl)cc1 ZINC001461633853 1063626294 /nfs/dbraw/zinc/62/62/94/1063626294.db2.gz RUDAERNDAJNBPB-UHFFFAOYSA-N 0 3 323.198 4.336 20 30 DIEDHN CSc1ccc(CNCc2ccc(F)c(C)c2)cc1C#N ZINC001461750425 1063694098 /nfs/dbraw/zinc/69/40/98/1063694098.db2.gz CPTARIOICKHVPR-UHFFFAOYSA-N 0 3 300.402 4.018 20 30 DIEDHN C=CCC[C@H](C)NCc1cn(Cc2ccccc2Cl)cn1 ZINC001258723729 1063776248 /nfs/dbraw/zinc/77/62/48/1063776248.db2.gz CYAYJBNCAAZWMB-AWEZNQCLSA-N 0 3 303.837 4.029 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(O)cc(Cl)c1 ZINC001461968401 1063849266 /nfs/dbraw/zinc/84/92/66/1063849266.db2.gz VVKKWRRJLCYRDO-UHFFFAOYSA-N 0 3 314.816 4.329 20 30 DIEDHN C=CCN(CCSc1ccc(OC)cc1)CCc1ccco1 ZINC001462001648 1063871915 /nfs/dbraw/zinc/87/19/15/1063871915.db2.gz NQSZHKJEWIQDHP-UHFFFAOYSA-N 0 3 317.454 4.111 20 30 DIEDHN CCc1cc(OC)ccc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC001462003608 1063873325 /nfs/dbraw/zinc/87/33/25/1063873325.db2.gz VEPUAAXVVKTCGV-UHFFFAOYSA-N 0 3 320.436 4.294 20 30 DIEDHN COc1ccc(C#N)cc1CN(C)CCCCc1ccccc1 ZINC001307418127 1065381533 /nfs/dbraw/zinc/38/15/33/1065381533.db2.gz IHGBVZSMXBSXIT-UHFFFAOYSA-N 0 3 308.425 4.022 20 30 DIEDHN CC(C)N(CC#Cc1ccc(F)cc1)Cc1ccc(N(C)C)cc1 ZINC001307423899 1065384188 /nfs/dbraw/zinc/38/41/88/1065384188.db2.gz JTJWOZBLSDJPLB-UHFFFAOYSA-N 0 3 324.443 4.154 20 30 DIEDHN C#CCN(C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001307431273 1065391498 /nfs/dbraw/zinc/39/14/98/1065391498.db2.gz VNGRUODKIBSFNA-NHCUHLMSSA-N 0 3 323.411 4.136 20 30 DIEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCCCC1 ZINC001307451230 1065409223 /nfs/dbraw/zinc/40/92/23/1065409223.db2.gz UXJVENVIYIVARX-UHFFFAOYSA-N 0 3 301.390 4.011 20 30 DIEDHN N#CCC1(CN[C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC001307621414 1065521984 /nfs/dbraw/zinc/52/19/84/1065521984.db2.gz IMDIRTFAGQJLPM-SFHVURJKSA-N 0 3 324.399 4.229 20 30 DIEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC001307696772 1065568002 /nfs/dbraw/zinc/56/80/02/1065568002.db2.gz AIZNVNUDXRRMHW-HZPDHXFCSA-N 0 3 308.878 4.366 20 30 DIEDHN CCC[C@]1(C(=O)OCC)CCCN1CCCCC1(C#N)CCC1 ZINC001307733122 1065594424 /nfs/dbraw/zinc/59/44/24/1065594424.db2.gz GXCCETRNUBCECJ-LJQANCHMSA-N 0 3 320.477 4.048 20 30 DIEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3CF)CC2)cc1 ZINC001307743000 1065599394 /nfs/dbraw/zinc/59/93/94/1065599394.db2.gz XRHKHVYIVORAAZ-UHFFFAOYSA-N 0 3 324.399 4.071 20 30 DIEDHN COc1ccc(C)cc1[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC001307828310 1065642525 /nfs/dbraw/zinc/64/25/25/1065642525.db2.gz ZZRNNYRMHSMNAY-MRXNPFEDSA-N 0 3 308.425 4.343 20 30 DIEDHN CN(Cc1ccc(F)cc1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC001307832143 1065644391 /nfs/dbraw/zinc/64/43/91/1065644391.db2.gz ITNGLMJAPNTKHF-PMACEKPBSA-N 0 3 308.400 4.465 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1 ZINC001307892729 1065669720 /nfs/dbraw/zinc/66/97/20/1065669720.db2.gz JKNJWSIYYOCQOZ-NJDAHSKKSA-N 0 3 318.420 4.053 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001307954682 1065698821 /nfs/dbraw/zinc/69/88/21/1065698821.db2.gz NRPKTOKEBBQJJW-KRWDZBQOSA-N 0 3 312.363 4.216 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(Br)cc1F ZINC001307981250 1065713171 /nfs/dbraw/zinc/71/31/71/1065713171.db2.gz FXINKZKOBNLYJD-UHFFFAOYSA-N 0 3 300.215 4.376 20 30 DIEDHN C=CCCC[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC001308041461 1065737826 /nfs/dbraw/zinc/73/78/26/1065737826.db2.gz UQBYXMUPZPCKHV-GOSISDBHSA-N 0 3 323.440 4.247 20 30 DIEDHN C#C[C@H]1CCCCN1Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001308140153 1065778509 /nfs/dbraw/zinc/77/85/09/1065778509.db2.gz DQJJGKTUWSYSRB-KRWDZBQOSA-N 0 3 314.429 4.021 20 30 DIEDHN CCC[C@@](C)(NCc1cc(C#N)ccc1OC)c1ccccc1 ZINC001308153012 1065782815 /nfs/dbraw/zinc/78/28/15/1065782815.db2.gz CSZAJVDQPNSMSU-HXUWFJFHSA-N 0 3 308.425 4.372 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(OCCC)c(C)c2)cc1 ZINC001308408511 1065967725 /nfs/dbraw/zinc/96/77/25/1065967725.db2.gz KIRNOFFEPLSCRY-UHFFFAOYSA-N 0 3 323.436 4.086 20 30 DIEDHN C#CCOc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC001308482593 1066020872 /nfs/dbraw/zinc/02/08/72/1066020872.db2.gz PVEFHNPCSHUTOS-LJQANCHMSA-N 0 3 311.812 4.129 20 30 DIEDHN CCc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC001308579621 1066096637 /nfs/dbraw/zinc/09/66/37/1066096637.db2.gz ZNDNRBFWOBTPSH-VQTJNVASSA-N 0 3 320.436 4.226 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1csc(C#N)c1 ZINC001308643385 1066134336 /nfs/dbraw/zinc/13/43/36/1066134336.db2.gz QNCGFUANTZZJNP-BDJLRTHQSA-N 0 3 320.845 4.139 20 30 DIEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723819 1066200356 /nfs/dbraw/zinc/20/03/56/1066200356.db2.gz HYWNAAYIBQRFBO-IUODEOHRSA-N 0 3 308.347 4.023 20 30 DIEDHN C=CCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCC1 ZINC001308763639 1066236702 /nfs/dbraw/zinc/23/67/02/1066236702.db2.gz VJLJCGYYFNSJHQ-UHFFFAOYSA-N 0 3 309.837 4.280 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCCc3c(F)cccc32)C1 ZINC001308793324 1066268417 /nfs/dbraw/zinc/26/84/17/1066268417.db2.gz YCFQYVSDKJHMNJ-WJAMPBCPSA-N 0 3 320.411 4.417 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC001308880354 1066359293 /nfs/dbraw/zinc/35/92/93/1066359293.db2.gz KSOJCOZKWBVIKP-CQSZACIVSA-N 0 3 300.427 4.224 20 30 DIEDHN C=CCC[C@H](CC)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001308926945 1066402966 /nfs/dbraw/zinc/40/29/66/1066402966.db2.gz RIHNLVCJCQBGHP-ZDUSSCGKSA-N 0 3 306.356 4.454 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000088764444 185264546 /nfs/dbraw/zinc/26/45/46/185264546.db2.gz MZTUJTWDIZOOLT-MRXNPFEDSA-N 0 3 305.425 4.009 20 30 DIEDHN C=C(C)COc1cc(CNCc2cccc(C)c2)ccc1OC ZINC000057960389 334952868 /nfs/dbraw/zinc/95/28/68/334952868.db2.gz KOZVIEFFHYAJHQ-UHFFFAOYSA-N 0 3 311.425 4.248 20 30 DIEDHN N#CCCC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000563808174 335023347 /nfs/dbraw/zinc/02/33/47/335023347.db2.gz NTRFNIOCOHNPCN-UHFFFAOYSA-N 0 3 313.832 4.404 20 30 DIEDHN C=CCC[C@H](N[C@@H](C)C[C@@H](O)c1cccs1)c1ccco1 ZINC000286208017 335030472 /nfs/dbraw/zinc/03/04/72/335030472.db2.gz RXSIJZAFOMICPW-SOUVJXGZSA-N 0 3 305.443 4.450 20 30 DIEDHN C=CCC[C@H](N[C@@H](C)C[C@H](O)c1cccs1)c1ccco1 ZINC000286208002 335030646 /nfs/dbraw/zinc/03/06/46/335030646.db2.gz RXSIJZAFOMICPW-KKUMJFAQSA-N 0 3 305.443 4.450 20 30 DIEDHN C=CCC[C@H](NC1CCN(c2nccs2)CC1)c1ccco1 ZINC000286958844 335037907 /nfs/dbraw/zinc/03/79/07/335037907.db2.gz BWYDRSCGKFGLAW-HNNXBMFYSA-N 0 3 317.458 4.002 20 30 DIEDHN C=CCC[C@@H](NC1CCN(c2nccs2)CC1)c1ccco1 ZINC000286958852 335037953 /nfs/dbraw/zinc/03/79/53/335037953.db2.gz BWYDRSCGKFGLAW-OAHLLOKOSA-N 0 3 317.458 4.002 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000287534684 335044154 /nfs/dbraw/zinc/04/41/54/335044154.db2.gz PCEXUOHWGXBWPN-OAHLLOKOSA-N 0 3 309.409 4.132 20 30 DIEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924850 131210448 /nfs/dbraw/zinc/21/04/48/131210448.db2.gz DXIFZVWFKGHYHS-CABCVRRESA-N 0 3 324.424 4.296 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038933 131217219 /nfs/dbraw/zinc/21/72/19/131217219.db2.gz KKVXVBHNTHFKBL-HUUCEWRRSA-N 0 3 324.424 4.296 20 30 DIEDHN C=CCc1cccc(C(C)C)c1NC(=O)CC1CCN(C)CC1 ZINC000292731984 335093689 /nfs/dbraw/zinc/09/36/89/335093689.db2.gz DNONGMZKKDKJAX-UHFFFAOYSA-N 0 3 314.473 4.209 20 30 DIEDHN C=CCCOCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000537951188 331596159 /nfs/dbraw/zinc/59/61/59/331596159.db2.gz CBLBJVLGAKYASL-NSHDSACASA-N 0 3 319.779 4.185 20 30 DIEDHN CC[C@H](CNCc1cc(C#N)cs1)Oc1ccccc1Cl ZINC000530903922 331633316 /nfs/dbraw/zinc/63/33/16/331633316.db2.gz PJIVXHWNWIKCGT-CYBMUJFWSA-N 0 3 320.845 4.220 20 30 DIEDHN COc1cccc2c1CCC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000584092284 331709907 /nfs/dbraw/zinc/70/99/07/331709907.db2.gz MFJHLZVPDPKRLH-AUUYWEPGSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccccc1/C=C\CN[C@H](CCC#N)c1ccccc1 ZINC000255141489 331716108 /nfs/dbraw/zinc/71/61/08/331716108.db2.gz JERGZFFPINYQMZ-KEEQEYLASA-N 0 3 306.409 4.343 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3cc(OC)ccc32)cc1 ZINC000556915379 331753336 /nfs/dbraw/zinc/75/33/36/331753336.db2.gz PKTYUHBRAPZPAI-NRFANRHFSA-N 0 3 323.436 4.427 20 30 DIEDHN C=CCCCC[C@H](C)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000449114292 331802278 /nfs/dbraw/zinc/80/22/78/331802278.db2.gz ZCPKHKRSKIDCFV-JKSUJKDBSA-N 0 3 304.482 4.180 20 30 DIEDHN C=CCCCC[C@H](C)N[C@@H](CC)c1nnc2n1CCCCC2 ZINC000449114288 331802294 /nfs/dbraw/zinc/80/22/94/331802294.db2.gz ZCPKHKRSKIDCFV-HOTGVXAUSA-N 0 3 304.482 4.180 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 ZINC000557753805 331813562 /nfs/dbraw/zinc/81/35/62/331813562.db2.gz KMHMKRNCKKTXIX-ZDUSSCGKSA-N 0 3 300.427 4.259 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153804 331983148 /nfs/dbraw/zinc/98/31/48/331983148.db2.gz LEFIOUKTVXHADF-HOTGVXAUSA-N 0 3 302.368 4.136 20 30 DIEDHN C=CCN(CCCCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000410335010 332113834 /nfs/dbraw/zinc/11/38/34/332113834.db2.gz KAUNRFPVSJEOCK-UHFFFAOYSA-N 0 3 312.457 4.143 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)c(F)c1 ZINC000559359961 332128260 /nfs/dbraw/zinc/12/82/60/332128260.db2.gz WLUZHTKBXOZSPY-SHTZXODSSA-N 0 3 314.791 4.387 20 30 DIEDHN C=C(C)COCCN[C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000560245110 332322989 /nfs/dbraw/zinc/32/29/89/332322989.db2.gz RWPCOHHFSPLLOA-CQSZACIVSA-N 0 3 311.853 4.371 20 30 DIEDHN N#Cc1cccc(C2(N[C@@H]3CCc4cc(Cl)ccc43)CC2)c1 ZINC000560269122 332325659 /nfs/dbraw/zinc/32/56/59/332325659.db2.gz OQZYWYVDURJJKE-GOSISDBHSA-N 0 3 308.812 4.478 20 30 DIEDHN N#Cc1cccc(C2(N[C@H]3CCc4c3cccc4Cl)CC2)c1 ZINC000560269250 332325778 /nfs/dbraw/zinc/32/57/78/332325778.db2.gz SSIXFXKTBUKUPH-SFHVURJKSA-N 0 3 308.812 4.478 20 30 DIEDHN C[C@H](c1ccc(Cl)cc1)N(C)CCOc1cccc(C#N)c1 ZINC000387527885 332329499 /nfs/dbraw/zinc/32/94/99/332329499.db2.gz PKDGVQZGYFNRAA-CQSZACIVSA-N 0 3 314.816 4.283 20 30 DIEDHN C=CCC[C@@H](NCCc1ccc(OC)c(F)c1)c1ccco1 ZINC000560530297 332352538 /nfs/dbraw/zinc/35/25/38/332352538.db2.gz XROYCKNJSVTJLI-MRXNPFEDSA-N 0 3 303.377 4.267 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)cc1 ZINC000560571957 332362567 /nfs/dbraw/zinc/36/25/67/332362567.db2.gz PARAPJXSCHJYTK-XOBRGWDASA-N 0 3 311.400 4.414 20 30 DIEDHN CCOc1ccc([C@@H](NCCCC#N)C(C)C)cc1OCC ZINC000120190752 332384278 /nfs/dbraw/zinc/38/42/78/332384278.db2.gz YDARHSWHHSWOCJ-SFHVURJKSA-N 0 3 304.434 4.074 20 30 DIEDHN C[C@H]1CCC[C@@H](CCN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930418 332395067 /nfs/dbraw/zinc/39/50/67/332395067.db2.gz UPIZVTRCZLQURX-ROUUACIJSA-N 0 3 311.473 4.155 20 30 DIEDHN CC(C)(C)[C@@H](CC1CCCCC1)NCc1nc(C#N)cs1 ZINC000564410435 332396133 /nfs/dbraw/zinc/39/61/33/332396133.db2.gz OFHLVDPKRPXUSM-OAHLLOKOSA-N 0 3 305.491 4.489 20 30 DIEDHN CC(C)(C)[C@H](CC1CCCCC1)NCc1nc(C#N)cs1 ZINC000564410434 332396142 /nfs/dbraw/zinc/39/61/42/332396142.db2.gz OFHLVDPKRPXUSM-HNNXBMFYSA-N 0 3 305.491 4.489 20 30 DIEDHN Cc1cccc(CN(C)C(=O)C(C#N)CCc2ccccc2)c1C ZINC000560954247 332396250 /nfs/dbraw/zinc/39/62/50/332396250.db2.gz IDWHHQCLKQBDGF-IBGZPJMESA-N 0 3 320.436 4.034 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000561159407 332418359 /nfs/dbraw/zinc/41/83/59/332418359.db2.gz DPJCAUJDSPJHHL-NHCUHLMSSA-N 0 3 313.404 4.084 20 30 DIEDHN C=CCC1(CNCc2ncc(Br)s2)CCCC1 ZINC000449603055 332440957 /nfs/dbraw/zinc/44/09/57/332440957.db2.gz FLTUPWSTUYTZIZ-UHFFFAOYSA-N 0 3 315.280 4.132 20 30 DIEDHN CC(C)O[C@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000428318103 332458495 /nfs/dbraw/zinc/45/84/95/332458495.db2.gz ZTWVDJMWNGTWPA-OXQOHEQNSA-N 0 3 308.425 4.375 20 30 DIEDHN COc1ccc([C@@H]2CCCN2CCCC(C)(C)C#N)cc1OC ZINC000174863197 333092005 /nfs/dbraw/zinc/09/20/05/333092005.db2.gz IERGFKWSDVSZAY-INIZCTEOSA-N 0 3 316.445 4.171 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H](C)Oc1cccc(C)c1 ZINC000462736377 333101647 /nfs/dbraw/zinc/10/16/47/333101647.db2.gz SGFWCZKWNATAQG-KRWDZBQOSA-N 0 3 311.425 4.117 20 30 DIEDHN Cc1cc(C)c([C@H](C)NCc2ccc(OCC#N)cc2)cc1C ZINC000180552619 333163092 /nfs/dbraw/zinc/16/30/92/333163092.db2.gz ZBPNJUUSICPSSF-KRWDZBQOSA-N 0 3 308.425 4.365 20 30 DIEDHN Cc1cc(C)c(CN[C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000182004070 333174393 /nfs/dbraw/zinc/17/43/93/333174393.db2.gz BTMVPAUAPRHLEN-KRWDZBQOSA-N 0 3 308.425 4.365 20 30 DIEDHN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000182221466 333176838 /nfs/dbraw/zinc/17/68/38/333176838.db2.gz VHWPLOVRYJYCHB-CQSZACIVSA-N 0 3 310.372 4.068 20 30 DIEDHN CC(NCCCSCC#N)(c1ccccc1)c1ccccc1 ZINC000182216039 333176842 /nfs/dbraw/zinc/17/68/42/333176842.db2.gz SPYTVJAJMOZSPO-UHFFFAOYSA-N 0 3 310.466 4.187 20 30 DIEDHN N#CCC1(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000430735997 335126624 /nfs/dbraw/zinc/12/66/24/335126624.db2.gz BPFLJAHLINRFNS-OAHLLOKOSA-N 0 3 308.347 4.440 20 30 DIEDHN Cc1ccc(C[C@@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831283 333214807 /nfs/dbraw/zinc/21/48/07/333214807.db2.gz ZCAHMWYDNJNORT-IRFCIJBXSA-N 0 3 319.452 4.346 20 30 DIEDHN C[C@H](NCCCSCC#N)c1cc(Cl)ccc1Cl ZINC000186780494 333222969 /nfs/dbraw/zinc/22/29/69/333222969.db2.gz LSAJMKCNTMFDGL-JTQLQIEISA-N 0 3 303.258 4.291 20 30 DIEDHN CCOc1ccc([C@@H](CC)NCC2(CC#N)CC2)cc1OCC ZINC000430739336 335129280 /nfs/dbraw/zinc/12/92/80/335129280.db2.gz HYEWFPNEOPZUEM-MRXNPFEDSA-N 0 3 316.445 4.219 20 30 DIEDHN C[C@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000497388530 333244337 /nfs/dbraw/zinc/24/43/37/333244337.db2.gz UHPOJSAVKQNRLG-VHFSOBRXSA-N 0 3 324.399 4.126 20 30 DIEDHN C[C@H](c1cc2ccccc2o1)N(C)CCOc1ccccc1C#N ZINC000497584584 333265956 /nfs/dbraw/zinc/26/59/56/333265956.db2.gz HPSZJEYMYTZXLP-OAHLLOKOSA-N 0 3 320.392 4.376 20 30 DIEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCCO1 ZINC000497728240 333283949 /nfs/dbraw/zinc/28/39/49/333283949.db2.gz SUOIAGVDNFJNON-HXUWFJFHSA-N 0 3 320.436 4.226 20 30 DIEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC000499828566 333314282 /nfs/dbraw/zinc/31/42/82/333314282.db2.gz AEXLDQFCKMRVDH-SFHVURJKSA-N 0 3 320.521 4.140 20 30 DIEDHN C[C@H](NCCOCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000339071507 333508024 /nfs/dbraw/zinc/50/80/24/333508024.db2.gz RFVFFMBXSDGNDT-INIZCTEOSA-N 0 3 310.397 4.060 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913431 335149981 /nfs/dbraw/zinc/14/99/81/335149981.db2.gz PKLCJNQLSUICGW-IRXDYDNUSA-N 0 3 310.828 4.467 20 30 DIEDHN COc1ccc(CN[C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000571170964 333675944 /nfs/dbraw/zinc/67/59/44/333675944.db2.gz AUVPCPDQUIVJBQ-IBGZPJMESA-N 0 3 312.388 4.359 20 30 DIEDHN CC(=O)Nc1cccc([C@@H](C)NCCC2(C#N)CCCCC2)c1 ZINC000411451694 333676016 /nfs/dbraw/zinc/67/60/16/333676016.db2.gz VTVGZFARIGREPL-OAHLLOKOSA-N 0 3 313.445 4.160 20 30 DIEDHN Cc1ccc(C2CCN(CCC3(C#N)CCCCC3)CC2)cn1 ZINC000411506478 333684275 /nfs/dbraw/zinc/68/42/75/333684275.db2.gz PYMPMWNPBPOGLQ-UHFFFAOYSA-N 0 3 311.473 4.434 20 30 DIEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012177 333719459 /nfs/dbraw/zinc/71/94/59/333719459.db2.gz WVROLIYXVLMKKP-GOSISDBHSA-N 0 3 314.473 4.200 20 30 DIEDHN COc1ccc([C@H](NCC(C)(C)CC#N)c2ccccc2)cc1 ZINC000414164313 333915915 /nfs/dbraw/zinc/91/59/15/333915915.db2.gz KEBLLRWNPCUUQH-LJQANCHMSA-N 0 3 308.425 4.314 20 30 DIEDHN CC[C@H](NCc1cnccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000414236918 333917682 /nfs/dbraw/zinc/91/76/82/333917682.db2.gz WDYRVQYHOYGMIJ-IBGZPJMESA-N 0 3 307.441 4.492 20 30 DIEDHN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002432 333977959 /nfs/dbraw/zinc/97/79/59/333977959.db2.gz CZMXBXYNERHZGH-YJYMSZOUSA-N 0 3 310.372 4.066 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506440 334001004 /nfs/dbraw/zinc/00/10/04/334001004.db2.gz WMJQAJDOKIFSNK-GXTWGEPZSA-N 0 3 317.845 4.094 20 30 DIEDHN N#Cc1csc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506442 334001033 /nfs/dbraw/zinc/00/10/33/334001033.db2.gz WMJQAJDOKIFSNK-JSGCOSHPSA-N 0 3 317.845 4.094 20 30 DIEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(CSC)s1 ZINC000414536889 334012696 /nfs/dbraw/zinc/01/26/96/334012696.db2.gz OCJHQUQYKLQPJA-HNNXBMFYSA-N 0 3 318.511 4.283 20 30 DIEDHN CCOc1ccccc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271523519 334024318 /nfs/dbraw/zinc/02/43/18/334024318.db2.gz VFEKUBBEOPDPSF-HZPDHXFCSA-N 0 3 324.424 4.399 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829742 334027556 /nfs/dbraw/zinc/02/75/56/334027556.db2.gz DRKHJUUXJRVEQO-OXJNMPFZSA-N 0 3 304.393 4.004 20 30 DIEDHN CCOc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1OCC ZINC000272029495 334029710 /nfs/dbraw/zinc/02/97/10/334029710.db2.gz OXMFWDIFENWWBE-CQSZACIVSA-N 0 3 304.434 4.074 20 30 DIEDHN CCOc1cc(CNCCCC#N)ccc1OCc1ccccc1 ZINC000273109302 334043488 /nfs/dbraw/zinc/04/34/88/334043488.db2.gz XEXOPPCBSPLQDP-UHFFFAOYSA-N 0 3 324.424 4.058 20 30 DIEDHN C[C@@H](NCCCCC(C)(C)C#N)c1ccc(Br)cn1 ZINC000280588522 334118627 /nfs/dbraw/zinc/11/86/27/334118627.db2.gz UBTZETIZGPCONC-GFCCVEGCSA-N 0 3 324.266 4.215 20 30 DIEDHN CCN(CCCC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000282082403 334131106 /nfs/dbraw/zinc/13/11/06/334131106.db2.gz UOBFCZBAYDOFFM-UHFFFAOYSA-N 0 3 320.864 4.262 20 30 DIEDHN N#CC1CCC(CN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000282198689 334132360 /nfs/dbraw/zinc/13/23/60/334132360.db2.gz GSBPTFYPIBBPCF-ALLBUHFWSA-N 0 3 323.415 4.230 20 30 DIEDHN N#CCC[C@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504261 334135329 /nfs/dbraw/zinc/13/53/29/334135329.db2.gz YKJDRRYAURZSLN-APWZRJJASA-N 0 3 315.420 4.270 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289439475 334165372 /nfs/dbraw/zinc/16/53/72/334165372.db2.gz DOHWRAXXMIKUND-RTBURBONSA-N 0 3 324.468 4.021 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H]1CCCc2cc(N)ccc21 ZINC000414910723 334173363 /nfs/dbraw/zinc/17/33/63/334173363.db2.gz GATLWZSXZPXDKR-LJQANCHMSA-N 0 3 308.425 4.001 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827695 334192912 /nfs/dbraw/zinc/19/29/12/334192912.db2.gz ONQVFEZDTCPABT-CJNGLKHVSA-N 0 3 309.388 4.088 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562548 334199174 /nfs/dbraw/zinc/19/91/74/334199174.db2.gz MGGZYVUIHDSKOP-XNRPHZJLSA-N 0 3 306.862 4.199 20 30 DIEDHN Cc1ncc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449710 334205458 /nfs/dbraw/zinc/20/54/58/334205458.db2.gz WAAMBFIHWGCRIC-KXBFYZLASA-N 0 3 308.429 4.179 20 30 DIEDHN CN(CCCCC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296307567 334231737 /nfs/dbraw/zinc/23/17/37/334231737.db2.gz NVXLCRKXGRTCHQ-INIZCTEOSA-N 0 3 308.853 4.025 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758657 334477738 /nfs/dbraw/zinc/47/77/38/334477738.db2.gz AQEZDHCXDVOBFH-VLIAUNLRSA-N 0 3 301.393 4.158 20 30 DIEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1C ZINC000341763272 334478519 /nfs/dbraw/zinc/47/85/19/334478519.db2.gz WNINLDJNWPSMTA-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000342623359 334555239 /nfs/dbraw/zinc/55/52/39/334555239.db2.gz YNXVDMNJLVSURP-CYBMUJFWSA-N 0 3 306.837 4.472 20 30 DIEDHN N#Cc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417306632 334704544 /nfs/dbraw/zinc/70/45/44/334704544.db2.gz CWCAGVQWQYYURF-LJQANCHMSA-N 0 3 321.380 4.024 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1COCc2ccccc21 ZINC000417361310 334735701 /nfs/dbraw/zinc/73/57/01/334735701.db2.gz KPHNRAZRWMSSTG-RTWAWAEBSA-N 0 3 318.420 4.187 20 30 DIEDHN CC(C)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373249 334764923 /nfs/dbraw/zinc/76/49/23/334764923.db2.gz XAJCBXNFBXTRCJ-UXHICEINSA-N 0 3 305.425 4.318 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393388 334820782 /nfs/dbraw/zinc/82/07/82/334820782.db2.gz UGPYJAKWCLVZSU-DJJJIMSYSA-N 0 3 321.380 4.195 20 30 DIEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000189578114 334902298 /nfs/dbraw/zinc/90/22/98/334902298.db2.gz XYMOSICTJTUDQB-JTQLQIEISA-N 0 3 308.212 4.054 20 30 DIEDHN N#CC(C(=O)c1cccc2ccsc21)c1nc2ccccc2[nH]1 ZINC000343943753 335203585 /nfs/dbraw/zinc/20/35/85/335203585.db2.gz IZYYWJMQYYVQPJ-CYBMUJFWSA-N 0 3 317.373 4.268 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000344821399 335281263 /nfs/dbraw/zinc/28/12/63/335281263.db2.gz JCCFRGGXUUKVNB-OAHLLOKOSA-N 0 3 308.372 4.037 20 30 DIEDHN C[C@@H](NCc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000346126952 335377037 /nfs/dbraw/zinc/37/70/37/335377037.db2.gz BYGFUNXWRWBTQK-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN C=C(CN[C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000346781196 335440263 /nfs/dbraw/zinc/44/02/63/335440263.db2.gz PVSJYWBDFRAYMQ-OAHLLOKOSA-N 0 3 324.424 4.018 20 30 DIEDHN COc1cc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687294 335602485 /nfs/dbraw/zinc/60/24/85/335602485.db2.gz UBTCVHGMYAUDRB-IFXJQAMLSA-N 0 3 321.424 4.080 20 30 DIEDHN Cc1cc([C@H](NCc2cc(C#N)cs2)C2CC2)ccc1F ZINC000536098871 335819895 /nfs/dbraw/zinc/81/98/95/335819895.db2.gz KOISCBIVQJBXBU-QGZVFWFLSA-N 0 3 300.402 4.308 20 30 DIEDHN C=CCC[C@H](NCCOc1ncccc1Cl)c1ccco1 ZINC000572506878 338506429 /nfs/dbraw/zinc/50/64/29/338506429.db2.gz SYOPPNVAAGPFHO-AWEZNQCLSA-N 0 3 306.793 4.004 20 30 DIEDHN CC1(C#N)CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000332336413 336168788 /nfs/dbraw/zinc/16/87/88/336168788.db2.gz DCQLOGCKQRRQJP-UHFFFAOYSA-N 0 3 315.420 4.351 20 30 DIEDHN Cc1cc([C@@H](C)NCC2(CC#N)CC2)sc1Br ZINC000352704379 336231338 /nfs/dbraw/zinc/23/13/38/336231338.db2.gz JKVPSAQGOJJURZ-SNVBAGLBSA-N 0 3 313.264 4.164 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000042797086 336242751 /nfs/dbraw/zinc/24/27/51/336242751.db2.gz HZJJSLOKOMHSID-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C=CC1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000532557216 336255551 /nfs/dbraw/zinc/25/55/51/336255551.db2.gz DURMDUPQMRDFEB-UHFFFAOYSA-N 0 3 308.425 4.059 20 30 DIEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000532588000 336256603 /nfs/dbraw/zinc/25/66/03/336256603.db2.gz BOINKOGCCZWEHW-UHFFFAOYSA-N 0 3 312.363 4.048 20 30 DIEDHN CC(C)[C@H]1C[C@H](CNCc2nc(C#N)cs2)c2ccccc21 ZINC000352863257 336282877 /nfs/dbraw/zinc/28/28/77/336282877.db2.gz TXRDFJOECOAZAC-CXAGYDPISA-N 0 3 311.454 4.031 20 30 DIEDHN C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301642016 336320082 /nfs/dbraw/zinc/32/00/82/336320082.db2.gz ZEPGOMVDAGHEPL-UHFFFAOYSA-N 0 3 323.362 4.029 20 30 DIEDHN C=C(C)CN1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302291399 336356857 /nfs/dbraw/zinc/35/68/57/336356857.db2.gz NKWRKYJSRMGGHN-UHFFFAOYSA-N 0 3 323.362 4.029 20 30 DIEDHN CN1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000302836986 336371560 /nfs/dbraw/zinc/37/15/60/336371560.db2.gz XAWMMTGKUMXJFF-MSOLQXFVSA-N 0 3 311.816 4.069 20 30 DIEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139033 336374864 /nfs/dbraw/zinc/37/48/64/336374864.db2.gz WCKFNBOHQSNWES-UGSOOPFHSA-N 0 3 314.816 4.250 20 30 DIEDHN N#C[C@H]1CCC[C@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000193093647 336396992 /nfs/dbraw/zinc/39/69/92/336396992.db2.gz OUGAYEQYTZOWFA-WFASDCNBSA-N 0 3 319.246 4.110 20 30 DIEDHN COc1cc(CN[C@H]2CC[C@@H](C)c3ccccc32)ccc1C#N ZINC000353626855 336429903 /nfs/dbraw/zinc/42/99/03/336429903.db2.gz UYDVDRDNPDQMMZ-KUHUBIRLSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000353660785 336432685 /nfs/dbraw/zinc/43/26/85/336432685.db2.gz OJFFUYANCUQKLL-LJQANCHMSA-N 0 3 306.409 4.364 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000353881261 336445744 /nfs/dbraw/zinc/44/57/44/336445744.db2.gz LCPREFYBQBEFDX-OAQYLSRUSA-N 0 3 318.420 4.290 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000353904488 336447200 /nfs/dbraw/zinc/44/72/00/336447200.db2.gz ACSNFWUXDYAWMH-FQEVSTJZSA-N 0 3 308.425 4.288 20 30 DIEDHN C=CCCOCCN[C@H](CC)c1ccccc1Br ZINC000358352385 336625670 /nfs/dbraw/zinc/62/56/70/336625670.db2.gz IMCQJYYSVSEBLM-OAHLLOKOSA-N 0 3 312.251 4.083 20 30 DIEDHN Cc1csc(CCCCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358559865 336634581 /nfs/dbraw/zinc/63/45/81/336634581.db2.gz DQFAOAUWYWBLHQ-ZDUSSCGKSA-N 0 3 317.433 4.136 20 30 DIEDHN C[C@@H](NCc1ccc2ncccc2c1)c1ccc(C#N)c(F)c1 ZINC000359024197 336654007 /nfs/dbraw/zinc/65/40/07/336654007.db2.gz AVZOBLFUHGQKSS-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN CC(C)n1ncc2c1[C@@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084023 336921626 /nfs/dbraw/zinc/92/16/26/336921626.db2.gz QADRZZIONXVXMJ-KDOFPFPSSA-N 0 3 308.429 4.064 20 30 DIEDHN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084022 336921698 /nfs/dbraw/zinc/92/16/98/336921698.db2.gz QADRZZIONXVXMJ-KBXCAEBGSA-N 0 3 308.429 4.064 20 30 DIEDHN C=CCOc1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374469763 336989905 /nfs/dbraw/zinc/98/99/05/336989905.db2.gz HNUFWWKFJKGWOU-CTNGQTDRSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCOc1cccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374469767 336989951 /nfs/dbraw/zinc/98/99/51/336989951.db2.gz HNUFWWKFJKGWOU-PZJWPPBQSA-N 0 3 323.436 4.119 20 30 DIEDHN Cc1cccc([C@@H](C)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376734972 337040064 /nfs/dbraw/zinc/04/00/64/337040064.db2.gz CZSNKWOJUHQZCR-QGZVFWFLSA-N 0 3 305.425 4.008 20 30 DIEDHN N#Cc1cccc(C2(NCCc3ccc(F)cc3Cl)CC2)c1 ZINC000582698164 337121688 /nfs/dbraw/zinc/12/16/88/337121688.db2.gz WHUVDSRBECCVOW-UHFFFAOYSA-N 0 3 314.791 4.172 20 30 DIEDHN C=CCCN(CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177212371 337154779 /nfs/dbraw/zinc/15/47/79/337154779.db2.gz QELRDERIOICVAB-UHFFFAOYSA-N 0 3 305.809 4.178 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000177391304 337155705 /nfs/dbraw/zinc/15/57/05/337155705.db2.gz LCLPZTZFLBWZDC-CVEARBPZSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OCC2CCCC2)CC1 ZINC000177481880 337156146 /nfs/dbraw/zinc/15/61/46/337156146.db2.gz LVVLUIUNICJNKW-INIZCTEOSA-N 0 3 312.457 4.290 20 30 DIEDHN N#CCCC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000583025870 337228336 /nfs/dbraw/zinc/22/83/36/337228336.db2.gz BSZBGSMQPZLQAU-UHFFFAOYSA-N 0 3 317.483 4.387 20 30 DIEDHN C[C@@H]1C[C@@]1(NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381064 337298352 /nfs/dbraw/zinc/29/83/52/337298352.db2.gz ZLPATRIVZPNHGN-KUHUBIRLSA-N 0 3 310.828 4.431 20 30 DIEDHN C[C@H]1C[C@@]1(NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381065 337298449 /nfs/dbraw/zinc/29/84/49/337298449.db2.gz ZLPATRIVZPNHGN-LIRRHRJNSA-N 0 3 310.828 4.431 20 30 DIEDHN N#CCCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000399306546 337315036 /nfs/dbraw/zinc/31/50/36/337315036.db2.gz CLZYDEWWOIOQCI-UHFFFAOYSA-N 0 3 312.335 4.101 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)ccc1C#N ZINC000583782483 337332572 /nfs/dbraw/zinc/33/25/72/337332572.db2.gz NHPVDTPANIXOHX-AWEZNQCLSA-N 0 3 312.388 4.174 20 30 DIEDHN CC[C@H](c1ccncc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000583839259 337340705 /nfs/dbraw/zinc/34/07/05/337340705.db2.gz ASWYLNMJXLDQAC-HXUWFJFHSA-N 0 3 323.440 4.347 20 30 DIEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264766 337594155 /nfs/dbraw/zinc/59/41/55/337594155.db2.gz KNANYTQXIXXDPA-RKDXNWHRSA-N 0 3 308.636 4.234 20 30 DIEDHN C=C(CN[C@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000271287935 337643813 /nfs/dbraw/zinc/64/38/13/337643813.db2.gz DMFJUVBFLKXWCN-CQSZACIVSA-N 0 3 316.470 4.004 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557470 337644892 /nfs/dbraw/zinc/64/48/92/337644892.db2.gz SZXCSYYTYHBSLC-UWJYYQICSA-N 0 3 323.436 4.127 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3c(Cl)cccc32)s1 ZINC000421871761 337657363 /nfs/dbraw/zinc/65/73/63/337657363.db2.gz GECCYSIYBLQCGN-MRXNPFEDSA-N 0 3 302.830 4.440 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338959 337712871 /nfs/dbraw/zinc/71/28/71/337712871.db2.gz BDJSWVLLBDBEKJ-CWTRNNRKSA-N 0 3 309.388 4.008 20 30 DIEDHN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428212 337717065 /nfs/dbraw/zinc/71/70/65/337717065.db2.gz GFSHXIGRIJYOOO-ACJLOTCBSA-N 0 3 321.424 4.093 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccn1)C1CCC1)CC2 ZINC000527962517 337780374 /nfs/dbraw/zinc/78/03/74/337780374.db2.gz FYHOFPTWDVMDAF-AZUAARDMSA-N 0 3 303.409 4.072 20 30 DIEDHN C/C(=C/c1cccc(C(F)(F)F)c1)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424208339 337809789 /nfs/dbraw/zinc/80/97/89/337809789.db2.gz ZDUZGXJEVCRRRO-CUOOIUKUSA-N 0 3 308.347 4.391 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424327975 337821676 /nfs/dbraw/zinc/82/16/76/337821676.db2.gz NLDGGKWOBLXRHP-IVMMDQJWSA-N 0 3 311.454 4.461 20 30 DIEDHN N#Cc1ccc(CNCCOc2ccc3ccccc3c2)c(F)c1 ZINC000533311623 337840723 /nfs/dbraw/zinc/84/07/23/337840723.db2.gz HNMIXDGPQIIXAQ-UHFFFAOYSA-N 0 3 320.367 4.019 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000537063331 337885478 /nfs/dbraw/zinc/88/54/78/337885478.db2.gz WJHWZVNQFOIFJU-INIZCTEOSA-N 0 3 324.424 4.075 20 30 DIEDHN Cc1ccc(C(=O)C2CCN(CC(C)(C)CCC#N)CC2)cc1 ZINC000092187544 337901305 /nfs/dbraw/zinc/90/13/05/337901305.db2.gz GLZTVZAITXSSJI-UHFFFAOYSA-N 0 3 312.457 4.220 20 30 DIEDHN C=CCOc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1 ZINC000092454032 337904379 /nfs/dbraw/zinc/90/43/79/337904379.db2.gz ADNFQEZUBNIGBW-UHFFFAOYSA-N 0 3 303.446 4.031 20 30 DIEDHN C=CCOc1ccccc1CNCCc1ccc(Cl)s1 ZINC000061115644 337925545 /nfs/dbraw/zinc/92/55/45/337925545.db2.gz NNKRYHVCNVCXMO-UHFFFAOYSA-N 0 3 307.846 4.299 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000537869393 337963921 /nfs/dbraw/zinc/96/39/21/337963921.db2.gz PLOJPYXXZOLIMH-CTNGQTDRSA-N 0 3 323.436 4.119 20 30 DIEDHN CCN(CCOc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000516197580 338007162 /nfs/dbraw/zinc/00/71/62/338007162.db2.gz ITTABEVWLUXSMJ-OAHLLOKOSA-N 0 3 312.388 4.159 20 30 DIEDHN C=CCC[C@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311437 338026169 /nfs/dbraw/zinc/02/61/69/338026169.db2.gz NSOXZFXXNLWTBF-WBVHZDCISA-N 0 3 314.404 4.295 20 30 DIEDHN CC(C)O[C@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000428334220 338047651 /nfs/dbraw/zinc/04/76/51/338047651.db2.gz VYINPWKPHGXGGI-HXUWFJFHSA-N 0 3 320.436 4.303 20 30 DIEDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCCCC(C)(C)C#N ZINC000429256068 338074968 /nfs/dbraw/zinc/07/49/68/338074968.db2.gz OWXHCYZGVWSMIS-INIZCTEOSA-N 0 3 317.452 4.056 20 30 DIEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000429800668 338090182 /nfs/dbraw/zinc/09/01/82/338090182.db2.gz SGUKRJDANDDIGB-CQSZACIVSA-N 0 3 307.235 4.184 20 30 DIEDHN N#CCC1(CN[C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000430751162 338113683 /nfs/dbraw/zinc/11/36/83/338113683.db2.gz SUOUXQHURNKQMU-OAHLLOKOSA-N 0 3 319.246 4.110 20 30 DIEDHN N#CCc1ccc(CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434502352 338218804 /nfs/dbraw/zinc/21/88/04/338218804.db2.gz ZQYZTZUQUYQEGZ-UHFFFAOYSA-N 0 3 308.400 4.213 20 30 DIEDHN CC1(C)CCN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000435043199 338230570 /nfs/dbraw/zinc/23/05/70/338230570.db2.gz ABBKLXVEQNLACB-UHFFFAOYSA-N 0 3 318.486 4.087 20 30 DIEDHN CCN(Cc1ccc(-c2cc[nH]n2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000435126621 338232704 /nfs/dbraw/zinc/23/27/04/338232704.db2.gz OTGXCJJOYYCBLI-CQSZACIVSA-N 0 3 320.396 4.124 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccc1Br ZINC000435672065 338244800 /nfs/dbraw/zinc/24/48/00/338244800.db2.gz HFQDLAISQUBUSV-XEZPLFJOSA-N 0 3 324.262 4.081 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000435733948 338246865 /nfs/dbraw/zinc/24/68/65/338246865.db2.gz VUGMCPQSBOWYEQ-DNVCBOLYSA-N 0 3 313.397 4.143 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cccc1Cl ZINC000435735449 338246960 /nfs/dbraw/zinc/24/69/60/338246960.db2.gz MYLFWGVMFKPSTP-XHDPSFHLSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000435738266 338247060 /nfs/dbraw/zinc/24/70/60/338247060.db2.gz QERHRTBCLFLLMY-BLLLJJGKSA-N 0 3 305.805 4.157 20 30 DIEDHN C=CCCOCCNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436412373 338271543 /nfs/dbraw/zinc/27/15/43/338271543.db2.gz FTRVBCITTDKZOH-UHFFFAOYSA-N 0 3 307.743 4.041 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)cc1 ZINC000438483747 338345625 /nfs/dbraw/zinc/34/56/25/338345625.db2.gz FLGYXJFJIYDXAZ-HNNXBMFYSA-N 0 3 301.352 4.318 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1Cl ZINC000439439868 338369490 /nfs/dbraw/zinc/36/94/90/338369490.db2.gz NAXXUTCUBKWSQR-ZDUSSCGKSA-N 0 3 304.743 4.278 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000440613346 338392386 /nfs/dbraw/zinc/39/23/86/338392386.db2.gz NVLMCTWOOAPPRY-LBPRGKRZSA-N 0 3 323.421 4.027 20 30 DIEDHN CSc1ccccc1[C@H](C)NCCOc1ccccc1C#N ZINC000440630839 338393224 /nfs/dbraw/zinc/39/32/24/338393224.db2.gz SPHLGHWNYJQNTF-AWEZNQCLSA-N 0 3 312.438 4.010 20 30 DIEDHN COc1cc(CNC2(c3cccc(C)c3)CCCC2)ccc1C#N ZINC000440807854 338398016 /nfs/dbraw/zinc/39/80/16/338398016.db2.gz PDKAWGNKJRWEDG-UHFFFAOYSA-N 0 3 320.436 4.434 20 30 DIEDHN C[C@@H](NCCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1F ZINC000442806388 338432704 /nfs/dbraw/zinc/43/27/04/338432704.db2.gz BNUXDPSSLKBCGR-CYBMUJFWSA-N 0 3 307.372 4.072 20 30 DIEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000442854180 338434984 /nfs/dbraw/zinc/43/49/84/338434984.db2.gz AAVUGPRVBONYSQ-DOMZBBRYSA-N 0 3 319.246 4.110 20 30 DIEDHN CC[C@H](NCCCC#N)c1ccc(Br)cc1Cl ZINC000446884530 338539511 /nfs/dbraw/zinc/53/95/11/338539511.db2.gz PXPZMHOZQKFOLL-ZDUSSCGKSA-N 0 3 315.642 4.447 20 30 DIEDHN CC[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447543603 338555683 /nfs/dbraw/zinc/55/56/83/338555683.db2.gz SFMKXABMOQMLEQ-ZYSHUDEJSA-N 0 3 300.446 4.194 20 30 DIEDHN CC[C@H](N[C@@H]1CCc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000447573139 338557923 /nfs/dbraw/zinc/55/79/23/338557923.db2.gz GCSXSJWVMQZVPK-RBUKOAKNSA-N 0 3 306.409 4.295 20 30 DIEDHN CC(C)COC[C@H](NC1CCC(C)(C#N)CC1)c1ccco1 ZINC000449104794 338593951 /nfs/dbraw/zinc/59/39/51/338593951.db2.gz BKMZTBKJUFMTCI-PQUAAJSLSA-N 0 3 304.434 4.055 20 30 DIEDHN CC1(C#N)CCC(N[C@H](c2ccccc2)c2cccnc2)CC1 ZINC000449122417 338595281 /nfs/dbraw/zinc/59/52/81/338595281.db2.gz LHFYLYWFKKNLPU-IOJLRTSASA-N 0 3 305.425 4.233 20 30 DIEDHN C=CCCCC[C@@H](C)N[C@H](c1nnc2ccccn21)C(C)C ZINC000449224107 338603883 /nfs/dbraw/zinc/60/38/83/338603883.db2.gz ZSXIRLAVYWMDDH-WBVHZDCISA-N 0 3 300.450 4.151 20 30 DIEDHN CSCC1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000449239833 338605666 /nfs/dbraw/zinc/60/56/66/338605666.db2.gz LHGMGVSBQRCOFE-OPFPJEHXSA-N 0 3 306.450 4.270 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)o1 ZINC000449773437 338651692 /nfs/dbraw/zinc/65/16/92/338651692.db2.gz NDDSRNWQLJYPSJ-DZGCQCFKSA-N 0 3 300.789 4.231 20 30 DIEDHN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867945 338746663 /nfs/dbraw/zinc/74/66/63/338746663.db2.gz LHUKEVVQHYFXTK-BEFAXECRSA-N 0 3 305.425 4.180 20 30 DIEDHN N#CCCCN[C@H]1CCCCc2ccc(Br)cc21 ZINC000453189187 338804954 /nfs/dbraw/zinc/80/49/54/338804954.db2.gz CKPQCGDFFYCBGS-HNNXBMFYSA-N 0 3 307.235 4.110 20 30 DIEDHN Cc1cc([C@@H](N[C@H]2CC[C@@H](CC#N)C2)c2cccnc2)ccc1F ZINC000453296102 338820393 /nfs/dbraw/zinc/82/03/93/338820393.db2.gz TZEKXCCACSELFZ-ZAAXVRCTSA-N 0 3 323.415 4.291 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000453350672 338829450 /nfs/dbraw/zinc/82/94/50/338829450.db2.gz LWEQBQFTAKTQCY-LXZKKBNFSA-N 0 3 314.454 4.194 20 30 DIEDHN C=CC[C@H](C(=O)Nc1ccc(CN(C)C)c(C)c1)c1ccccc1 ZINC000458256161 338993580 /nfs/dbraw/zinc/99/35/80/338993580.db2.gz CARFVGUCFHBWOJ-FQEVSTJZSA-N 0 3 322.452 4.355 20 30 DIEDHN C[C@H](CCCc1cccnc1)NCc1ccc(Cl)cc1C#N ZINC000459630163 339039155 /nfs/dbraw/zinc/03/91/55/339039155.db2.gz AFAUZUMZEUJNIY-CQSZACIVSA-N 0 3 313.832 4.108 20 30 DIEDHN C/C(=C\c1ccccc1OC(F)F)CNCC(C)(C)CC#N ZINC000459725576 339044499 /nfs/dbraw/zinc/04/44/99/339044499.db2.gz DATIPHHAVZOWAV-JLHYYAGUSA-N 0 3 308.372 4.221 20 30 DIEDHN C[C@@H](CNc1c(Cl)cccc1C#N)N(C)Cc1ccccc1 ZINC000462838206 339093645 /nfs/dbraw/zinc/09/36/45/339093645.db2.gz JIHUUHQFZVHYFS-AWEZNQCLSA-N 0 3 313.832 4.144 20 30 DIEDHN CN(C)[C@@H](CNc1c(Cl)cccc1C#N)c1cccc(F)c1 ZINC000462917245 339097995 /nfs/dbraw/zinc/09/79/95/339097995.db2.gz PUKZPBHXVOCCBH-INIZCTEOSA-N 0 3 317.795 4.066 20 30 DIEDHN CN(C)[C@H](CNc1c(Cl)cccc1C#N)c1cccc(F)c1 ZINC000462917246 339098052 /nfs/dbraw/zinc/09/80/52/339098052.db2.gz PUKZPBHXVOCCBH-MRXNPFEDSA-N 0 3 317.795 4.066 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292609 339113885 /nfs/dbraw/zinc/11/38/85/339113885.db2.gz WPNWUDKJRQVLLF-VQTJNVASSA-N 0 3 320.436 4.438 20 30 DIEDHN CC(C)CCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000463295957 339113978 /nfs/dbraw/zinc/11/39/78/339113978.db2.gz QPHUJVNPRFVGFB-FUHWJXTLSA-N 0 3 300.446 4.283 20 30 DIEDHN CCc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464403430 339141492 /nfs/dbraw/zinc/14/14/92/339141492.db2.gz UOAHGMCWITZDMM-CQSZACIVSA-N 0 3 318.298 4.153 20 30 DIEDHN N#Cc1cccc(CCNCc2csc(-c3ccccc3)n2)c1 ZINC000466423006 339204127 /nfs/dbraw/zinc/20/41/27/339204127.db2.gz PEURACMAWPSZFV-UHFFFAOYSA-N 0 3 319.433 4.014 20 30 DIEDHN C[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191913 339227698 /nfs/dbraw/zinc/22/76/98/339227698.db2.gz RMZIJBZTJIMRMS-ZBFHGGJFSA-N 0 3 316.420 4.230 20 30 DIEDHN C=CCCN(C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000467384542 339235890 /nfs/dbraw/zinc/23/58/90/339235890.db2.gz JJCJCBZLBRYCEH-UHFFFAOYSA-N 0 3 309.457 4.233 20 30 DIEDHN COc1ccc(Cl)cc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000467436238 339238454 /nfs/dbraw/zinc/23/84/54/339238454.db2.gz AYJBBELDJCCLLG-CYBMUJFWSA-N 0 3 314.816 4.114 20 30 DIEDHN CN(Cc1ccc(F)c(C#N)c1)Cc1cccc2ccccc21 ZINC000468263799 339258140 /nfs/dbraw/zinc/25/81/40/339258140.db2.gz BKVNLYHMRBERLD-UHFFFAOYSA-N 0 3 304.368 4.483 20 30 DIEDHN C=C(CNC/C(C)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000468633755 339267575 /nfs/dbraw/zinc/26/75/75/339267575.db2.gz VZVSXMKYCQNBNE-PTNGSMBKSA-N 0 3 308.381 4.301 20 30 DIEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(C#N)c1 ZINC000470180589 339313215 /nfs/dbraw/zinc/31/32/15/339313215.db2.gz PREZNIZURMNLQB-OQLLNIDSSA-N 0 3 321.380 4.002 20 30 DIEDHN C=CCOCCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000470727537 339326324 /nfs/dbraw/zinc/32/63/24/339326324.db2.gz VCPGZAQIBKZHGS-INIZCTEOSA-N 0 3 324.262 4.179 20 30 DIEDHN COCCCC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000471003479 339334258 /nfs/dbraw/zinc/33/42/58/339334258.db2.gz DYDKLKPSCVTOQH-NRFANRHFSA-N 0 3 307.437 4.186 20 30 DIEDHN Cc1ccc(Cl)cc1N1CCN(CCCC(C)(C)C#N)CC1 ZINC000471706794 339351677 /nfs/dbraw/zinc/35/16/77/339351677.db2.gz SJNAXLRWZYMFLQ-UHFFFAOYSA-N 0 3 319.880 4.100 20 30 DIEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473520437 339386748 /nfs/dbraw/zinc/38/67/48/339386748.db2.gz PIDCHNXQINJMQU-SWLSCSKDSA-N 0 3 324.346 4.309 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565714 339455570 /nfs/dbraw/zinc/45/55/70/339455570.db2.gz MFRSXYZBBPHOEY-MAUKXSAKSA-N 0 3 312.363 4.262 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cc2cccc(F)c2o1 ZINC000475722668 339460312 /nfs/dbraw/zinc/46/03/12/339460312.db2.gz SEYJZEDWZOQVSI-ZDUSSCGKSA-N 0 3 308.356 4.489 20 30 DIEDHN CC(C)=CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000480287611 339567288 /nfs/dbraw/zinc/56/72/88/339567288.db2.gz XJBRNZATZQZLHL-UHFFFAOYSA-N 0 3 306.409 4.193 20 30 DIEDHN C=C(C)[C@@H](NCCc1csc(C)n1)c1ccc(F)c(F)c1 ZINC000481618654 339607753 /nfs/dbraw/zinc/60/77/53/339607753.db2.gz GCVCZMVQGJYQFE-MRXNPFEDSA-N 0 3 308.397 4.179 20 30 DIEDHN Cc1cccc([C@@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000481777646 339613942 /nfs/dbraw/zinc/61/39/42/339613942.db2.gz JYIMLGLPJKXWCD-QGZVFWFLSA-N 0 3 320.436 4.471 20 30 DIEDHN CC#CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482154852 339624899 /nfs/dbraw/zinc/62/48/99/339624899.db2.gz FLKOQVSDUKNDMH-UHFFFAOYSA-N 0 3 318.760 4.011 20 30 DIEDHN C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000495066903 339972373 /nfs/dbraw/zinc/97/23/73/339972373.db2.gz NMPDRZGRYLFTMI-DNVCBOLYSA-N 0 3 315.844 4.204 20 30 DIEDHN Cc1cccc([C@@H]2CCCN2CCOc2ccccc2C#N)c1 ZINC000498794516 340023255 /nfs/dbraw/zinc/02/32/55/340023255.db2.gz YHXHXZZICFWNDI-IBGZPJMESA-N 0 3 306.409 4.083 20 30 DIEDHN N#Cc1ccc(C2=CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000502504995 340106251 /nfs/dbraw/zinc/10/62/51/340106251.db2.gz AFQFFHVKPRCTOO-QPJJXVBHSA-N 0 3 300.405 4.361 20 30 DIEDHN N#Cc1ccc(C2=CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000502504994 340106303 /nfs/dbraw/zinc/10/63/03/340106303.db2.gz AFQFFHVKPRCTOO-DAXSKMNVSA-N 0 3 300.405 4.361 20 30 DIEDHN C[C@H](NCCc1cccc2[nH]ccc21)c1ccc(C#N)cc1F ZINC000503932468 340137363 /nfs/dbraw/zinc/13/73/63/340137363.db2.gz YXSVMTJKWWPUER-ZDUSSCGKSA-N 0 3 307.372 4.072 20 30 DIEDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cccc(C#N)c1 ZINC000479447556 340151745 /nfs/dbraw/zinc/15/17/45/340151745.db2.gz DEXCCQHMWJZVAT-OAHLLOKOSA-N 0 3 303.409 4.209 20 30 DIEDHN C=CCOc1ccc(CN(Cc2ccccn2)C(C)(C)C)cc1 ZINC000506045949 340184257 /nfs/dbraw/zinc/18/42/57/340184257.db2.gz OCKBFRVDWOUSKY-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN CC1(C#N)CCN(CCCOc2cccc3ccccc32)CC1 ZINC000506056318 340184505 /nfs/dbraw/zinc/18/45/05/340184505.db2.gz LLQOCWJXDUWJBD-UHFFFAOYSA-N 0 3 308.425 4.234 20 30 DIEDHN N#Cc1ccc(CN(Cc2coc3ccccc23)C2CC2)cc1 ZINC000506557681 340196795 /nfs/dbraw/zinc/19/67/95/340196795.db2.gz YAAVHLMQTPZHCV-UHFFFAOYSA-N 0 3 302.377 4.469 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000506609148 340197488 /nfs/dbraw/zinc/19/74/88/340197488.db2.gz BKRYYPQNASHLSK-CQSZACIVSA-N 0 3 312.369 4.010 20 30 DIEDHN C=CCc1cc(CN(C)[C@H]2CCc3ccccc32)cc(OC)c1O ZINC000506690452 340199710 /nfs/dbraw/zinc/19/97/10/340199710.db2.gz RMEZIDIOHMJQGG-IBGZPJMESA-N 0 3 323.436 4.249 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1 ZINC000507152357 340209803 /nfs/dbraw/zinc/20/98/03/340209803.db2.gz SDPGKOCXUIUQEH-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1)CC1=Cc2ccccc2OC1 ZINC000507173163 340211175 /nfs/dbraw/zinc/21/11/75/340211175.db2.gz KXEPBQBNEHRHMA-UHFFFAOYSA-N 0 3 318.420 4.245 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccccc1-c1ccnn1C ZINC000507374844 340218314 /nfs/dbraw/zinc/21/83/14/340218314.db2.gz ZXXSGDOZZOUGSY-UHFFFAOYSA-N 0 3 317.436 4.275 20 30 DIEDHN CCN(CCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000507699625 340228688 /nfs/dbraw/zinc/22/86/88/340228688.db2.gz DDMYCDNMEUUWRX-INIZCTEOSA-N 0 3 324.424 4.029 20 30 DIEDHN COCCN(C/C(C)=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC000508566327 340246710 /nfs/dbraw/zinc/24/67/10/340246710.db2.gz FIXZMGRJKBLDOY-JXAWBTAJSA-N 0 3 320.436 4.110 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000508661945 340249939 /nfs/dbraw/zinc/24/99/39/340249939.db2.gz LMPULYXNMRCEPP-UHFFFAOYSA-N 0 3 307.441 4.036 20 30 DIEDHN C=CCN(CC)[C@H]1CCSc2ccc(Br)cc21 ZINC000509071735 340260381 /nfs/dbraw/zinc/26/03/81/340260381.db2.gz QQMROGHENAXXKK-ZDUSSCGKSA-N 0 3 312.276 4.494 20 30 DIEDHN N#CCSCCCN(Cc1ccccc1Cl)CC1CC1 ZINC000510207219 340292519 /nfs/dbraw/zinc/29/25/19/340292519.db2.gz DCDINPXVOXYDAR-UHFFFAOYSA-N 0 3 308.878 4.199 20 30 DIEDHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CCC(C)(C)C#N ZINC000510240416 340293756 /nfs/dbraw/zinc/29/37/56/340293756.db2.gz JNEVNRBKPIWHSM-NVXWUHKLSA-N 0 3 300.446 4.408 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)C(C)(C)CC ZINC000510250500 340294021 /nfs/dbraw/zinc/29/40/21/340294021.db2.gz RBCHSCFCIUTRDF-UHFFFAOYSA-N 0 3 306.475 4.024 20 30 DIEDHN CCCc1ccc([C@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510360524 340296915 /nfs/dbraw/zinc/29/69/15/340296915.db2.gz HGKULQNVZGUZRY-GUYCJALGSA-N 0 3 312.438 4.066 20 30 DIEDHN CC(C)c1ccc([C@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510384258 340297448 /nfs/dbraw/zinc/29/74/48/340297448.db2.gz JYDVLRBGRGNIEF-DYVFJYSZSA-N 0 3 312.438 4.237 20 30 DIEDHN CCC(C)(C)c1ccc(CN2CCC(C#N)(COC)CC2)cc1 ZINC000510613486 340303915 /nfs/dbraw/zinc/30/39/15/340303915.db2.gz HHAQZESPFPOZEC-UHFFFAOYSA-N 0 3 314.473 4.126 20 30 DIEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cc1F)c1ccsc1 ZINC000303160818 340307591 /nfs/dbraw/zinc/30/75/91/340307591.db2.gz TWXWMCYTZQEVDZ-KRWDZBQOSA-N 0 3 317.433 4.254 20 30 DIEDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000511037009 340318891 /nfs/dbraw/zinc/31/88/91/340318891.db2.gz WKSTVEAEBHXBDG-KPZWWZAWSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000511037014 340318928 /nfs/dbraw/zinc/31/89/28/340318928.db2.gz WKSTVEAEBHXBDG-SGTLLEGYSA-N 0 3 310.372 4.044 20 30 DIEDHN CCC(CC)[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279830 340355303 /nfs/dbraw/zinc/35/53/03/340355303.db2.gz NHZXMUJEVNKPDE-CRFBAAHOSA-N 0 3 318.436 4.332 20 30 DIEDHN C[C@H](NCCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512293976 340355962 /nfs/dbraw/zinc/35/59/62/340355962.db2.gz HFRRPLFENRKULP-JTQLQIEISA-N 0 3 322.305 4.008 20 30 DIEDHN C=C(C)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512409493 340360904 /nfs/dbraw/zinc/36/09/04/340360904.db2.gz NSPNZVJUDAKRLM-UHFFFAOYSA-N 0 3 316.332 4.192 20 30 DIEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)c1F ZINC000512434199 340361703 /nfs/dbraw/zinc/36/17/03/340361703.db2.gz VDPBGIRJQWOAMB-GUYCJALGSA-N 0 3 312.363 4.214 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000512560816 340366940 /nfs/dbraw/zinc/36/69/40/340366940.db2.gz GYMFOMOYIISIMV-UHFFFAOYSA-N 0 3 305.780 4.334 20 30 DIEDHN N#Cc1ccc(CNCCn2ccc3cc(Cl)ccc32)s1 ZINC000512564267 340367097 /nfs/dbraw/zinc/36/70/97/340367097.db2.gz JZAOWXWGTXUXMD-UHFFFAOYSA-N 0 3 315.829 4.018 20 30 DIEDHN COc1ccc(CC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000512610351 340368862 /nfs/dbraw/zinc/36/88/62/340368862.db2.gz ZWECPQOPRXUJQR-UHFFFAOYSA-N 0 3 320.436 4.022 20 30 DIEDHN CCO[C@H](CCN[C@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611795 340368982 /nfs/dbraw/zinc/36/89/82/340368982.db2.gz MNRDWWPPRMROSO-AUUYWEPGSA-N 0 3 318.436 4.333 20 30 DIEDHN Cc1cccc2[nH]cc(CCN[C@H](C)c3ccc(C#N)cc3F)c21 ZINC000512626348 340369658 /nfs/dbraw/zinc/36/96/58/340369658.db2.gz TXMPIKJMJKEWDT-CQSZACIVSA-N 0 3 321.399 4.380 20 30 DIEDHN COc1ccccc1C1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512626556 340369686 /nfs/dbraw/zinc/36/96/86/340369686.db2.gz VIETXFVKWQLRLC-AWEZNQCLSA-N 0 3 324.399 4.088 20 30 DIEDHN C[C@@H](NCCOc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512636681 340370301 /nfs/dbraw/zinc/37/03/01/340370301.db2.gz NFLDMWFZPLIORN-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN C[C@H](NCCc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512636917 340370318 /nfs/dbraw/zinc/37/03/18/340370318.db2.gz PUAQAOBZWHCQAS-AWEZNQCLSA-N 0 3 319.383 4.139 20 30 DIEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000512641558 340370571 /nfs/dbraw/zinc/37/05/71/340370571.db2.gz IFODSEYQAWUUQB-STQMWFEESA-N 0 3 302.418 4.288 20 30 DIEDHN C[C@H](NCC(C)(C)c1cccs1)c1ccc(C#N)cc1F ZINC000512642169 340370610 /nfs/dbraw/zinc/37/06/10/340370610.db2.gz MUMXHKDTKLPJJW-LBPRGKRZSA-N 0 3 302.418 4.387 20 30 DIEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642068 340370612 /nfs/dbraw/zinc/37/06/12/340370612.db2.gz MGTKCMUFRDRLOT-DOPJRALCSA-N 0 3 316.420 4.086 20 30 DIEDHN Cc1cccc(OC[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642913 340370651 /nfs/dbraw/zinc/37/06/51/340370651.db2.gz UFOYFIHDZBHQHI-HUUCEWRRSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000512646955 340370826 /nfs/dbraw/zinc/37/08/26/340370826.db2.gz FQCWNEKQIIOFAC-YGGLWSGOSA-N 0 3 324.399 4.301 20 30 DIEDHN C[C@H](NCCOc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512649531 340370912 /nfs/dbraw/zinc/37/09/12/340370912.db2.gz SMBDMHDFIVVSNL-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN C[C@@H](NCCc1ccc(Cl)s1)c1ccc(C#N)cc1F ZINC000512649403 340370975 /nfs/dbraw/zinc/37/09/75/340370975.db2.gz RWGNEXDJFTYUIF-SNVBAGLBSA-N 0 3 308.809 4.306 20 30 DIEDHN C[C@H](NCCc1ccc(Cl)s1)c1ccc(C#N)cc1F ZINC000512649401 340371023 /nfs/dbraw/zinc/37/10/23/340371023.db2.gz RWGNEXDJFTYUIF-JTQLQIEISA-N 0 3 308.809 4.306 20 30 DIEDHN C[C@@H](NCCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512668574 340372270 /nfs/dbraw/zinc/37/22/70/340372270.db2.gz VUCCQQSFOZCVRI-CQSZACIVSA-N 0 3 321.399 4.462 20 30 DIEDHN Fc1ccc(CNCC2(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000512863956 340381455 /nfs/dbraw/zinc/38/14/55/340381455.db2.gz HYBGJQFYAIBDBH-UHFFFAOYSA-N 0 3 315.232 4.277 20 30 DIEDHN Fc1ccc(C(F)(F)F)cc1CNCC1(C(F)(F)F)CC1 ZINC000512913153 340383838 /nfs/dbraw/zinc/38/38/38/340383838.db2.gz MIJUIDFTHWRAOC-UHFFFAOYSA-N 0 3 315.232 4.277 20 30 DIEDHN N#Cc1csc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000520898928 340476886 /nfs/dbraw/zinc/47/68/86/340476886.db2.gz IRZVXIUCDFJSSE-CQSZACIVSA-N 0 3 324.371 4.131 20 30 DIEDHN Cc1ccc([C@@H](CNc2ccc(Cl)cc2C#N)N(C)C)cc1 ZINC000303206843 340633746 /nfs/dbraw/zinc/63/37/46/340633746.db2.gz NLHCPKOCEUPIFV-GOSISDBHSA-N 0 3 313.832 4.235 20 30 DIEDHN C=CC[C@H](C)N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935841 340644363 /nfs/dbraw/zinc/64/43/63/340644363.db2.gz KNAUPPQJEJAYNR-KSSFIOAISA-N 0 3 312.388 4.060 20 30 DIEDHN COc1cc(CN[C@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000234950243 340655375 /nfs/dbraw/zinc/65/53/75/340655375.db2.gz DBAHBLZCOFRQGB-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(Cl)cc1Cl ZINC000538198292 340812998 /nfs/dbraw/zinc/81/29/98/340812998.db2.gz QHLYSIILIBZUOB-ABAIWWIYSA-N 0 3 302.245 4.219 20 30 DIEDHN C=CCCC[C@H](C)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407667 340821569 /nfs/dbraw/zinc/82/15/69/340821569.db2.gz IZBGYLRUWNLSBI-UONOGXRCSA-N 0 3 316.424 4.110 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000539091229 340872527 /nfs/dbraw/zinc/87/25/27/340872527.db2.gz UGVUDQDMKMKTTM-JKSUJKDBSA-N 0 3 309.457 4.051 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CC)C(C)(C)C ZINC000539493920 340887114 /nfs/dbraw/zinc/88/71/14/340887114.db2.gz SBMHGAJCUOHEEL-MRXNPFEDSA-N 0 3 320.502 4.318 20 30 DIEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000539496019 340887325 /nfs/dbraw/zinc/88/73/25/340887325.db2.gz HYFCCNUQYSKCKQ-ZIAGYGMSSA-N 0 3 314.816 4.330 20 30 DIEDHN C=C(C)COCCN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000539507257 340888342 /nfs/dbraw/zinc/88/83/42/340888342.db2.gz GQSJERIZWQILKH-AWEZNQCLSA-N 0 3 303.402 4.075 20 30 DIEDHN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(CC#N)cc1)[C@@H]2C ZINC000542256932 341002226 /nfs/dbraw/zinc/00/22/26/341002226.db2.gz CIVFASBJLUPBMR-JKSUJKDBSA-N 0 3 320.436 4.269 20 30 DIEDHN Clc1ccccc1C#CCN[C@H](c1cccs1)C1CC1 ZINC000542512180 341011265 /nfs/dbraw/zinc/01/12/65/341011265.db2.gz NUJGSUAZJMGVNB-KRWDZBQOSA-N 0 3 301.842 4.494 20 30 DIEDHN COc1ccccc1/C=C/CN[C@@H](CCC#N)c1ccccc1 ZINC000130477832 341022584 /nfs/dbraw/zinc/02/25/84/341022584.db2.gz JERGZFFPINYQMZ-BEBFYNPSSA-N 0 3 306.409 4.343 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000543182587 341035729 /nfs/dbraw/zinc/03/57/29/341035729.db2.gz VHRLXMGDJUCMFC-ZDUSSCGKSA-N 0 3 316.351 4.205 20 30 DIEDHN N#CCc1ccc(CN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000543206534 341036691 /nfs/dbraw/zinc/03/66/91/341036691.db2.gz VKSKZXYCMFSNGM-UHFFFAOYSA-N 0 3 308.400 4.304 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000544116039 341070888 /nfs/dbraw/zinc/07/08/88/341070888.db2.gz CMDRAWMQOPQSCC-FQEVSTJZSA-N 0 3 306.409 4.002 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000544119932 341070932 /nfs/dbraw/zinc/07/09/32/341070932.db2.gz GEMROVPXVKYIBT-CYBMUJFWSA-N 0 3 316.351 4.205 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000544119933 341071006 /nfs/dbraw/zinc/07/10/06/341071006.db2.gz GEMROVPXVKYIBT-ZDUSSCGKSA-N 0 3 316.351 4.205 20 30 DIEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000132964676 341150726 /nfs/dbraw/zinc/15/07/26/341150726.db2.gz CHXOKCRDLFEUND-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN N#Cc1ccc(CNCCC(c2ccccc2)c2ccccc2)o1 ZINC000237841863 341221706 /nfs/dbraw/zinc/22/17/06/341221706.db2.gz GLXMMFDMIFWPOK-UHFFFAOYSA-N 0 3 316.404 4.463 20 30 DIEDHN C=CC[C@H](C)NCc1cc(Br)ccc1OC(F)F ZINC000134749998 341223284 /nfs/dbraw/zinc/22/32/84/341223284.db2.gz MDMDPEFBBXAZHC-VIFPVBQESA-N 0 3 320.177 4.105 20 30 DIEDHN Cc1[nH]c2ccccc2c1C1=CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549527943 341296377 /nfs/dbraw/zinc/29/63/77/341296377.db2.gz YNHKDIPNYYDUKC-WBVHZDCISA-N 0 3 305.425 4.258 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000549673728 341300249 /nfs/dbraw/zinc/30/02/49/341300249.db2.gz XDILKEVPNVFVRF-XJKSGUPXSA-N 0 3 306.812 4.293 20 30 DIEDHN COc1cc(CNCc2cc3ccccc3s2)ccc1C#N ZINC000550225405 341312801 /nfs/dbraw/zinc/31/28/01/341312801.db2.gz GGECVOLSIUJWLN-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN CCOC1(CN[C@H](C)c2ccc(C#N)cc2Cl)CCCC1 ZINC000550885512 341325484 /nfs/dbraw/zinc/32/54/84/341325484.db2.gz ICMMTYHNKAQIFG-CYBMUJFWSA-N 0 3 306.837 4.212 20 30 DIEDHN N#Cc1csc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000551569683 341345946 /nfs/dbraw/zinc/34/59/46/341345946.db2.gz LVQVGEUBVOJVPC-UHFFFAOYSA-N 0 3 312.438 4.231 20 30 DIEDHN N#CC1(CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823459 341353186 /nfs/dbraw/zinc/35/31/86/341353186.db2.gz GWFIKFDTKRNENN-GJZGRUSLSA-N 0 3 308.347 4.235 20 30 DIEDHN N#Cc1cccc(COc2cccc(CN3C4CCC3CC4)c2)c1 ZINC000551930985 341355348 /nfs/dbraw/zinc/35/53/48/341355348.db2.gz VPLSESMCBFHXPM-UHFFFAOYSA-N 0 3 318.420 4.264 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2)cc1 ZINC000552085554 341368254 /nfs/dbraw/zinc/36/82/54/341368254.db2.gz BTIRIZHCOQFCGP-OXJNMPFZSA-N 0 3 311.425 4.117 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2)cc1 ZINC000552085555 341368265 /nfs/dbraw/zinc/36/82/65/341368265.db2.gz BTIRIZHCOQFCGP-OXQOHEQNSA-N 0 3 311.425 4.117 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NC[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087018 341368659 /nfs/dbraw/zinc/36/86/59/341368659.db2.gz YHKIQHGSXANDBF-OLMNPRSZSA-N 0 3 318.848 4.090 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000248823588 341387746 /nfs/dbraw/zinc/38/77/46/341387746.db2.gz FQYGPOOXMQHLMM-SCRDCRAPSA-N 0 3 312.335 4.318 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000248823586 341387795 /nfs/dbraw/zinc/38/77/95/341387795.db2.gz FQYGPOOXMQHLMM-OUCADQQQSA-N 0 3 312.335 4.318 20 30 DIEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1OC(F)F ZINC000248827261 341387845 /nfs/dbraw/zinc/38/78/45/341387845.db2.gz MCPNROYXYSMZPE-IPYPFGDCSA-N 0 3 308.372 4.411 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3Br)C1 ZINC000248925516 341390168 /nfs/dbraw/zinc/39/01/68/341390168.db2.gz XCETVUFJZFSCOR-BFQNTYOBSA-N 0 3 319.246 4.108 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994709 341391526 /nfs/dbraw/zinc/39/15/26/341391526.db2.gz ONUBLTSBJQUGHP-IOASZLSFSA-N 0 3 304.821 4.226 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059179 341392859 /nfs/dbraw/zinc/39/28/59/341392859.db2.gz ZLNCFWJXJNXBPD-INWMFGNUSA-N 0 3 304.821 4.226 20 30 DIEDHN C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000552922688 341408821 /nfs/dbraw/zinc/40/88/21/341408821.db2.gz OMVRFAVOLNEDJY-OREJSRFESA-N 0 3 302.421 4.459 20 30 DIEDHN N#Cc1cccc(CNCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000091068121 341421801 /nfs/dbraw/zinc/42/18/01/341421801.db2.gz GECSDKIPFGTDKY-UHFFFAOYSA-N 0 3 323.399 4.387 20 30 DIEDHN C=CCCC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000553650233 341433199 /nfs/dbraw/zinc/43/31/99/341433199.db2.gz QBWJRYDWWOUPGW-KRWDZBQOSA-N 0 3 314.473 4.147 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(CC#N)cc1 ZINC000566068067 341546953 /nfs/dbraw/zinc/54/69/53/341546953.db2.gz QMRSLZUKQOOJEC-XOBRGWDASA-N 0 3 308.400 4.305 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000268797159 341604087 /nfs/dbraw/zinc/60/40/87/341604087.db2.gz IUQOVMPNVSXLQT-HUUCEWRRSA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000268797154 341604109 /nfs/dbraw/zinc/60/41/09/341604109.db2.gz IUQOVMPNVSXLQT-CABCVRRESA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@H](NCCc1ccc(F)cc1F)c1ccc(C#N)cc1Cl ZINC000568830167 341682928 /nfs/dbraw/zinc/68/29/28/341682928.db2.gz WERRPJFNGQZFTQ-NSHDSACASA-N 0 3 320.770 4.383 20 30 DIEDHN CC(C)(CCC#N)CN1CCC(c2cccc(F)c2F)CC1 ZINC000574100873 341748669 /nfs/dbraw/zinc/74/86/69/341748669.db2.gz PKGIOOMEOPMQRQ-UHFFFAOYSA-N 0 3 306.400 4.474 20 30 DIEDHN N#CCc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000577372656 341906436 /nfs/dbraw/zinc/90/64/36/341906436.db2.gz JVNWZDNROGMBOR-QGZVFWFLSA-N 0 3 312.413 4.218 20 30 DIEDHN C[C@@H](NCc1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374695671 518178284 /nfs/dbraw/zinc/17/82/84/518178284.db2.gz UMPXLDGHWYLQQT-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181426658 519520483 /nfs/dbraw/zinc/52/04/83/519520483.db2.gz GZMZCBIVYGPHSP-HNNXBMFYSA-N 0 3 321.424 4.004 20 30 DIEDHN CC(C)C(=O)Nc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181426670 519520922 /nfs/dbraw/zinc/52/09/22/519520922.db2.gz GZMZCBIVYGPHSP-OAHLLOKOSA-N 0 3 321.424 4.004 20 30 DIEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(C)(C)CC1 ZINC000127673382 523607588 /nfs/dbraw/zinc/60/75/88/523607588.db2.gz GTGICHDOBFLBNA-UHFFFAOYSA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072113 525543639 /nfs/dbraw/zinc/54/36/39/525543639.db2.gz OUOUPSYHTCCGDA-MDKPJZGXSA-N 0 3 320.436 4.377 20 30 DIEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000289367389 537022276 /nfs/dbraw/zinc/02/22/76/537022276.db2.gz ZWXOPDLHQHUKFM-SJCJKPOMSA-N 0 3 310.372 4.044 20 30 DIEDHN C=CCC[C@@H](NC[C@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816121 1035682246 /nfs/dbraw/zinc/68/22/46/1035682246.db2.gz HWLKUKCXGBBNBJ-CVEARBPZSA-N 0 3 305.805 4.264 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@H]2c2cc(F)ccc2F)cc1 ZINC001208926239 1035947844 /nfs/dbraw/zinc/94/78/44/1035947844.db2.gz LZRQMFNHGVDFAP-IBGZPJMESA-N 0 3 312.363 4.216 20 30 DIEDHN Cc1ccc(C)n1C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001167283643 1036402623 /nfs/dbraw/zinc/40/26/23/1036402623.db2.gz KBOVQOLUSGNSGH-UHFFFAOYSA-N 0 3 307.441 4.122 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1coc2ccccc12 ZINC000340426177 1036592384 /nfs/dbraw/zinc/59/23/84/1036592384.db2.gz MJSDWVJACAXUCT-LJQANCHMSA-N 0 3 302.377 4.472 20 30 DIEDHN COc1ccc2cc(CNCc3cc(C#N)cs3)ccc2c1 ZINC000177682671 1036853503 /nfs/dbraw/zinc/85/35/03/1036853503.db2.gz WAGWWEJOBKAMCM-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN N#Cc1csc(CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000177696236 1036908547 /nfs/dbraw/zinc/90/85/47/1036908547.db2.gz MDCINLHURIVSGC-KRWDZBQOSA-N 0 3 300.402 4.390 20 30 DIEDHN C=CCCCCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000683783326 1036908761 /nfs/dbraw/zinc/90/87/61/1036908761.db2.gz UPIMZSFUKRMGAI-QWRGUYRKSA-N 0 3 303.290 4.405 20 30 DIEDHN COc1cc(C#N)ccc1CN(C)[C@H](c1ccccc1)C(C)C ZINC001167371276 1037012910 /nfs/dbraw/zinc/01/29/10/1037012910.db2.gz BHHKRFKIHOZTKW-FQEVSTJZSA-N 0 3 308.425 4.396 20 30 DIEDHN COc1ccc(C[C@H]2CCCN(Cc3ccccc3C#N)C2)cc1 ZINC000579539366 1037052782 /nfs/dbraw/zinc/05/27/82/1037052782.db2.gz KGGMYSDEWXVEKR-GOSISDBHSA-N 0 3 320.436 4.022 20 30 DIEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CCCCC2)cc1 ZINC001203155709 1037256640 /nfs/dbraw/zinc/25/66/40/1037256640.db2.gz FAFVLHQRPRWVOH-INIZCTEOSA-N 0 3 300.446 4.080 20 30 DIEDHN N#CCC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000255912611 1037378391 /nfs/dbraw/zinc/37/83/91/1037378391.db2.gz XQLSMDXJZXLZGU-VTSXBNNFSA-N 0 3 321.380 4.243 20 30 DIEDHN CCCN(Cc1cccc(C#N)c1F)[C@H]1C[C@H](OCC)C1(C)C ZINC001167443262 1037414796 /nfs/dbraw/zinc/41/47/96/1037414796.db2.gz QYNHGZAOJJXBMP-IRXDYDNUSA-N 0 3 318.436 4.113 20 30 DIEDHN CC(C)(C)Oc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000610488632 1037492719 /nfs/dbraw/zinc/49/27/19/1037492719.db2.gz VKLMBZONTUYYNU-UHFFFAOYSA-N 0 3 300.427 4.087 20 30 DIEDHN C=CC[C@H](Cc1ccccc1)n1cc(CNC2CCCCC2)nn1 ZINC000656458147 1037511358 /nfs/dbraw/zinc/51/13/58/1037511358.db2.gz YIYGQDVXUKMMFR-HXUWFJFHSA-N 0 3 324.472 4.060 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000127316649 1038013487 /nfs/dbraw/zinc/01/34/87/1038013487.db2.gz VIWUFWDNMHNRIV-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@H](CCC#N)CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000602456673 1038014229 /nfs/dbraw/zinc/01/42/29/1038014229.db2.gz CEJBLKLONOLORV-NVXWUHKLSA-N 0 3 324.428 4.203 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000060832858 1038052060 /nfs/dbraw/zinc/05/20/60/1038052060.db2.gz XAJSVJNALITDAS-UHFFFAOYSA-N 0 3 319.351 4.143 20 30 DIEDHN N#CCC1(CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000602787068 1038089350 /nfs/dbraw/zinc/08/93/50/1038089350.db2.gz ZWNKAAQVPGPDQC-AWEZNQCLSA-N 0 3 311.454 4.170 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC(Cc3ccsc3)C2)cc1 ZINC000598678481 1038150665 /nfs/dbraw/zinc/15/06/65/1038150665.db2.gz QDXWLJUFIMNAHY-UHFFFAOYSA-N 0 3 310.466 4.224 20 30 DIEDHN COc1cc(CNC2(c3ccccc3C)CCC2)ccc1C#N ZINC000593642461 1038190941 /nfs/dbraw/zinc/19/09/41/1038190941.db2.gz KVRXTLQQFNLBAI-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)s1 ZINC000562949093 1038219421 /nfs/dbraw/zinc/21/94/21/1038219421.db2.gz AZIUHHXGAOWORA-MRXNPFEDSA-N 0 3 302.830 4.440 20 30 DIEDHN N#Cc1ccc(CNCc2ccccc2CC(F)(F)F)s1 ZINC000599018540 1038220328 /nfs/dbraw/zinc/22/03/28/1038220328.db2.gz YERJLKROWYBRLZ-UHFFFAOYSA-N 0 3 310.344 4.014 20 30 DIEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000796679095 1038235593 /nfs/dbraw/zinc/23/55/93/1038235593.db2.gz MTMHWXPIBKZMIO-JKSUJKDBSA-N 0 3 305.805 4.264 20 30 DIEDHN CCOc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341713226 1038243713 /nfs/dbraw/zinc/24/37/13/1038243713.db2.gz ZINOULXYTCKDQZ-IBGZPJMESA-N 0 3 306.409 4.124 20 30 DIEDHN COc1ccccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341757051 1038261508 /nfs/dbraw/zinc/26/15/08/1038261508.db2.gz HICKSPHFECZVJN-LIRRHRJNSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000593718461 1038262490 /nfs/dbraw/zinc/26/24/90/1038262490.db2.gz HOZYRXRNQUCBOD-GZRFBZBPSA-N 0 3 324.399 4.268 20 30 DIEDHN Cc1ccc(CN[C@@H](C)c2cccc(N3CCCC3)c2)cc1C#N ZINC000599354548 1038273750 /nfs/dbraw/zinc/27/37/50/1038273750.db2.gz QCMPDAWRPRPPIA-KRWDZBQOSA-N 0 3 319.452 4.318 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)c(C)c1OC ZINC000599418866 1038278441 /nfs/dbraw/zinc/27/84/41/1038278441.db2.gz BRXWTXVJFCKGNG-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN C=CCOc1ccc(CNC2(c3ccccc3C)CC2)cc1OC ZINC000647224311 1038304543 /nfs/dbraw/zinc/30/45/43/1038304543.db2.gz AUDWAPJGHJIMAB-UHFFFAOYSA-N 0 3 323.436 4.347 20 30 DIEDHN COc1ccc(C(C)(C)NCc2ccc(C)c(C#N)c2)cc1F ZINC000599598150 1038319776 /nfs/dbraw/zinc/31/97/76/1038319776.db2.gz RFSPVTYLOKZYQM-UHFFFAOYSA-N 0 3 312.388 4.039 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610829927 1038372212 /nfs/dbraw/zinc/37/22/12/1038372212.db2.gz SONBJXUUMVFYAN-KGLIPLIRSA-N 0 3 309.369 4.187 20 30 DIEDHN C=CCC[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000796715627 1038393742 /nfs/dbraw/zinc/39/37/42/1038393742.db2.gz HDEMXKIBNNLIKU-SFHVURJKSA-N 0 3 307.397 4.262 20 30 DIEDHN CN(Cc1ccnc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC000610992386 1038424556 /nfs/dbraw/zinc/42/45/56/1038424556.db2.gz ZWSILQGYVNGSPH-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN N#Cc1cc(CN(Cc2cccc(F)c2)C2CCCC2)ccn1 ZINC000610993161 1038426368 /nfs/dbraw/zinc/42/63/68/1038426368.db2.gz FYPGTWXAXSSNNH-UHFFFAOYSA-N 0 3 309.388 4.037 20 30 DIEDHN N#Cc1cc(CN[C@H](Cc2ccccc2)c2ccccc2)ccn1 ZINC000610994080 1038426561 /nfs/dbraw/zinc/42/65/61/1038426561.db2.gz LJUOUXVSBKAKLT-OAQYLSRUSA-N 0 3 313.404 4.027 20 30 DIEDHN N#Cc1cc(CN2CCCCC[C@H]2/C=C\c2ccccc2)ccn1 ZINC000610994673 1038426638 /nfs/dbraw/zinc/42/66/38/1038426638.db2.gz MJQONWHLZYMDCX-XPTLAUCJSA-N 0 3 317.436 4.411 20 30 DIEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)CC[C@H]1c1ccccc1 ZINC001167499502 1038453790 /nfs/dbraw/zinc/45/37/90/1038453790.db2.gz JVIDBQZBGRDCML-DNVCBOLYSA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1c1ccccc1 ZINC001167499501 1038454137 /nfs/dbraw/zinc/45/41/37/1038454137.db2.gz JVIDBQZBGRDCML-BEFAXECRSA-N 0 3 308.400 4.323 20 30 DIEDHN COc1cc(CN[C@H]2CCCc3ccc(C)cc32)ccc1C#N ZINC000342298416 1038521585 /nfs/dbraw/zinc/52/15/85/1038521585.db2.gz AGQHMPPFXYYHNS-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(SC)cc2)cc1 ZINC000172115647 1038549365 /nfs/dbraw/zinc/54/93/65/1038549365.db2.gz QAMLSVLZHCSRIE-UHFFFAOYSA-N 0 3 311.450 4.100 20 30 DIEDHN N#Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ccc1F ZINC000119953545 1038604467 /nfs/dbraw/zinc/60/44/67/1038604467.db2.gz CHOLKSFGGCPESV-LJQANCHMSA-N 0 3 312.363 4.467 20 30 DIEDHN C=CCCN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000606896521 1038636187 /nfs/dbraw/zinc/63/61/87/1038636187.db2.gz XREGPLNTGUDSMW-UHFFFAOYSA-N 0 3 317.864 4.210 20 30 DIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(CC#N)cc1)CCC2 ZINC000342736722 1038751795 /nfs/dbraw/zinc/75/17/95/1038751795.db2.gz QLTWMEVFRJUARN-QGZVFWFLSA-N 0 3 311.454 4.027 20 30 DIEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000342736482 1038752097 /nfs/dbraw/zinc/75/20/97/1038752097.db2.gz XQTQXVJXSOXMLI-KRWDZBQOSA-N 0 3 324.815 4.100 20 30 DIEDHN C=CCC[C@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC001167597876 1038754545 /nfs/dbraw/zinc/75/45/45/1038754545.db2.gz APCXIZGWAGAGMY-KRWDZBQOSA-N 0 3 309.400 4.037 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(C(F)(F)F)s1 ZINC000657530759 1038765840 /nfs/dbraw/zinc/76/58/40/1038765840.db2.gz SSAWJBXLKGAQEB-MNOVXSKESA-N 0 3 304.381 4.386 20 30 DIEDHN C=CCC1(NCc2csc(-c3ccsc3)n2)CCOCC1 ZINC000657632881 1038931634 /nfs/dbraw/zinc/93/16/34/1038931634.db2.gz ALVXIKNXHQGKOX-UHFFFAOYSA-N 0 3 320.483 4.087 20 30 DIEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000442670682 1039101847 /nfs/dbraw/zinc/10/18/47/1039101847.db2.gz DSEOONAMZKSKCW-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN Cc1ccc(CN2CCC(Cc3ccccc3F)CC2)cc1C#N ZINC001167654179 1039151305 /nfs/dbraw/zinc/15/13/05/1039151305.db2.gz YDYJKQMBXDQIFJ-UHFFFAOYSA-N 0 3 322.427 4.461 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000218862067 1039180062 /nfs/dbraw/zinc/18/00/62/1039180062.db2.gz KHQWPYLNSXATNS-DLBZAZTESA-N 0 3 324.468 4.304 20 30 DIEDHN C=CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000154537840 1039199221 /nfs/dbraw/zinc/19/92/21/1039199221.db2.gz KJCNCBHUFYTQMP-UHFFFAOYSA-N 0 3 305.809 4.177 20 30 DIEDHN C=CCN(C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000154781230 1039210047 /nfs/dbraw/zinc/21/00/47/1039210047.db2.gz WUOYLMMPEDOXRQ-UHFFFAOYSA-N 0 3 314.816 4.210 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170858 1039241584 /nfs/dbraw/zinc/24/15/84/1039241584.db2.gz CKLXKOWJTMFANK-KBXCAEBGSA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000442889686 1039242105 /nfs/dbraw/zinc/24/21/05/1039242105.db2.gz FVFWWEKTVWSBHW-IERDGZPVSA-N 0 3 318.420 4.141 20 30 DIEDHN CC(C)OCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000539499994 1039273539 /nfs/dbraw/zinc/27/35/39/1039273539.db2.gz VQWTVKHJBWGVIB-INIZCTEOSA-N 0 3 308.425 4.334 20 30 DIEDHN C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1cccc(C#N)c1 ZINC000064140928 1039313438 /nfs/dbraw/zinc/31/34/38/1039313438.db2.gz WLYFLTXXQIIPQR-CYBMUJFWSA-N 0 3 316.351 4.353 20 30 DIEDHN COc1ccc(OC)c(CN(CCC(C)(C)C#N)C(C)(C)C)c1 ZINC000540665847 1039539760 /nfs/dbraw/zinc/53/97/60/1039539760.db2.gz UPAYNLPJQWBIDP-UHFFFAOYSA-N 0 3 318.461 4.244 20 30 DIEDHN COc1cccc([C@H]2C[C@H](C)CN2Cc2cccc(C#N)c2)c1 ZINC000541316845 1039662233 /nfs/dbraw/zinc/66/22/33/1039662233.db2.gz JUDLJOKVBWFHNS-MGPUTAFESA-N 0 3 306.409 4.150 20 30 DIEDHN CCOCc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271901065 1039868273 /nfs/dbraw/zinc/86/82/73/1039868273.db2.gz AOGNRPQFLDHTHK-AWEZNQCLSA-N 0 3 312.388 4.085 20 30 DIEDHN C[C@@H](NC[C@@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531852 1039915180 /nfs/dbraw/zinc/91/51/80/1039915180.db2.gz VHTZMJPKAKVNLM-QZTJIDSGSA-N 0 3 317.436 4.240 20 30 DIEDHN Cc1cc(CNCc2ccccc2C(F)(F)F)ccc1C#N ZINC000443987897 1040001298 /nfs/dbraw/zinc/00/12/98/1040001298.db2.gz YNOAVAPSBWGSAP-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN CCCC[C@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818313 1040025219 /nfs/dbraw/zinc/02/52/19/1040025219.db2.gz NLSHZZGLGUNTGM-DOTOQJQBSA-N 0 3 324.428 4.057 20 30 DIEDHN C=CCCC1(C[NH2+][C@@H](c2cccs2)c2nnc[n-]2)CCCC1 ZINC000658098685 1040303028 /nfs/dbraw/zinc/30/30/28/1040303028.db2.gz PKDRBZIJLWBEJO-HNNXBMFYSA-N 0 3 316.474 4.072 20 30 DIEDHN CCCCCCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001167684442 1040397144 /nfs/dbraw/zinc/39/71/44/1040397144.db2.gz GNUGRFLOUHQMOH-IAGOWNOFSA-N 0 3 317.539 4.025 20 30 DIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000179602714 1040511005 /nfs/dbraw/zinc/51/10/05/1040511005.db2.gz MYBWMAJZPBTYDT-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN CN(CCSc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000612998836 1040755733 /nfs/dbraw/zinc/75/57/33/1040755733.db2.gz WZJBDEWSTGUFMY-UHFFFAOYSA-N 0 3 318.392 4.061 20 30 DIEDHN CC(C)c1ccc(C[C@H]2CCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000613130351 1040797881 /nfs/dbraw/zinc/79/78/81/1040797881.db2.gz NWDNSQSJSPTKGZ-LJQANCHMSA-N 0 3 319.452 4.141 20 30 DIEDHN CC(C)(C#N)CN[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000613145811 1040801447 /nfs/dbraw/zinc/80/14/47/1040801447.db2.gz MHBMLHKEFCRTOE-FQEVSTJZSA-N 0 3 306.453 4.370 20 30 DIEDHN N#CCC[C@H](C#N)CNCC1(c2cccc(Cl)c2)CCCC1 ZINC000066483998 1040853977 /nfs/dbraw/zinc/85/39/77/1040853977.db2.gz SDMZRIAGIUCCNG-OAHLLOKOSA-N 0 3 315.848 4.185 20 30 DIEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc2ccccc2s1 ZINC000613289571 1040860802 /nfs/dbraw/zinc/86/08/02/1040860802.db2.gz QACKHTOQIAHJFM-JTQLQIEISA-N 0 3 323.402 4.329 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696258 1041007411 /nfs/dbraw/zinc/00/74/11/1041007411.db2.gz OCJYKZCFFSFMPS-DLBZAZTESA-N 0 3 312.388 4.124 20 30 DIEDHN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(OC(F)(F)F)c1 ZINC001143468612 1041059411 /nfs/dbraw/zinc/05/94/11/1041059411.db2.gz IPWUGEKVRUGFBQ-XMQYKBBCSA-N 0 3 324.346 4.160 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(Br)cc2C)cc1 ZINC000809619908 1041198190 /nfs/dbraw/zinc/19/81/90/1041198190.db2.gz IFRRYSVJAXYBNT-UHFFFAOYSA-N 0 3 314.226 4.029 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000809627125 1041205863 /nfs/dbraw/zinc/20/58/63/1041205863.db2.gz OJSWBRJMVAGQRG-ZDUSSCGKSA-N 0 3 319.326 4.417 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc3sccc3c2)cc1 ZINC000810159862 1041328356 /nfs/dbraw/zinc/32/83/56/1041328356.db2.gz LHYRTHXLKUHJEN-UHFFFAOYSA-N 0 3 307.418 4.203 20 30 DIEDHN N#CCC1(CN2CCc3ccccc3[C@H]2c2ccccc2)CC1 ZINC001170615281 1041440693 /nfs/dbraw/zinc/44/06/93/1041440693.db2.gz XKRKNTFIJSBUIO-HXUWFJFHSA-N 0 3 302.421 4.328 20 30 DIEDHN C[C@@H](NCc1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000053147940 1041442781 /nfs/dbraw/zinc/44/27/81/1041442781.db2.gz RFBMMNVGMANVKV-CYBMUJFWSA-N 0 3 300.789 4.093 20 30 DIEDHN C=CC[C@@H](NCc1cc(C)nc2c1CCCC2)c1ccncc1 ZINC000892971827 1041445665 /nfs/dbraw/zinc/44/56/65/1041445665.db2.gz DIIKUQUQXUEXKV-LJQANCHMSA-N 0 3 307.441 4.071 20 30 DIEDHN CC(C)Oc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000728711392 1041473387 /nfs/dbraw/zinc/47/33/87/1041473387.db2.gz BNYVPHVMPCPHTC-MRXNPFEDSA-N 0 3 324.424 4.054 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000728712131 1041476447 /nfs/dbraw/zinc/47/64/47/1041476447.db2.gz VBSDQQFTTFMJNX-LIRRHRJNSA-N 0 3 324.449 4.055 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000728715215 1041482628 /nfs/dbraw/zinc/48/26/28/1041482628.db2.gz PYLVSFDDIUFKCL-OAHLLOKOSA-N 0 3 324.399 4.286 20 30 DIEDHN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1ccc(C#N)cc1 ZINC000290649899 1041526523 /nfs/dbraw/zinc/52/65/23/1041526523.db2.gz ZBCHJXRVJCRWCK-GOSISDBHSA-N 0 3 308.429 4.016 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1COCc2ccccc21 ZINC000417361305 1041664448 /nfs/dbraw/zinc/66/44/48/1041664448.db2.gz KPHNRAZRWMSSTG-LEWJYISDSA-N 0 3 318.420 4.187 20 30 DIEDHN CCC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375923 1041667688 /nfs/dbraw/zinc/66/76/88/1041667688.db2.gz ZYMVILMFNCQNSO-WOJBJXKFSA-N 0 3 305.425 4.462 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813213591 1041680469 /nfs/dbraw/zinc/68/04/69/1041680469.db2.gz NZZOXVIXKYZFBP-UZYOAWRESA-N 0 3 322.330 4.413 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813213588 1041680761 /nfs/dbraw/zinc/68/07/61/1041680761.db2.gz NZZOXVIXKYZFBP-AFNCTOJWSA-N 0 3 322.330 4.413 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000566624235 1041750117 /nfs/dbraw/zinc/75/01/17/1041750117.db2.gz PNLOWVJCETUCBY-CJNGLKHVSA-N 0 3 308.347 4.342 20 30 DIEDHN C[C@H](C1CC1)N(Cc1ccc(Br)cc1C#N)C1CC1 ZINC000561842192 1041791173 /nfs/dbraw/zinc/79/11/73/1041791173.db2.gz VFUCUVJYEYTMRM-LLVKDONJSA-N 0 3 319.246 4.084 20 30 DIEDHN CCOc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000814304777 1041808892 /nfs/dbraw/zinc/80/88/92/1041808892.db2.gz QYZMAZSCDAGDOQ-IBGZPJMESA-N 0 3 324.424 4.316 20 30 DIEDHN CC(C)(C)c1csc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000815031975 1041907629 /nfs/dbraw/zinc/90/76/29/1041907629.db2.gz MFSMQYICNSMDPZ-UKRRQHHQSA-N 0 3 317.502 4.312 20 30 DIEDHN C=C(Cl)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815593941 1041968892 /nfs/dbraw/zinc/96/88/92/1041968892.db2.gz BOIOGWPGDMBYCS-KRWDZBQOSA-N 0 3 301.817 4.408 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(C)(F)F ZINC000815912421 1042000459 /nfs/dbraw/zinc/00/04/59/1042000459.db2.gz LQYKQUNEWNWZNI-JQWIXIFHSA-N 0 3 320.364 4.278 20 30 DIEDHN C=CCC1(NCc2ncc(-c3ccc(OC)cc3)o2)CCCC1 ZINC000661849614 1042005714 /nfs/dbraw/zinc/00/57/14/1042005714.db2.gz XTWIBUDDDJOGKG-UHFFFAOYSA-N 0 3 312.413 4.329 20 30 DIEDHN C=CC(C)(C)CN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817584284 1042117564 /nfs/dbraw/zinc/11/75/64/1042117564.db2.gz ANHUSICZTZWGPV-NSHDSACASA-N 0 3 315.280 4.159 20 30 DIEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935113 1042192553 /nfs/dbraw/zinc/19/25/53/1042192553.db2.gz GXXPLOPMLSBZAA-MRXNPFEDSA-N 0 3 302.849 4.356 20 30 DIEDHN C=CCCC[C@@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000187422399 1042353204 /nfs/dbraw/zinc/35/32/04/1042353204.db2.gz ZEPZSQUCEKTOFL-GHMZBOCLSA-N 0 3 315.230 4.379 20 30 DIEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173964 1042421610 /nfs/dbraw/zinc/42/16/10/1042421610.db2.gz DEEFQNUHRILQIY-HNNXBMFYSA-N 0 3 308.425 4.386 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000614179369 1042423322 /nfs/dbraw/zinc/42/33/22/1042423322.db2.gz PYXYVTMKAGMCEB-FQEVSTJZSA-N 0 3 322.452 4.091 20 30 DIEDHN CC(C)(C#N)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000614179319 1042423491 /nfs/dbraw/zinc/42/34/91/1042423491.db2.gz NYZUAUGQLAKAQI-UHFFFAOYSA-N 0 3 315.420 4.138 20 30 DIEDHN CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1c(C)nn(C)c1C ZINC000614185207 1042424834 /nfs/dbraw/zinc/42/48/34/1042424834.db2.gz UUTBGXLUGUOTTO-SFHVURJKSA-N 0 3 324.472 4.079 20 30 DIEDHN CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1c(C)nn(C)c1C ZINC000614185206 1042425003 /nfs/dbraw/zinc/42/50/03/1042425003.db2.gz UUTBGXLUGUOTTO-GOSISDBHSA-N 0 3 324.472 4.079 20 30 DIEDHN Cc1ccc(OC2CCN(Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000614400943 1042492717 /nfs/dbraw/zinc/49/27/17/1042492717.db2.gz PJNWNSXRBYJJRZ-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN C=CCC[C@H](NCCn1c(C)nc2ccccc21)c1ccco1 ZINC000513672069 1042558329 /nfs/dbraw/zinc/55/83/29/1042558329.db2.gz IMRWEKGLPPOMQT-KRWDZBQOSA-N 0 3 309.413 4.235 20 30 DIEDHN C=CCOCCN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000679576827 1042575829 /nfs/dbraw/zinc/57/58/29/1042575829.db2.gz VXPOBUBYXQHLOQ-SFHVURJKSA-N 0 3 301.817 4.222 20 30 DIEDHN CC1(C)Cc2occc2[C@H](N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801859 1042597539 /nfs/dbraw/zinc/59/75/39/1042597539.db2.gz BKHYLBAHLFGIFM-ZWKOTPCHSA-N 0 3 306.409 4.442 20 30 DIEDHN C[C@H](NCc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000048162288 1042719862 /nfs/dbraw/zinc/71/98/62/1042719862.db2.gz PBSOCKACYMECHW-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000424300471 1042731958 /nfs/dbraw/zinc/73/19/58/1042731958.db2.gz XVJJQLVVYXRSAF-KMFMINBZSA-N 0 3 314.454 4.052 20 30 DIEDHN C=CCOC(=O)[C@@H](Nc1ccc2cnc(C)cc2c1)[C@@H](C)CC ZINC001167962495 1042887272 /nfs/dbraw/zinc/88/72/72/1042887272.db2.gz QQXVTLOHPPQWRL-UGSOOPFHSA-N 0 3 312.413 4.099 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCS2 ZINC000518183620 1042910374 /nfs/dbraw/zinc/91/03/74/1042910374.db2.gz JBBNIWOCIITZFH-SFHVURJKSA-N 0 3 324.449 4.088 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000426553117 1042935945 /nfs/dbraw/zinc/93/59/45/1042935945.db2.gz NZDCOLXDARSUFB-IBGZPJMESA-N 0 3 308.425 4.201 20 30 DIEDHN Cc1noc2ncc(CN[C@H](CCCC#N)c3ccccc3)cc12 ZINC000894855144 1042989940 /nfs/dbraw/zinc/98/99/40/1042989940.db2.gz NOVDHBXHUZJRMQ-GOSISDBHSA-N 0 3 320.396 4.056 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944625 1043014762 /nfs/dbraw/zinc/01/47/62/1043014762.db2.gz XNLGMNXSRUTKCL-QZTJIDSGSA-N 0 3 312.457 4.020 20 30 DIEDHN C=CCC[C@@H](O)CNCc1cc(Cl)cc(Cl)c1Cl ZINC001252619644 1043145894 /nfs/dbraw/zinc/14/58/94/1043145894.db2.gz NWNJHWSYYBJKEV-LLVKDONJSA-N 0 3 308.636 4.064 20 30 DIEDHN CC[C@@H](C)[C@H](C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491701 1043182752 /nfs/dbraw/zinc/18/27/52/1043182752.db2.gz OZENRJQYGRETHW-KGLIPLIRSA-N 0 3 324.428 4.007 20 30 DIEDHN CC(C)(CC#N)CN[C@H](CCc1ccccc1)c1ccccn1 ZINC000866373094 1043192890 /nfs/dbraw/zinc/19/28/90/1043192890.db2.gz VGXSSNWSVRMFQM-LJQANCHMSA-N 0 3 307.441 4.285 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CCCCC#N ZINC000267384679 1043306961 /nfs/dbraw/zinc/30/69/61/1043306961.db2.gz VKBMVOMLBAWOLE-SFHVURJKSA-N 0 3 310.445 4.448 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN1CCCCC#N ZINC000267384671 1043307876 /nfs/dbraw/zinc/30/78/76/1043307876.db2.gz VKBMVOMLBAWOLE-GOSISDBHSA-N 0 3 310.445 4.448 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2COCC)cc1 ZINC000122629469 1043318700 /nfs/dbraw/zinc/31/87/00/1043318700.db2.gz UMPIPTIEOZCQII-QGZVFWFLSA-N 0 3 323.436 4.086 20 30 DIEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)c(C)c1 ZINC000442605351 1043397568 /nfs/dbraw/zinc/39/75/68/1043397568.db2.gz MSOOLOPEXSQJCD-CQSZACIVSA-N 0 3 322.389 4.103 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783785 1043419193 /nfs/dbraw/zinc/41/91/93/1043419193.db2.gz NZDAXOZTOXUCRB-SZVBFZGTSA-N 0 3 324.399 4.228 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767415 1043421382 /nfs/dbraw/zinc/42/13/82/1043421382.db2.gz MQHQCZRHTRXTSY-HLAWJBBLSA-N 0 3 320.436 4.226 20 30 DIEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000442808836 1043429478 /nfs/dbraw/zinc/42/94/78/1043429478.db2.gz IRZVSKUIKOLIQD-CQSZACIVSA-N 0 3 312.388 4.289 20 30 DIEDHN COc1cc(CN(C)Cc2csc3ccccc23)ccc1C#N ZINC000442810954 1043430132 /nfs/dbraw/zinc/43/01/32/1043430132.db2.gz NUCCMXIPTJVSSU-UHFFFAOYSA-N 0 3 322.433 4.414 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871945 1043440530 /nfs/dbraw/zinc/44/05/30/1043440530.db2.gz MLFCUDRFLVCXAY-MDYRTPRTSA-N 0 3 318.420 4.459 20 30 DIEDHN C=CCC[C@@H](C)NCc1nc(COC)sc1-c1ccccc1 ZINC000442855533 1043443583 /nfs/dbraw/zinc/44/35/83/1043443583.db2.gz MQWXZAQUKWHCBH-CQSZACIVSA-N 0 3 316.470 4.401 20 30 DIEDHN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(CC#N)cc1 ZINC000558173912 1043450756 /nfs/dbraw/zinc/45/07/56/1043450756.db2.gz BNHSMZWPBOXJGC-LJQANCHMSA-N 0 3 308.425 4.344 20 30 DIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925925951 1043494244 /nfs/dbraw/zinc/49/42/44/1043494244.db2.gz KMTZAZCMVXYOAL-HNNXBMFYSA-N 0 3 320.436 4.126 20 30 DIEDHN CC(C)N(Cc1cccnc1)Cc1cccc(OCCCC#N)c1 ZINC000349252934 1043499330 /nfs/dbraw/zinc/49/93/30/1043499330.db2.gz VSIVXFNPURYLFZ-UHFFFAOYSA-N 0 3 323.440 4.175 20 30 DIEDHN N#CCCCN[C@@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000926131990 1043533188 /nfs/dbraw/zinc/53/31/88/1043533188.db2.gz INOGYHMCNHOTDB-INIZCTEOSA-N 0 3 306.768 4.249 20 30 DIEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000926473209 1043582260 /nfs/dbraw/zinc/58/22/60/1043582260.db2.gz YSFVTMWKXDDRKS-AHRSYUTCSA-N 0 3 322.452 4.379 20 30 DIEDHN C[C@@H]1c2ccccc2CCN1Cc1cccc(OCCCC#N)c1 ZINC000353393994 1043604627 /nfs/dbraw/zinc/60/46/27/1043604627.db2.gz LALBTGZGABGGKF-QGZVFWFLSA-N 0 3 320.436 4.488 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000353896290 1043655686 /nfs/dbraw/zinc/65/56/86/1043655686.db2.gz YDUGYQHPLWTOHX-HNNXBMFYSA-N 0 3 310.422 4.245 20 30 DIEDHN CCc1nc2c(s1)[C@H](NCc1ccc(C)c(C#N)c1)CCC2 ZINC000926967946 1043663210 /nfs/dbraw/zinc/66/32/10/1043663210.db2.gz ZCXIEHATLCDTSX-OAHLLOKOSA-N 0 3 311.454 4.053 20 30 DIEDHN C=C(C)[C@@H](NCc1cccc(OC)c1O)c1ccc(F)c(F)c1 ZINC000187370576 1043734417 /nfs/dbraw/zinc/73/44/17/1043734417.db2.gz XHCTUIXRCNHSRS-QGZVFWFLSA-N 0 3 319.351 4.086 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(SC)CCC1 ZINC000356338694 1043832819 /nfs/dbraw/zinc/83/28/19/1043832819.db2.gz NCRQKOHCVWZOSE-UHFFFAOYSA-N 0 3 307.507 4.128 20 30 DIEDHN N#Cc1cncc(CN[C@H](c2ccccc2)C2CCCCC2)c1 ZINC000930141038 1043885229 /nfs/dbraw/zinc/88/52/29/1043885229.db2.gz OIJAAEFGICPKEN-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN C[C@@H]1C[C@H]1[C@@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238401 1043904485 /nfs/dbraw/zinc/90/44/85/1043904485.db2.gz NZPXFDJGCPODDW-PJSAGSTRSA-N 0 3 311.816 4.094 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1Cc2ccccc21 ZINC000561349741 1043934808 /nfs/dbraw/zinc/93/48/08/1043934808.db2.gz XJAAUCCTMCZGIE-TYPHKJRUSA-N 0 3 302.421 4.098 20 30 DIEDHN Cc1ccncc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000474925943 1043988310 /nfs/dbraw/zinc/98/83/10/1043988310.db2.gz JYUUHRAQXUKRTJ-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880098905 1044012812 /nfs/dbraw/zinc/01/28/12/1044012812.db2.gz XRSOWJOHQRLXIS-GFCCVEGCSA-N 0 3 319.330 4.017 20 30 DIEDHN COc1ccccc1[C@H]1CSCCCN1CCC(C)(C)C#N ZINC000880175740 1044018032 /nfs/dbraw/zinc/01/80/32/1044018032.db2.gz DZAISBYKYWBEQE-MRXNPFEDSA-N 0 3 318.486 4.115 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2c2cccc3ccccc32)nc1 ZINC000562370084 1044105784 /nfs/dbraw/zinc/10/57/84/1044105784.db2.gz WOABLMRNPMQBIY-OAQYLSRUSA-N 0 3 313.404 4.444 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000932203943 1044109224 /nfs/dbraw/zinc/10/92/24/1044109224.db2.gz NFGCAFFWROYJOY-GOEBONIOSA-N 0 3 311.454 4.030 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(F)ccc2C)c1 ZINC000778087050 1044127614 /nfs/dbraw/zinc/12/76/14/1044127614.db2.gz BEJQJXSZUAIKHK-SFHVURJKSA-N 0 3 312.388 4.105 20 30 DIEDHN C=C(CN[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000346781182 1044141896 /nfs/dbraw/zinc/14/18/96/1044141896.db2.gz PUQBVRZVTXLHOS-QGZVFWFLSA-N 0 3 320.436 4.177 20 30 DIEDHN C=CCc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000129458874 1044152477 /nfs/dbraw/zinc/15/24/77/1044152477.db2.gz ZWIXMBGEHSGMOY-OAHLLOKOSA-N 0 3 311.425 4.283 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccccc2SC)cc1C#N ZINC000281661165 1044175875 /nfs/dbraw/zinc/17/58/75/1044175875.db2.gz KSRSVFKYKHDIJR-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN C#CCC1(N[C@@H](C)c2nc3ccccc3n2C(F)F)CCC1 ZINC000933298489 1044192204 /nfs/dbraw/zinc/19/22/04/1044192204.db2.gz AXLXEMDNMVKXMF-LBPRGKRZSA-N 0 3 303.356 4.028 20 30 DIEDHN Cc1cccnc1[C@H](NCc1ccc(OCC#N)cc1)C(C)(C)C ZINC000934289687 1044234500 /nfs/dbraw/zinc/23/45/00/1044234500.db2.gz JEWXHFRZQAFMNB-IBGZPJMESA-N 0 3 323.440 4.169 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)N[C@H](C)c1nnc(C)s1 ZINC000883216105 1044236688 /nfs/dbraw/zinc/23/66/88/1044236688.db2.gz LDYFPWZDISCRKR-CJNGLKHVSA-N 0 3 301.459 4.075 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)N[C@H](C)c1nnc(C)s1 ZINC000883216106 1044237263 /nfs/dbraw/zinc/23/72/63/1044237263.db2.gz LDYFPWZDISCRKR-CZUORRHYSA-N 0 3 301.459 4.075 20 30 DIEDHN CC(C)(CCC#N)CNCc1csc(-c2ccc(F)cc2)n1 ZINC000563564177 1044280860 /nfs/dbraw/zinc/28/08/60/1044280860.db2.gz HEJSVFWLZDLGDB-UHFFFAOYSA-N 0 3 317.433 4.369 20 30 DIEDHN COC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655679 1044297288 /nfs/dbraw/zinc/29/72/88/1044297288.db2.gz DRQISZQAFNORKX-NHCUHLMSSA-N 0 3 320.436 4.303 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC001253238338 1044318886 /nfs/dbraw/zinc/31/88/86/1044318886.db2.gz CZRHGFAWRCYZNV-LSDHHAIUSA-N 0 3 307.400 4.148 20 30 DIEDHN C[C@H](NCc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000035256407 1044319515 /nfs/dbraw/zinc/31/95/15/1044319515.db2.gz YOHHSCSQIGHFMC-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN C[C@H](NCc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000035256325 1044320413 /nfs/dbraw/zinc/32/04/13/1044320413.db2.gz FEPCDPMIZYNGGV-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN CCCCCCC[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001142007307 1044354375 /nfs/dbraw/zinc/35/43/75/1044354375.db2.gz ZNNDWBOJTHWJMS-QGZVFWFLSA-N 0 3 310.526 4.364 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(Cl)cc2C)n1 ZINC000361648999 1044427542 /nfs/dbraw/zinc/42/75/42/1044427542.db2.gz WEVJJHNYMZOXMM-GFCCVEGCSA-N 0 3 304.802 4.212 20 30 DIEDHN C=CC[C@@H]1N(Cc2nnc(-c3ccccc3)o2)CCCC1(C)C ZINC000444788873 1044630161 /nfs/dbraw/zinc/63/01/61/1044630161.db2.gz YJIRGXTVUJLDEX-INIZCTEOSA-N 0 3 311.429 4.303 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(NCCC)cc2)c1 ZINC000193152780 1044653819 /nfs/dbraw/zinc/65/38/19/1044653819.db2.gz SDIQMRJGWNGEGR-UHFFFAOYSA-N 0 3 310.441 4.363 20 30 DIEDHN CSc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1C#N ZINC000886689793 1044680852 /nfs/dbraw/zinc/68/08/52/1044680852.db2.gz HTFDKYIUDVWOHQ-ZDUSSCGKSA-N 0 3 312.438 4.145 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1C#N ZINC000886688688 1044681320 /nfs/dbraw/zinc/68/13/20/1044681320.db2.gz XUBJGVGWQJVVFI-QGZVFWFLSA-N 0 3 312.413 4.196 20 30 DIEDHN CSc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000886688010 1044681809 /nfs/dbraw/zinc/68/18/09/1044681809.db2.gz JEACUKCXBLORHE-CYBMUJFWSA-N 0 3 324.449 4.161 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000886688627 1044681863 /nfs/dbraw/zinc/68/18/63/1044681863.db2.gz WLUKRAYQDYULMH-QGZVFWFLSA-N 0 3 312.413 4.196 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000155230367 1044686453 /nfs/dbraw/zinc/68/64/53/1044686453.db2.gz QUFKKAWXVBOQKG-OAHLLOKOSA-N 0 3 324.399 4.281 20 30 DIEDHN CC[C@@H](C)[C@H](C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717314 1044690351 /nfs/dbraw/zinc/69/03/51/1044690351.db2.gz ZMXUGMOQZABCNH-KGLIPLIRSA-N 0 3 324.428 4.007 20 30 DIEDHN CC[C@@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740772 1044701252 /nfs/dbraw/zinc/70/12/52/1044701252.db2.gz XULLJDODTPCMFA-MOPGFXCFSA-N 0 3 322.408 4.131 20 30 DIEDHN CC(C)n1ncc2c1[C@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158814 1044768123 /nfs/dbraw/zinc/76/81/23/1044768123.db2.gz JAONHXNYFXHSTH-KBXCAEBGSA-N 0 3 308.429 4.064 20 30 DIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000156582380 1044813534 /nfs/dbraw/zinc/81/35/34/1044813534.db2.gz GKSUDTIRYCSECH-JSGCOSHPSA-N 0 3 316.451 4.128 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)NCC#Cc1cccc(Cl)c1 ZINC000445892159 1044848535 /nfs/dbraw/zinc/84/85/35/1044848535.db2.gz ZMYOGKGTOGXYFO-AWEZNQCLSA-N 0 3 303.755 4.258 20 30 DIEDHN C[C@@H](CCC#N)N1CC=C(c2cccc(Br)c2)CC1 ZINC000411523311 1045013051 /nfs/dbraw/zinc/01/30/51/1045013051.db2.gz FBSCKAJYJTVPKL-ZDUSSCGKSA-N 0 3 319.246 4.230 20 30 DIEDHN C=CCN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000338393279 1044994662 /nfs/dbraw/zinc/99/46/62/1044994662.db2.gz UDQRUNVWRNROGP-UHFFFAOYSA-N 0 3 309.438 4.219 20 30 DIEDHN C=CCC[C@H](NCCc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000428447639 1044995032 /nfs/dbraw/zinc/99/50/32/1044995032.db2.gz MXZQAQJYGLWNFK-INIZCTEOSA-N 0 3 323.396 4.169 20 30 DIEDHN C[C@H](CCC#N)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315937 1044995687 /nfs/dbraw/zinc/99/56/87/1044995687.db2.gz KCARMFVJWMLJGB-DGCLKSJQSA-N 0 3 313.228 4.139 20 30 DIEDHN C[C@H](CCC#N)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399415 1045006220 /nfs/dbraw/zinc/00/62/20/1045006220.db2.gz LGWXNCPJRQLBBE-MNOVXSKESA-N 0 3 317.380 4.034 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N2CCCCC2)cc1 ZINC000151392629 1045023792 /nfs/dbraw/zinc/02/37/92/1045023792.db2.gz HXAVBZQSOCIXQR-QGZVFWFLSA-N 0 3 319.452 4.399 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000153409910 1045054128 /nfs/dbraw/zinc/05/41/28/1045054128.db2.gz ZSAKDTZHCCXOLI-AWEZNQCLSA-N 0 3 324.399 4.337 20 30 DIEDHN Cc1ccc2[nH]c([C@H]3CCCN3CCCC(C)(C)C#N)nc2c1 ZINC000577272491 1045112942 /nfs/dbraw/zinc/11/29/42/1045112942.db2.gz HQSRGVBMMDLULS-QGZVFWFLSA-N 0 3 310.445 4.338 20 30 DIEDHN Cc1ccc2nc([C@H]3CCCN3CCCC(C)(C)C#N)[nH]c2c1 ZINC000577272491 1045112947 /nfs/dbraw/zinc/11/29/47/1045112947.db2.gz HQSRGVBMMDLULS-QGZVFWFLSA-N 0 3 310.445 4.338 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530762 1045137069 /nfs/dbraw/zinc/13/70/69/1045137069.db2.gz NNRXFNRDIMXFCL-SUMWQHHRSA-N 0 3 308.381 4.089 20 30 DIEDHN CCO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549538 1045144669 /nfs/dbraw/zinc/14/46/69/1045144669.db2.gz FGORLGDBLNJCBD-LIRRHRJNSA-N 0 3 312.388 4.126 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586756 1045152888 /nfs/dbraw/zinc/15/28/88/1045152888.db2.gz OPTGNJXEKPSQKP-SLYNCCJLSA-N 0 3 320.436 4.479 20 30 DIEDHN CC1(C)C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588373 1045154392 /nfs/dbraw/zinc/15/43/92/1045154392.db2.gz UBVPOISDDWNFCU-XPKDYRNWSA-N 0 3 302.393 4.100 20 30 DIEDHN CCCCCn1cc(CN[C@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447588199 1045155195 /nfs/dbraw/zinc/15/51/95/1045155195.db2.gz STTUWBPMDXYKPD-HXUWFJFHSA-N 0 3 324.472 4.494 20 30 DIEDHN Cc1[nH]c2ccc(CN[C@H]3CCc4ccc(C#N)cc43)cc2c1C ZINC000578102304 1045208368 /nfs/dbraw/zinc/20/83/68/1045208368.db2.gz CFTAJBLRKCPMKA-FQEVSTJZSA-N 0 3 315.420 4.434 20 30 DIEDHN CC(C)COc1ccccc1CN1CCC(CCC#N)CC1 ZINC000578646604 1045260300 /nfs/dbraw/zinc/26/03/00/1045260300.db2.gz CHQUKIFNYKHYSY-UHFFFAOYSA-N 0 3 300.446 4.237 20 30 DIEDHN CC(C)(CNC[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000579303003 1045307256 /nfs/dbraw/zinc/30/72/56/1045307256.db2.gz UESLVXYZGMFAGR-ZDUSSCGKSA-N 0 3 323.362 4.016 20 30 DIEDHN CCCCCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000779149363 1045323294 /nfs/dbraw/zinc/32/32/94/1045323294.db2.gz IETHUUDXTZZIDK-GOSISDBHSA-N 0 3 303.425 4.209 20 30 DIEDHN C=CCCCC[C@H](C)Nc1ccccc1CN1CCC(O)CC1 ZINC000449041849 1045339487 /nfs/dbraw/zinc/33/94/87/1045339487.db2.gz ORHFASMYJIWDAL-KRWDZBQOSA-N 0 3 316.489 4.190 20 30 DIEDHN CCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755688 1045339696 /nfs/dbraw/zinc/33/96/96/1045339696.db2.gz ZQDQGRTWOKSPMM-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN Cc1cc(Cl)ccc1C1=CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000528740510 1045406878 /nfs/dbraw/zinc/40/68/78/1045406878.db2.gz AHVGJOHKLRXUHB-YOEHRIQHSA-N 0 3 300.833 4.430 20 30 DIEDHN N#Cc1csc(CNC[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000449692019 1045429195 /nfs/dbraw/zinc/42/91/95/1045429195.db2.gz ZQGDCQBFBMUCSS-NVXWUHKLSA-N 0 3 311.454 4.078 20 30 DIEDHN C=C(Br)CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000381741610 1045582910 /nfs/dbraw/zinc/58/29/10/1045582910.db2.gz PAWJODPUMHXAIT-QWRGUYRKSA-N 0 3 302.643 4.330 20 30 DIEDHN CC(C)CC(CC(C)C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477205 1045584959 /nfs/dbraw/zinc/58/49/59/1045584959.db2.gz SCPGHTXDVJHHTF-AWEZNQCLSA-N 0 3 308.372 4.244 20 30 DIEDHN Cc1cc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)ccc1F ZINC000751503763 1045608391 /nfs/dbraw/zinc/60/83/91/1045608391.db2.gz BQZKCBPUTNCDHJ-LSDHHAIUSA-N 0 3 312.388 4.276 20 30 DIEDHN N#CCC[C@H](NC[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000800368502 1045611005 /nfs/dbraw/zinc/61/10/05/1045611005.db2.gz RCCMELQAMVSYOW-ROUUACIJSA-N 0 3 314.816 4.008 20 30 DIEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000800385171 1045613187 /nfs/dbraw/zinc/61/31/87/1045613187.db2.gz TVENWEQWELWLHF-WMLDXEAASA-N 0 3 322.408 4.313 20 30 DIEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000800385170 1045613653 /nfs/dbraw/zinc/61/36/53/1045613653.db2.gz TVENWEQWELWLHF-RHSMWYFYSA-N 0 3 322.408 4.313 20 30 DIEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000451143195 1045628530 /nfs/dbraw/zinc/62/85/30/1045628530.db2.gz HMMWKYJMFNZCNO-WDMOLILDSA-N 0 3 314.326 4.249 20 30 DIEDHN C#CCCOc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190963077 1045635186 /nfs/dbraw/zinc/63/51/86/1045635186.db2.gz LUMZLIOSHRZNRK-UTKZUKDTSA-N 0 3 320.436 4.067 20 30 DIEDHN CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1-c1ccccc1 ZINC000191256035 1045670709 /nfs/dbraw/zinc/67/07/09/1045670709.db2.gz ZUUUMFANSJXSMP-UHFFFAOYSA-N 0 3 315.420 4.196 20 30 DIEDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000800989469 1045678303 /nfs/dbraw/zinc/67/83/03/1045678303.db2.gz DGOUUZGNAJYMRV-LBPRGKRZSA-N 0 3 300.789 4.077 20 30 DIEDHN N#CCOc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000752786083 1045704586 /nfs/dbraw/zinc/70/45/86/1045704586.db2.gz MEHUAFJGTINXDQ-GOSISDBHSA-N 0 3 312.800 4.019 20 30 DIEDHN CCCn1c(C(=O)C(C#N)c2nc(C)cs2)cc2ccccc21 ZINC000191436258 1045705727 /nfs/dbraw/zinc/70/57/27/1045705727.db2.gz XZPJXPDCGJKNDN-CQSZACIVSA-N 0 3 323.421 4.306 20 30 DIEDHN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867946 1045740696 /nfs/dbraw/zinc/74/06/96/1045740696.db2.gz LHUKEVVQHYFXTK-DNVCBOLYSA-N 0 3 305.425 4.180 20 30 DIEDHN CCCCN(Cc1ccccc1O)Cc1cccc(C#N)c1F ZINC000801594912 1045748638 /nfs/dbraw/zinc/74/86/38/1045748638.db2.gz DBENTTJXEWHHGN-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN CCCCN(Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000801595802 1045749007 /nfs/dbraw/zinc/74/90/07/1045749007.db2.gz UPTYZTANUUZJBN-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000753590705 1045769562 /nfs/dbraw/zinc/76/95/62/1045769562.db2.gz OTJHALPSTFLWDG-ZDUSSCGKSA-N 0 3 320.314 4.160 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(OC(F)F)c1 ZINC000192150481 1045786032 /nfs/dbraw/zinc/78/60/32/1045786032.db2.gz BGCDNBPBBOTNSQ-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN CCC(CC)N(CC)Cc1ccc(C#N)cc1Br ZINC001137639293 1045912887 /nfs/dbraw/zinc/91/28/87/1045912887.db2.gz WWTPOEDXSJPMAV-UHFFFAOYSA-N 0 3 309.251 4.331 20 30 DIEDHN Cc1cc(C)c(O)c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000754737772 1045923769 /nfs/dbraw/zinc/92/37/69/1045923769.db2.gz VFDSBOUALWRNGO-VQTJNVASSA-N 0 3 320.436 4.281 20 30 DIEDHN Cc1cc(C)c(O)c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000754737763 1045923849 /nfs/dbraw/zinc/92/38/49/1045923849.db2.gz VFDSBOUALWRNGO-PMACEKPBSA-N 0 3 320.436 4.281 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000755601380 1046001045 /nfs/dbraw/zinc/00/10/45/1046001045.db2.gz GGYIRMPEPKZMFN-GDBMZVCRSA-N 0 3 314.429 4.105 20 30 DIEDHN COc1cc(CN[C@@H]2CC[C@@H](C)c3ccsc32)ccc1C#N ZINC000453247840 1046002730 /nfs/dbraw/zinc/00/27/30/1046002730.db2.gz IDCKVCCYJIXORL-MLGOLLRUSA-N 0 3 312.438 4.357 20 30 DIEDHN C#CC[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788942 1046006493 /nfs/dbraw/zinc/00/64/93/1046006493.db2.gz KESPAKZQKKRCNH-IRXDYDNUSA-N 0 3 323.440 4.150 20 30 DIEDHN CNc1ccc(C)cc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000902619529 1046036842 /nfs/dbraw/zinc/03/68/42/1046036842.db2.gz RXUSBJLJSZBKAC-UHFFFAOYSA-N 0 3 305.425 4.077 20 30 DIEDHN Cc1ccccc1C1(C(=O)C(C#N)c2nc(C(C)C)cs2)CC1 ZINC000080458488 1046055982 /nfs/dbraw/zinc/05/59/82/1046055982.db2.gz GFBFYBILLAYKRG-CQSZACIVSA-N 0 3 324.449 4.483 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000453381469 1046056795 /nfs/dbraw/zinc/05/67/95/1046056795.db2.gz LEXPEEKOLFRQJY-CWTRNNRKSA-N 0 3 312.363 4.250 20 30 DIEDHN CCC(=O)Nc1cccc(CN[C@@H](CC)c2cccc(C#N)c2)c1 ZINC000902752500 1046058932 /nfs/dbraw/zinc/05/89/32/1046058932.db2.gz KCBXMQJCTWPHDE-IBGZPJMESA-N 0 3 321.424 4.148 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000453362622 1046065312 /nfs/dbraw/zinc/06/53/12/1046065312.db2.gz BLZOPGHIXCZDME-HXUWFJFHSA-N 0 3 319.383 4.126 20 30 DIEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)c2sccc21 ZINC000453367579 1046067630 /nfs/dbraw/zinc/06/76/30/1046067630.db2.gz DIMTWTYECZUZPV-BDJLRTHQSA-N 0 3 300.402 4.487 20 30 DIEDHN CC[C@H](NCc1ccc(OC)c(Cl)c1)c1cccc(C#N)c1 ZINC000902880204 1046099502 /nfs/dbraw/zinc/09/95/02/1046099502.db2.gz FXDWPKLJLKEMPH-KRWDZBQOSA-N 0 3 314.816 4.461 20 30 DIEDHN CCC[C@H](NCc1cccc(O[C@@H](C#N)CC)c1)c1cccnc1 ZINC000756709699 1046122159 /nfs/dbraw/zinc/12/21/59/1046122159.db2.gz NPYPGUBHQXGGBL-QUCCMNQESA-N 0 3 323.440 4.394 20 30 DIEDHN C[C@@H](NCc1cc(C#N)ccc1F)c1cc2c(cc1O)CCCC2 ZINC000756731864 1046124588 /nfs/dbraw/zinc/12/45/88/1046124588.db2.gz JLTZDCKUIWJVES-CYBMUJFWSA-N 0 3 324.399 4.133 20 30 DIEDHN C[C@@H](NC1(Cc2cccc(Cl)c2)CC1)c1cc(C#N)ccn1 ZINC000903012796 1046140934 /nfs/dbraw/zinc/14/09/34/1046140934.db2.gz UCWGBSSFQHJHMY-CYBMUJFWSA-N 0 3 311.816 4.033 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077527 1046156840 /nfs/dbraw/zinc/15/68/40/1046156840.db2.gz KYPJZMVSLNXFDR-LRDDRELGSA-N 0 3 321.380 4.207 20 30 DIEDHN C#CC[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccccc1 ZINC000756997223 1046157427 /nfs/dbraw/zinc/15/74/27/1046157427.db2.gz WJWTYPRKDMHUQE-LJQANCHMSA-N 0 3 305.421 4.254 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077529 1046157779 /nfs/dbraw/zinc/15/77/79/1046157779.db2.gz KYPJZMVSLNXFDR-WBMJQRKESA-N 0 3 321.380 4.207 20 30 DIEDHN C#CC[C@H](NCc1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000756995384 1046157789 /nfs/dbraw/zinc/15/77/89/1046157789.db2.gz HLFSBRANZQTPIS-IBGZPJMESA-N 0 3 323.436 4.337 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OCC=C)c(OC)c1)c1ccccc1 ZINC000756997606 1046158312 /nfs/dbraw/zinc/15/83/12/1046158312.db2.gz ZBIUYVRUSPGXOM-LJQANCHMSA-N 0 3 321.420 4.114 20 30 DIEDHN C#CC[C@@H](NCc1cc(Br)cs1)c1ccccc1 ZINC000756998710 1046159405 /nfs/dbraw/zinc/15/94/05/1046159405.db2.gz ZXHAZYZDJXTGMQ-OAHLLOKOSA-N 0 3 320.255 4.365 20 30 DIEDHN C#CC[C@H](NCc1ccc(Br)cc1)c1ccccc1 ZINC000756998505 1046159616 /nfs/dbraw/zinc/15/96/16/1046159616.db2.gz XEXFQKYGLAQYAE-KRWDZBQOSA-N 0 3 314.226 4.303 20 30 DIEDHN C=CCC[C@@H](NCc1cnn(CC)c1)c1cccc(Cl)c1 ZINC000903121987 1046167077 /nfs/dbraw/zinc/16/70/77/1046167077.db2.gz UXDBVKAIYOEPAD-QGZVFWFLSA-N 0 3 303.837 4.354 20 30 DIEDHN C=CCC[C@H](NCc1cnn(C)c1C)c1cccc(Cl)c1 ZINC000903129895 1046169434 /nfs/dbraw/zinc/16/94/34/1046169434.db2.gz JJYGTBTXZKYLQP-KRWDZBQOSA-N 0 3 303.837 4.179 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1C#N ZINC000087823636 1046211553 /nfs/dbraw/zinc/21/15/53/1046211553.db2.gz OGBFYRLOHFHAIT-LBPRGKRZSA-N 0 3 300.427 4.096 20 30 DIEDHN C=CCC[C@@H](NCc1cnn(CCF)c1)c1cccc(Cl)c1 ZINC000903273737 1046218641 /nfs/dbraw/zinc/21/86/41/1046218641.db2.gz CSLCIZVCNIDSJJ-QGZVFWFLSA-N 0 3 321.827 4.303 20 30 DIEDHN CC[C@H]1CO[C@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198181 1046222166 /nfs/dbraw/zinc/22/21/66/1046222166.db2.gz SNWFUEGRJUMSTA-UZLBHIALSA-N 0 3 320.436 4.225 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC001138559046 1046226440 /nfs/dbraw/zinc/22/64/40/1046226440.db2.gz NAMQOOBIEHAWIX-OAQYLSRUSA-N 0 3 321.420 4.044 20 30 DIEDHN C=CCc1cccc(C[N@H+](CC)Cc2cccc(OC)c2)c1[O-] ZINC001138628488 1046246105 /nfs/dbraw/zinc/24/61/05/1046246105.db2.gz VMPGAMWZLPPLBP-UHFFFAOYSA-N 0 3 311.425 4.151 20 30 DIEDHN C=CCc1cccc(C[N@@H+](CC)Cc2cccc(OC)c2)c1[O-] ZINC001138628488 1046246113 /nfs/dbraw/zinc/24/61/13/1046246113.db2.gz VMPGAMWZLPPLBP-UHFFFAOYSA-N 0 3 311.425 4.151 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC=C(c3ccccc3)CC2)c1[O-] ZINC001138628202 1046247670 /nfs/dbraw/zinc/24/76/70/1046247670.db2.gz QJXNZAJXJCKTJW-UHFFFAOYSA-N 0 3 305.421 4.410 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1[O-] ZINC001138628202 1046247680 /nfs/dbraw/zinc/24/76/80/1046247680.db2.gz QJXNZAJXJCKTJW-UHFFFAOYSA-N 0 3 305.421 4.410 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC001138629220 1046247814 /nfs/dbraw/zinc/24/78/14/1046247814.db2.gz QXCDFSCGOKIRIK-INIZCTEOSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1[O-] ZINC001138629220 1046247824 /nfs/dbraw/zinc/24/78/24/1046247824.db2.gz QXCDFSCGOKIRIK-INIZCTEOSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)[C@H](C)c2ccccc2OC)c1[O-] ZINC001138628628 1046248200 /nfs/dbraw/zinc/24/82/00/1046248200.db2.gz ZBWRUUDAYMQHBY-OAHLLOKOSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)[C@H](C)c2ccccc2OC)c1[O-] ZINC001138628628 1046248212 /nfs/dbraw/zinc/24/82/12/1046248212.db2.gz ZBWRUUDAYMQHBY-OAHLLOKOSA-N 0 3 311.425 4.322 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903335945 1046249107 /nfs/dbraw/zinc/24/91/07/1046249107.db2.gz VGSJVPFLDHGPIL-ICSRJNTNSA-N 0 3 303.409 4.072 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903336539 1046249745 /nfs/dbraw/zinc/24/97/45/1046249745.db2.gz ZXTLDHZBZQOQSH-FPOVZHCZSA-N 0 3 317.436 4.462 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405731 1046267609 /nfs/dbraw/zinc/26/76/09/1046267609.db2.gz QTQPTSLECWNCLW-YWZLYKJASA-N 0 3 322.456 4.357 20 30 DIEDHN COc1ccc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)cc1C#N ZINC000758639960 1046282854 /nfs/dbraw/zinc/28/28/54/1046282854.db2.gz MIIARKVBQVNOMQ-FQEVSTJZSA-N 0 3 324.399 4.255 20 30 DIEDHN CCCCCCCN(CC)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138780659 1046291814 /nfs/dbraw/zinc/29/18/14/1046291814.db2.gz YMDBQMBQDIKMFX-SFHVURJKSA-N 0 3 307.482 4.375 20 30 DIEDHN CCCCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC001138954774 1046339403 /nfs/dbraw/zinc/33/94/03/1046339403.db2.gz ACIQEHVUOANDTK-UHFFFAOYSA-N 0 3 308.425 4.369 20 30 DIEDHN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270200 1046362570 /nfs/dbraw/zinc/36/25/70/1046362570.db2.gz UTRYADUVXSSIMZ-ORAYPTAESA-N 0 3 310.372 4.066 20 30 DIEDHN C[C@@H]1CCCCN1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424298 1046449289 /nfs/dbraw/zinc/44/92/89/1046449289.db2.gz OVLUMKPVFZZCJN-OAHLLOKOSA-N 0 3 307.397 4.120 20 30 DIEDHN CC1(c2ccccc2)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139531143 1046464840 /nfs/dbraw/zinc/46/48/40/1046464840.db2.gz NRUPQICAASSZEX-UHFFFAOYSA-N 0 3 308.400 4.251 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895544 1046484269 /nfs/dbraw/zinc/48/42/69/1046484269.db2.gz BTKZBELZZAETRA-KUHUBIRLSA-N 0 3 309.413 4.008 20 30 DIEDHN N#CCC1CCN(Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000782088924 1046494645 /nfs/dbraw/zinc/49/46/45/1046494645.db2.gz PHPPNCZJYROTDM-UHFFFAOYSA-N 0 3 314.376 4.424 20 30 DIEDHN Cc1cc(O)cc(C)c1CN1CCC(C#N)(c2ccccc2)CC1 ZINC001139711412 1046504891 /nfs/dbraw/zinc/50/48/91/1046504891.db2.gz FEEIHTPFCFIMLV-UHFFFAOYSA-N 0 3 320.436 4.066 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1CN1CCC[C@H](C#N)CC1 ZINC001139823563 1046527348 /nfs/dbraw/zinc/52/73/48/1046527348.db2.gz QZQVMCFGEOHTHH-HNNXBMFYSA-N 0 3 311.454 4.244 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001139876253 1046539467 /nfs/dbraw/zinc/53/94/67/1046539467.db2.gz OKEHOHPCMZXDNM-LJQANCHMSA-N 0 3 308.400 4.467 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC3(CCc4ccccc43)CC2)c1 ZINC001139877855 1046540998 /nfs/dbraw/zinc/54/09/98/1046540998.db2.gz VYWDIOLHTQLNIF-UHFFFAOYSA-N 0 3 320.411 4.177 20 30 DIEDHN CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccc1[O-] ZINC000092704984 1046557432 /nfs/dbraw/zinc/55/74/32/1046557432.db2.gz DNYJNFMPHSHKSG-MRXNPFEDSA-N 0 3 324.424 4.095 20 30 DIEDHN CCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccc1[O-] ZINC000092704984 1046557445 /nfs/dbraw/zinc/55/74/45/1046557445.db2.gz DNYJNFMPHSHKSG-MRXNPFEDSA-N 0 3 324.424 4.095 20 30 DIEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000678212576 1046586549 /nfs/dbraw/zinc/58/65/49/1046586549.db2.gz JKRJZJHLCAYIQW-HXUWFJFHSA-N 0 3 309.409 4.294 20 30 DIEDHN Cc1ccc([C@@H]2CCCN2Cc2c[nH]c3ccc(C#N)cc23)cn1 ZINC001140115686 1046594125 /nfs/dbraw/zinc/59/41/25/1046594125.db2.gz JACPYQXBXRHOJG-FQEVSTJZSA-N 0 3 316.408 4.080 20 30 DIEDHN C=CC1CCN(Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000678260048 1046601139 /nfs/dbraw/zinc/60/11/39/1046601139.db2.gz QFALOFUPQHELGU-UHFFFAOYSA-N 0 3 311.372 4.085 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2ccncc2)cc1 ZINC001140173329 1046608052 /nfs/dbraw/zinc/60/80/52/1046608052.db2.gz VCSUUOKQUJNLTC-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN CC[C@H](CSc1ccccc1)NCc1ccc(C#N)cc1F ZINC000533104568 1046656577 /nfs/dbraw/zinc/65/65/77/1046656577.db2.gz YRCYGNGYGJJKOX-MRXNPFEDSA-N 0 3 314.429 4.358 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nccs2)c1 ZINC001140337617 1046664847 /nfs/dbraw/zinc/66/48/47/1046664847.db2.gz VPNNGNSGZUYDEJ-XGBSXSJOSA-N 0 3 309.438 4.077 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000834814387 1046674262 /nfs/dbraw/zinc/67/42/62/1046674262.db2.gz JSFQGRWTHCWCJC-GJZGRUSLSA-N 0 3 324.380 4.019 20 30 DIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000533299133 1046691396 /nfs/dbraw/zinc/69/13/96/1046691396.db2.gz CIFKNNLHTSFYII-HZPDHXFCSA-N 0 3 302.462 4.425 20 30 DIEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744293 1046693417 /nfs/dbraw/zinc/69/34/17/1046693417.db2.gz KKYKKKJJZUXIPY-DLBZAZTESA-N 0 3 308.425 4.113 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000834877212 1046694786 /nfs/dbraw/zinc/69/47/86/1046694786.db2.gz IBLBTTAIYHFLLZ-JXXFODFXSA-N 0 3 321.420 4.262 20 30 DIEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000533443731 1046727418 /nfs/dbraw/zinc/72/74/18/1046727418.db2.gz MBZUUBVORFJEMK-LJQANCHMSA-N 0 3 306.409 4.076 20 30 DIEDHN C=CCC[C@@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941588 1046761182 /nfs/dbraw/zinc/76/11/82/1046761182.db2.gz ODJSZZTWEHCNDN-SJLPKXTDSA-N 0 3 319.832 4.438 20 30 DIEDHN C=CCC[C@@H](NC[C@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943494 1046761392 /nfs/dbraw/zinc/76/13/92/1046761392.db2.gz ZHLXEAOYEWIPGY-AEFFLSMTSA-N 0 3 319.832 4.438 20 30 DIEDHN C=CCC[C@@H](NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972790 1046764506 /nfs/dbraw/zinc/76/45/06/1046764506.db2.gz RIWDXGLLWNPSBZ-CVEARBPZSA-N 0 3 323.795 4.403 20 30 DIEDHN N#Cc1ccc(Cl)c(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001140602174 1046804424 /nfs/dbraw/zinc/80/44/24/1046804424.db2.gz FYBZSMOSIDCFJH-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1ccc(Cl)c(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001140602173 1046805535 /nfs/dbraw/zinc/80/55/35/1046805535.db2.gz FYBZSMOSIDCFJH-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1ccc(Cl)c(CN2CCCC3(CC(F)C3)CC2)c1 ZINC001140603051 1046806530 /nfs/dbraw/zinc/80/65/30/1046806530.db2.gz XURGKRQQKRNKQO-UHFFFAOYSA-N 0 3 306.812 4.316 20 30 DIEDHN C#CCN(Cc1cc(C)c(O)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001140658613 1046840768 /nfs/dbraw/zinc/84/07/68/1046840768.db2.gz JFEABWSSIRMVOR-HXUWFJFHSA-N 0 3 305.421 4.132 20 30 DIEDHN C=CCN(Cc1cc(Br)ccn1)C1CCCCC1 ZINC001140767301 1046891330 /nfs/dbraw/zinc/89/13/30/1046891330.db2.gz JLKUTGZVRXCTGC-UHFFFAOYSA-N 0 3 309.251 4.165 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000797878225 1046901076 /nfs/dbraw/zinc/90/10/76/1046901076.db2.gz QANZVXXDXNYESQ-NQIIRXRSSA-N 0 3 323.436 4.130 20 30 DIEDHN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000797939813 1046909145 /nfs/dbraw/zinc/90/91/45/1046909145.db2.gz JSYNXTRLLQTOQU-OCCSQVGLSA-N 0 3 314.335 4.237 20 30 DIEDHN CCN(CC)[C@H](CNc1ccc(Cl)cc1C#N)c1ccco1 ZINC000303536553 1046931986 /nfs/dbraw/zinc/93/19/86/1046931986.db2.gz XQZKYIQGYUQUMV-MRXNPFEDSA-N 0 3 317.820 4.300 20 30 DIEDHN CCN(CC)[C@H](CNc1cc(Cl)ccc1C#N)c1ccco1 ZINC000303746022 1046954007 /nfs/dbraw/zinc/95/40/07/1046954007.db2.gz GBDJZSFECQDDCB-MRXNPFEDSA-N 0 3 317.820 4.300 20 30 DIEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000303742673 1046954109 /nfs/dbraw/zinc/95/41/09/1046954109.db2.gz IXCMLJJSSDLMQO-CRAIPNDOSA-N 0 3 308.400 4.384 20 30 DIEDHN C=CCCCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000649254669 1047120151 /nfs/dbraw/zinc/12/01/51/1047120151.db2.gz HVQVMKOJISJQQT-QWRGUYRKSA-N 0 3 303.290 4.405 20 30 DIEDHN C#CCCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000760292096 1047117876 /nfs/dbraw/zinc/11/78/76/1047117876.db2.gz QJJWPJHAFQKJSN-QGZVFWFLSA-N 0 3 314.226 4.151 20 30 DIEDHN CCCCCCCN(CC)Cc1cnc(C(F)(F)F)nc1 ZINC001141460123 1047139119 /nfs/dbraw/zinc/13/91/19/1047139119.db2.gz JYDXBPPUPONQEC-UHFFFAOYSA-N 0 3 303.372 4.288 20 30 DIEDHN C[C@@H](NCCc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC001116519240 1047151695 /nfs/dbraw/zinc/15/16/95/1047151695.db2.gz MYORKRREKYFBRT-LLVKDONJSA-N 0 3 320.770 4.383 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](CC)c2ccc(F)cc2)cc1 ZINC001116543519 1047155201 /nfs/dbraw/zinc/15/52/01/1047155201.db2.gz ZCORDRGFAPZHCV-FQEVSTJZSA-N 0 3 311.400 4.469 20 30 DIEDHN C[C@H]1CC[C@@](C)(C(=O)C(C#N)c2nc3ccccc3o2)C1(C)C ZINC000838790016 1047155952 /nfs/dbraw/zinc/15/59/52/1047155952.db2.gz BWYFJXTVRYGLQW-JMERFSKESA-N 0 3 310.397 4.466 20 30 DIEDHN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CC1(C#N)CC1 ZINC000537247294 1047156188 /nfs/dbraw/zinc/15/61/88/1047156188.db2.gz CCUXJLWVXGPISA-UWJYYQICSA-N 0 3 316.448 4.369 20 30 DIEDHN C#CCCN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000760297406 1047194920 /nfs/dbraw/zinc/19/49/20/1047194920.db2.gz VRFGQFNFLMKYEQ-SFHVURJKSA-N 0 3 317.404 4.389 20 30 DIEDHN C[C@@H](NCc1nc(C#N)cs1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000897629897 1047249840 /nfs/dbraw/zinc/24/98/40/1047249840.db2.gz OAZYCMXEPDOWRR-DVVUODLYSA-N 0 3 323.874 4.011 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000897628896 1047250236 /nfs/dbraw/zinc/25/02/36/1047250236.db2.gz OQLJREUTMNBUNY-DZGCQCFKSA-N 0 3 317.845 4.094 20 30 DIEDHN CCCCCCCCN(C)Cc1ccc(C#N)c(SC)n1 ZINC001141939454 1047312134 /nfs/dbraw/zinc/31/21/34/1047312134.db2.gz QPMDPIQCAIVXMP-UHFFFAOYSA-N 0 3 305.491 4.467 20 30 DIEDHN CCCCCCCN(CC)Cc1ccc(C#N)c(SC)n1 ZINC001141939317 1047313048 /nfs/dbraw/zinc/31/30/48/1047313048.db2.gz NWERQANRZQLEKX-UHFFFAOYSA-N 0 3 305.491 4.467 20 30 DIEDHN C=CCC(C)(C)CN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652201910 1047346305 /nfs/dbraw/zinc/34/63/05/1047346305.db2.gz STYRHUFDYOYSTF-LJQANCHMSA-N 0 3 310.441 4.372 20 30 DIEDHN CC(C)COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742013 1047406288 /nfs/dbraw/zinc/40/62/88/1047406288.db2.gz JKLHJROXIKNVSD-OAQYLSRUSA-N 0 3 320.436 4.370 20 30 DIEDHN N#CC(C(=O)C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802982 1047505614 /nfs/dbraw/zinc/50/56/14/1047505614.db2.gz KTPBXTYIHNUOCG-URWSZGRFSA-N 0 3 308.303 4.023 20 30 DIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121125053 1047512000 /nfs/dbraw/zinc/51/20/00/1047512000.db2.gz DUXFBMXGMVZWIC-HNNXBMFYSA-N 0 3 302.462 4.036 20 30 DIEDHN C=CCC[C@@H](O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000121376034 1047516857 /nfs/dbraw/zinc/51/68/57/1047516857.db2.gz ILROFOISDCEHCZ-CXAGYDPISA-N 0 3 319.495 4.084 20 30 DIEDHN C#CCN(Cc1cc(C)cc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001143156986 1047535742 /nfs/dbraw/zinc/53/57/42/1047535742.db2.gz UPYRAJWYHUWVAB-OAQYLSRUSA-N 0 3 305.421 4.126 20 30 DIEDHN C=CCC[C@@H](NCc1cnc(CCOC)s1)c1ccccc1 ZINC000631097917 1047537501 /nfs/dbraw/zinc/53/75/01/1047537501.db2.gz HLEWEOLRFLZDFW-QGZVFWFLSA-N 0 3 316.470 4.129 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755110 1047619835 /nfs/dbraw/zinc/61/98/35/1047619835.db2.gz CECVCJATOXUSOA-UGSOOPFHSA-N 0 3 309.369 4.268 20 30 DIEDHN CCCOc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538508655 1047684000 /nfs/dbraw/zinc/68/40/00/1047684000.db2.gz WTZPOEAGANAMLN-CQSZACIVSA-N 0 3 312.388 4.337 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000538513451 1047685013 /nfs/dbraw/zinc/68/50/13/1047685013.db2.gz KCVHNGWMPHIJMJ-ZDUSSCGKSA-N 0 3 304.409 4.205 20 30 DIEDHN CCc1c(C)nc2sc(C#N)c(Nc3ccncc3C)c2c1C ZINC001174537829 1047866217 /nfs/dbraw/zinc/86/62/17/1047866217.db2.gz UDAWSXHADQWTKW-UHFFFAOYSA-N 0 3 322.437 4.216 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2OC2(CCC2)C1 ZINC001197683173 1047869039 /nfs/dbraw/zinc/86/90/39/1047869039.db2.gz UDPFOVULPZTCAS-MRXNPFEDSA-N 0 3 318.420 4.437 20 30 DIEDHN C#CCN(Cc1ccc(Cl)c(Br)c1)C(C)(C)C ZINC001197937031 1047905504 /nfs/dbraw/zinc/90/55/04/1047905504.db2.gz GHXCRTHAXXUHNM-UHFFFAOYSA-N 0 3 314.654 4.336 20 30 DIEDHN N#Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1F ZINC000774627525 1047929594 /nfs/dbraw/zinc/92/95/94/1047929594.db2.gz RDTVMNONPVELPK-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN N#Cc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1F ZINC000774627525 1047929607 /nfs/dbraw/zinc/92/96/07/1047929607.db2.gz RDTVMNONPVELPK-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN COc1ccc([C@@H](C)NCC#Cc2ccc(Cl)cc2)cc1C ZINC001198261146 1047938092 /nfs/dbraw/zinc/93/80/92/1047938092.db2.gz WSLKTEJKQAIWKO-OAHLLOKOSA-N 0 3 313.828 4.359 20 30 DIEDHN COc1ccc([C@@H](C)NCC#Cc2ccccc2Cl)cc1C ZINC001198261166 1047938148 /nfs/dbraw/zinc/93/81/48/1047938148.db2.gz XTHDQLODRQNGFJ-OAHLLOKOSA-N 0 3 313.828 4.359 20 30 DIEDHN C[C@H](CC(C)(C)C#N)NCc1ccccc1OCC(F)(F)F ZINC000924726466 1047962874 /nfs/dbraw/zinc/96/28/74/1047962874.db2.gz NDVFHDALVLZIGW-GFCCVEGCSA-N 0 3 314.351 4.046 20 30 DIEDHN CC[C@@H](NCc1ccc(OC)c(OC)c1C)c1ccc(C#N)cc1 ZINC000927124929 1048005778 /nfs/dbraw/zinc/00/57/78/1048005778.db2.gz ONHSCOBPUQGDOT-GOSISDBHSA-N 0 3 324.424 4.125 20 30 DIEDHN CCCCCCC[C@@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000775972866 1048068210 /nfs/dbraw/zinc/06/82/10/1048068210.db2.gz YUAGSJYVRFHMSC-WBVHZDCISA-N 0 3 300.450 4.233 20 30 DIEDHN C[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccc(C#N)cc1 ZINC000480655519 1048209566 /nfs/dbraw/zinc/20/95/66/1048209566.db2.gz XAVZNKRYBWFEBG-OAHLLOKOSA-N 0 3 306.409 4.198 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)c(Br)c1 ZINC000480718510 1048228067 /nfs/dbraw/zinc/22/80/67/1048228067.db2.gz PXPVHBLIYVCRIA-MRXNPFEDSA-N 0 3 319.246 4.085 20 30 DIEDHN COc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981380 1048247125 /nfs/dbraw/zinc/24/71/25/1048247125.db2.gz CBVVTZYVUCXJKZ-SGTLLEGYSA-N 0 3 310.372 4.044 20 30 DIEDHN CCCCCCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC001201631086 1048326878 /nfs/dbraw/zinc/32/68/78/1048326878.db2.gz LTSDSUCPWOODOF-FQEVSTJZSA-N 0 3 324.553 4.314 20 30 DIEDHN N#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1Cl ZINC001175506372 1048340211 /nfs/dbraw/zinc/34/02/11/1048340211.db2.gz WQWASMLHWVZVKO-UHFFFAOYSA-N 0 3 323.827 4.413 20 30 DIEDHN CC(C)[C@H](C#N)c1ccc(-n2c3ccccc3nc2[C@H](C)N)cc1 ZINC001162777276 1048358165 /nfs/dbraw/zinc/35/81/65/1048358165.db2.gz OTQHULBJEPQLRA-YOEHRIQHSA-N 0 3 318.424 4.308 20 30 DIEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)C1(F)F ZINC000600184210 1048386000 /nfs/dbraw/zinc/38/60/00/1048386000.db2.gz OCXHOVSBEHJJSJ-GJZGRUSLSA-N 0 3 322.399 4.092 20 30 DIEDHN C=C[C@@H](COC)NC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001202094060 1048449517 /nfs/dbraw/zinc/44/95/17/1048449517.db2.gz ZLTDJXUKGJLCDJ-SONCPKABSA-N 0 3 323.436 4.069 20 30 DIEDHN CC(C)(C#N)c1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC001202282086 1048511036 /nfs/dbraw/zinc/51/10/36/1048511036.db2.gz ZWOZGQOHOWDZMJ-UHFFFAOYSA-N 0 3 315.420 4.326 20 30 DIEDHN C/C(=N\[O-])c1ccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001163848216 1048539062 /nfs/dbraw/zinc/53/90/62/1048539062.db2.gz MIJBSDKOOAXULT-WSDLNYQXSA-N 0 3 311.429 4.490 20 30 DIEDHN CC(C)(NCc1cc(Cl)cc(C#N)c1)c1ccc(F)cc1 ZINC001176176787 1048580465 /nfs/dbraw/zinc/58/04/65/1048580465.db2.gz SQRYTPPOYMXQJX-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128671090 1048603374 /nfs/dbraw/zinc/60/33/74/1048603374.db2.gz UBUYESOFYQBVME-MRXNPFEDSA-N 0 3 308.381 4.067 20 30 DIEDHN CC[C@H](NCc1cc(C#N)ccn1)c1cccc2ccccc21 ZINC001176219459 1048607448 /nfs/dbraw/zinc/60/74/48/1048607448.db2.gz YIPDTIBHIKUADD-FQEVSTJZSA-N 0 3 301.393 4.347 20 30 DIEDHN CC(C)(NCc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000850119983 1048618938 /nfs/dbraw/zinc/61/89/38/1048618938.db2.gz UMSYJTBZGLHNKK-UHFFFAOYSA-N 0 3 308.400 4.406 20 30 DIEDHN COc1c(C)cc(CNC(C)(C)c2cccc(C#N)c2)cc1C ZINC000850355185 1048636323 /nfs/dbraw/zinc/63/63/23/1048636323.db2.gz HIPHETCMKJUSAM-UHFFFAOYSA-N 0 3 308.425 4.209 20 30 DIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000160154307 1048643622 /nfs/dbraw/zinc/64/36/22/1048643622.db2.gz KDBFPDFVZJCBRM-CQSZACIVSA-N 0 3 313.426 4.129 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cc2cnccc2o1 ZINC000850444632 1048657616 /nfs/dbraw/zinc/65/76/16/1048657616.db2.gz YPVJHFOTJWWISB-UONOGXRCSA-N 0 3 321.380 4.142 20 30 DIEDHN CC(C)c1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000775329821 1048672461 /nfs/dbraw/zinc/67/24/61/1048672461.db2.gz SQWJXDSRPFSGJP-INIZCTEOSA-N 0 3 308.425 4.391 20 30 DIEDHN C#CCN(Cc1ccc(C)c(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC001176453695 1048687832 /nfs/dbraw/zinc/68/78/32/1048687832.db2.gz XMVOTDQFLHWJJE-JOCHJYFZSA-N 0 3 314.432 4.380 20 30 DIEDHN C=CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393059 1048748234 /nfs/dbraw/zinc/74/82/34/1048748234.db2.gz KOOTXTULXRVLCH-PMACEKPBSA-N 0 3 303.409 4.238 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393061 1048748867 /nfs/dbraw/zinc/74/88/67/1048748867.db2.gz KOOTXTULXRVLCH-VQTJNVASSA-N 0 3 303.409 4.238 20 30 DIEDHN C#CCN(CCC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 ZINC001190527134 1048749721 /nfs/dbraw/zinc/74/97/21/1048749721.db2.gz DPQRBQDQECVPMB-HXUWFJFHSA-N 0 3 306.453 4.473 20 30 DIEDHN COc1ccc([C@@H]2CCCCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000483187790 1048754329 /nfs/dbraw/zinc/75/43/29/1048754329.db2.gz VQVYMWNGZDEXRJ-FQEVSTJZSA-N 0 3 323.440 4.023 20 30 DIEDHN C#CC[C@H](NCc1cc(C)nc2ccccc12)c1ccccc1 ZINC000775400007 1048764457 /nfs/dbraw/zinc/76/44/57/1048764457.db2.gz LGQHDGYDSYPLRE-FQEVSTJZSA-N 0 3 300.405 4.397 20 30 DIEDHN C=CCCCN(CC)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC001176797860 1048789650 /nfs/dbraw/zinc/78/96/50/1048789650.db2.gz GHMYMVHPDOYDEX-DLBZAZTESA-N 0 3 314.473 4.031 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC[C@H](Cc2ccccc2)C1 ZINC001190854694 1048793153 /nfs/dbraw/zinc/79/31/53/1048793153.db2.gz JTFKYBJHSJVHNM-LJQANCHMSA-N 0 3 320.436 4.022 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](Cc2ccccc2)C1 ZINC001190854690 1048793860 /nfs/dbraw/zinc/79/38/60/1048793860.db2.gz JTFKYBJHSJVHNM-IBGZPJMESA-N 0 3 320.436 4.022 20 30 DIEDHN C[C@@H]1CCC[C@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864222 1048795975 /nfs/dbraw/zinc/79/59/75/1048795975.db2.gz FJHFTFSRFZGTHV-OKILXGFUSA-N 0 3 311.347 4.200 20 30 DIEDHN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902954128 1048803938 /nfs/dbraw/zinc/80/39/38/1048803938.db2.gz QTORAENEGIRVSP-QEEYODRMSA-N 0 3 305.425 4.318 20 30 DIEDHN N#Cc1ccc(Br)c(CN[C@@H]2CC23CCCCC3)c1 ZINC001203262603 1048854688 /nfs/dbraw/zinc/85/46/88/1048854688.db2.gz DGGUXEYSCLIAAG-OAHLLOKOSA-N 0 3 319.246 4.133 20 30 DIEDHN CC1(C)C[C@]1(NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000852772922 1048859082 /nfs/dbraw/zinc/85/90/82/1048859082.db2.gz SJHJVTIHSIHFHI-FQEVSTJZSA-N 0 3 306.409 4.004 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091517 1048878772 /nfs/dbraw/zinc/87/87/72/1048878772.db2.gz LHWPDGCKUZUNPS-HRAATJIYSA-N 0 3 320.436 4.392 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091616 1048879378 /nfs/dbraw/zinc/87/93/78/1048879378.db2.gz LHWPDGCKUZUNPS-KKSFZXQISA-N 0 3 320.436 4.392 20 30 DIEDHN CCCCCCC[C@H](C)CNCc1nc(Br)c[nH]1 ZINC001177428820 1048891151 /nfs/dbraw/zinc/89/11/51/1048891151.db2.gz IXNOHGLRDZTZOY-LBPRGKRZSA-N 0 3 316.287 4.258 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001191191411 1048892497 /nfs/dbraw/zinc/89/24/97/1048892497.db2.gz AXOOOTAYUDTLNT-QGZVFWFLSA-N 0 3 310.828 4.276 20 30 DIEDHN Cc1cc([C@@H](NCc2ccc(C#N)c(F)c2)C2CC2)ccc1F ZINC000484083426 1048898043 /nfs/dbraw/zinc/89/80/43/1048898043.db2.gz JCTOIQKCIYJGOB-IBGZPJMESA-N 0 3 312.363 4.386 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC#Cc1ccccc1 ZINC000484099794 1048898888 /nfs/dbraw/zinc/89/88/88/1048898888.db2.gz ZYGAOZPJISGMJZ-BEFAXECRSA-N 0 3 313.828 4.057 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@H]1c1ccccc1 ZINC001191224074 1048903281 /nfs/dbraw/zinc/90/32/81/1048903281.db2.gz SFWCELNVYCADCV-DNVCBOLYSA-N 0 3 308.400 4.323 20 30 DIEDHN COc1cccc(CN(CCC#N)C2CCCCCCC2)c1O ZINC001203592088 1048937546 /nfs/dbraw/zinc/93/75/46/1048937546.db2.gz CHYAHRRDJVYDRI-UHFFFAOYSA-N 0 3 316.445 4.229 20 30 DIEDHN COc1cccc([C@@H](C)NCc2cccc(OCCCC#N)c2)c1 ZINC000338958280 1048939398 /nfs/dbraw/zinc/93/93/98/1048939398.db2.gz UJLFUUCCLBOKAD-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000111942994 1048941097 /nfs/dbraw/zinc/94/10/97/1048941097.db2.gz VBABUFDQWVBZNL-KGLIPLIRSA-N 0 3 316.451 4.199 20 30 DIEDHN CC(C)Oc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776728398 1048964971 /nfs/dbraw/zinc/96/49/71/1048964971.db2.gz FPGHYCFXBUIZKC-CQSZACIVSA-N 0 3 312.388 4.335 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000776800591 1049020330 /nfs/dbraw/zinc/02/03/30/1049020330.db2.gz RPMAQOAVIUNOTG-INIZCTEOSA-N 0 3 312.363 4.134 20 30 DIEDHN COc1cccc([C@H]2CCCCN2Cc2ccc(C#N)cc2)c1 ZINC001203903395 1049028586 /nfs/dbraw/zinc/02/85/86/1049028586.db2.gz DYBGUQSBQUEBFW-HXUWFJFHSA-N 0 3 306.409 4.294 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000113314097 1049031829 /nfs/dbraw/zinc/03/18/29/1049031829.db2.gz LARHFRMOGZJBRW-IBGZPJMESA-N 0 3 323.461 4.415 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000113331858 1049033343 /nfs/dbraw/zinc/03/33/43/1049033343.db2.gz SYZICNAZUHKCSX-FQEVSTJZSA-N 0 3 321.420 4.092 20 30 DIEDHN C[C@@H](NCc1ccccc1N1CCCCC1)c1ccc(C#N)cc1 ZINC000192940876 1049040079 /nfs/dbraw/zinc/04/00/79/1049040079.db2.gz XXHMYUIYUPXHRO-QGZVFWFLSA-N 0 3 319.452 4.399 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962173 1049046529 /nfs/dbraw/zinc/04/65/29/1049046529.db2.gz HOPDUWGVVCYXKZ-GOSISDBHSA-N 0 3 320.436 4.391 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001178536981 1049053979 /nfs/dbraw/zinc/05/39/79/1049053979.db2.gz GKYGERMJAOFGIX-INIZCTEOSA-N 0 3 301.817 4.298 20 30 DIEDHN C#CCN(Cc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc21 ZINC001204042016 1049068898 /nfs/dbraw/zinc/06/88/98/1049068898.db2.gz HIVPHIYARPFCHD-OAQYLSRUSA-N 0 3 300.405 4.291 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC)c(O[C@@H](C)CC)c2)cc1 ZINC001178758891 1049083458 /nfs/dbraw/zinc/08/34/58/1049083458.db2.gz MILYHYNCAVVREO-INIZCTEOSA-N 0 3 323.436 4.144 20 30 DIEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccn(-c2ccccc2)n1 ZINC001178939893 1049111474 /nfs/dbraw/zinc/11/14/74/1049111474.db2.gz XBAGACVFELCIKT-IBGZPJMESA-N 0 3 317.436 4.149 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(CC(F)(F)F)cc2)c1 ZINC001178949077 1049112485 /nfs/dbraw/zinc/11/24/85/1049112485.db2.gz CWWPAXFCJKDKDZ-UHFFFAOYSA-N 0 3 303.327 4.063 20 30 DIEDHN C=CCCC1(CNCc2ccn(-c3ccccc3)n2)CCCC1 ZINC001179143574 1049131742 /nfs/dbraw/zinc/13/17/42/1049131742.db2.gz ZJPZERCBCPCOQK-UHFFFAOYSA-N 0 3 309.457 4.489 20 30 DIEDHN C=CCOc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001204297100 1049133021 /nfs/dbraw/zinc/13/30/21/1049133021.db2.gz ASLJSUDRUWOYGY-UHFFFAOYSA-N 0 3 307.384 4.263 20 30 DIEDHN C=CCOc1ccc(CN(CC)Cc2cccc(OC)c2)cc1 ZINC001204303484 1049135024 /nfs/dbraw/zinc/13/50/24/1049135024.db2.gz KLPZQYXCBACGCW-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN CC(C)(NCc1ccc2scnc2c1)c1cccc(C#N)c1 ZINC001179139422 1049135402 /nfs/dbraw/zinc/13/54/02/1049135402.db2.gz GSRQOHCPSHRIBR-UHFFFAOYSA-N 0 3 307.422 4.193 20 30 DIEDHN Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1C ZINC001204352553 1049146409 /nfs/dbraw/zinc/14/64/09/1049146409.db2.gz CFFQJPMLBSULOV-UHFFFAOYSA-N 0 3 304.437 4.361 20 30 DIEDHN C[C@H]1CN(Cc2ccccc2C#N)CC[C@@]1(C)c1cccc(O)c1 ZINC001204372001 1049153512 /nfs/dbraw/zinc/15/35/12/1049153512.db2.gz ULCBXGQOABATDC-HRAATJIYSA-N 0 3 320.436 4.064 20 30 DIEDHN COc1ccc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)cc1F ZINC000158463822 1049155580 /nfs/dbraw/zinc/15/55/80/1049155580.db2.gz NHZHZMZCSVABPB-JTOQLSFASA-N 0 3 324.399 4.109 20 30 DIEDHN C=CCN(Cc1c2cc(C)ccc2[nH]c1C(=O)OCC)C(C)C ZINC001204440950 1049162232 /nfs/dbraw/zinc/16/22/32/1049162232.db2.gz AXNTVIJVVJXSRY-UHFFFAOYSA-N 0 3 314.429 4.049 20 30 DIEDHN Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1C#N ZINC001179562593 1049177477 /nfs/dbraw/zinc/17/74/77/1049177477.db2.gz HEDRRZNNWFZTSZ-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN Cc1cccc([C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001193325119 1049197623 /nfs/dbraw/zinc/19/76/23/1049197623.db2.gz ZWBHGTDKBMSUAI-IBGZPJMESA-N 0 3 309.840 4.489 20 30 DIEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001193508797 1049219339 /nfs/dbraw/zinc/21/93/39/1049219339.db2.gz SBYIWKDFGJQJET-AWEZNQCLSA-N 0 3 310.363 4.445 20 30 DIEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)cnc1F ZINC001204697134 1049230354 /nfs/dbraw/zinc/23/03/54/1049230354.db2.gz LPKCMUNZVHLZGV-UHFFFAOYSA-N 0 3 311.404 4.059 20 30 DIEDHN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484649 1049263561 /nfs/dbraw/zinc/26/35/61/1049263561.db2.gz XFENWBIZONEIRS-MGPUTAFESA-N 0 3 321.424 4.176 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582032 1049281410 /nfs/dbraw/zinc/28/14/10/1049281410.db2.gz LLMLEVXJESFWNS-MOPGFXCFSA-N 0 3 308.812 4.476 20 30 DIEDHN Cc1cc(CN(C)CCOc2ccccc2Cl)ccc1C#N ZINC001205109184 1049380201 /nfs/dbraw/zinc/38/02/01/1049380201.db2.gz YCBJKTODAYMQDR-UHFFFAOYSA-N 0 3 314.816 4.031 20 30 DIEDHN COc1cc(CN2CCC[C@@H]2c2ccc(C)cc2)ccc1C#N ZINC001205193769 1049409406 /nfs/dbraw/zinc/40/94/06/1049409406.db2.gz YDNFLXRQNOESMQ-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C#N)c(C)c1)[C@@H]2C ZINC001205353910 1049447216 /nfs/dbraw/zinc/44/72/16/1049447216.db2.gz PFZCBUCGFYPYJP-JKSUJKDBSA-N 0 3 320.436 4.383 20 30 DIEDHN CCN(Cc1ccccc1Br)C[C@@H](C)CCC#N ZINC001181162253 1049448219 /nfs/dbraw/zinc/44/82/19/1049448219.db2.gz FTDCEWBSFSMRFX-ZDUSSCGKSA-N 0 3 309.251 4.211 20 30 DIEDHN Cc1cc(C)c2c(c1)CN(Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000777218677 1049461114 /nfs/dbraw/zinc/46/11/14/1049461114.db2.gz FMDBBVKQGGEAOI-QGZVFWFLSA-N 0 3 320.436 4.153 20 30 DIEDHN CCN(Cc1ccc(Cl)cc1)Cc1ccc(F)c(C#N)c1 ZINC001205493665 1049486330 /nfs/dbraw/zinc/48/63/30/1049486330.db2.gz IHCOWMALNUNSNQ-UHFFFAOYSA-N 0 3 302.780 4.373 20 30 DIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N(C)C)cc1 ZINC000777249195 1049488280 /nfs/dbraw/zinc/48/82/80/1049488280.db2.gz JNYCBAUEJMFSPC-HXUWFJFHSA-N 0 3 319.452 4.354 20 30 DIEDHN C=CC[C@H]1CCN(Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862439993 1049494288 /nfs/dbraw/zinc/49/42/88/1049494288.db2.gz DAICSZCNKVHLOL-ZDUSSCGKSA-N 0 3 318.852 4.064 20 30 DIEDHN C#CCN(Cc1ccc2[nH]ccc2c1)[C@@H]1CCc2ccccc21 ZINC001205593733 1049506282 /nfs/dbraw/zinc/50/62/82/1049506282.db2.gz JEAFOCNQPYXFGF-OAQYLSRUSA-N 0 3 300.405 4.291 20 30 DIEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccc(OC(F)F)c1 ZINC000093492361 1049509065 /nfs/dbraw/zinc/50/90/65/1049509065.db2.gz STJVTTNNJQCZDF-SNVBAGLBSA-N 0 3 308.353 4.072 20 30 DIEDHN C#CC[C@H]1CCCN([C@H](C)c2ccccc2Br)C1 ZINC001195463195 1049529310 /nfs/dbraw/zinc/52/93/10/1049529310.db2.gz JABGUZNQKISRBZ-KGLIPLIRSA-N 0 3 306.247 4.245 20 30 DIEDHN C#CC[C@@H]1CCCN([C@@H](C)c2ccccc2Br)C1 ZINC001195463196 1049529713 /nfs/dbraw/zinc/52/97/13/1049529713.db2.gz JABGUZNQKISRBZ-UONOGXRCSA-N 0 3 306.247 4.245 20 30 DIEDHN C#C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ccc(F)cc1 ZINC001182020952 1049564637 /nfs/dbraw/zinc/56/46/37/1049564637.db2.gz RFVRULFNGJWUSD-FPCQFERPSA-N 0 3 315.338 4.314 20 30 DIEDHN C=CCCn1cc(CN(CCCC)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC001182072525 1049569599 /nfs/dbraw/zinc/56/95/99/1049569599.db2.gz PYXHIDKDIVHFBE-SJLPKXTDSA-N 0 3 304.482 4.035 20 30 DIEDHN C#C[C@H](N[C@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988665 1049621928 /nfs/dbraw/zinc/62/19/28/1049621928.db2.gz HUUGGKGOZZVHPN-HOTGVXAUSA-N 0 3 304.231 4.212 20 30 DIEDHN C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001196199370 1049628222 /nfs/dbraw/zinc/62/82/22/1049628222.db2.gz ZYDOPRUOYHTCQE-UHFFFAOYSA-N 0 3 311.347 4.223 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265852 1049639965 /nfs/dbraw/zinc/63/99/65/1049639965.db2.gz JLMRMMVRWHVBDO-WOJBJXKFSA-N 0 3 320.392 4.326 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001206094935 1049651404 /nfs/dbraw/zinc/65/14/04/1049651404.db2.gz ZXIFHFQUIWXSSQ-UHFFFAOYSA-N 0 3 319.408 4.307 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725957 1049670103 /nfs/dbraw/zinc/67/01/03/1049670103.db2.gz XVOYDCDJTLRGPM-RTBURBONSA-N 0 3 317.379 4.214 20 30 DIEDHN CC(C)c1ccccc1CN1CCc2c(CC#N)cccc2C1 ZINC001196623189 1049676421 /nfs/dbraw/zinc/67/64/21/1049676421.db2.gz OGADPNQTJYOZMZ-UHFFFAOYSA-N 0 3 304.437 4.434 20 30 DIEDHN Cc1cc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)ccc1C#N ZINC000488974929 1049715600 /nfs/dbraw/zinc/71/56/00/1049715600.db2.gz WFPVYBMCUBDUKY-OAHLLOKOSA-N 0 3 310.363 4.277 20 30 DIEDHN CCCCCCCCN1CCN(Cc2cccc(OC)c2)CC1 ZINC001197078579 1049720441 /nfs/dbraw/zinc/72/04/41/1049720441.db2.gz YAHQCSHREDFKGW-UHFFFAOYSA-N 0 3 318.505 4.173 20 30 DIEDHN Cc1cccc(CCN2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001207554836 1049908687 /nfs/dbraw/zinc/90/86/87/1049908687.db2.gz OWRLPVPODJBXCM-UHFFFAOYSA-N 0 3 322.427 4.234 20 30 DIEDHN N#Cc1ccc(F)c(CNC2CC(Sc3ccccc3)C2)c1 ZINC001207557147 1049909093 /nfs/dbraw/zinc/90/90/93/1049909093.db2.gz AQWIYAMYSQEIIU-UHFFFAOYSA-N 0 3 312.413 4.110 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC001207894761 1049950112 /nfs/dbraw/zinc/95/01/12/1049950112.db2.gz WKMPWVSYMXFFTM-LAUBAEHRSA-N 0 3 320.436 4.300 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000588203922 1049975467 /nfs/dbraw/zinc/97/54/67/1049975467.db2.gz YOWIYBMGUTZESS-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN CN1CC=C(Nc2cc(-c3ccc(F)cc3)sc2C#N)CC1 ZINC001208717335 1050005987 /nfs/dbraw/zinc/00/59/87/1050005987.db2.gz CEDIWBPHGVZJTC-UHFFFAOYSA-N 0 3 313.401 4.057 20 30 DIEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000588976795 1050015665 /nfs/dbraw/zinc/01/56/65/1050015665.db2.gz YHSWBZJHZZQJJF-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343252 1050028682 /nfs/dbraw/zinc/02/86/82/1050028682.db2.gz CSXOPJUYBJVKTD-JLTOFOAXSA-N 0 3 313.404 4.445 20 30 DIEDHN C=CCCCCCN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001209427583 1050057617 /nfs/dbraw/zinc/05/76/17/1050057617.db2.gz UKQWUSLABNVJLY-LBPRGKRZSA-N 0 3 317.355 4.014 20 30 DIEDHN C#CCN(Cc1ccc2cc[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC001209512299 1050064596 /nfs/dbraw/zinc/06/45/96/1050064596.db2.gz GRANNWBXLCUASX-OAQYLSRUSA-N 0 3 300.405 4.291 20 30 DIEDHN N#CC1(c2ccccc2)CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001209506979 1050064869 /nfs/dbraw/zinc/06/48/69/1050064869.db2.gz AOIMVNZTXJRWCP-UHFFFAOYSA-N 0 3 315.420 4.225 20 30 DIEDHN C=C(C)COc1cc(CNCc2cccc(F)c2)ccc1OC ZINC000057960739 1050135215 /nfs/dbraw/zinc/13/52/15/1050135215.db2.gz NYYAWPSUEZEDNQ-UHFFFAOYSA-N 0 3 315.388 4.079 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000824469076 1050218747 /nfs/dbraw/zinc/21/87/47/1050218747.db2.gz WBZIPBIDOUBKLU-XOBRGWDASA-N 0 3 324.399 4.284 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC2(CCCC2)O1 ZINC000592193760 1050275929 /nfs/dbraw/zinc/27/59/29/1050275929.db2.gz MXJFTNNKRJNCDP-MRXNPFEDSA-N 0 3 312.457 4.021 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NC1(c3cccc(F)c3)CCC1)CC2 ZINC000592395267 1050295217 /nfs/dbraw/zinc/29/52/17/1050295217.db2.gz VJIRAEMHJUPDJL-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN N#CC[C@H]1CCCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084452 1050299165 /nfs/dbraw/zinc/29/91/65/1050299165.db2.gz ZAEMRAKLDLGZQD-DOMZBBRYSA-N 0 3 323.267 4.476 20 30 DIEDHN CC1(C#N)CCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171088506 1050307486 /nfs/dbraw/zinc/30/74/86/1050307486.db2.gz VZVIGKLBYQTVGQ-CQSZACIVSA-N 0 3 323.267 4.476 20 30 DIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000093492062 1050328581 /nfs/dbraw/zinc/32/85/81/1050328581.db2.gz AXBGBXJXOHEBAZ-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN N#CC1(CCN2CCC3(CC2)C(F)(F)C3(F)F)CCCCC1 ZINC000593059106 1050361269 /nfs/dbraw/zinc/36/12/69/1050361269.db2.gz RJRRKBCXRFOZJU-UHFFFAOYSA-N 0 3 318.358 4.217 20 30 DIEDHN CSC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000574089444 1050372117 /nfs/dbraw/zinc/37/21/17/1050372117.db2.gz GCJJZZVPYHZSJE-IAGOWNOFSA-N 0 3 300.471 4.044 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@H]1C1CCC1 ZINC000735309974 1050372618 /nfs/dbraw/zinc/37/26/18/1050372618.db2.gz XPNOBQKTKCEUCO-INIZCTEOSA-N 0 3 304.821 4.007 20 30 DIEDHN CC1(C)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673732 1050434515 /nfs/dbraw/zinc/43/45/15/1050434515.db2.gz IMHVKGODMRYFQG-BJJXKVORSA-N 0 3 302.393 4.100 20 30 DIEDHN N#CCOc1ccc(CN2CCCCC[C@H]2c2ccco2)cc1 ZINC000736623717 1050485715 /nfs/dbraw/zinc/48/57/15/1050485715.db2.gz PLDPPXAQKTXGAR-SFHVURJKSA-N 0 3 310.397 4.299 20 30 DIEDHN C=CCOc1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000736642376 1050485995 /nfs/dbraw/zinc/48/59/95/1050485995.db2.gz VHKCLHSTVHJYKD-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000594493893 1050516502 /nfs/dbraw/zinc/51/65/02/1050516502.db2.gz AAZHIOHFGLWMAF-UHFFFAOYSA-N 0 3 304.846 4.492 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000594503560 1050521374 /nfs/dbraw/zinc/52/13/74/1050521374.db2.gz ZKOAGTMDAOULTM-IBGZPJMESA-N 0 3 320.436 4.491 20 30 DIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000594518272 1050527587 /nfs/dbraw/zinc/52/75/87/1050527587.db2.gz FWMBZLWMKLNEKN-UHFFFAOYSA-N 0 3 323.827 4.303 20 30 DIEDHN COc1cc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)ccc1F ZINC000594519085 1050528339 /nfs/dbraw/zinc/52/83/39/1050528339.db2.gz SUTYQKABNSRGIK-AWEZNQCLSA-N 0 3 324.399 4.436 20 30 DIEDHN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000594606885 1050540383 /nfs/dbraw/zinc/54/03/83/1050540383.db2.gz MQMFQYHMGYDZPQ-MRXNPFEDSA-N 0 3 307.441 4.466 20 30 DIEDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2[O-] ZINC000787025389 1050540704 /nfs/dbraw/zinc/54/07/04/1050540704.db2.gz GHEQWRJHKSJDAK-ZTFRIQLXSA-N 0 3 322.383 4.228 20 30 DIEDHN N#CC[C@H]1CCCN([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160946 1050544980 /nfs/dbraw/zinc/54/49/80/1050544980.db2.gz CRRBAPZEYHGJKO-IUODEOHRSA-N 0 3 323.267 4.476 20 30 DIEDHN CSc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594918787 1050563374 /nfs/dbraw/zinc/56/33/74/1050563374.db2.gz SJWFKQVNHYGWLW-UHFFFAOYSA-N 0 3 308.450 4.253 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc3ccccc3c2)no1 ZINC001211436456 1050566033 /nfs/dbraw/zinc/56/60/33/1050566033.db2.gz LVVWVAQCQPRUCQ-UHFFFAOYSA-N 0 3 319.408 4.389 20 30 DIEDHN N#CC1(c2ccc(CNCc3coc4ccccc34)cc2)CC1 ZINC000594924892 1050566249 /nfs/dbraw/zinc/56/62/49/1050566249.db2.gz OJJQAAUUGIMYMZ-UHFFFAOYSA-N 0 3 302.377 4.278 20 30 DIEDHN N#CC1(c2ccc(CNCc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000594926989 1050567005 /nfs/dbraw/zinc/56/70/05/1050567005.db2.gz QAUKGPOHVULSLV-UHFFFAOYSA-N 0 3 314.791 4.324 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(Cl)cc2C)no1 ZINC001211436114 1050567051 /nfs/dbraw/zinc/56/70/51/1050567051.db2.gz BEBOMSQGTGNECN-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=CCN(Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1 ZINC001144416088 1050569659 /nfs/dbraw/zinc/56/96/59/1050569659.db2.gz WKNAFKZDOZEVIM-UHFFFAOYSA-N 0 3 311.816 4.405 20 30 DIEDHN CC(C)(NCc1ccc(OCC2CC2)cc1)c1cccc(C#N)c1 ZINC000594970109 1050573211 /nfs/dbraw/zinc/57/32/11/1050573211.db2.gz TYJAWOPWCXWNLY-UHFFFAOYSA-N 0 3 320.436 4.372 20 30 DIEDHN Cc1cccc2[nH]c(CNC3(c4cccc(C#N)c4)CC3)cc21 ZINC000594954856 1050581785 /nfs/dbraw/zinc/58/17/85/1050581785.db2.gz LMNOGKQIFMIQQE-UHFFFAOYSA-N 0 3 301.393 4.127 20 30 DIEDHN Cc1cccc2[nH]c(CNC(C)(C)c3cccc(C#N)c3)cc21 ZINC000594966741 1050583235 /nfs/dbraw/zinc/58/32/35/1050583235.db2.gz ADGQXUZISWINBF-UHFFFAOYSA-N 0 3 303.409 4.373 20 30 DIEDHN N=C(Nc1ccc2ccncc2c1)c1ccc2cc(O)ccc2c1 ZINC001171183906 1050584594 /nfs/dbraw/zinc/58/45/94/1050584594.db2.gz BMZWYNHMRIPKAY-UHFFFAOYSA-N 0 3 313.360 4.131 20 30 DIEDHN N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccccc3[O-])c2)s1 ZINC000740011625 1050593565 /nfs/dbraw/zinc/59/35/65/1050593565.db2.gz PDGCBGIYOKHZHX-UHFFFAOYSA-N 0 3 320.417 4.282 20 30 DIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045556 1050600943 /nfs/dbraw/zinc/60/09/43/1050600943.db2.gz NTGVLBGOICBSBS-PXAZEXFGSA-N 0 3 303.365 4.038 20 30 DIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049044 1050601351 /nfs/dbraw/zinc/60/13/51/1050601351.db2.gz TZYVUUJJASAFCH-ZBEGNZNMSA-N 0 3 313.351 4.229 20 30 DIEDHN C[C@H](O)[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103951 1050608279 /nfs/dbraw/zinc/60/82/79/1050608279.db2.gz PKUKXRHPJNWSFD-IWMITWMQSA-N 0 3 320.436 4.037 20 30 DIEDHN CC[C@H](N[C@@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097203 1050614345 /nfs/dbraw/zinc/61/43/45/1050614345.db2.gz SNYUJCZYWWUQLP-PCCBWWKXSA-N 0 3 322.452 4.357 20 30 DIEDHN C#CCC1(c2nc(-c3ccc(CN(C)C)cc3)no2)CCCCC1 ZINC000788103398 1050647288 /nfs/dbraw/zinc/64/72/88/1050647288.db2.gz UWPDXSASCVNUFY-UHFFFAOYSA-N 0 3 323.440 4.023 20 30 DIEDHN C[C@H](c1ccc(CN2CCC[C@@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623974 1050653506 /nfs/dbraw/zinc/65/35/06/1050653506.db2.gz ZUTGHANFRBJMLZ-KGLIPLIRSA-N 0 3 310.363 4.478 20 30 DIEDHN COc1cccc(C2(NCc3ccc(C#N)cc3C)CCC2)c1 ZINC000595847904 1050672749 /nfs/dbraw/zinc/67/27/49/1050672749.db2.gz IRZHJHWIDORILN-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN CC(C)Oc1ccc2nccc(N3CCC[C@H](CC#N)C3)c2c1 ZINC000596326389 1050706665 /nfs/dbraw/zinc/70/66/65/1050706665.db2.gz SVYUBTPVGPEDKW-OAHLLOKOSA-N 0 3 309.413 4.152 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2cc(Cl)ccc2C1 ZINC001171222373 1050714850 /nfs/dbraw/zinc/71/48/50/1050714850.db2.gz GPSFWAMEJOCHMU-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2cccc(Cl)c2C1 ZINC001171228060 1050721711 /nfs/dbraw/zinc/72/17/11/1050721711.db2.gz DPFNFWMMCGBUPI-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN N#CC1(c2ccc(CN3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000596977752 1050792498 /nfs/dbraw/zinc/79/24/98/1050792498.db2.gz ONYQWSDMJTYOPE-HNNXBMFYSA-N 0 3 308.347 4.016 20 30 DIEDHN C[C@H](N[C@@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958314 1050792604 /nfs/dbraw/zinc/79/26/04/1050792604.db2.gz FCBSMGUVBJSZTL-IFXJQAMLSA-N 0 3 324.449 4.228 20 30 DIEDHN N#CC1(c2ccc(CN3CC(Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000597147216 1050811977 /nfs/dbraw/zinc/81/19/77/1050811977.db2.gz SCJQEMDISSPUMW-UHFFFAOYSA-N 0 3 320.411 4.055 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597162296 1050814419 /nfs/dbraw/zinc/81/44/19/1050814419.db2.gz VTYFOFYZFXUAPV-MRXNPFEDSA-N 0 3 315.420 4.306 20 30 DIEDHN CC[C@@H](Cc1ccc(Br)cc1)NCC1(C#N)CCC1 ZINC000597154444 1050816265 /nfs/dbraw/zinc/81/62/65/1050816265.db2.gz QOQBZQTXJMVOLM-HNNXBMFYSA-N 0 3 321.262 4.054 20 30 DIEDHN COc1cc(-c2ccccc2)ccc1CN1CCC[C@H](CC#N)C1 ZINC000597177983 1050821634 /nfs/dbraw/zinc/82/16/34/1050821634.db2.gz SYXPVJHUELYMER-QGZVFWFLSA-N 0 3 320.436 4.488 20 30 DIEDHN COc1cc(-c2ccccc2)ccc1CN1CCC[C@@H](CC#N)C1 ZINC000597177982 1050821714 /nfs/dbraw/zinc/82/17/14/1050821714.db2.gz SYXPVJHUELYMER-KRWDZBQOSA-N 0 3 320.436 4.488 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000772988920 1050934643 /nfs/dbraw/zinc/93/46/43/1050934643.db2.gz UAVFPHUGAVLIGN-QGZVFWFLSA-N 0 3 322.452 4.006 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](CCC)c1ccc(OC)cc1 ZINC000772988966 1050934930 /nfs/dbraw/zinc/93/49/30/1050934930.db2.gz VBNQLOMDKXXJCG-HXUWFJFHSA-N 0 3 323.436 4.338 20 30 DIEDHN C=CCOc1ccc(C(=O)NCCP(C(C)C)C(C)C)cc1 ZINC001148469927 1050944019 /nfs/dbraw/zinc/94/40/19/1050944019.db2.gz BBHFCRLDJPWWGD-UHFFFAOYSA-N 0 3 321.401 4.280 20 30 DIEDHN C=CCN(Cc1cccs1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743257951 1051002631 /nfs/dbraw/zinc/00/26/31/1051002631.db2.gz JTAHBFGFTZMHKF-SFHVURJKSA-N 0 3 301.455 4.087 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)c1c(F)cccc1F ZINC000791569067 1051058885 /nfs/dbraw/zinc/05/88/85/1051058885.db2.gz RMRKQHMZFVEBQK-SFHVURJKSA-N 0 3 317.379 4.077 20 30 DIEDHN C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743857955 1051080760 /nfs/dbraw/zinc/08/07/60/1051080760.db2.gz YQSWNFNTUUTSCQ-MGPUTAFESA-N 0 3 324.399 4.311 20 30 DIEDHN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(OCC#N)cc2)o1 ZINC000743872202 1051086568 /nfs/dbraw/zinc/08/65/68/1051086568.db2.gz QRSIZXCIHXJROS-DNVCBOLYSA-N 0 3 324.424 4.464 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H](c2ccco2)C1 ZINC000743876395 1051088934 /nfs/dbraw/zinc/08/89/34/1051088934.db2.gz ZNCPVVFKAYXWFD-QAPCUYQASA-N 0 3 310.397 4.155 20 30 DIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CCC)cc1 ZINC000744029819 1051094290 /nfs/dbraw/zinc/09/42/90/1051094290.db2.gz WPHCXXVOAFCPTA-RHSMWYFYSA-N 0 3 314.429 4.113 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000744041252 1051101708 /nfs/dbraw/zinc/10/17/08/1051101708.db2.gz VJBNBQMNLXAYRN-SMDDNHRTSA-N 0 3 324.767 4.461 20 30 DIEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000744033128 1051102123 /nfs/dbraw/zinc/10/21/23/1051102123.db2.gz NJLOCAWSOWKLNK-GRDNDAEWSA-N 0 3 314.429 4.284 20 30 DIEDHN C[C@@H](Cc1ccccc1Cl)NC(=N)c1ccc2ccccc2n1 ZINC001170257197 1051164546 /nfs/dbraw/zinc/16/45/46/1051164546.db2.gz VOWHEWORZOPQGC-ZDUSSCGKSA-N 0 3 323.827 4.225 20 30 DIEDHN COCC#CCN[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001171799387 1051222637 /nfs/dbraw/zinc/22/26/37/1051222637.db2.gz OPWBBHGQJNOSDD-MSOLQXFVSA-N 0 3 323.436 4.127 20 30 DIEDHN CC(C)CN(CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000792927705 1051232031 /nfs/dbraw/zinc/23/20/31/1051232031.db2.gz RXIOIKVHHWKXIG-GJZGRUSLSA-N 0 3 308.853 4.288 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000793305666 1051278165 /nfs/dbraw/zinc/27/81/65/1051278165.db2.gz UHLVGLZYWUAELL-OAQYLSRUSA-N 0 3 323.411 4.395 20 30 DIEDHN Cc1cc(C#N)cc(C)c1Nc1cccc2c1OCC[C@@H]2N(C)C ZINC001215648512 1051286909 /nfs/dbraw/zinc/28/69/09/1051286909.db2.gz VKRMMNBQKIZIIU-SFHVURJKSA-N 0 3 321.424 4.304 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2cc(Cl)ccc2C1 ZINC001172318809 1051339350 /nfs/dbraw/zinc/33/93/50/1051339350.db2.gz JFDGDKBWJDCDEH-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](C)c1c(F)cccc1F ZINC001172296244 1051349711 /nfs/dbraw/zinc/34/97/11/1051349711.db2.gz GVZZGJFLCMOPSA-OLZOCXBDSA-N 0 3 300.352 4.118 20 30 DIEDHN CCO[C@@H](CC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])C(C)C ZINC000746393359 1051395215 /nfs/dbraw/zinc/39/52/15/1051395215.db2.gz KCMDZIHILPAUNK-XPFMCRKWSA-N 0 3 320.477 4.109 20 30 DIEDHN CCO[C@@H](CC/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])C(C)C ZINC000746393358 1051395627 /nfs/dbraw/zinc/39/56/27/1051395627.db2.gz KCMDZIHILPAUNK-QIYXJHPLSA-N 0 3 320.477 4.109 20 30 DIEDHN CCO[C@H](CC/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])C(C)C ZINC000746393355 1051396611 /nfs/dbraw/zinc/39/66/11/1051396611.db2.gz KCMDZIHILPAUNK-HZQOKBKYSA-N 0 3 320.477 4.109 20 30 DIEDHN C[C@H](CCCC#N)N(C)Cc1cccc(Br)c1F ZINC001172503046 1051422678 /nfs/dbraw/zinc/42/26/78/1051422678.db2.gz XXXWRUXUBQIPRJ-LLVKDONJSA-N 0 3 313.214 4.102 20 30 DIEDHN CCCCCCCC[C@H](CC)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001172503668 1051422197 /nfs/dbraw/zinc/42/21/97/1051422197.db2.gz ZNGGJKMIGJQJEM-IRXDYDNUSA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCCC[C@@H](CC)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001172503669 1051422786 /nfs/dbraw/zinc/42/27/86/1051422786.db2.gz ZNGGJKMIGJQJEM-SJORKVTESA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCC[C@@H](CCC)NCc1cc2n(n1)CCCO2 ZINC001172508935 1051426623 /nfs/dbraw/zinc/42/66/23/1051426623.db2.gz RDLRMOMMZSGJFV-MRXNPFEDSA-N 0 3 307.482 4.284 20 30 DIEDHN CCCCCCC[C@H](CCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172509455 1051426774 /nfs/dbraw/zinc/42/67/74/1051426774.db2.gz WZKWEBDQLAYBLQ-JYJNAYRXSA-N 0 3 300.487 4.025 20 30 DIEDHN C#CCOc1ccccc1CN[C@H]1CCCc2cc(F)ccc21 ZINC000766492919 1051432765 /nfs/dbraw/zinc/43/27/65/1051432765.db2.gz ZEMSAKOLDWITDG-IBGZPJMESA-N 0 3 309.384 4.005 20 30 DIEDHN C[C@@H](CSc1ccc(Cl)cc1)NCc1ccc(C#N)o1 ZINC001172879246 1051562123 /nfs/dbraw/zinc/56/21/23/1051562123.db2.gz MSXZBRRKJLCPEZ-NSHDSACASA-N 0 3 306.818 4.075 20 30 DIEDHN Cn1cccc1[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000178510140 1051577198 /nfs/dbraw/zinc/57/71/98/1051577198.db2.gz HNVJUSOPDZXAIT-IBGZPJMESA-N 0 3 307.441 4.163 20 30 DIEDHN Cc1nc2ccc(N[C@@](C)(C#N)c3ccccc3Cl)cc2[nH]1 ZINC001169380360 1051598513 /nfs/dbraw/zinc/59/85/13/1051598513.db2.gz AHKPRLAWVMISJE-KRWDZBQOSA-N 0 3 310.788 4.376 20 30 DIEDHN C=C(C)[C@@H](NCC[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC001169475035 1051627520 /nfs/dbraw/zinc/62/75/20/1051627520.db2.gz XIWZVZUPAKWHKL-RTBURBONSA-N 0 3 317.379 4.295 20 30 DIEDHN C[C@H](CC(c1ccccc1)c1ccccc1)NCC1(C#N)CC1 ZINC001173212331 1051649544 /nfs/dbraw/zinc/64/95/44/1051649544.db2.gz WPEJQHJXLKZZDI-QGZVFWFLSA-N 0 3 304.437 4.490 20 30 DIEDHN CN1CCCC[C@@H]1c1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169747821 1051686024 /nfs/dbraw/zinc/68/60/24/1051686024.db2.gz GCUMQUAGVNYJJA-QHGAOEGBSA-N 0 3 324.472 4.267 20 30 DIEDHN C=CCOC1CCC(N(C)Cc2nc3ccccc3s2)CC1 ZINC001173321774 1051693357 /nfs/dbraw/zinc/69/33/57/1051693357.db2.gz OWIYBBRWKLNZES-UHFFFAOYSA-N 0 3 316.470 4.242 20 30 DIEDHN N#CCC1CCC(N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173331001 1051697008 /nfs/dbraw/zinc/69/70/08/1051697008.db2.gz JIEZIYAOASVEAN-CNBHCMJISA-N 0 3 319.452 4.366 20 30 DIEDHN N#CCC1CCC(N2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173338834 1051699563 /nfs/dbraw/zinc/69/95/63/1051699563.db2.gz JDCFJQHHIWFWNS-UYJHFMRCSA-N 0 3 318.461 4.388 20 30 DIEDHN Cc1ccc([C@H]2C[C@H](C)N(Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853657 1051715201 /nfs/dbraw/zinc/71/52/01/1051715201.db2.gz GOUMYNMABSSAAJ-KXBFYZLASA-N 0 3 308.400 4.384 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC(c2cccc(F)c2)CC1 ZINC000766905412 1051741514 /nfs/dbraw/zinc/74/15/14/1051741514.db2.gz LUDMINCZHSYUID-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN Cc1ccc([C@]2(C)CN(C3CCC(C)(C#N)CC3)CCO2)cc1 ZINC001173597681 1051757025 /nfs/dbraw/zinc/75/70/25/1051757025.db2.gz DKZXEDNCJKBPFA-MHJFOBGBSA-N 0 3 312.457 4.015 20 30 DIEDHN CC1(C#N)CCC(N2Cc3cccc(Br)c3C2)CC1 ZINC001173599923 1051757687 /nfs/dbraw/zinc/75/76/87/1051757687.db2.gz SZFYQXYLKZZHEN-UHFFFAOYSA-N 0 3 319.246 4.237 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806166848 1051766718 /nfs/dbraw/zinc/76/67/18/1051766718.db2.gz YIAUMUNKUBHZJA-MRXNPFEDSA-N 0 3 314.816 4.077 20 30 DIEDHN C=CCSCCN[C@@H](C)c1ccc(Br)cc1F ZINC000219184125 1051774177 /nfs/dbraw/zinc/77/41/77/1051774177.db2.gz KCSXTPCAJWXUQB-JTQLQIEISA-N 0 3 318.255 4.158 20 30 DIEDHN Cc1nc2ccc(CN[C@H](C)c3ccc(C#N)cc3)cc2s1 ZINC000494308232 1051873925 /nfs/dbraw/zinc/87/39/25/1051873925.db2.gz HBGBJKGORPQWJI-GFCCVEGCSA-N 0 3 307.422 4.327 20 30 DIEDHN CN(C)Cc1ccccc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001173932124 1051904265 /nfs/dbraw/zinc/90/42/65/1051904265.db2.gz OGYPCGXVQYBNHS-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000768225266 1051905014 /nfs/dbraw/zinc/90/50/14/1051905014.db2.gz GDIUOKPNIUAUHA-YWZLYKJASA-N 0 3 324.399 4.454 20 30 DIEDHN CCCCCCCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439050 1051931336 /nfs/dbraw/zinc/93/13/36/1051931336.db2.gz DLFTWURZRNRFMF-SFHVURJKSA-N 0 3 321.461 4.000 20 30 DIEDHN CCCCCCCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439050 1051931351 /nfs/dbraw/zinc/93/13/51/1051931351.db2.gz DLFTWURZRNRFMF-SFHVURJKSA-N 0 3 321.461 4.000 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768549749 1051942037 /nfs/dbraw/zinc/94/20/37/1051942037.db2.gz CYYOQEVYOKLOSS-UHFFFAOYSA-N 0 3 319.452 4.225 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3C(C)(C)C2)cc1 ZINC000769427763 1052046956 /nfs/dbraw/zinc/04/69/56/1052046956.db2.gz WYKQYUXVQDMHDX-INIZCTEOSA-N 0 3 320.436 4.271 20 30 DIEDHN C#CCCOc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1 ZINC000769537660 1052077833 /nfs/dbraw/zinc/07/78/33/1052077833.db2.gz ODAHEFPPBKNZQA-NRFANRHFSA-N 0 3 322.452 4.154 20 30 DIEDHN CCCCCCCC(=O)c1ccc(O[C@@H]2CCNC[C@@H]2F)cc1 ZINC001218066525 1052192709 /nfs/dbraw/zinc/19/27/09/1052192709.db2.gz LTFUDMVEXUTMGI-PKOBYXMFSA-N 0 3 321.436 4.309 20 30 DIEDHN N#Cc1cc(Cl)c(O[C@H]2CNCc3ccccc32)c(Cl)c1 ZINC001218485293 1052246359 /nfs/dbraw/zinc/24/63/59/1052246359.db2.gz GYRLHWAYNULUKY-HNNXBMFYSA-N 0 3 319.191 4.088 20 30 DIEDHN C=CCOc1ccc(CNCc2ccnc(SCC)c2)cc1 ZINC000495178911 1052248129 /nfs/dbraw/zinc/24/81/29/1052248129.db2.gz WJRIKRWRKRVPAG-UHFFFAOYSA-N 0 3 314.454 4.048 20 30 DIEDHN CCCCCCC[C@H](C)C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710649 1052254313 /nfs/dbraw/zinc/25/43/13/1052254313.db2.gz GTWIRKYRPIOETC-UONOGXRCSA-N 0 3 307.438 4.034 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(C)nc2sccc21 ZINC001218759656 1052256050 /nfs/dbraw/zinc/25/60/50/1052256050.db2.gz NNPAQIFWIWRFLM-AWEZNQCLSA-N 0 3 317.458 4.007 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(OC(C)C)ccc1C ZINC001218970167 1052265511 /nfs/dbraw/zinc/26/55/11/1052265511.db2.gz NIORIZOJQKIIKX-KRWDZBQOSA-N 0 3 318.461 4.185 20 30 DIEDHN CCN(Cc1cccc(C#N)c1F)[C@@H](C)Cc1ccsc1 ZINC000495262269 1052278672 /nfs/dbraw/zinc/27/86/72/1052278672.db2.gz OPOPSORLZPMXTL-ZDUSSCGKSA-N 0 3 302.418 4.212 20 30 DIEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814054 1052284424 /nfs/dbraw/zinc/28/44/24/1052284424.db2.gz HALRFQWGZVNJNR-MLGOLLRUSA-N 0 3 321.262 4.331 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000915113165 1052351372 /nfs/dbraw/zinc/35/13/72/1052351372.db2.gz PLRSQNARSQSJAT-WXUSHSQQSA-N 0 3 321.424 4.290 20 30 DIEDHN CCCCCCC[C@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000315889944 1052355835 /nfs/dbraw/zinc/35/58/35/1052355835.db2.gz PMRFMMPWNGECOY-JKSUJKDBSA-N 0 3 306.498 4.404 20 30 DIEDHN C[C@H](NCc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000387193288 1052493450 /nfs/dbraw/zinc/49/34/50/1052493450.db2.gz HGVIQULCAPGRJM-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN Cc1cc(CN[C@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000488067143 1052572625 /nfs/dbraw/zinc/57/26/25/1052572625.db2.gz PORWUUWFQHGJIY-CYBMUJFWSA-N 0 3 307.422 4.327 20 30 DIEDHN Cc1cc(CN2CCC[C@@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488159820 1052629897 /nfs/dbraw/zinc/62/98/97/1052629897.db2.gz QYCBGNGWWPSOEQ-HXUWFJFHSA-N 0 3 318.420 4.104 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000066236827 1052686719 /nfs/dbraw/zinc/68/67/19/1052686719.db2.gz AXUVZNQTXRWQDA-AWEZNQCLSA-N 0 3 315.388 4.250 20 30 DIEDHN C=CCCCCCCO[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001224360131 1052691465 /nfs/dbraw/zinc/69/14/65/1052691465.db2.gz NLLOPFIBTJIGJI-QZTJIDSGSA-N 0 3 302.462 4.370 20 30 DIEDHN C=CCCCCCO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224428305 1052696041 /nfs/dbraw/zinc/69/60/41/1052696041.db2.gz UTKBKJFWJDNIDM-ROUUACIJSA-N 0 3 302.462 4.370 20 30 DIEDHN C=CCCCCCO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224428306 1052696330 /nfs/dbraw/zinc/69/63/30/1052696330.db2.gz UTKBKJFWJDNIDM-ZWKOTPCHSA-N 0 3 302.462 4.370 20 30 DIEDHN C=C[C@@H](CC)OC[C@@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001225152597 1052750414 /nfs/dbraw/zinc/75/04/14/1052750414.db2.gz WXCLQBUCYNFNHF-AZUAARDMSA-N 0 3 317.473 4.037 20 30 DIEDHN CCCCCCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000919698946 1052882819 /nfs/dbraw/zinc/88/28/19/1052882819.db2.gz FQBVJRNBCBYIEJ-UHFFFAOYSA-N 0 3 310.526 4.316 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000919762323 1052887755 /nfs/dbraw/zinc/88/77/55/1052887755.db2.gz IKJDBOPPCUOYTE-IEBWSBKVSA-N 0 3 316.489 4.299 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2cccs2)c([O-])c1 ZINC000920943986 1052956137 /nfs/dbraw/zinc/95/61/37/1052956137.db2.gz GHTZNXIEFVSPOH-RNEAKCBISA-N 0 3 302.443 4.480 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000615440001 1053017194 /nfs/dbraw/zinc/01/71/94/1053017194.db2.gz AQZQGQAQMNRYJK-OXQOHEQNSA-N 0 3 306.409 4.083 20 30 DIEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000179770163 1053026159 /nfs/dbraw/zinc/02/61/59/1053026159.db2.gz DVWNBFQKJJLAPG-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000180739340 1053083492 /nfs/dbraw/zinc/08/34/92/1053083492.db2.gz SQMOZPYHQVBUBK-YJBOKZPZSA-N 0 3 324.424 4.041 20 30 DIEDHN Cc1nc2ccc(CN[C@@H](C)c3cccc(C#N)c3)cc2s1 ZINC000617263861 1053118873 /nfs/dbraw/zinc/11/88/73/1053118873.db2.gz HCTNRQBWJJAOFH-LBPRGKRZSA-N 0 3 307.422 4.327 20 30 DIEDHN CCN1CC[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228542046 1053129335 /nfs/dbraw/zinc/12/93/35/1053129335.db2.gz BZISNCAIFBCSKV-JXOMPUQVSA-N 0 3 321.420 4.056 20 30 DIEDHN N#Cc1cncc(CN[C@H](CC2CCCC2)c2ccccc2)c1 ZINC001351177971 1053145418 /nfs/dbraw/zinc/14/54/18/1053145418.db2.gz XAAWPAIMKLIANE-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN C[C@@H](Cc1cccc(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000069285825 1053153006 /nfs/dbraw/zinc/15/30/06/1053153006.db2.gz ULRNSIOPLVHASK-SWLSCSKDSA-N 0 3 322.339 4.022 20 30 DIEDHN C=CCc1ccccc1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001228846101 1053192415 /nfs/dbraw/zinc/19/24/15/1053192415.db2.gz IDYPFMWXTAJADV-FUHWJXTLSA-N 0 3 308.425 4.024 20 30 DIEDHN Cc1cnc(C2CCN(Cc3ccc(C#N)cc3C)CC2)s1 ZINC000617908105 1053207619 /nfs/dbraw/zinc/20/76/19/1053207619.db2.gz BCVPNEQKIZLJDP-UHFFFAOYSA-N 0 3 311.454 4.011 20 30 DIEDHN C=C[C@@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319838861 1053279352 /nfs/dbraw/zinc/27/93/52/1053279352.db2.gz SITRTNDMXQVJJN-SNVBAGLBSA-N 0 3 306.749 4.172 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001320038922 1053298623 /nfs/dbraw/zinc/29/86/23/1053298623.db2.gz GAYXDUNGWKZNQM-NRFANRHFSA-N 0 3 323.436 4.043 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001320087278 1053301887 /nfs/dbraw/zinc/30/18/87/1053301887.db2.gz XDKKRPIZAVHSFT-ZDUSSCGKSA-N 0 3 317.376 4.075 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001320091973 1053304687 /nfs/dbraw/zinc/30/46/87/1053304687.db2.gz QGSSZFDOPPJRFO-HXUWFJFHSA-N 0 3 323.436 4.043 20 30 DIEDHN CCN1CC[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229428153 1053317600 /nfs/dbraw/zinc/31/76/00/1053317600.db2.gz IDPPLRVHZXLUFB-VPLQDYMCSA-N 0 3 321.420 4.056 20 30 DIEDHN CCN1CC[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229428152 1053318537 /nfs/dbraw/zinc/31/85/37/1053318537.db2.gz IDPPLRVHZXLUFB-LOJRPPCJSA-N 0 3 321.420 4.056 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCCOc3ccccc32)C1 ZINC001320689548 1053355809 /nfs/dbraw/zinc/35/58/09/1053355809.db2.gz DMQMBHRZXZCPIW-BIXGBWIQSA-N 0 3 318.420 4.114 20 30 DIEDHN CCCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742693 1053357127 /nfs/dbraw/zinc/35/71/27/1053357127.db2.gz PNBZFHWFNWUJSC-HXUWFJFHSA-N 0 3 306.409 4.124 20 30 DIEDHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618804754 1053370704 /nfs/dbraw/zinc/37/07/04/1053370704.db2.gz LTVRXZHLOIPYSU-IFXJQAMLSA-N 0 3 306.409 4.213 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC001320967434 1053377891 /nfs/dbraw/zinc/37/78/91/1053377891.db2.gz HAUKDBCWOQBFOX-CYBMUJFWSA-N 0 3 319.351 4.002 20 30 DIEDHN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccccc2CN(C)C)O1 ZINC001229700269 1053387539 /nfs/dbraw/zinc/38/75/39/1053387539.db2.gz WXNBTCMWNJHCGZ-PKOBYXMFSA-N 0 3 303.446 4.029 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC001321240721 1053403639 /nfs/dbraw/zinc/40/36/39/1053403639.db2.gz GAAASJNZKUDANJ-STQMWFEESA-N 0 3 305.418 4.406 20 30 DIEDHN CC(C)Oc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748646 1053554018 /nfs/dbraw/zinc/55/40/18/1053554018.db2.gz PTKLZHGECAEGPJ-UHFFFAOYSA-N 0 3 314.816 4.289 20 30 DIEDHN CC(C)Oc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748627 1053554222 /nfs/dbraw/zinc/55/42/22/1053554222.db2.gz KGHWEGPOKHXIGO-UHFFFAOYSA-N 0 3 314.816 4.289 20 30 DIEDHN Cc1ccc2nccc(NCc3ccc(C#N)c(Cl)c3)c2c1 ZINC000619747339 1053555038 /nfs/dbraw/zinc/55/50/38/1053555038.db2.gz VPRNPYIKRZJJDZ-UHFFFAOYSA-N 0 3 307.784 4.102 20 30 DIEDHN CC(C)(C#N)CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000619845209 1053565682 /nfs/dbraw/zinc/56/56/82/1053565682.db2.gz AMNCDVXKXCQQIT-UHFFFAOYSA-N 0 3 314.379 4.236 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021192 1053617929 /nfs/dbraw/zinc/61/79/29/1053617929.db2.gz HEDJYHKYPBVTAC-BBRMVZONSA-N 0 3 316.470 4.279 20 30 DIEDHN C=CCc1cccc(O[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)c1 ZINC001231010029 1053649490 /nfs/dbraw/zinc/64/94/90/1053649490.db2.gz NEGAFUOZMAWNCQ-FXAWDEMLSA-N 0 3 322.452 4.415 20 30 DIEDHN COc1ccc(C#N)cc1CNC1(c2ccccc2)CCCC1 ZINC000183538915 1053672138 /nfs/dbraw/zinc/67/21/38/1053672138.db2.gz GZGLLCTURWXFEM-UHFFFAOYSA-N 0 3 306.409 4.126 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620044 1053723860 /nfs/dbraw/zinc/72/38/60/1053723860.db2.gz OBWBPCVUCKVOPJ-IUODEOHRSA-N 0 3 305.418 4.406 20 30 DIEDHN C=CCOc1ccccc1CNCc1cc2ccncc2s1 ZINC001200545421 1053749772 /nfs/dbraw/zinc/74/97/72/1053749772.db2.gz XLFUVNPEUJFDOU-UHFFFAOYSA-N 0 3 310.422 4.151 20 30 DIEDHN CN(C)c1ccc2cc(CN3CCC(C)(C#N)CC3)ccc2c1 ZINC001231441992 1053755522 /nfs/dbraw/zinc/75/55/22/1053755522.db2.gz HSYOMJLTDUTWHD-UHFFFAOYSA-N 0 3 307.441 4.031 20 30 DIEDHN N#C[C@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578835 1053788829 /nfs/dbraw/zinc/78/88/29/1053788829.db2.gz SWQBEHUZJUEAOP-FQEVSTJZSA-N 0 3 314.432 4.212 20 30 DIEDHN C=CCOc1cccc(CN(CC)Cc2cccc(OC)c2)c1 ZINC001231625220 1053804911 /nfs/dbraw/zinc/80/49/11/1053804911.db2.gz PZZVQFNFTNLUHF-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN C=CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC001231623670 1053807033 /nfs/dbraw/zinc/80/70/33/1053807033.db2.gz PGGLMBWDHMUDIY-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN COc1cc(C)c(CN2CCC[C@@H](CC#N)C2)cc1C(C)C ZINC001231626598 1053811158 /nfs/dbraw/zinc/81/11/58/1053811158.db2.gz NBPOSCZZKLNZKG-INIZCTEOSA-N 0 3 300.446 4.253 20 30 DIEDHN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271505860 1053817635 /nfs/dbraw/zinc/81/76/35/1053817635.db2.gz RLMIGIFZRWUWRD-HZPDHXFCSA-N 0 3 324.424 4.318 20 30 DIEDHN CC(C)Oc1cccc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000271764026 1053819169 /nfs/dbraw/zinc/81/91/69/1053819169.db2.gz MWLFHGSMFCPEBN-MRXNPFEDSA-N 0 3 324.424 4.227 20 30 DIEDHN C#Cc1cccc(CN(C)Cc2ccc(Br)cc2)c1 ZINC001231659345 1053820590 /nfs/dbraw/zinc/82/05/90/1053820590.db2.gz JMLAJASPMFQARD-UHFFFAOYSA-N 0 3 314.226 4.062 20 30 DIEDHN C#Cc1cccc(CN2CCC3(CCc4ccccc4O3)CC2)c1 ZINC001231660347 1053825003 /nfs/dbraw/zinc/82/50/03/1053825003.db2.gz CVHVHFXSGWNVLE-UHFFFAOYSA-N 0 3 317.432 4.028 20 30 DIEDHN Cc1oc2ccccc2c1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000183911487 1053856847 /nfs/dbraw/zinc/85/68/47/1053856847.db2.gz WMAOPWOBBLHMML-CQSZACIVSA-N 0 3 320.392 4.322 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001232115672 1053965270 /nfs/dbraw/zinc/96/52/70/1053965270.db2.gz YZDAELWAJZFEDZ-QGZVFWFLSA-N 0 3 310.828 4.276 20 30 DIEDHN Cc1cccc(F)c1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001232484262 1054057565 /nfs/dbraw/zinc/05/75/65/1054057565.db2.gz ZRVOEPFPKDIMIJ-SFHVURJKSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCN(Cc1cc(OCc2ccccc2)ccn1)C(C)(C)C ZINC001232589207 1054076782 /nfs/dbraw/zinc/07/67/82/1054076782.db2.gz GLMPVMDYKUTUEK-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN C=CCN(Cc1ccc(-n2cccn2)cc1Cl)C(C)(C)C ZINC001232596766 1054080273 /nfs/dbraw/zinc/08/02/73/1054080273.db2.gz TYXJTHSDEJZLOA-UHFFFAOYSA-N 0 3 303.837 4.312 20 30 DIEDHN CCN(C)c1ccccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000848536410 1054131183 /nfs/dbraw/zinc/13/11/83/1054131183.db2.gz RQCMSAZAVCVWNB-UHFFFAOYSA-N 0 3 321.468 4.234 20 30 DIEDHN C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(F)ccc1[O-] ZINC000848566622 1054152695 /nfs/dbraw/zinc/15/26/95/1054152695.db2.gz CLZQWXDPKGYJOZ-CYBMUJFWSA-N 0 3 310.372 4.133 20 30 DIEDHN Cc1cccc(OC2CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC001233082202 1054183833 /nfs/dbraw/zinc/18/38/33/1054183833.db2.gz FFNLNYBCBVACQQ-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN CC(C)(C)c1ccc(O)c(CN2CCc3cc(C#N)ccc3C2)c1 ZINC001233284015 1054222305 /nfs/dbraw/zinc/22/23/05/1054222305.db2.gz DTYHHGNSHPJLHC-UHFFFAOYSA-N 0 3 320.436 4.120 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(C(F)F)c1 ZINC001336658303 1054242213 /nfs/dbraw/zinc/24/22/13/1054242213.db2.gz MHBVDWFTIQZPIO-UHFFFAOYSA-N 0 3 300.352 4.403 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233444601 1054273176 /nfs/dbraw/zinc/27/31/76/1054273176.db2.gz WRGRUOSECLCWDW-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cc(C#N)ccc1F ZINC001339118820 1054323408 /nfs/dbraw/zinc/32/34/08/1054323408.db2.gz SRBHLXKKCAKRMF-MLGOLLRUSA-N 0 3 310.372 4.050 20 30 DIEDHN CCCCCCCCC[C@@H](C)CC(=O)N1CCCN(C)CC1 ZINC001440405809 1054349514 /nfs/dbraw/zinc/34/95/14/1054349514.db2.gz LYUBXWMCQNRDHR-GOSISDBHSA-N 0 3 310.526 4.317 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC001346095716 1054527606 /nfs/dbraw/zinc/52/76/06/1054527606.db2.gz IIKYQADBWVIUKQ-HNNXBMFYSA-N 0 3 301.434 4.076 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC001346095718 1054528221 /nfs/dbraw/zinc/52/82/21/1054528221.db2.gz IIKYQADBWVIUKQ-OAHLLOKOSA-N 0 3 301.434 4.076 20 30 DIEDHN C=CCC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001446502041 1054538122 /nfs/dbraw/zinc/53/81/22/1054538122.db2.gz FZFKCMRHKVLTIM-MJGOQNOKSA-N 0 3 314.473 4.075 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(F)c(C)c2)c1 ZINC000073012614 1054614281 /nfs/dbraw/zinc/61/42/81/1054614281.db2.gz DBAYLXQBMXLWKH-KRWDZBQOSA-N 0 3 312.388 4.105 20 30 DIEDHN CCc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000073012417 1054615422 /nfs/dbraw/zinc/61/54/22/1054615422.db2.gz CGSWOQFVBFGKNB-LJQANCHMSA-N 0 3 308.425 4.220 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(F)c(C)c2)c1 ZINC000073012618 1054615545 /nfs/dbraw/zinc/61/55/45/1054615545.db2.gz DBAYLXQBMXLWKH-QGZVFWFLSA-N 0 3 312.388 4.105 20 30 DIEDHN CN(Cc1c[nH]c(-c2ccccc2F)c1)Cc1ccc(C#N)cc1 ZINC001235039175 1054642803 /nfs/dbraw/zinc/64/28/03/1054642803.db2.gz OCDKDHCHIZBNHA-UHFFFAOYSA-N 0 3 319.383 4.324 20 30 DIEDHN CCCCCCCCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001450407131 1054647544 /nfs/dbraw/zinc/64/75/44/1054647544.db2.gz HQEAPHYLMCUZMM-SFHVURJKSA-N 0 3 322.537 4.460 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1cccc(N2CCCC2)c1 ZINC001235097770 1054657139 /nfs/dbraw/zinc/65/71/39/1054657139.db2.gz ZWZZYUBKMPPOQP-UHFFFAOYSA-N 0 3 306.453 4.475 20 30 DIEDHN CCOCc1ccccc1CNCc1c(C)cc(C#N)cc1C ZINC000921501183 1054670924 /nfs/dbraw/zinc/67/09/24/1054670924.db2.gz JJDVVYZESIBNEO-UHFFFAOYSA-N 0 3 308.425 4.001 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2cccc(Cl)c2)CCCC1(C)C ZINC001473433701 1054715022 /nfs/dbraw/zinc/71/50/22/1054715022.db2.gz XQKIAFXVGXIYAT-MRXNPFEDSA-N 0 3 320.864 4.345 20 30 DIEDHN Cc1ccccc1OC1CCN(Cc2ccccc2CC#N)CC1 ZINC001235512745 1054732647 /nfs/dbraw/zinc/73/26/47/1054732647.db2.gz UXXCNZUMSKROJS-UHFFFAOYSA-N 0 3 320.436 4.105 20 30 DIEDHN CN(Cc1ccccc1CC#N)Cc1ccccc1C(F)(F)F ZINC001235523206 1054736964 /nfs/dbraw/zinc/73/69/64/1054736964.db2.gz NHZDAOKODFAFQB-UHFFFAOYSA-N 0 3 318.342 4.403 20 30 DIEDHN CCCCCCCCN(C)Cc1ccc(C(=O)OCC)cn1 ZINC001235871356 1054828982 /nfs/dbraw/zinc/82/89/82/1054828982.db2.gz XYZUJHSFBRMQQH-UHFFFAOYSA-N 0 3 306.450 4.051 20 30 DIEDHN C=CC(C)(C)CCN[C@@H](C)c1ncc(Br)cc1F ZINC000624037330 1054862107 /nfs/dbraw/zinc/86/21/07/1054862107.db2.gz WFIVLFKPSOJXNE-JTQLQIEISA-N 0 3 315.230 4.236 20 30 DIEDHN Cc1cnc(-c2cccc(CN3CCCCC3)c2F)c(C#N)c1 ZINC001236003138 1054888360 /nfs/dbraw/zinc/88/83/60/1054888360.db2.gz SEXCKUXLNHJQHO-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cc(C#N)c(-c2cccc(CN3CCCCC3)c2F)nc1C ZINC001236003524 1054891421 /nfs/dbraw/zinc/89/14/21/1054891421.db2.gz ASOQAUXOZKAEET-UHFFFAOYSA-N 0 3 323.415 4.362 20 30 DIEDHN [O-]/N=C/c1cccc(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236015208 1054896711 /nfs/dbraw/zinc/89/67/11/1054896711.db2.gz MCHXNLHUDXLURI-FYJGNVAPSA-N 0 3 312.388 4.287 20 30 DIEDHN COc1cccc(-c2cccc(CN3CCCCC3)c2F)c1C#N ZINC001236017049 1054899676 /nfs/dbraw/zinc/89/96/76/1054899676.db2.gz XFMUZHUUXGSPKO-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN C[C@@H](CC1CCCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001350354705 1054917079 /nfs/dbraw/zinc/91/70/79/1054917079.db2.gz RULRHZQJZAPFTI-FZMZJTMJSA-N 0 3 306.356 4.143 20 30 DIEDHN Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C#N ZINC001236469806 1055129638 /nfs/dbraw/zinc/12/96/38/1055129638.db2.gz MYXKBQRTYFIZJM-MOPGFXCFSA-N 0 3 315.420 4.082 20 30 DIEDHN COc1ccc(C#N)cc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236545158 1055172318 /nfs/dbraw/zinc/17/23/18/1055172318.db2.gz OIWVNSODDAHNAP-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN CCN(CC)Cc1cccc(-c2cc(C#N)ccc2OC)c1F ZINC001236544840 1055172788 /nfs/dbraw/zinc/17/27/88/1055172788.db2.gz CRYDFPLOEBVGDS-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCCC)cc2)cc1 ZINC000765038705 1055316150 /nfs/dbraw/zinc/31/61/50/1055316150.db2.gz OILBXEJCIYFNJX-KRWDZBQOSA-N 0 3 323.436 4.338 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cc(O)cc2ccccc21 ZINC001237075446 1055359637 /nfs/dbraw/zinc/35/96/37/1055359637.db2.gz CXBNNYOUOPJMIA-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN C=C(CN[C@@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000765418060 1055384405 /nfs/dbraw/zinc/38/44/05/1055384405.db2.gz XVOPVOGBFDUWSN-KRWDZBQOSA-N 0 3 303.409 4.236 20 30 DIEDHN COc1ccc([C@@H](NCc2csc(C#N)c2)C(C)C)cc1 ZINC000921513732 1055401084 /nfs/dbraw/zinc/40/10/84/1055401084.db2.gz UOEKRBLGHGHUGU-KRWDZBQOSA-N 0 3 300.427 4.115 20 30 DIEDHN COc1ccc([C@H](NCc2csc(C#N)c2)C(C)C)cc1 ZINC000921513734 1055401901 /nfs/dbraw/zinc/40/19/01/1055401901.db2.gz UOEKRBLGHGHUGU-QGZVFWFLSA-N 0 3 300.427 4.115 20 30 DIEDHN C#Cc1ccc(CN2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)cc1 ZINC001237245865 1055407198 /nfs/dbraw/zinc/40/71/98/1055407198.db2.gz JTHLJDZLXUZOQK-QUCCMNQESA-N 0 3 322.839 4.105 20 30 DIEDHN C[C@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)Cc2ccccc21 ZINC001237466998 1055455185 /nfs/dbraw/zinc/45/51/85/1055455185.db2.gz QIQCVLLLQNVFLI-HNNXBMFYSA-N 0 3 315.420 4.169 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H]2C2CCCCC2)c(F)cc1F ZINC001237530393 1055469883 /nfs/dbraw/zinc/46/98/83/1055469883.db2.gz OGNFWWJOAJEQSN-SFHVURJKSA-N 0 3 304.384 4.381 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2ccccc2)n1 ZINC001237546556 1055472080 /nfs/dbraw/zinc/47/20/80/1055472080.db2.gz MMSJDAZOHHXKMG-OHFIKTQHSA-N 0 3 303.409 4.015 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccnc(OC(F)F)c1 ZINC001237615046 1055485064 /nfs/dbraw/zinc/48/50/64/1055485064.db2.gz LCSRSIURXYUYMS-UHFFFAOYSA-N 0 3 318.367 4.261 20 30 DIEDHN N#CC1CCN(Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC001237664630 1055499705 /nfs/dbraw/zinc/49/97/05/1055499705.db2.gz VOGNPDLXRYXMJN-UHFFFAOYSA-N 0 3 312.363 4.367 20 30 DIEDHN CC(C)C1=NCCc2ccc(CN(CCC#N)C3CCCC3)cc21 ZINC001237880121 1055546967 /nfs/dbraw/zinc/54/69/67/1055546967.db2.gz FLIWJTRLUKPOIZ-UHFFFAOYSA-N 0 3 323.484 4.346 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OCC)cc2C)cc1 ZINC001620933087 1055547967 /nfs/dbraw/zinc/54/79/67/1055547967.db2.gz FUCQHZVQPZEHPA-UHFFFAOYSA-N 0 3 311.425 4.248 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1 ZINC001620942490 1055556127 /nfs/dbraw/zinc/55/61/27/1055556127.db2.gz JAOWESLZJRVLQZ-UHFFFAOYSA-N 0 3 303.327 4.063 20 30 DIEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)c(Cl)c1 ZINC001238086683 1055603337 /nfs/dbraw/zinc/60/33/37/1055603337.db2.gz MNTVGSFAYCPCNV-UHFFFAOYSA-N 0 3 306.812 4.316 20 30 DIEDHN N#Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)ccc1Cl ZINC001238191700 1055617192 /nfs/dbraw/zinc/61/71/92/1055617192.db2.gz PGCCIVDPYLBPAR-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1cc(CN2CC[C@H](Cc3ccccc3)C2)ccc1Cl ZINC001238195062 1055617887 /nfs/dbraw/zinc/61/78/87/1055617887.db2.gz ZMGYVUFRJHENAO-QGZVFWFLSA-N 0 3 310.828 4.276 20 30 DIEDHN CC(C)c1cc(CN2CCC3SC(=O)C=C3C2)ccc1Cl ZINC001238224867 1055625447 /nfs/dbraw/zinc/62/54/47/1055625447.db2.gz WNTNHYYDNAJMAF-MRXNPFEDSA-N 0 3 321.873 4.238 20 30 DIEDHN COc1cc(CN2CCCC[C@H]2c2ccccc2)ccc1C#N ZINC001238409592 1055652850 /nfs/dbraw/zinc/65/28/50/1055652850.db2.gz IUWIBPQUUDCVAG-IBGZPJMESA-N 0 3 306.409 4.294 20 30 DIEDHN COc1cc(CN2CCC(c3cccs3)CC2)ccc1C#N ZINC001238406586 1055653566 /nfs/dbraw/zinc/65/35/66/1055653566.db2.gz HGMSBWSEHWZJEC-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN COc1cc(F)ccc1-c1cccc(CN2CCC(C#N)CC2)c1 ZINC001238629901 1055704062 /nfs/dbraw/zinc/70/40/62/1055704062.db2.gz GIUWJXDXRXQLFO-UHFFFAOYSA-N 0 3 324.399 4.237 20 30 DIEDHN CCc1cc(CN2CCC(Oc3ccccc3)CC2)ccc1C#N ZINC001238767672 1055745068 /nfs/dbraw/zinc/74/50/68/1055745068.db2.gz XUMOIFSPNNJGNN-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN CCCCCCCCCNC(=S)Nc1cccc2c1CNC2 ZINC001239344410 1055877518 /nfs/dbraw/zinc/87/75/18/1055877518.db2.gz MYYSWLWAUKTBCX-UHFFFAOYSA-N 0 3 319.518 4.327 20 30 DIEDHN C[C@@H]1CC[C@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615645451 1055928162 /nfs/dbraw/zinc/92/81/62/1055928162.db2.gz YZOQHVPBYCJISK-UONOGXRCSA-N 0 3 311.347 4.057 20 30 DIEDHN C=C(C)CCN1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001620687283 1055978710 /nfs/dbraw/zinc/97/87/10/1055978710.db2.gz MOKSSEQVZIDKHM-UHFFFAOYSA-N 0 3 316.445 4.358 20 30 DIEDHN C=CC[C@@H](NCc1ccc(Br)cc1)c1ccncc1 ZINC001620800073 1055994718 /nfs/dbraw/zinc/99/47/18/1055994718.db2.gz WVJHVPBJNNOREK-MRXNPFEDSA-N 0 3 317.230 4.251 20 30 DIEDHN CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000131543503 1056099206 /nfs/dbraw/zinc/09/92/06/1056099206.db2.gz RIEHTLKYLIMGPF-XJKSGUPXSA-N 0 3 300.402 4.038 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000186319460 1056102080 /nfs/dbraw/zinc/10/20/80/1056102080.db2.gz WLWMTAVGOGVRKF-CYBMUJFWSA-N 0 3 316.351 4.319 20 30 DIEDHN CCN(CC)Cc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1F ZINC001239931561 1056167757 /nfs/dbraw/zinc/16/77/57/1056167757.db2.gz NFWSJLSQEPWYHH-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN N#Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1F ZINC001240162463 1056359438 /nfs/dbraw/zinc/35/94/38/1056359438.db2.gz MKTKXDBYEUKUBH-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H](CC)c1ccc2c(c1)CCO2 ZINC000765908519 1056381216 /nfs/dbraw/zinc/38/12/16/1056381216.db2.gz OQGLRHOPECXNFX-IBGZPJMESA-N 0 3 323.436 4.427 20 30 DIEDHN Cc1ccc(SCCN(C)Cc2ccc(F)cc2)c(C#N)c1 ZINC001614881603 1056456098 /nfs/dbraw/zinc/45/60/98/1056456098.db2.gz KVYQJLDYMRZUPH-UHFFFAOYSA-N 0 3 314.429 4.230 20 30 DIEDHN Cc1cccc(OCCN(C)Cc2cc(Cl)cc(C#N)c2)c1 ZINC001615194213 1056473561 /nfs/dbraw/zinc/47/35/61/1056473561.db2.gz ACFKHDLXIOWGLA-UHFFFAOYSA-N 0 3 314.816 4.031 20 30 DIEDHN N#Cc1cc(-c2cncc(CN3CCCCC3)c2)ccc1Cl ZINC001240403542 1056483952 /nfs/dbraw/zinc/48/39/52/1056483952.db2.gz OQOCRPIQRUPNQN-UHFFFAOYSA-N 0 3 311.816 4.260 20 30 DIEDHN CC(C)C[C@@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC001615401654 1056505922 /nfs/dbraw/zinc/50/59/22/1056505922.db2.gz JBZCQRDDPFNAQZ-HNNXBMFYSA-N 0 3 321.262 4.331 20 30 DIEDHN COc1ccc([C@@H](C)NCc2c(C)cc(C#N)cc2C)cc1F ZINC000921808487 1056510511 /nfs/dbraw/zinc/51/05/11/1056510511.db2.gz AHLMYPWLIVNBKY-CQSZACIVSA-N 0 3 312.388 4.174 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N1CC[C@H](N2CCC2)C1 ZINC001585225165 1056511803 /nfs/dbraw/zinc/51/18/03/1056511803.db2.gz SCCKMHHSVNNOHJ-ROUUACIJSA-N 0 3 308.510 4.070 20 30 DIEDHN C=CCN(CC1CCCCC1)[C@@H]1CCc2ccccc2NC1=O ZINC001615506369 1056524387 /nfs/dbraw/zinc/52/43/87/1056524387.db2.gz ZISISYLCCVGZBT-LJQANCHMSA-N 0 3 312.457 4.008 20 30 DIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001615601351 1056544697 /nfs/dbraw/zinc/54/46/97/1056544697.db2.gz SKTSKRANYYXADV-HNNXBMFYSA-N 0 3 322.880 4.023 20 30 DIEDHN COCC#CCN[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001616601592 1056684482 /nfs/dbraw/zinc/68/44/82/1056684482.db2.gz VXZDQDATMYLXMM-MRXNPFEDSA-N 0 3 313.363 4.032 20 30 DIEDHN C=CCN(CCc1ccco1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001616683796 1056699528 /nfs/dbraw/zinc/69/95/28/1056699528.db2.gz MHHQQHKZYKEKCO-HNNXBMFYSA-N 0 3 314.385 4.288 20 30 DIEDHN CSCc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000922073209 1056781097 /nfs/dbraw/zinc/78/10/97/1056781097.db2.gz PIQJPKJNFDFUDV-LJQANCHMSA-N 0 3 308.450 4.198 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2cc(C)cc(C)c2)CCCC1(C)C ZINC001617604300 1056856296 /nfs/dbraw/zinc/85/62/96/1056856296.db2.gz RQMRFJPTYNLCOC-SFHVURJKSA-N 0 3 314.473 4.309 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2ccc(C)c(C)c2)CCCC1(C)C ZINC001617604516 1056856994 /nfs/dbraw/zinc/85/69/94/1056856994.db2.gz UJENNHJTKQAXRF-SFHVURJKSA-N 0 3 314.473 4.309 20 30 DIEDHN CCN(CC)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000078613015 1056861074 /nfs/dbraw/zinc/86/10/74/1056861074.db2.gz FTBJHLYHLARBRH-MRXNPFEDSA-N 0 3 317.820 4.300 20 30 DIEDHN CN(Cc1ccc(Br)cc1C#N)[C@@H]1CCC(C)(C)C1 ZINC001617687941 1056869498 /nfs/dbraw/zinc/86/94/98/1056869498.db2.gz WIHQQRPZMIBMTJ-OAHLLOKOSA-N 0 3 321.262 4.331 20 30 DIEDHN N#Cc1cccc(CNCc2cccc(OC3CCCC3)c2)c1 ZINC000066971891 1056908114 /nfs/dbraw/zinc/90/81/14/1056908114.db2.gz WGGXQFSALCVNDI-UHFFFAOYSA-N 0 3 306.409 4.169 20 30 DIEDHN N#CCc1ccc(F)cc1C1=CCN(Cc2ccccc2)CC1 ZINC001241503971 1057073746 /nfs/dbraw/zinc/07/37/46/1057073746.db2.gz KMZRLJAOFVEULE-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C=CC[C@@H](N[C@@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018439 1057108754 /nfs/dbraw/zinc/10/87/54/1057108754.db2.gz HYAOBENPQPFSLR-ZWKOTPCHSA-N 0 3 324.424 4.211 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018250 1057109092 /nfs/dbraw/zinc/10/90/92/1057109092.db2.gz GUWCEDNLYLHDAC-LSDHHAIUSA-N 0 3 313.470 4.385 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020587 1057117497 /nfs/dbraw/zinc/11/74/97/1057117497.db2.gz QNOVFEWKQKREJJ-DYVFJYSZSA-N 0 3 300.377 4.197 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccncc1 ZINC000766021572 1057121014 /nfs/dbraw/zinc/12/10/14/1057121014.db2.gz UPHHCTNMRGLHCN-KBXCAEBGSA-N 0 3 313.420 4.255 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCCc2ccc(OC)cc21)c1ccncc1 ZINC000766021929 1057123040 /nfs/dbraw/zinc/12/30/40/1057123040.db2.gz VOWJRUCRNCZHTM-WOJBJXKFSA-N 0 3 308.425 4.375 20 30 DIEDHN CCN(CC)Cc1cc(OC)ccc1C1=CC(=O)CC(C)(C)C1 ZINC001242317961 1057332465 /nfs/dbraw/zinc/33/24/65/1057332465.db2.gz IWGMBGGRPNGCGF-UHFFFAOYSA-N 0 3 315.457 4.310 20 30 DIEDHN C[C@@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 ZINC000174329496 1057358098 /nfs/dbraw/zinc/35/80/98/1057358098.db2.gz UNRWYKAOBPUZMM-JTQLQIEISA-N 0 3 309.196 4.179 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(C#N)c(C)c3)c(C)c2)CC1 ZINC001242766403 1057467815 /nfs/dbraw/zinc/46/78/15/1057467815.db2.gz BZXUQZZSKKORQC-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN C=CCC[C@@H](NCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000676724334 1057497764 /nfs/dbraw/zinc/49/77/64/1057497764.db2.gz AJMQLOHVPDMXIM-OAHLLOKOSA-N 0 3 309.335 4.226 20 30 DIEDHN C=CCC1(NCc2nc(-c3ccsc3)no2)CCCCC1 ZINC000625937867 1057539434 /nfs/dbraw/zinc/53/94/34/1057539434.db2.gz ZUAAJIKJALLKIV-UHFFFAOYSA-N 0 3 303.431 4.167 20 30 DIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1C1CC1 ZINC000611257759 1057587233 /nfs/dbraw/zinc/58/72/33/1057587233.db2.gz IKDUNQNJARIFKB-UHFFFAOYSA-N 0 3 320.436 4.084 20 30 DIEDHN CC(C)C[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611396340 1057597488 /nfs/dbraw/zinc/59/74/88/1057597488.db2.gz MOWLZMMDPPYHNO-SFHVURJKSA-N 0 3 313.832 4.484 20 30 DIEDHN CC(C)(C)c1ccc(C(C)(C)NCc2ccnc(C#N)c2)cc1 ZINC000611391184 1057598230 /nfs/dbraw/zinc/59/82/30/1057598230.db2.gz YXIHOQSWJWUAHI-UHFFFAOYSA-N 0 3 307.441 4.276 20 30 DIEDHN CC(C)[C@H](C)N1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727685478 1057663739 /nfs/dbraw/zinc/66/37/39/1057663739.db2.gz ORWMPZUKZGBERL-AWEZNQCLSA-N 0 3 324.424 4.209 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccccc2OCC#N)c1F ZINC001243586833 1057725401 /nfs/dbraw/zinc/72/54/01/1057725401.db2.gz PNJLQWKMJBDBRO-UHFFFAOYSA-N 0 3 312.388 4.237 20 30 DIEDHN N#CCOc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001243591849 1057726856 /nfs/dbraw/zinc/72/68/56/1057726856.db2.gz ZEUGGKZONQBKRF-UHFFFAOYSA-N 0 3 324.399 4.381 20 30 DIEDHN C=CC1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000732206291 1057769408 /nfs/dbraw/zinc/76/94/08/1057769408.db2.gz XXGRPAYXARVBFD-UHFFFAOYSA-N 0 3 323.465 4.461 20 30 DIEDHN C#CCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCc2ccccc21 ZINC001559498898 1059281863 /nfs/dbraw/zinc/28/18/63/1059281863.db2.gz BZFDRZDNJRLLCC-QFIPXVFZSA-N 0 3 318.464 4.184 20 30 DIEDHN C=CC1CCN(CCCc2ccccc2Br)CC1 ZINC001559542333 1059346335 /nfs/dbraw/zinc/34/63/35/1059346335.db2.gz RZJONMULUVFYBY-UHFFFAOYSA-N 0 3 308.263 4.280 20 30 DIEDHN CCOc1ccccc1[C@H](CC(C)C)NCC1(CC#N)CC1 ZINC001559680523 1059511394 /nfs/dbraw/zinc/51/13/94/1059511394.db2.gz CHLALJQTFKIYDF-KRWDZBQOSA-N 0 3 300.446 4.456 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001532310993 1059585668 /nfs/dbraw/zinc/58/56/68/1059585668.db2.gz GTVYGLOEHCYLQW-IRXDYDNUSA-N 0 3 310.526 4.362 20 30 DIEDHN CCCCCCCCCCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC001559796128 1059631728 /nfs/dbraw/zinc/63/17/28/1059631728.db2.gz ZJHHQSPUIPUJFM-KRWDZBQOSA-N 0 3 317.539 4.026 20 30 DIEDHN C#C[C@H](C)N(C)Cc1cc(Br)c2ccccc2c1 ZINC001559797336 1059631861 /nfs/dbraw/zinc/63/18/61/1059631861.db2.gz NKNCYYQPRBEKNF-LBPRGKRZSA-N 0 3 302.215 4.056 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001559796983 1059633798 /nfs/dbraw/zinc/63/37/98/1059633798.db2.gz CODPXQCKAPAPAH-KRWDZBQOSA-N 0 3 318.417 4.170 20 30 DIEDHN C=C(C)CN(CCc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC001559829074 1059660813 /nfs/dbraw/zinc/66/08/13/1059660813.db2.gz KMVOMOVZVPPVCS-UHFFFAOYSA-N 0 3 315.436 4.224 20 30 DIEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983059 1059789343 /nfs/dbraw/zinc/78/93/43/1059789343.db2.gz FPXCQRXIJFNHTN-IAGOWNOFSA-N 0 3 322.452 4.455 20 30 DIEDHN Clc1ccc(C#CCN2CCC[C@H](OC3CCC3)CC2)cc1 ZINC001560079913 1059892798 /nfs/dbraw/zinc/89/27/98/1059892798.db2.gz LXQDGWDNSNRFSW-IBGZPJMESA-N 0 3 317.860 4.115 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCC(Oc2ccccc2)CC1 ZINC001248748743 1059964823 /nfs/dbraw/zinc/96/48/23/1059964823.db2.gz VJCHQFMDSZONCP-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCCC[C@H]1c1cccnc1 ZINC001248751309 1059965237 /nfs/dbraw/zinc/96/52/37/1059965237.db2.gz RWMXYNAJFRESNU-FQEVSTJZSA-N 0 3 305.425 4.243 20 30 DIEDHN C=C(C)CN(CC)Cc1cnc2cc(Br)ccc2c1 ZINC001248868208 1060026037 /nfs/dbraw/zinc/02/60/37/1060026037.db2.gz WWRBZEIIQPXGJB-UHFFFAOYSA-N 0 3 319.246 4.395 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(COCC)cc2)c1 ZINC001560261391 1060032253 /nfs/dbraw/zinc/03/22/53/1060032253.db2.gz HXJZFLCGEWBFJJ-UHFFFAOYSA-N 0 3 311.425 4.078 20 30 DIEDHN C=CCSCCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC001560435351 1060223030 /nfs/dbraw/zinc/22/30/30/1060223030.db2.gz IQFFZGRJOAXWTE-UHFFFAOYSA-N 0 3 305.418 4.403 20 30 DIEDHN C=CCCN(Cc1nc2ccc(OC)cc2[nH]1)Cc1ccccc1 ZINC001249414223 1060241783 /nfs/dbraw/zinc/24/17/83/1060241783.db2.gz XCZGPTUPANVNLV-UHFFFAOYSA-N 0 3 321.424 4.150 20 30 DIEDHN N#Cc1ccc2cc(CN3CCCC4(CC(F)C4)CC3)[nH]c2c1 ZINC001249429622 1060245406 /nfs/dbraw/zinc/24/54/06/1060245406.db2.gz JQGLAFLYBRERAC-UHFFFAOYSA-N 0 3 311.404 4.144 20 30 DIEDHN COc1ccc([C@H](C)N(C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429502 1060246552 /nfs/dbraw/zinc/24/65/52/1060246552.db2.gz DTCKHEWSCUZGIM-AWEZNQCLSA-N 0 3 319.408 4.241 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC[C@H]3c3ccccc3)[nH]c2c1 ZINC001249429039 1060247302 /nfs/dbraw/zinc/24/73/02/1060247302.db2.gz KTXFHHSXFPLQTP-FQEVSTJZSA-N 0 3 301.393 4.377 20 30 DIEDHN CN(C/C=C/c1ccccc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429617 1060247844 /nfs/dbraw/zinc/24/78/44/1060247844.db2.gz JLCIJRVTZXHJFJ-VMPITWQZSA-N 0 3 301.393 4.185 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC(c4cccs4)CC3)[nH]c2c1 ZINC001249429160 1060249845 /nfs/dbraw/zinc/24/98/45/1060249845.db2.gz QBLSQASFTBELQI-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503825 1060265873 /nfs/dbraw/zinc/26/58/73/1060265873.db2.gz JGBUWSBQMRKQFZ-MRXNPFEDSA-N 0 3 307.393 4.030 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001560503346 1060299485 /nfs/dbraw/zinc/29/94/85/1060299485.db2.gz KEFMWRGGSIMXIJ-UHFFFAOYSA-N 0 3 307.290 4.116 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2cccnc2c1 ZINC001560556841 1060366419 /nfs/dbraw/zinc/36/64/19/1060366419.db2.gz SPIYUYGMPIKTQJ-UHFFFAOYSA-N 0 3 301.393 4.013 20 30 DIEDHN C=CC(C)(C)CCCNCc1ncc(Br)cc1F ZINC001560579121 1060393351 /nfs/dbraw/zinc/39/33/51/1060393351.db2.gz YNLSOICOTBRFIW-UHFFFAOYSA-N 0 3 315.230 4.065 20 30 DIEDHN C[C@H](CCC#N)CN(C)[C@H](C)c1ccccc1Br ZINC001560671478 1060502422 /nfs/dbraw/zinc/50/24/22/1060502422.db2.gz GFRHPIKWEUTYQW-CHWSQXEVSA-N 0 3 309.251 4.382 20 30 DIEDHN C[N@H+](Cc1cc(C#N)cs1)Cc1ccc2ccccc2c1[O-] ZINC001561026158 1060883222 /nfs/dbraw/zinc/88/32/22/1060883222.db2.gz VJYYZLSNISABRB-UHFFFAOYSA-N 0 3 308.406 4.111 20 30 DIEDHN C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc2ccccc2c1[O-] ZINC001561026158 1060883234 /nfs/dbraw/zinc/88/32/34/1060883234.db2.gz VJYYZLSNISABRB-UHFFFAOYSA-N 0 3 308.406 4.111 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035859 1060889593 /nfs/dbraw/zinc/88/95/93/1060889593.db2.gz LCIHGSMMPXNQOE-GGPKGHCWSA-N 0 3 305.425 4.037 20 30 DIEDHN C#C[C@@H](N[C@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275229 1061069388 /nfs/dbraw/zinc/06/93/88/1061069388.db2.gz HBLKGJQMWPYNIO-AZUAARDMSA-N 0 3 323.411 4.046 20 30 DIEDHN C#C[C@H](N[C@H]1C[C@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303789 1061091004 /nfs/dbraw/zinc/09/10/04/1061091004.db2.gz INANBQFDKCBLGU-ULQDDVLXSA-N 0 3 305.849 4.198 20 30 DIEDHN C#C[C@H](N[C@H]1C[C@@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303793 1061091789 /nfs/dbraw/zinc/09/17/89/1061091789.db2.gz INANBQFDKCBLGU-YESZJQIVSA-N 0 3 305.849 4.198 20 30 DIEDHN C#C[C@H](N[C@@H]1C[C@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303781 1061092055 /nfs/dbraw/zinc/09/20/55/1061092055.db2.gz INANBQFDKCBLGU-BBWFWOEESA-N 0 3 305.849 4.198 20 30 DIEDHN C#CC[C@H](NCc1cnc2ccc(C)cc2c1)c1ccccc1 ZINC001473332190 1061092304 /nfs/dbraw/zinc/09/23/04/1061092304.db2.gz USAJAHKRZSHKQV-FQEVSTJZSA-N 0 3 300.405 4.397 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400256 1061136108 /nfs/dbraw/zinc/13/61/08/1061136108.db2.gz NNYSOYNBDNZDJJ-YOEHRIQHSA-N 0 3 307.384 4.131 20 30 DIEDHN Cc1ccc2c(c1)CN(Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC001462418603 1061162430 /nfs/dbraw/zinc/16/24/30/1061162430.db2.gz UGJDBARIDWJGPE-UHFFFAOYSA-N 0 3 304.437 4.355 20 30 DIEDHN CCCCCCCN1CCN(c2nccc3sccc32)CC1 ZINC001473527158 1061223828 /nfs/dbraw/zinc/22/38/28/1061223828.db2.gz VMTWVYYQNRXYQR-UHFFFAOYSA-N 0 3 317.502 4.389 20 30 DIEDHN CC1(C)[C@H](c2ccccc2)CCN1Cc1ccc(F)cc1C#N ZINC001473561590 1061248757 /nfs/dbraw/zinc/24/87/57/1061248757.db2.gz PSJCQIVZSKCXCS-IBGZPJMESA-N 0 3 308.400 4.465 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](C3CCCC3)C2)c(OC(F)F)c1 ZINC001473567778 1061259174 /nfs/dbraw/zinc/25/91/74/1061259174.db2.gz YBSOUMJLSRMUKV-OAHLLOKOSA-N 0 3 320.383 4.172 20 30 DIEDHN CC[C@@](C)(NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC001473705575 1061358870 /nfs/dbraw/zinc/35/88/70/1061358870.db2.gz CGOVLKDKXYYZTG-GOSISDBHSA-N 0 3 300.352 4.251 20 30 DIEDHN COc1ccc([C@H](C)NCC#Cc2ccc(Cl)cc2)cc1C ZINC001473781387 1061405920 /nfs/dbraw/zinc/40/59/20/1061405920.db2.gz WSLKTEJKQAIWKO-HNNXBMFYSA-N 0 3 313.828 4.359 20 30 DIEDHN C#CC[C@@H]1CCN(Cc2oc3ccccc3c2Br)C1 ZINC001473788859 1061408573 /nfs/dbraw/zinc/40/85/73/1061408573.db2.gz WGJKTZLZPHQUIK-GFCCVEGCSA-N 0 3 318.214 4.041 20 30 DIEDHN CC1(C)CCCC[C@H]1CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838649 1061428421 /nfs/dbraw/zinc/42/84/21/1061428421.db2.gz JMLWVWLWKWSJCI-OALUTQOASA-N 0 3 312.457 4.148 20 30 DIEDHN CC1(C)CCCC[C@@H]1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838653 1061428464 /nfs/dbraw/zinc/42/84/64/1061428464.db2.gz JMLWVWLWKWSJCI-RTBURBONSA-N 0 3 312.457 4.148 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473854718 1061435294 /nfs/dbraw/zinc/43/52/94/1061435294.db2.gz MPAMMTDBJZVDEO-INIZCTEOSA-N 0 3 318.417 4.313 20 30 DIEDHN CCCCCCCCCN1CCOC[C@@H]1CC1CCOCC1 ZINC001473862901 1061438919 /nfs/dbraw/zinc/43/89/19/1061438919.db2.gz OMPBWOHBWSRSST-IBGZPJMESA-N 0 3 311.510 4.255 20 30 DIEDHN CCCCCCCC[C@@H](CO)NCC#Cc1ccccc1Cl ZINC001473874095 1061445907 /nfs/dbraw/zinc/44/59/07/1061445907.db2.gz SIDLPDOELOCWAD-SFHVURJKSA-N 0 3 321.892 4.393 20 30 DIEDHN CCCCCCCC[C@@H](O)CN[C@H](C)c1nc2ccccc2[nH]1 ZINC001252131433 1061590060 /nfs/dbraw/zinc/59/00/60/1061590060.db2.gz NPDCYLHECWXMDJ-HZPDHXFCSA-N 0 3 317.477 4.325 20 30 DIEDHN CCCCCCCC[C@@H](O)CN1CCc2nc[nH]c2[C@H]1C(C)C ZINC001252132177 1061593275 /nfs/dbraw/zinc/59/32/75/1061593275.db2.gz BCHJZVFNQGVASA-VQIMIIECSA-N 0 3 321.509 4.076 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1cc(OC(C)C)ccn1 ZINC001252138807 1061598752 /nfs/dbraw/zinc/59/87/52/1061598752.db2.gz GGGLVPRDPJVZQA-GOSISDBHSA-N 0 3 322.493 4.070 20 30 DIEDHN C=C[C@](C)(O)CN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001252556258 1061664072 /nfs/dbraw/zinc/66/40/72/1061664072.db2.gz FOPSANGUGFLLIA-HOTGVXAUSA-N 0 3 313.363 4.169 20 30 DIEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1Oc1ccccc1 ZINC001252602689 1061672988 /nfs/dbraw/zinc/67/29/88/1061672988.db2.gz FADMAULIQAPHFC-SFHVURJKSA-N 0 3 311.425 4.238 20 30 DIEDHN C=CCC[C@H](O)CN1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252599944 1061673059 /nfs/dbraw/zinc/67/30/59/1061673059.db2.gz QIMDJALBRQWCTG-STQMWFEESA-N 0 3 314.256 4.110 20 30 DIEDHN C=CCC[C@@H](O)CN1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001252601690 1061673671 /nfs/dbraw/zinc/67/36/71/1061673671.db2.gz CPIYLUAVUZGWBO-YHYVQYDKSA-N 0 3 319.448 4.190 20 30 DIEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001252617828 1061679658 /nfs/dbraw/zinc/67/96/58/1061679658.db2.gz LJFFXKYMQSBUGG-GFCCVEGCSA-N 0 3 302.245 4.145 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ccncc1F ZINC001252985785 1061777215 /nfs/dbraw/zinc/77/72/15/1061777215.db2.gz HCNBDNJPTAJLDJ-KRWDZBQOSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252987693 1061779473 /nfs/dbraw/zinc/77/94/73/1061779473.db2.gz VRQQZUMACAIAQT-GOSISDBHSA-N 0 3 323.477 4.079 20 30 DIEDHN C=C[C@@H](NC[C@@H](O)COC[C@H](CC)CCCC)c1ccccc1 ZINC001253033974 1061787646 /nfs/dbraw/zinc/78/76/46/1061787646.db2.gz NLUSSWMKXYYQPY-MISYRCLQSA-N 0 3 319.489 4.097 20 30 DIEDHN N#Cc1csc(CNC[C@]2(Cc3ccccc3)C=CCCC2)n1 ZINC001474233983 1061795732 /nfs/dbraw/zinc/79/57/32/1061795732.db2.gz GZZNNRKHHPPIQJ-LJQANCHMSA-N 0 3 323.465 4.074 20 30 DIEDHN Cc1ccc(CNCc2ccc3c(c2)CCC(C)(C)O3)cc1C#N ZINC001474263234 1061829721 /nfs/dbraw/zinc/82/97/21/1061829721.db2.gz RQNUOTFVBMKQHI-UHFFFAOYSA-N 0 3 320.436 4.260 20 30 DIEDHN C=C(C)COc1cc(CNC(C)(C)/C=C/Cl)ccc1OC ZINC001474273961 1061840409 /nfs/dbraw/zinc/84/04/09/1061840409.db2.gz NUBZTPRFCVETQX-CMDGGOBGSA-N 0 3 309.837 4.271 20 30 DIEDHN C=CCCCCCC[C@H](O)CN(C)CCC(=O)c1ccccc1 ZINC001253241384 1061842710 /nfs/dbraw/zinc/84/27/10/1061842710.db2.gz VTARJHOWJFUOGK-IBGZPJMESA-N 0 3 317.473 4.079 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H](c1cccnc1F)C1CC1 ZINC001253255403 1061856244 /nfs/dbraw/zinc/85/62/44/1061856244.db2.gz YGQLBEPISADLPM-WMZOPIPTSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H](c1ccc(F)cn1)C1CC1 ZINC001253255192 1061856886 /nfs/dbraw/zinc/85/68/86/1061856886.db2.gz XQUGCZXLTRYQEY-HKUYNNGSSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](C)[C@@H]2C)cc1OC ZINC001474333186 1061924760 /nfs/dbraw/zinc/92/47/60/1061924760.db2.gz WBDFUGAXXGCCRD-OLZOCXBDSA-N 0 3 309.837 4.144 20 30 DIEDHN CCCCCCCCCCCC[C@H](O)CNCc1c[nH]cn1 ZINC001253563271 1061926597 /nfs/dbraw/zinc/92/65/97/1061926597.db2.gz JWRYTIPTHCDKRD-SFHVURJKSA-N 0 3 309.498 4.171 20 30 DIEDHN CCCCCCCCCCCC[C@@H](O)CNCc1cncn1C ZINC001253562977 1061927272 /nfs/dbraw/zinc/92/72/72/1061927272.db2.gz HQAJTTCLUZSSIO-LJQANCHMSA-N 0 3 323.525 4.182 20 30 DIEDHN CCCCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C ZINC001253563424 1061929215 /nfs/dbraw/zinc/92/92/15/1061929215.db2.gz FRSHNKXCDGWMAV-SLFFLAALSA-N 0 3 324.553 4.047 20 30 DIEDHN CCCCCCCCCCCC[C@H](O)CNCc1ccncn1 ZINC001253565412 1061931439 /nfs/dbraw/zinc/93/14/39/1061931439.db2.gz MWAKFFKTVKUMCO-IBGZPJMESA-N 0 3 321.509 4.238 20 30 DIEDHN C#CCN(C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC001459345360 1062102151 /nfs/dbraw/zinc/10/21/51/1062102151.db2.gz OGYCMZVZIFXYKX-PZJWPPBQSA-N 0 3 323.480 4.349 20 30 DIEDHN N#Cc1c(F)cccc1CN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001474459052 1062137255 /nfs/dbraw/zinc/13/72/55/1062137255.db2.gz RZAXZROWNPUXTE-SJLPKXTDSA-N 0 3 308.400 4.198 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001474493706 1062173677 /nfs/dbraw/zinc/17/36/77/1062173677.db2.gz XCIPBKMESXSGLU-UHFFFAOYSA-N 0 3 323.436 4.360 20 30 DIEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001474509067 1062192472 /nfs/dbraw/zinc/19/24/72/1062192472.db2.gz KHEKLWXORJEJOX-FBBABVLZSA-N 0 3 320.411 4.465 20 30 DIEDHN C=CCN(C)CCN(CC)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001467727607 1062193697 /nfs/dbraw/zinc/19/36/97/1062193697.db2.gz MWYHILBHMOORLC-UHFFFAOYSA-N 0 3 322.880 4.043 20 30 DIEDHN C=C(C)CN(CCC(C)(C)SC)Cc1cnn(C(C)C)c1 ZINC001474519053 1062201996 /nfs/dbraw/zinc/20/19/96/1062201996.db2.gz YCEBCMDLVYLQBB-UHFFFAOYSA-N 0 3 309.523 4.374 20 30 DIEDHN C#C[C@H](NCCc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC001474544897 1062240196 /nfs/dbraw/zinc/24/01/96/1062240196.db2.gz WOXZQDAZLANWIO-KRWDZBQOSA-N 0 3 305.755 4.125 20 30 DIEDHN C#C[C@@H](N[C@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558216 1062262402 /nfs/dbraw/zinc/26/24/02/1062262402.db2.gz XYEJNFJPUBTMOT-FZKQIMNGSA-N 0 3 301.792 4.374 20 30 DIEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC001459692400 1062310469 /nfs/dbraw/zinc/31/04/69/1062310469.db2.gz CSPSPCZLNWCCPX-ROUUACIJSA-N 0 3 319.876 4.217 20 30 DIEDHN CC[C@H](CC#N)NC1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC001255160452 1062344314 /nfs/dbraw/zinc/34/43/14/1062344314.db2.gz KGMQRMZALPNZTI-OAHLLOKOSA-N 0 3 310.363 4.452 20 30 DIEDHN C=CCCC1(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CCCC1 ZINC001474624624 1062348098 /nfs/dbraw/zinc/34/80/98/1062348098.db2.gz BXMTXNPRHIACED-UHFFFAOYSA-N 0 3 303.446 4.325 20 30 DIEDHN CC[C@H](CC#N)NCC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001255162762 1062348070 /nfs/dbraw/zinc/34/80/70/1062348070.db2.gz YJDLNFCRKKLPIL-OAHLLOKOSA-N 0 3 321.415 4.102 20 30 DIEDHN CC[C@@H](CC#N)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001255177442 1062354294 /nfs/dbraw/zinc/35/42/94/1062354294.db2.gz RYYDSNGFLYMWDM-HOTGVXAUSA-N 0 3 321.262 4.148 20 30 DIEDHN CCC#C[C@H](C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001459749165 1062357576 /nfs/dbraw/zinc/35/75/76/1062357576.db2.gz WFFVTKMYEGARQS-LSDHHAIUSA-N 0 3 302.487 4.003 20 30 DIEDHN COc1ccc([C@@H](NCC#Cc2ccccc2)C2CCC2)cc1 ZINC001474736435 1062454960 /nfs/dbraw/zinc/45/49/60/1062454960.db2.gz HLFUSERHUGLCTP-NRFANRHFSA-N 0 3 305.421 4.178 20 30 DIEDHN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001459925253 1062501695 /nfs/dbraw/zinc/50/16/95/1062501695.db2.gz UOYCGMSLVQAXGU-CQSZACIVSA-N 0 3 309.375 4.425 20 30 DIEDHN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001459925249 1062501825 /nfs/dbraw/zinc/50/18/25/1062501825.db2.gz UOYCGMSLVQAXGU-AWEZNQCLSA-N 0 3 309.375 4.425 20 30 DIEDHN C#CCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459958936 1062527373 /nfs/dbraw/zinc/52/73/73/1062527373.db2.gz NHRAMGBVTQWYIL-GFCCVEGCSA-N 0 3 309.253 4.312 20 30 DIEDHN C=CCCCCCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459971099 1062538645 /nfs/dbraw/zinc/53/86/45/1062538645.db2.gz OKQDFTUBFSLBQE-CALCHBBNSA-N 0 3 322.493 4.207 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccc(F)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460028493 1062582522 /nfs/dbraw/zinc/58/25/22/1062582522.db2.gz JEASLVFPQKFQFU-INIZCTEOSA-N 0 3 306.381 4.301 20 30 DIEDHN Cc1ccc([C@@H]2C[C@H](C)N(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001460028874 1062583374 /nfs/dbraw/zinc/58/33/74/1062583374.db2.gz JPRJTBCBBHOEGX-FXAWDEMLSA-N 0 3 307.412 4.364 20 30 DIEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cc(Cl)ccc1Cl ZINC001460032988 1062587168 /nfs/dbraw/zinc/58/71/68/1062587168.db2.gz OMBMYJFTNPOOSH-ZDUSSCGKSA-N 0 3 315.288 4.494 20 30 DIEDHN CCCCO[C@@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081401 1062620347 /nfs/dbraw/zinc/62/03/47/1062620347.db2.gz YFSZRIWDNSOCDG-QZTJIDSGSA-N 0 3 319.876 4.265 20 30 DIEDHN CCCCCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001460226786 1062711362 /nfs/dbraw/zinc/71/13/62/1062711362.db2.gz AKUUNKWPIAJERA-LJQANCHMSA-N 0 3 301.430 4.067 20 30 DIEDHN C=CCN(Cc1ccc([C@H](C)C(F)(F)F)cc1)[C@H](C)COC ZINC001460408988 1062839330 /nfs/dbraw/zinc/83/93/30/1062839330.db2.gz NWYYXGXQEZCQIC-KGLIPLIRSA-N 0 3 315.379 4.375 20 30 DIEDHN N#CCc1cccc2c1CCN(Cc1ccccc1C1CC1)C2 ZINC001460565751 1062913237 /nfs/dbraw/zinc/91/32/37/1062913237.db2.gz GYBDEPORQYEAEM-UHFFFAOYSA-N 0 3 302.421 4.188 20 30 DIEDHN CC(C)(C#N)CCN(Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001460630429 1062951440 /nfs/dbraw/zinc/95/14/40/1062951440.db2.gz DXIGVZRAARUNAN-FQEVSTJZSA-N 0 3 322.452 4.162 20 30 DIEDHN C=CCCCCN1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001460730418 1063025086 /nfs/dbraw/zinc/02/50/86/1063025086.db2.gz LWQODHSXHWJZGI-IBGZPJMESA-N 0 3 304.453 4.251 20 30 DIEDHN N#CC1CCC(NCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001256964086 1063061992 /nfs/dbraw/zinc/06/19/92/1063061992.db2.gz UUOAPANPJRMTBS-UHFFFAOYSA-N 0 3 315.417 4.121 20 30 DIEDHN C[C@H](NC1CCC(c2ccc(C#N)cc2)CC1)c1cscn1 ZINC001257010637 1063077171 /nfs/dbraw/zinc/07/71/71/1063077171.db2.gz DUMFKUYPGBRRIV-IGEOTXOUSA-N 0 3 311.454 4.392 20 30 DIEDHN N#Cc1ccc(C2CCC([NH2+]Cc3ccc([O-])cc3F)CC2)cc1 ZINC001257013475 1063081923 /nfs/dbraw/zinc/08/19/23/1063081923.db2.gz ICQQNWMWCMGPIQ-UHFFFAOYSA-N 0 3 324.399 4.219 20 30 DIEDHN C[N@H+](Cc1ccccc1[O-])C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019166 1063083833 /nfs/dbraw/zinc/08/38/33/1063083833.db2.gz JRZRVUXWIYDUKV-UHFFFAOYSA-N 0 3 320.436 4.422 20 30 DIEDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019166 1063083852 /nfs/dbraw/zinc/08/38/52/1063083852.db2.gz JRZRVUXWIYDUKV-UHFFFAOYSA-N 0 3 320.436 4.422 20 30 DIEDHN N#Cc1ccc(C2CCC(N3CCc4ncccc4C3)CC2)cc1 ZINC001257020809 1063084160 /nfs/dbraw/zinc/08/41/60/1063084160.db2.gz JLANZRSTLGPIJG-UHFFFAOYSA-N 0 3 317.436 4.038 20 30 DIEDHN CCCCCCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC001460862317 1063106416 /nfs/dbraw/zinc/10/64/16/1063106416.db2.gz UBXBUQYGCCTDEN-UHFFFAOYSA-N 0 3 323.399 4.164 20 30 DIEDHN C=CCC[C@@H]1CCCN1CCOc1ccccc1Br ZINC001460887438 1063117652 /nfs/dbraw/zinc/11/76/52/1063117652.db2.gz SPVXVEXJFGZKEB-CQSZACIVSA-N 0 3 324.262 4.259 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](c2ccccc2)CC1 ZINC001460946176 1063150132 /nfs/dbraw/zinc/15/01/32/1063150132.db2.gz HVJCIQLBQHMZQG-UZLBHIALSA-N 0 3 306.409 4.083 20 30 DIEDHN CCCCCCCCCC[C@H](C)n1cc(CN)c(C)nc1=N ZINC001257550798 1063333023 /nfs/dbraw/zinc/33/30/23/1063333023.db2.gz VAZIHTNGGLNPCD-HNNXBMFYSA-N 0 3 306.498 4.221 20 30 DIEDHN CCc1ccccc1CNCc1cccc(O[C@H](C#N)CC)c1 ZINC001461221482 1063344757 /nfs/dbraw/zinc/34/47/57/1063344757.db2.gz XYFZWNNBMKJXAS-IBGZPJMESA-N 0 3 308.425 4.220 20 30 DIEDHN C=CCN(Cc1ccccc1F)C[C@H]1CC(C)(C)OC1(C)C ZINC001473118589 1063423962 /nfs/dbraw/zinc/42/39/62/1063423962.db2.gz MWUUEZLISWUHKE-MRXNPFEDSA-N 0 3 305.437 4.407 20 30 DIEDHN C=C1C[C@@H]2CC(n3nc(-c4ccccc4)cc3CN)C[C@H](C1)C2 ZINC001257887259 1063424608 /nfs/dbraw/zinc/42/46/08/1063424608.db2.gz ZECQQIKHWWSZKN-BYICEURKSA-N 0 3 307.441 4.316 20 30 DIEDHN C=CCN(Cc1cnc(OC)c(Cl)c1)CC1CCCCC1 ZINC001473162032 1063465693 /nfs/dbraw/zinc/46/56/93/1063465693.db2.gz BFAIAJVPKVFEFG-UHFFFAOYSA-N 0 3 308.853 4.312 20 30 DIEDHN CCCCCCC[C@H](C)N1CCc2nc(C3CC3)ncc2C1 ZINC001258050927 1063481479 /nfs/dbraw/zinc/48/14/79/1063481479.db2.gz ZPWPBDSOSWBAHJ-HNNXBMFYSA-N 0 3 301.478 4.461 20 30 DIEDHN CCCCCCC[C@@H](C)N1CCCN(C(=O)c2ccco2)CC1 ZINC001258049971 1063482699 /nfs/dbraw/zinc/48/26/99/1063482699.db2.gz QQQDBALPBAPEEF-QGZVFWFLSA-N 0 3 320.477 4.177 20 30 DIEDHN C=C[C@@H](COC)NCc1cccc(-c2ccc(Cl)cc2)c1 ZINC001461448654 1063513029 /nfs/dbraw/zinc/51/30/29/1063513029.db2.gz RYYOPRKVTNCHOY-SFHVURJKSA-N 0 3 301.817 4.298 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001461454084 1063516294 /nfs/dbraw/zinc/51/62/94/1063516294.db2.gz WERDLMJMTVAZFV-INIZCTEOSA-N 0 3 319.351 4.048 20 30 DIEDHN C[C@@H](CC(C)(C)SCc1ccco1)N1CC[C@@](C)(C#N)C1 ZINC001258315086 1063606805 /nfs/dbraw/zinc/60/68/05/1063606805.db2.gz ATHOHZGCBDRKFC-YOEHRIQHSA-N 0 3 306.475 4.306 20 30 DIEDHN C=C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC001461899650 1063786933 /nfs/dbraw/zinc/78/69/33/1063786933.db2.gz IKSIRAMOSCNKTE-UHFFFAOYSA-N 0 3 318.464 4.401 20 30 DIEDHN C[C@H](Cc1cccc(Cl)c1)NC(=N)c1ccc2ccccc2n1 ZINC001258742806 1063792326 /nfs/dbraw/zinc/79/23/26/1063792326.db2.gz ULHIFCDQBBRVJH-CYBMUJFWSA-N 0 3 323.827 4.225 20 30 DIEDHN C[C@@H](Cc1cccc(Cl)c1)N1CCc2cc(C#N)ccc2C1 ZINC001258745291 1063794215 /nfs/dbraw/zinc/79/42/15/1063794215.db2.gz LGRKWDAFZRETLO-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN N#CC(C(=O)CCc1ccc2ccccc2c1)c1cccc(F)n1 ZINC001263377722 1063982283 /nfs/dbraw/zinc/98/22/83/1063982283.db2.gz KCOKHOKWQYVPTB-KRWDZBQOSA-N 0 3 318.351 4.183 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001303274471 1065111924 /nfs/dbraw/zinc/11/19/24/1065111924.db2.gz VITURSUAIKNKGD-OKZBNKHCSA-N 0 3 308.510 4.068 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N[C@H]1CN(C)CC1(C)C ZINC001303988336 1065126511 /nfs/dbraw/zinc/12/65/11/1065126511.db2.gz HQGIXGRHDSTILZ-NJWFCXLTSA-N 0 3 308.510 4.140 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1 ZINC000751504420 1065195276 /nfs/dbraw/zinc/19/52/76/1065195276.db2.gz IWXJBCQQEDYFIU-MRXNPFEDSA-N 0 3 311.400 4.387 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](OC)c1ccccc1 ZINC001307424235 1065383087 /nfs/dbraw/zinc/38/30/87/1065383087.db2.gz SPSFOOAUHXVJPX-HXUWFJFHSA-N 0 3 311.425 4.071 20 30 DIEDHN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H]1C1CCCCC1 ZINC001307421673 1065383716 /nfs/dbraw/zinc/38/37/16/1065383716.db2.gz IYLIYWWPMXSCGY-QGZVFWFLSA-N 0 3 313.401 4.011 20 30 DIEDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCOc2cccc(C#N)c2)o1 ZINC001307497190 1065441993 /nfs/dbraw/zinc/44/19/93/1065441993.db2.gz RANXCDQNLZIVNZ-KXBFYZLASA-N 0 3 324.424 4.312 20 30 DIEDHN N#CCC1(CN[C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC001307634066 1065531181 /nfs/dbraw/zinc/53/11/81/1065531181.db2.gz ZGIQZDKGNVRCKF-IBGZPJMESA-N 0 3 306.409 4.090 20 30 DIEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(C)c(F)c1 ZINC001307644696 1065535839 /nfs/dbraw/zinc/53/58/39/1065535839.db2.gz QZYKQUJGUOFAHT-SFHVURJKSA-N 0 3 300.352 4.386 20 30 DIEDHN Cc1ccccc1C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001307670095 1065553692 /nfs/dbraw/zinc/55/36/92/1065553692.db2.gz NQUNBRAEVRYRKR-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN N#Cc1ccc(Br)c(CN2CCCCCCCC2)c1 ZINC001307772328 1065612983 /nfs/dbraw/zinc/61/29/83/1065612983.db2.gz ADWYNEDADAGBNC-UHFFFAOYSA-N 0 3 321.262 4.477 20 30 DIEDHN CN(Cc1ccc(F)cc1C#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001307832145 1065643810 /nfs/dbraw/zinc/64/38/10/1065643810.db2.gz ITNGLMJAPNTKHF-UXHICEINSA-N 0 3 308.400 4.465 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC001307960986 1065701795 /nfs/dbraw/zinc/70/17/95/1065701795.db2.gz FFNZGWOVRJMTTR-OAHLLOKOSA-N 0 3 312.413 4.138 20 30 DIEDHN C#CCC1(NCc2ccc(Cl)cc2Br)CCC1 ZINC001308101815 1065762528 /nfs/dbraw/zinc/76/25/28/1065762528.db2.gz SZCBSMFPFLZVOM-UHFFFAOYSA-N 0 3 312.638 4.138 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001308138123 1065774454 /nfs/dbraw/zinc/77/44/54/1065774454.db2.gz WFBSHALJIYDRLT-HNNXBMFYSA-N 0 3 315.392 4.115 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCC[C@H](SC)C1 ZINC001308269638 1065868722 /nfs/dbraw/zinc/86/87/22/1065868722.db2.gz VGJHOZDRMJIUHW-KBPBESRZSA-N 0 3 323.889 4.116 20 30 DIEDHN C=C(CC)CNCc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001308435007 1065986033 /nfs/dbraw/zinc/98/60/33/1065986033.db2.gz CTRSKLVNFHGOEH-UHFFFAOYSA-N 0 3 311.473 4.285 20 30 DIEDHN N#CCc1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001308446635 1065993608 /nfs/dbraw/zinc/99/36/08/1065993608.db2.gz AMFBFPJIDAAIQT-UHFFFAOYSA-N 0 3 322.305 4.200 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(F)cc2C)cc1 ZINC001308513368 1066039239 /nfs/dbraw/zinc/03/92/39/1066039239.db2.gz NBPXQEMWLBDUOS-MRXNPFEDSA-N 0 3 311.400 4.387 20 30 DIEDHN CSc1ccc(CNCc2ccc3occc3c2)cc1C#N ZINC001308519199 1066042852 /nfs/dbraw/zinc/04/28/52/1066042852.db2.gz FCXCSJAHXAWWEP-UHFFFAOYSA-N 0 3 308.406 4.316 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(-c3cnco3)cc2)c1 ZINC001308542275 1066058226 /nfs/dbraw/zinc/05/82/26/1066058226.db2.gz FAINDIAZJMCZTM-UHFFFAOYSA-N 0 3 320.392 4.196 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@@H](C)C[C@H]2C)cc1OC ZINC001308569759 1066078297 /nfs/dbraw/zinc/07/82/97/1066078297.db2.gz JTJMHDDXZSYFBE-QWHCGFSZSA-N 0 3 309.837 4.144 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)C[C@@H]2C)cc1OC ZINC001308569757 1066079851 /nfs/dbraw/zinc/07/98/51/1066079851.db2.gz JTJMHDDXZSYFBE-OLZOCXBDSA-N 0 3 309.837 4.144 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2c1CCC2 ZINC001308630556 1066125919 /nfs/dbraw/zinc/12/59/19/1066125919.db2.gz BEXRQRWDJRWSDK-UHFFFAOYSA-N 0 3 302.421 4.235 20 30 DIEDHN C=CCN(Cc1ccc(/C=C\C(=O)OC)o1)CC1CCCCC1 ZINC001308633902 1066129271 /nfs/dbraw/zinc/12/92/71/1066129271.db2.gz GGHWAYQDZKTLLN-QXMHVHEDSA-N 0 3 317.429 4.034 20 30 DIEDHN C=CCN(Cc1cnn(CC2CCC2)c1)CC1CCCCC1 ZINC001308635699 1066130293 /nfs/dbraw/zinc/13/02/93/1066130293.db2.gz UYRIOLRTHGDFCR-UHFFFAOYSA-N 0 3 301.478 4.252 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1csc(C#N)c1 ZINC001308643386 1066134312 /nfs/dbraw/zinc/13/43/12/1066134312.db2.gz QNCGFUANTZZJNP-BZNIZROVSA-N 0 3 320.845 4.139 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001308647805 1066135373 /nfs/dbraw/zinc/13/53/73/1066135373.db2.gz WCGLNEGHSAOMNO-OKILXGFUSA-N 0 3 323.864 4.391 20 30 DIEDHN C=CCCCCCCNCc1cc(Br)cnc1F ZINC001308752814 1066224736 /nfs/dbraw/zinc/22/47/36/1066224736.db2.gz FFDXBAZGUCGDKO-UHFFFAOYSA-N 0 3 315.230 4.209 20 30 DIEDHN C#C[C@@H](N[C@@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786109 1066262575 /nfs/dbraw/zinc/26/25/75/1066262575.db2.gz JAWHSOGBJMEREH-KBXCAEBGSA-N 0 3 313.441 4.443 20 30 DIEDHN C#C[C@@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001308794137 1066271401 /nfs/dbraw/zinc/27/14/01/1066271401.db2.gz ISVVIUNZRUIXSW-MRXNPFEDSA-N 0 3 316.445 4.171 20 30 DIEDHN CC1(C)[C@@H](CNCc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC001308810661 1066286257 /nfs/dbraw/zinc/28/62/57/1066286257.db2.gz RFNQHIPYGZCWNH-HKUYNNGSSA-N 0 3 308.400 4.227 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1F ZINC001308809901 1066286919 /nfs/dbraw/zinc/28/69/19/1066286919.db2.gz SFGBXBPFDPCSKP-MLGOLLRUSA-N 0 3 318.754 4.136 20 30 DIEDHN N#CC1(CNCCCCc2cccc(C(F)(F)F)c2)CCC1 ZINC001308823915 1066298973 /nfs/dbraw/zinc/29/89/73/1066298973.db2.gz ALOQUHFIQNKCTO-UHFFFAOYSA-N 0 3 310.363 4.312 20 30 DIEDHN C#Cc1ccc(CN2CCC(Cc3nc(CC)cs3)CC2)cc1 ZINC001308840265 1066315479 /nfs/dbraw/zinc/31/54/79/1066315479.db2.gz KDTDZLJFGIXWMG-UHFFFAOYSA-N 0 3 324.493 4.142 20 30 DIEDHN C#Cc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC001308884773 1066365353 /nfs/dbraw/zinc/36/53/53/1066365353.db2.gz XYSOYILJLKORPK-UHFFFAOYSA-N 0 3 315.416 4.108 20 30 DIEDHN C=C(C)COc1cc(CNCc2cccs2)ccc1OC ZINC000057959229 334953031 /nfs/dbraw/zinc/95/30/31/334953031.db2.gz FCPCMRCAYUCVQZ-UHFFFAOYSA-N 0 3 303.427 4.001 20 30 DIEDHN CC1CCN(c2ccc(CNCc3ccc(C#N)cc3)cc2)CC1 ZINC000108423683 185512729 /nfs/dbraw/zinc/51/27/29/185512729.db2.gz BCCFEPYLZNIBQY-UHFFFAOYSA-N 0 3 319.452 4.084 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3c1cccc3Cl)CC2 ZINC000563783396 335007120 /nfs/dbraw/zinc/00/71/20/335007120.db2.gz WVAWRQOSKLJQNK-OALUTQOASA-N 0 3 308.812 4.476 20 30 DIEDHN N#CC1(c2ccccc2)CCN(CCCc2ccccc2)CC1 ZINC000039199435 183015023 /nfs/dbraw/zinc/01/50/23/183015023.db2.gz XYOLVZKHEFSPGO-UHFFFAOYSA-N 0 3 304.437 4.177 20 30 DIEDHN CSCc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000275622479 130351413 /nfs/dbraw/zinc/35/14/13/130351413.db2.gz AEYBOVFYNODUGP-CYBMUJFWSA-N 0 3 314.429 4.411 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OC2CCCCC2)CC1 ZINC000275721959 130371517 /nfs/dbraw/zinc/37/15/17/130371517.db2.gz SPSXMABGSRONDF-MRXNPFEDSA-N 0 3 312.457 4.433 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924862 131210167 /nfs/dbraw/zinc/21/01/67/131210167.db2.gz DXIFZVWFKGHYHS-LSDHHAIUSA-N 0 3 324.424 4.296 20 30 DIEDHN COc1ccc2c(c1F)CC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000289367395 131378725 /nfs/dbraw/zinc/37/87/25/131378725.db2.gz ZWXOPDLHQHUKFM-YVEFUNNKSA-N 0 3 310.372 4.044 20 30 DIEDHN C=CCC[C@H](CCC)N[C@H](C)c1ncc(Br)cn1 ZINC000570502713 332764862 /nfs/dbraw/zinc/76/48/62/332764862.db2.gz MNJZLAJTOYGRPR-YPMHNXCESA-N 0 3 312.255 4.025 20 30 DIEDHN N#Cc1cccc(C2(NCCSc3ccc(F)cc3)CC2)c1 ZINC000556510465 331711606 /nfs/dbraw/zinc/71/16/06/331711606.db2.gz KDXSRDOZHPCPLJ-UHFFFAOYSA-N 0 3 312.413 4.068 20 30 DIEDHN C=CCC[C@@H](NCCc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000556873419 331746087 /nfs/dbraw/zinc/74/60/87/331746087.db2.gz XJZJALZTDCYFEE-LJQANCHMSA-N 0 3 321.424 4.305 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3ccc(OC)cc32)cc1 ZINC000556912085 331752753 /nfs/dbraw/zinc/75/27/53/331752753.db2.gz KBIDHPXZPJWHSF-FQEVSTJZSA-N 0 3 309.409 4.037 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)c(F)c1 ZINC000520042778 332030350 /nfs/dbraw/zinc/03/03/50/332030350.db2.gz DQOYDCJQVQBIDT-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCC[C@@H](Nc1cccc(OCCN(C)C)c1)c1ccco1 ZINC000569367218 332064763 /nfs/dbraw/zinc/06/47/63/332064763.db2.gz NMQRWDZSTVEIJS-GOSISDBHSA-N 0 3 314.429 4.339 20 30 DIEDHN N#Cc1cccc(CN2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000518554858 332080798 /nfs/dbraw/zinc/08/07/98/332080798.db2.gz CHLNZBVFLRDDFR-UHFFFAOYSA-N 0 3 320.436 4.109 20 30 DIEDHN Cc1n[nH]cc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363720840 332232331 /nfs/dbraw/zinc/23/23/31/332232331.db2.gz SKQGBRNKUCPHBR-CQSZACIVSA-N 0 3 316.408 4.108 20 30 DIEDHN CCOc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000236951256 332252928 /nfs/dbraw/zinc/25/29/28/332252928.db2.gz BQMPGEDWGWTCPZ-UHFFFAOYSA-N 0 3 324.424 4.058 20 30 DIEDHN CC(C)c1ccc(CNCc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000564960165 332300867 /nfs/dbraw/zinc/30/08/67/332300867.db2.gz BFBIYVIXAYOMAQ-UHFFFAOYSA-N 0 3 323.396 4.074 20 30 DIEDHN C=CCC[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520607 332349720 /nfs/dbraw/zinc/34/97/20/332349720.db2.gz RCFNZUIGPGBRPL-OALUTQOASA-N 0 3 312.457 4.049 20 30 DIEDHN C=CCC[C@H](NC[C@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521422 332349935 /nfs/dbraw/zinc/34/99/35/332349935.db2.gz OTSIXSOPNYPRPP-LSDHHAIUSA-N 0 3 304.459 4.241 20 30 DIEDHN Cc1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000237731682 332386990 /nfs/dbraw/zinc/38/69/90/332386990.db2.gz SVBQNJUXUSHMIG-UHFFFAOYSA-N 0 3 309.356 4.217 20 30 DIEDHN CN(C)Cc1cccc(NCc2cccc(OCCCC#N)c2)c1 ZINC000156535717 332474517 /nfs/dbraw/zinc/47/45/17/332474517.db2.gz VNNOOUVSPXMSFG-UHFFFAOYSA-N 0 3 323.440 4.043 20 30 DIEDHN C=CC[C@H](C(=O)Nc1cc(C)cc(CN(C)C)c1)c1ccccc1 ZINC000427646517 332476102 /nfs/dbraw/zinc/47/61/02/332476102.db2.gz RQDFWXQWALGPSZ-FQEVSTJZSA-N 0 3 322.452 4.355 20 30 DIEDHN CC(C)(C#N)CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000157390001 332514257 /nfs/dbraw/zinc/51/42/57/332514257.db2.gz YXAUAVGBJJKODR-UHFFFAOYSA-N 0 3 313.470 4.416 20 30 DIEDHN Fc1cc(CNC2CC(C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000562893877 332637700 /nfs/dbraw/zinc/63/77/00/332637700.db2.gz JTNSXLFALLFRIL-UHFFFAOYSA-N 0 3 315.232 4.275 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(OCC#N)cc1 ZINC000171405042 332644845 /nfs/dbraw/zinc/64/48/45/332644845.db2.gz BZCPSYYNDQJBTQ-DYVFJYSZSA-N 0 3 312.438 4.379 20 30 DIEDHN CCN(Cc1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170643439 333037826 /nfs/dbraw/zinc/03/78/26/333037826.db2.gz GMEBRRSGDJIWRZ-HNNXBMFYSA-N 0 3 321.424 4.100 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)s2)C(C)(C)C)cc1 ZINC000580259266 333043218 /nfs/dbraw/zinc/04/32/18/333043218.db2.gz AVLDRRKBGNMGLD-UHFFFAOYSA-N 0 3 314.454 4.429 20 30 DIEDHN CCc1ccc([C@H]2C[C@H](C)CCN2CCCSCC#N)o1 ZINC000466742849 333082088 /nfs/dbraw/zinc/08/20/88/333082088.db2.gz HNYPNZUIOKFXND-GDBMZVCRSA-N 0 3 306.475 4.262 20 30 DIEDHN CC(C)(C#N)CCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000174811335 333090936 /nfs/dbraw/zinc/09/09/36/333090936.db2.gz DQCMDRDIVOWNDE-HNNXBMFYSA-N 0 3 306.475 4.059 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000178509281 333140058 /nfs/dbraw/zinc/14/00/58/333140058.db2.gz JQBNQLGICZCJHT-AWEZNQCLSA-N 0 3 310.363 4.262 20 30 DIEDHN C[C@@H](NCCCCC#N)c1cc(Cl)ccc1OC(F)F ZINC000178647826 333141898 /nfs/dbraw/zinc/14/18/98/333141898.db2.gz YUDPGNZIHUSTMU-SNVBAGLBSA-N 0 3 302.752 4.286 20 30 DIEDHN Cc1ccccc1[C@@H](NCc1ccc(OCC#N)cc1)C1CC1 ZINC000180165616 333159148 /nfs/dbraw/zinc/15/91/48/333159148.db2.gz SZDHYRXYHCCDQT-FQEVSTJZSA-N 0 3 306.409 4.138 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(OCC#N)cc1 ZINC000180550110 333162986 /nfs/dbraw/zinc/16/29/86/333162986.db2.gz OPPWJWIAIFUXAK-VBKZILBWSA-N 0 3 324.399 4.141 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779553 333213685 /nfs/dbraw/zinc/21/36/85/333213685.db2.gz BQYVOBKJIPYHLD-ZWNOBZJWSA-N 0 3 300.299 4.016 20 30 DIEDHN CC(C)(C)OCc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185807799 333214406 /nfs/dbraw/zinc/21/44/06/333214406.db2.gz GDPBJJKDQOHJFW-YJBOKZPZSA-N 0 3 300.446 4.174 20 30 DIEDHN COc1ccc(O)c([C@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000186150738 333217401 /nfs/dbraw/zinc/21/74/01/333217401.db2.gz BNFJCYSFCVUUCF-KSSFIOAISA-N 0 3 310.397 4.096 20 30 DIEDHN COc1ccc(O)c([C@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000186150773 333217426 /nfs/dbraw/zinc/21/74/26/333217426.db2.gz BNFJCYSFCVUUCF-KBXCAEBGSA-N 0 3 310.397 4.096 20 30 DIEDHN N#CCC1(CN[C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000430738046 335129742 /nfs/dbraw/zinc/12/97/42/335129742.db2.gz YBHMLZWKNULBMW-OAHLLOKOSA-N 0 3 319.246 4.184 20 30 DIEDHN CCC(CC)(CC)SCC(=O)C(C#N)c1nc(C)cs1 ZINC000191934025 333283767 /nfs/dbraw/zinc/28/37/67/333283767.db2.gz ZQXVVAYCTHVVAY-LBPRGKRZSA-N 0 3 310.488 4.330 20 30 DIEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294577 333301279 /nfs/dbraw/zinc/30/12/79/333301279.db2.gz CMOFRARCYKZFNR-ORYQWCPZSA-N 0 3 320.436 4.059 20 30 DIEDHN CC[C@@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1Br ZINC000492609380 333305384 /nfs/dbraw/zinc/30/53/84/333305384.db2.gz SZJKAAVYJQTVDH-SMDDNHRTSA-N 0 3 307.235 4.084 20 30 DIEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000463233944 333350034 /nfs/dbraw/zinc/35/00/34/333350034.db2.gz FXEWFBZXVUKPBF-XYJFISCASA-N 0 3 300.446 4.344 20 30 DIEDHN CSc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCC2 ZINC000563136628 333395928 /nfs/dbraw/zinc/39/59/28/333395928.db2.gz YYODHTXBAAKTPH-LJQANCHMSA-N 0 3 308.450 4.447 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613832 333497255 /nfs/dbraw/zinc/49/72/55/333497255.db2.gz PWDDWWSLNXQIEO-AUUYWEPGSA-N 0 3 306.409 4.295 20 30 DIEDHN Cc1nc(-c2ccc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)cc2)cs1 ZINC000339066534 333507931 /nfs/dbraw/zinc/50/79/31/333507931.db2.gz FSQZZYZAAVSWBV-RVSPLBMKSA-N 0 3 311.454 4.461 20 30 DIEDHN CC(C)CC[C@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000339069263 333507977 /nfs/dbraw/zinc/50/79/77/333507977.db2.gz SLFRDDDUILVYGD-KRWDZBQOSA-N 0 3 308.853 4.337 20 30 DIEDHN C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418609 333609334 /nfs/dbraw/zinc/60/93/34/333609334.db2.gz NYFJFRBZYPMHRJ-WFASDCNBSA-N 0 3 318.852 4.234 20 30 DIEDHN C[C@H](CCC#N)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000411799634 333706955 /nfs/dbraw/zinc/70/69/55/333706955.db2.gz MNGJAOSEMRSNQC-CQSZACIVSA-N 0 3 308.828 4.379 20 30 DIEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1-c1cc(C)ccc1C ZINC000414170260 333907363 /nfs/dbraw/zinc/90/73/63/333907363.db2.gz SLYFRUXRKLQWAB-MRXNPFEDSA-N 0 3 324.472 4.388 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(Br)c(F)c1 ZINC000414164498 333915843 /nfs/dbraw/zinc/91/58/43/333915843.db2.gz KFWPPARWXAPMRV-JTQLQIEISA-N 0 3 313.214 4.179 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1cc(Br)cs1 ZINC000414165117 333916042 /nfs/dbraw/zinc/91/60/42/333916042.db2.gz LIXILROJDZJOTI-VIFPVBQESA-N 0 3 301.253 4.101 20 30 DIEDHN COc1cccc([C@@H]2C[C@H]2CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000414344348 333942941 /nfs/dbraw/zinc/94/29/41/333942941.db2.gz RJHABZBYOGOQCI-AZOIQLNYSA-N 0 3 324.399 4.160 20 30 DIEDHN C[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C[C@@H](c2ccccc2)C1 ZINC000414508995 334001807 /nfs/dbraw/zinc/00/18/07/334001807.db2.gz DPZNVGHWSYWBRB-CWRNSKLLSA-N 0 3 311.454 4.077 20 30 DIEDHN CC(C)(C#N)CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270662410 334015333 /nfs/dbraw/zinc/01/53/33/334015333.db2.gz PENOPWOQPHHXQO-QGZVFWFLSA-N 0 3 320.864 4.025 20 30 DIEDHN CC(C)N(Cc1ccco1)Cc1ccc(N(C)CCC#N)cc1 ZINC000271037284 334017663 /nfs/dbraw/zinc/01/76/63/334017663.db2.gz GPHYFXLFOAIHIQ-UHFFFAOYSA-N 0 3 311.429 4.040 20 30 DIEDHN COc1cccc([C@H](C)NCc2ccccc2C(C)(C)C#N)c1 ZINC000271661750 334025495 /nfs/dbraw/zinc/02/54/95/334025495.db2.gz LGTUKOHGKRSZIR-HNNXBMFYSA-N 0 3 308.425 4.347 20 30 DIEDHN Cc1cc([C@@H](NCc2ccc(OCC#N)cc2)C2CC2)ccc1F ZINC000271800795 334027369 /nfs/dbraw/zinc/02/73/69/334027369.db2.gz XSWHYLBGOLTEHL-FQEVSTJZSA-N 0 3 324.399 4.277 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(OCc2ccccn2)c1 ZINC000271986655 334029546 /nfs/dbraw/zinc/02/95/46/334029546.db2.gz CPSVIOAZFINDIA-INIZCTEOSA-N 0 3 323.440 4.251 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(OCC#N)cc2)cc1C ZINC000273332550 334045346 /nfs/dbraw/zinc/04/53/46/334045346.db2.gz JHPOBRHBKQJLKR-INIZCTEOSA-N 0 3 324.424 4.065 20 30 DIEDHN CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(CC#N)cc2)s1 ZINC000343525914 335174635 /nfs/dbraw/zinc/17/46/35/335174635.db2.gz KOUZBWOAGQPWHP-CQSZACIVSA-N 0 3 313.470 4.273 20 30 DIEDHN N#CCCCCN1CC=C(c2cccc(Br)c2)CC1 ZINC000273907358 334053002 /nfs/dbraw/zinc/05/30/02/334053002.db2.gz YREUFTNBSMSELI-UHFFFAOYSA-N 0 3 319.246 4.232 20 30 DIEDHN CCCCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000274574458 334063407 /nfs/dbraw/zinc/06/34/07/334063407.db2.gz BKYYMUHSFQLQCP-YQQAZPJKSA-N 0 3 316.445 4.217 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000274584804 334063578 /nfs/dbraw/zinc/06/35/78/334063578.db2.gz DDKZYGZECQXLLK-HFBAOOFYSA-N 0 3 308.347 4.438 20 30 DIEDHN C[C@@H](CCC#N)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000276334534 334075739 /nfs/dbraw/zinc/07/57/39/334075739.db2.gz RQSWSEYHDPPYKB-LBPRGKRZSA-N 0 3 317.820 4.353 20 30 DIEDHN C[C@H](c1ccsc1)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000278631690 334098918 /nfs/dbraw/zinc/09/89/18/334098918.db2.gz GKCCENCRDCYCQC-MRXNPFEDSA-N 0 3 319.518 4.147 20 30 DIEDHN COC[C@@H](NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278839931 334101928 /nfs/dbraw/zinc/10/19/28/334101928.db2.gz KROISGARJIUJMJ-MRXNPFEDSA-N 0 3 308.853 4.337 20 30 DIEDHN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000279651597 334110924 /nfs/dbraw/zinc/11/09/24/334110924.db2.gz BYFZWZTZYSIPSC-VDGAXYAQSA-N 0 3 308.425 4.397 20 30 DIEDHN C[C@H]1CCN(CCCC2(C#N)CCOCC2)[C@@H](c2ccco2)C1 ZINC000281901003 334129546 /nfs/dbraw/zinc/12/95/46/334129546.db2.gz FPMTYISMJPACRY-DLBZAZTESA-N 0 3 316.445 4.153 20 30 DIEDHN CC[C@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000281976834 334130127 /nfs/dbraw/zinc/13/01/27/334130127.db2.gz LPNCPOSVJKBSEK-KRWDZBQOSA-N 0 3 322.399 4.106 20 30 DIEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1c(F)cccc1Cl ZINC000281999368 334130298 /nfs/dbraw/zinc/13/02/98/334130298.db2.gz NLTAEJKGWJYUMQ-CYBMUJFWSA-N 0 3 324.827 4.230 20 30 DIEDHN CC[C@H](NCCCC1(C#N)CCOCC1)c1cc(F)ccc1F ZINC000282101349 334131449 /nfs/dbraw/zinc/13/14/49/334131449.db2.gz WBYDOGOSXQPWMG-KRWDZBQOSA-N 0 3 322.399 4.106 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217703 334156721 /nfs/dbraw/zinc/15/67/21/334156721.db2.gz FWQRGRMSWMDNJK-ZMSDIMECSA-N 0 3 307.397 4.217 20 30 DIEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290318771 334172359 /nfs/dbraw/zinc/17/23/59/334172359.db2.gz CTTKOYMMBBCWRR-HXUWFJFHSA-N 0 3 322.456 4.015 20 30 DIEDHN C[C@H](NCCCCC#N)c1csc(-c2ccccc2F)n1 ZINC000291064259 334176061 /nfs/dbraw/zinc/17/60/61/334176061.db2.gz AMGAXGJPTYRCRH-LBPRGKRZSA-N 0 3 303.406 4.294 20 30 DIEDHN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC[C@@H](C#N)CCC#N ZINC000293159938 334196283 /nfs/dbraw/zinc/19/62/83/334196283.db2.gz UUZQGVSQGHFHTM-AEFFLSMTSA-N 0 3 317.864 4.330 20 30 DIEDHN C[C@@H](c1ccc(CN2CCC(C)(C#N)CC2)cc1)C(F)(F)F ZINC000294885521 334213998 /nfs/dbraw/zinc/21/39/98/334213998.db2.gz CJJPYPVRJFWFET-ZDUSSCGKSA-N 0 3 310.363 4.478 20 30 DIEDHN CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000299417470 334255275 /nfs/dbraw/zinc/25/52/75/334255275.db2.gz QWUYKMVKISSUIU-HXUWFJFHSA-N 0 3 307.441 4.277 20 30 DIEDHN CN(CCC#N)c1ccc(CNC(C)(C)c2ccccc2)cc1 ZINC000299467839 334255447 /nfs/dbraw/zinc/25/54/47/334255447.db2.gz MGNGTDINOSBTDD-UHFFFAOYSA-N 0 3 307.441 4.061 20 30 DIEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646168 334257013 /nfs/dbraw/zinc/25/70/13/334257013.db2.gz KRIJBRCGXZVCRM-JKSUJKDBSA-N 0 3 321.424 4.282 20 30 DIEDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000303809325 334328091 /nfs/dbraw/zinc/32/80/91/334328091.db2.gz YOXMEDPHJQNQFN-WBVHZDCISA-N 0 3 308.400 4.384 20 30 DIEDHN C=CCOc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341711611 334472935 /nfs/dbraw/zinc/47/29/35/334472935.db2.gz OVKJAJZAMHMCJE-FQEVSTJZSA-N 0 3 318.420 4.290 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2cc(F)ccc21 ZINC000341752719 334476811 /nfs/dbraw/zinc/47/68/11/334476811.db2.gz WSOFBSANSDUDFL-UXHICEINSA-N 0 3 306.384 4.352 20 30 DIEDHN N#Cc1cccc(C2(N[C@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000342790961 334571745 /nfs/dbraw/zinc/57/17/45/334571745.db2.gz NNTOBNJVHRGVAE-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(CNC)c1 ZINC000415962992 334632099 /nfs/dbraw/zinc/63/20/99/334632099.db2.gz QRCQOBVFTVSAIV-UHFFFAOYSA-N 0 3 323.440 4.016 20 30 DIEDHN COc1ccsc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417362237 334739349 /nfs/dbraw/zinc/73/93/49/334739349.db2.gz JLKGUQCBHAOWLM-LRDDRELGSA-N 0 3 312.438 4.357 20 30 DIEDHN Cc1nn(C(C)C)cc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000343631232 335183135 /nfs/dbraw/zinc/18/31/35/335183135.db2.gz YIXHJXQYQQZLEG-UHFFFAOYSA-N 0 3 324.472 4.302 20 30 DIEDHN COc1cccc(C2(F)CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000366863259 335241824 /nfs/dbraw/zinc/24/18/24/335241824.db2.gz GDMNIWSRIUCFQA-UHFFFAOYSA-N 0 3 318.436 4.286 20 30 DIEDHN C=CCN(Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000346169258 335384669 /nfs/dbraw/zinc/38/46/69/335384669.db2.gz ISYJMDBRNGZVOI-UHFFFAOYSA-N 0 3 309.438 4.122 20 30 DIEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC000114331224 335793741 /nfs/dbraw/zinc/79/37/41/335793741.db2.gz FBWIOEDPUQYEFN-SFHVURJKSA-N 0 3 320.521 4.140 20 30 DIEDHN C=CCC[C@@H](NCCOc1ncccc1Cl)c1ccco1 ZINC000572506879 338506462 /nfs/dbraw/zinc/50/64/62/338506462.db2.gz SYOPPNVAAGPFHO-CQSZACIVSA-N 0 3 306.793 4.004 20 30 DIEDHN N#CC(C(=O)c1cc[nH]c1C1CCC1)c1nccc2ccccc21 ZINC000584355151 336077332 /nfs/dbraw/zinc/07/73/32/336077332.db2.gz MGGZHECIQRJUTA-QGZVFWFLSA-N 0 3 315.376 4.320 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCCOc1ccc(F)cc1 ZINC000532492940 336250712 /nfs/dbraw/zinc/25/07/12/336250712.db2.gz ZOJJXUZUIMDEPJ-OAHLLOKOSA-N 0 3 312.388 4.159 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774719 336261430 /nfs/dbraw/zinc/26/14/30/336261430.db2.gz NCQHZQYDVSUGSF-SLEUVZQESA-N 0 3 307.235 4.182 20 30 DIEDHN C[C@@H]1C[C@H](C)N1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990401 336278093 /nfs/dbraw/zinc/27/80/93/336278093.db2.gz LTTICXOFRVWPNN-IYBDPMFKSA-N 0 3 306.409 4.120 20 30 DIEDHN CC(C)[C@H]1C[C@@H](CNCc2nc(C#N)cs2)c2ccccc21 ZINC000352863260 336282851 /nfs/dbraw/zinc/28/28/51/336282851.db2.gz TXRDFJOECOAZAC-SUMWQHHRSA-N 0 3 311.454 4.031 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000193016804 336287088 /nfs/dbraw/zinc/28/70/88/336287088.db2.gz FQYGPOOXMQHLMM-OBJOEFQTSA-N 0 3 312.335 4.318 20 30 DIEDHN Cc1ccccc1CN1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301123537 336291123 /nfs/dbraw/zinc/29/11/23/336291123.db2.gz YGWBZSXXUXHPEW-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN N#Cc1cc(Cl)ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301209823 336294999 /nfs/dbraw/zinc/29/49/99/336294999.db2.gz UHUMQGWBOAAOCK-INIZCTEOSA-N 0 3 315.804 4.054 20 30 DIEDHN C=CCN1CCC(Nc2ccc3c(Cl)ccc(C)c3n2)CC1 ZINC000302018832 336343394 /nfs/dbraw/zinc/34/33/94/336343394.db2.gz DAVRSSMJBBSSQF-UHFFFAOYSA-N 0 3 315.848 4.259 20 30 DIEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514638489 336387263 /nfs/dbraw/zinc/38/72/63/336387263.db2.gz ARDSQZYKKSRPOL-CYBMUJFWSA-N 0 3 316.392 4.150 20 30 DIEDHN COc1cc(CN[C@@H]2CCCc3c(C)ccc(C)c32)ccc1C#N ZINC000353628599 336430028 /nfs/dbraw/zinc/43/00/28/336430028.db2.gz XLOZVLYESPCLGA-LJQANCHMSA-N 0 3 320.436 4.351 20 30 DIEDHN Cc1cccc2ncc(CN[C@@H](CCCC#N)c3ccccc3)n21 ZINC000353904403 336447263 /nfs/dbraw/zinc/44/72/63/336447263.db2.gz YASXLSCASKMFIC-IBGZPJMESA-N 0 3 318.424 4.168 20 30 DIEDHN CCc1nn(C)c(CC)c1CN[C@H](CCCC#N)c1ccccc1 ZINC000353911379 336447522 /nfs/dbraw/zinc/44/75/22/336447522.db2.gz BQWSTRJQABZCLH-LJQANCHMSA-N 0 3 324.472 4.070 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(OCCCC)CC1 ZINC000353948910 336450793 /nfs/dbraw/zinc/45/07/93/336450793.db2.gz YEQCZYKLTKPKHS-UHFFFAOYSA-N 0 3 303.446 4.033 20 30 DIEDHN C=CCSCCN[C@@H](CC)c1ccccc1OC(F)F ZINC000358028810 336607289 /nfs/dbraw/zinc/60/72/89/336607289.db2.gz URLZZYJTEQIUDO-ZDUSSCGKSA-N 0 3 301.402 4.248 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CCO)c1ccccc1 ZINC000360644482 336717171 /nfs/dbraw/zinc/71/71/71/336717171.db2.gz ALMHUJDSHASUPO-LEWJYISDSA-N 0 3 320.436 4.039 20 30 DIEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000368960856 336855750 /nfs/dbraw/zinc/85/57/50/336855750.db2.gz RDNKELWRWYOSCE-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN CC(C)c1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418136768 336897022 /nfs/dbraw/zinc/89/70/22/336897022.db2.gz AUIWWHHVYVQFRA-QGZVFWFLSA-N 0 3 311.454 4.305 20 30 DIEDHN C[C@H](NCc1ccc(-c2ccncc2)cc1)c1cccc(C#N)c1 ZINC000371510153 336906655 /nfs/dbraw/zinc/90/66/55/336906655.db2.gz RWZFMANDHPVZPX-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000582389755 336953563 /nfs/dbraw/zinc/95/35/63/336953563.db2.gz BAGOPIJFMHJYNR-NJDAHSKKSA-N 0 3 318.420 4.055 20 30 DIEDHN C[C@@H](N[C@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179129 337029013 /nfs/dbraw/zinc/02/90/13/337029013.db2.gz XSTZZUUNMUPPHQ-IIBYNOLFSA-N 0 3 320.436 4.377 20 30 DIEDHN C=C(C)[C@@H](N[C@@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613118 337038083 /nfs/dbraw/zinc/03/80/83/337038083.db2.gz YIRGMVHWNLOMDR-IAGOWNOFSA-N 0 3 307.384 4.131 20 30 DIEDHN N#CCCCOc1cccc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000377698823 337058993 /nfs/dbraw/zinc/05/89/93/337058993.db2.gz PSFGZAYQIZLNGL-HXUWFJFHSA-N 0 3 321.424 4.101 20 30 DIEDHN COc1ccc2c(c1)C1(CC1)CN(CCCCC(C)(C)C#N)C2 ZINC000377725659 337059737 /nfs/dbraw/zinc/05/97/37/337059737.db2.gz RBNWSSLIHWJBLL-UHFFFAOYSA-N 0 3 312.457 4.262 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(Br)c(Cl)c1 ZINC000459731232 337276026 /nfs/dbraw/zinc/27/60/26/337276026.db2.gz MYBSADWRGYWYSH-UHFFFAOYSA-N 0 3 315.642 4.132 20 30 DIEDHN CC(C)C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191186771 337292836 /nfs/dbraw/zinc/29/28/36/337292836.db2.gz PIGTWBGAUGJUQU-SFHVURJKSA-N 0 3 315.848 4.427 20 30 DIEDHN C=CCCCNCc1cccc(Br)c1OC(F)F ZINC000584509579 337351675 /nfs/dbraw/zinc/35/16/75/337351675.db2.gz CZKKZASEHSCOKU-UHFFFAOYSA-N 0 3 320.177 4.106 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000584583639 337368422 /nfs/dbraw/zinc/36/84/22/337368422.db2.gz MMGBQOZWTMEADB-INIZCTEOSA-N 0 3 308.347 4.342 20 30 DIEDHN COc1cc(CN[C@@H]2C[C@H](C)c3c2cccc3C)ccc1C#N ZINC000583901443 337384934 /nfs/dbraw/zinc/38/49/34/337384934.db2.gz CNKPUYPCWXASKP-KBXCAEBGSA-N 0 3 306.409 4.213 20 30 DIEDHN COc1ccc(OC)c([C@@H]2CCCN2CC(C)(C)CCC#N)c1 ZINC000120642169 337395957 /nfs/dbraw/zinc/39/59/57/337395957.db2.gz NVDQBMINOGMSQC-KRWDZBQOSA-N 0 3 316.445 4.171 20 30 DIEDHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903617 337396141 /nfs/dbraw/zinc/39/61/41/337396141.db2.gz CZFUPAPNCBDTNI-NVXWUHKLSA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC[C@@H](C#N)CCC#N ZINC000245918994 337497885 /nfs/dbraw/zinc/49/78/85/337497885.db2.gz NNQCTWFIWZZMOD-MELADBBJSA-N 0 3 323.362 4.231 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cc(C)c(C)cc2C)ccc1C#N ZINC000572023589 337587041 /nfs/dbraw/zinc/58/70/41/337587041.db2.gz KPNIVUMADISZCQ-INIZCTEOSA-N 0 3 308.425 4.343 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(C#N)s1 ZINC000421877358 337658190 /nfs/dbraw/zinc/65/81/90/337658190.db2.gz KPKIJSQDBGTSAU-KRWDZBQOSA-N 0 3 312.438 4.141 20 30 DIEDHN C=CCC[C@H](NC[C@H](C[C@H](C)O)c1ccccc1)c1ccco1 ZINC000278873153 337668125 /nfs/dbraw/zinc/66/81/25/337668125.db2.gz GIDNXBBKPBTJHY-WDSOQIARSA-N 0 3 313.441 4.431 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340644 337712897 /nfs/dbraw/zinc/71/28/97/337712897.db2.gz BZFSSYBNIGXAHQ-HXPMCKFVSA-N 0 3 309.388 4.008 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000424326453 337821364 /nfs/dbraw/zinc/82/13/64/337821364.db2.gz LTKDBZXSLLMBAI-DKSSEZFCSA-N 0 3 310.441 4.061 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC3(CCCCC3)Oc3ccccc32)C1 ZINC000424327553 337821445 /nfs/dbraw/zinc/82/14/45/337821445.db2.gz MVIKHENYLABJMM-RYRKJORJSA-N 0 3 310.441 4.495 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](c1ccccc1)C1CCC1 ZINC000119883657 337867298 /nfs/dbraw/zinc/86/72/98/337867298.db2.gz OQQWQFSWPRMLCC-HXUWFJFHSA-N 0 3 306.409 4.198 20 30 DIEDHN C=CCCC[C@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537305615 337930003 /nfs/dbraw/zinc/93/00/03/337930003.db2.gz AWYLJURYSBEWLL-UONOGXRCSA-N 0 3 318.852 4.316 20 30 DIEDHN C[C@@H](NCc1cc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000537406188 337933533 /nfs/dbraw/zinc/93/35/33/337933533.db2.gz DTJRHOHOVBNNHP-GFCCVEGCSA-N 0 3 314.429 4.488 20 30 DIEDHN C[C@@H](NCCc1cc2ccccc2o1)c1ccc(C#N)c(F)c1 ZINC000537406770 337933635 /nfs/dbraw/zinc/93/36/35/337933635.db2.gz IQRPBSVQCCATRZ-CYBMUJFWSA-N 0 3 308.356 4.337 20 30 DIEDHN N#CC(C(=O)c1cc2sccc2s1)c1nc2ccccc2[nH]1 ZINC000516074919 338003971 /nfs/dbraw/zinc/00/39/71/338003971.db2.gz KGQFWCOYMYZWCA-SECBINFHSA-N 0 3 323.402 4.329 20 30 DIEDHN CCSc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000426301499 338025637 /nfs/dbraw/zinc/02/56/37/338025637.db2.gz DEYPGDUMDSRKAN-IBGZPJMESA-N 0 3 308.450 4.447 20 30 DIEDHN CC(C)O[C@@H](CNC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000428334216 338047630 /nfs/dbraw/zinc/04/76/30/338047630.db2.gz VYINPWKPHGXGGI-FQEVSTJZSA-N 0 3 320.436 4.303 20 30 DIEDHN COc1cc(-c2ccccc2)ccc1CNCC1(CC#N)CC1 ZINC000430003449 338093241 /nfs/dbraw/zinc/09/32/41/338093241.db2.gz IQTFHKPILCMSNL-UHFFFAOYSA-N 0 3 306.409 4.146 20 30 DIEDHN N#CCC1(CNCc2ccc(-c3ccccc3F)s2)CC1 ZINC000430042842 338094382 /nfs/dbraw/zinc/09/43/82/338094382.db2.gz DDVVROICQAEETF-UHFFFAOYSA-N 0 3 300.402 4.338 20 30 DIEDHN Cc1ccc(COc2ccc(CNCC3(CC#N)CC3)cc2)cc1 ZINC000430080963 338094984 /nfs/dbraw/zinc/09/49/84/338094984.db2.gz VYWCKMVYAILPPY-UHFFFAOYSA-N 0 3 320.436 4.358 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(F)cc2)s1 ZINC000430635002 338110151 /nfs/dbraw/zinc/11/01/51/338110151.db2.gz UEWUULQYIHUIHD-GFCCVEGCSA-N 0 3 302.374 4.070 20 30 DIEDHN N#CCC1(CN[C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000430727646 338112528 /nfs/dbraw/zinc/11/25/28/338112528.db2.gz HTKUTZZIJKGFOA-IBGZPJMESA-N 0 3 308.400 4.393 20 30 DIEDHN C[C@H]1C[C@H](NCC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739296 338112936 /nfs/dbraw/zinc/11/29/36/338112936.db2.gz HOVXBOIAPHYMJV-FZMZJTMJSA-N 0 3 319.246 4.281 20 30 DIEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(SCC(F)F)cc1 ZINC000430749801 338113437 /nfs/dbraw/zinc/11/34/37/338113437.db2.gz LMGRNQNJOCQBKT-GFCCVEGCSA-N 0 3 310.413 4.388 20 30 DIEDHN COc1ccc([C@H](NCC2(CC#N)CC2)c2ccccc2)cc1 ZINC000430752476 338113582 /nfs/dbraw/zinc/11/35/82/338113582.db2.gz GQHZGIFZXKZYCP-LJQANCHMSA-N 0 3 306.409 4.068 20 30 DIEDHN CC[C@@H](NCC1(CC#N)CC1)c1cccc(Br)c1 ZINC000430758300 338113994 /nfs/dbraw/zinc/11/39/94/338113994.db2.gz CFEQGPOJVWLWBU-CQSZACIVSA-N 0 3 307.235 4.184 20 30 DIEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874416 338117559 /nfs/dbraw/zinc/11/75/59/338117559.db2.gz CTRQNQFUXLBKLG-HIFRSBDPSA-N 0 3 308.347 4.235 20 30 DIEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881786 338117967 /nfs/dbraw/zinc/11/79/67/338117967.db2.gz FKOPLXIXTSCZHF-CABCVRRESA-N 0 3 308.347 4.235 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000433013899 338176322 /nfs/dbraw/zinc/17/63/22/338176322.db2.gz PWUQVWWQXOHFQV-LJQANCHMSA-N 0 3 307.372 4.222 20 30 DIEDHN CC(=O)Nc1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433042107 338177949 /nfs/dbraw/zinc/17/79/49/338177949.db2.gz WXLOSKBUCGKUFI-FQEVSTJZSA-N 0 3 321.424 4.170 20 30 DIEDHN CC(C)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433221344 338186335 /nfs/dbraw/zinc/18/63/35/338186335.db2.gz PHCRQKNCKHVXMF-VQTJNVASSA-N 0 3 320.436 4.272 20 30 DIEDHN CCCC[C@@H](CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222645 338186504 /nfs/dbraw/zinc/18/65/04/338186504.db2.gz ZVKNNSAYWQVKPF-SJLPKXTDSA-N 0 3 300.446 4.092 20 30 DIEDHN C[C@@H](c1ccccc1F)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433225969 338186634 /nfs/dbraw/zinc/18/66/34/338186634.db2.gz KTQCJHFIPAPIID-DOTOQJQBSA-N 0 3 324.399 4.118 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000433230149 338186847 /nfs/dbraw/zinc/18/68/47/338186847.db2.gz DVOIMAUUEQSXHC-PMACEKPBSA-N 0 3 318.420 4.123 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000433303768 338190631 /nfs/dbraw/zinc/19/06/31/338190631.db2.gz LSYUTOGZHJHHFQ-PMACEKPBSA-N 0 3 324.468 4.330 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000433303770 338190690 /nfs/dbraw/zinc/19/06/90/338190690.db2.gz LSYUTOGZHJHHFQ-UXHICEINSA-N 0 3 324.468 4.330 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433313311 338191526 /nfs/dbraw/zinc/19/15/26/338191526.db2.gz VAHFYNNQLSRKLG-QGZVFWFLSA-N 0 3 307.397 4.467 20 30 DIEDHN CCC[C@]1(C)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375804 338194105 /nfs/dbraw/zinc/19/41/05/338194105.db2.gz QQQSNHIZIATVQM-UYAOXDASSA-N 0 3 312.457 4.188 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccccc1Br ZINC000435672062 338244771 /nfs/dbraw/zinc/24/47/71/338244771.db2.gz HFQDLAISQUBUSV-IOASZLSFSA-N 0 3 324.262 4.081 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1Cl ZINC000435731563 338246681 /nfs/dbraw/zinc/24/66/81/338246681.db2.gz LSMVBNIBWKQIHG-WFASDCNBSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000435733949 338246777 /nfs/dbraw/zinc/24/67/77/338246777.db2.gz VUGMCPQSBOWYEQ-HNAYVOBHSA-N 0 3 313.397 4.143 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(F)c1 ZINC000435747930 338247863 /nfs/dbraw/zinc/24/78/63/338247863.db2.gz CBDOVLZQYWKTAL-CZIWCDLHSA-N 0 3 316.326 4.011 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1F ZINC000437082622 338299801 /nfs/dbraw/zinc/29/98/01/338299801.db2.gz CWEPEEVMBIRGOP-QMTHXVAHSA-N 0 3 302.315 4.325 20 30 DIEDHN C=CCOc1cccc(CN[C@H](CC(F)(F)F)C(C)C)c1 ZINC000438465811 338344671 /nfs/dbraw/zinc/34/46/71/338344671.db2.gz CDSDARNOQCSKHR-OAHLLOKOSA-N 0 3 301.352 4.318 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1c1ccccc1C ZINC000438607179 338349805 /nfs/dbraw/zinc/34/98/05/338349805.db2.gz MZRMCGZBNUJCNR-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454228 338369948 /nfs/dbraw/zinc/36/99/48/338369948.db2.gz RJZVKWDVPXNHSP-LSDHHAIUSA-N 0 3 308.878 4.318 20 30 DIEDHN CC1(c2ccc(Br)cc2)CCN(CCCC#N)CC1 ZINC000440504765 338388651 /nfs/dbraw/zinc/38/86/51/338388651.db2.gz XTEKLBWCAUIXSB-UHFFFAOYSA-N 0 3 321.262 4.106 20 30 DIEDHN COc1cc(CNC(C)(C)c2cccc(Cl)c2)ccc1C#N ZINC000440826585 338398302 /nfs/dbraw/zinc/39/83/02/338398302.db2.gz NNENQONQFDACSW-UHFFFAOYSA-N 0 3 314.816 4.245 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790754 338431533 /nfs/dbraw/zinc/43/15/33/338431533.db2.gz HNCALPRWOKIYRC-FUHIMQAGSA-N 0 3 308.400 4.391 20 30 DIEDHN C[C@@H](NCCOc1ccccc1C#N)c1cc2ccccc2o1 ZINC000442886531 338438185 /nfs/dbraw/zinc/43/81/85/338438185.db2.gz PTCVCBXPCPOKOK-CQSZACIVSA-N 0 3 306.365 4.034 20 30 DIEDHN Cc1cccc(CNC2CCC(C)(C#N)CC2)c1Br ZINC000449269414 338608500 /nfs/dbraw/zinc/60/85/00/338608500.db2.gz NFIGWKIUWFXZMJ-UHFFFAOYSA-N 0 3 321.262 4.320 20 30 DIEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000449291836 338610064 /nfs/dbraw/zinc/61/00/64/338610064.db2.gz NXBYCAVMQUODHG-JBLZRFIASA-N 0 3 317.380 4.285 20 30 DIEDHN C=CCC[C@H](CC)NCc1nc(C)c(Br)s1 ZINC000449402243 338621181 /nfs/dbraw/zinc/62/11/81/338621181.db2.gz QHMRTCRGWWNZDW-JTQLQIEISA-N 0 3 303.269 4.048 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000449444972 338624576 /nfs/dbraw/zinc/62/45/76/338624576.db2.gz GGTDXFYJCIIOOJ-AAEUAGOBSA-N 0 3 303.456 4.044 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000449446855 338624808 /nfs/dbraw/zinc/62/48/08/338624808.db2.gz UVJFUNJQDMKYLT-ONGXEEELSA-N 0 3 301.192 4.304 20 30 DIEDHN N#Cc1ccc(CNC[C@@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000449492421 338630735 /nfs/dbraw/zinc/63/07/35/338630735.db2.gz JDNCENUNVRGMCM-LBPRGKRZSA-N 0 3 318.289 4.102 20 30 DIEDHN N#Cc1ccc(CNC2(Cc3cccc(Cl)c3)CC2)s1 ZINC000449683900 338646114 /nfs/dbraw/zinc/64/61/14/338646114.db2.gz ZLXJOVQDQWFLGB-UHFFFAOYSA-N 0 3 302.830 4.138 20 30 DIEDHN CC(C)(C#N)CCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451150980 338723271 /nfs/dbraw/zinc/72/32/71/338723271.db2.gz UUHGBALQXDWPJK-UHFFFAOYSA-N 0 3 312.335 4.104 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c(F)cccc31)CC2 ZINC000453223796 338810142 /nfs/dbraw/zinc/81/01/42/338810142.db2.gz BDOWGLSJBMDOCJ-PMACEKPBSA-N 0 3 306.384 4.352 20 30 DIEDHN C=CCC[C@@H](NCc1nc(C)c(Br)s1)C1CC1 ZINC000453273385 338817065 /nfs/dbraw/zinc/81/70/65/338817065.db2.gz WAXHATDUCJLZSB-LLVKDONJSA-N 0 3 315.280 4.048 20 30 DIEDHN CCOc1cc(CN[C@H](CCCC#N)c2ccccc2)ccc1O ZINC000459579786 339037078 /nfs/dbraw/zinc/03/70/78/339037078.db2.gz AHBVPBMCKORMIJ-GOSISDBHSA-N 0 3 324.424 4.316 20 30 DIEDHN N#CCSCCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459581926 339037146 /nfs/dbraw/zinc/03/71/46/339037146.db2.gz QSFYMMMZFFRZGY-QGZVFWFLSA-N 0 3 300.471 4.251 20 30 DIEDHN C[C@H](CCCc1cccnc1)NCC#Cc1cccc(Cl)c1 ZINC000459640326 339039754 /nfs/dbraw/zinc/03/97/54/339039754.db2.gz QBBGLQCTVIYRDN-MRXNPFEDSA-N 0 3 312.844 4.088 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000459736220 339045290 /nfs/dbraw/zinc/04/52/90/339045290.db2.gz UDFYYFKSWYXBTM-UHFFFAOYSA-N 0 3 304.340 4.254 20 30 DIEDHN C=CCOc1cccc(CNC[C@@H](C)Oc2ccccc2C)c1 ZINC000462738127 339086075 /nfs/dbraw/zinc/08/60/75/339086075.db2.gz KZZBXHXUSHUADT-QGZVFWFLSA-N 0 3 311.425 4.117 20 30 DIEDHN C[C@H](N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000462845989 339093988 /nfs/dbraw/zinc/09/39/88/339093988.db2.gz SHWXBZUYBDFLDB-GZRFBZBPSA-N 0 3 324.399 4.268 20 30 DIEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000463233941 339110816 /nfs/dbraw/zinc/11/08/16/339110816.db2.gz FXEWFBZXVUKPBF-BQFCYCMXSA-N 0 3 300.446 4.344 20 30 DIEDHN CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000463280616 339113127 /nfs/dbraw/zinc/11/31/27/339113127.db2.gz DVKINKGZNBBYPA-XYJFISCASA-N 0 3 315.461 4.067 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000463295296 339113825 /nfs/dbraw/zinc/11/38/25/339113825.db2.gz ZODHUJHRKVNQOH-AZUAARDMSA-N 0 3 320.436 4.438 20 30 DIEDHN CC(C(=O)Nc1cccc(C#Cc2ccccc2)c1)C(F)(F)F ZINC000463341690 339115163 /nfs/dbraw/zinc/11/51/63/339115163.db2.gz WZDBOSGWPKUJKW-ZDUSSCGKSA-N 0 3 317.310 4.223 20 30 DIEDHN CC(C(=O)Nc1cccc(C#Cc2ccccc2)c1)C(F)(F)F ZINC000463341689 339115201 /nfs/dbraw/zinc/11/52/01/339115201.db2.gz WZDBOSGWPKUJKW-CYBMUJFWSA-N 0 3 317.310 4.223 20 30 DIEDHN Cc1oc2ccccc2c1CCNCc1ccc(C#N)cc1F ZINC000463710065 339124276 /nfs/dbraw/zinc/12/42/76/339124276.db2.gz GMFNWNMJTDZMNH-UHFFFAOYSA-N 0 3 308.356 4.084 20 30 DIEDHN CCc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464403429 339141505 /nfs/dbraw/zinc/14/15/05/339141505.db2.gz UOAHGMCWITZDMM-AWEZNQCLSA-N 0 3 318.298 4.153 20 30 DIEDHN Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464463335 339142742 /nfs/dbraw/zinc/14/27/42/339142742.db2.gz FNBCGSGIFLXHRO-AWEZNQCLSA-N 0 3 318.298 4.207 20 30 DIEDHN C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000464852817 339157825 /nfs/dbraw/zinc/15/78/25/339157825.db2.gz MDWFEKRQYDOZDX-QAPCUYQASA-N 0 3 310.397 4.003 20 30 DIEDHN C[C@H]1CCN(CCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000464855866 339158309 /nfs/dbraw/zinc/15/83/09/339158309.db2.gz HWIVBGSJVGHEQU-YJBOKZPZSA-N 0 3 310.397 4.003 20 30 DIEDHN N#Cc1cccc(CCNCc2ccc(-c3ccccc3)o2)c1 ZINC000466411674 339203250 /nfs/dbraw/zinc/20/32/50/339203250.db2.gz FAQQAWDNLLRFAQ-UHFFFAOYSA-N 0 3 302.377 4.151 20 30 DIEDHN C[C@H](NCCOc1ccccc1C#N)c1cc2ccccc2o1 ZINC000467275431 339229595 /nfs/dbraw/zinc/22/95/95/339229595.db2.gz PTCVCBXPCPOKOK-AWEZNQCLSA-N 0 3 306.365 4.034 20 30 DIEDHN C=CCCN(C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000467385374 339235979 /nfs/dbraw/zinc/23/59/79/339235979.db2.gz ZMPMUHHLVFAAPW-UHFFFAOYSA-N 0 3 317.351 4.034 20 30 DIEDHN C=CC[C@H](CC)N[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411043 339237098 /nfs/dbraw/zinc/23/70/98/339237098.db2.gz LYGOGGZDRVYJBY-DOMZBBRYSA-N 0 3 318.852 4.234 20 30 DIEDHN CC(C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467681226 339244404 /nfs/dbraw/zinc/24/44/04/339244404.db2.gz PRTAYRCFGBHVMU-BLLLJJGKSA-N 0 3 304.821 4.189 20 30 DIEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000467868036 339248251 /nfs/dbraw/zinc/24/82/51/339248251.db2.gz QUSFXPGQBGTYOH-CQSZACIVSA-N 0 3 303.327 4.408 20 30 DIEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(F)c(C#N)c1 ZINC000468270792 339258180 /nfs/dbraw/zinc/25/81/80/339258180.db2.gz QICCBSKYJAGZTH-DYVFJYSZSA-N 0 3 312.363 4.214 20 30 DIEDHN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(C)C#N)cc1 ZINC000469698147 339295720 /nfs/dbraw/zinc/29/57/20/339295720.db2.gz OJVHBNDPOGAPPN-LSDHHAIUSA-N 0 3 322.408 4.041 20 30 DIEDHN CCCN(C(=O)C(C)C#N)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000469817956 339302022 /nfs/dbraw/zinc/30/20/22/339302022.db2.gz DLILISVLXGQKFT-WDEREUQCSA-N 0 3 313.228 4.453 20 30 DIEDHN CCCN(C(=O)C(C)C#N)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000469817952 339302014 /nfs/dbraw/zinc/30/20/14/339302014.db2.gz DLILISVLXGQKFT-GHMZBOCLSA-N 0 3 313.228 4.453 20 30 DIEDHN C=CCOCCCN(Cc1cccs1)Cc1cccs1 ZINC000470721969 339326232 /nfs/dbraw/zinc/32/62/32/339326232.db2.gz GDYBFIHVOCDDRF-UHFFFAOYSA-N 0 3 307.484 4.405 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000470907183 339330801 /nfs/dbraw/zinc/33/08/01/339330801.db2.gz CFAWHCYPIZMHOR-UHFFFAOYSA-N 0 3 308.425 4.223 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000472137998 339364032 /nfs/dbraw/zinc/36/40/32/339364032.db2.gz ICJXLVFQCBAMPR-STQMWFEESA-N 0 3 323.421 4.338 20 30 DIEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761495 339377023 /nfs/dbraw/zinc/37/70/23/339377023.db2.gz FMAOMFNOAVWMIF-WCQYABFASA-N 0 3 302.245 4.313 20 30 DIEDHN C[C@H](CCCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000480656759 339580205 /nfs/dbraw/zinc/58/02/05/339580205.db2.gz CLKKNTMVYDXVHM-MNOVXSKESA-N 0 3 302.315 4.469 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)cc1 ZINC000481383713 339602852 /nfs/dbraw/zinc/60/28/52/339602852.db2.gz SBOPYCYMTSEVDD-UGSOOPFHSA-N 0 3 314.816 4.077 20 30 DIEDHN N#Cc1csc(CNC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000481820588 339614650 /nfs/dbraw/zinc/61/46/50/339614650.db2.gz SIVQKXWNNPCBNV-UHFFFAOYSA-N 0 3 320.820 4.390 20 30 DIEDHN C(#Cc1ccccc1)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000483542859 339668621 /nfs/dbraw/zinc/66/86/21/339668621.db2.gz KKYYMBPYCFUFCG-UHFFFAOYSA-N 0 3 314.432 4.399 20 30 DIEDHN C=CCOCCCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500165396 340051836 /nfs/dbraw/zinc/05/18/36/340051836.db2.gz GUNIQENECAOBEU-UHFFFAOYSA-N 0 3 311.828 4.193 20 30 DIEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000500227644 340053502 /nfs/dbraw/zinc/05/35/02/340053502.db2.gz KTZGSRYXVRCZHO-HXUWFJFHSA-N 0 3 308.400 4.251 20 30 DIEDHN COc1cccc([C@H](C)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502506935 340106247 /nfs/dbraw/zinc/10/62/47/340106247.db2.gz LVDNGQATYMBFDR-INIZCTEOSA-N 0 3 318.420 4.417 20 30 DIEDHN N#Cc1ccc(C2=CCN(CCSc3ccccc3)CC2)cc1 ZINC000502508826 340106380 /nfs/dbraw/zinc/10/63/80/340106380.db2.gz SXSNETNJQYFIBZ-UHFFFAOYSA-N 0 3 320.461 4.440 20 30 DIEDHN C[C@@H]1C[C@]1(NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381062 340126832 /nfs/dbraw/zinc/12/68/32/340126832.db2.gz ZLPATRIVZPNHGN-AUUYWEPGSA-N 0 3 310.828 4.431 20 30 DIEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000505448397 340168683 /nfs/dbraw/zinc/16/86/83/340168683.db2.gz ZGWFWHHSDCYZQC-CDHQVMDDSA-N 0 3 318.420 4.124 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)c2nc3ccccc3s2)c1C ZINC000505777894 340177654 /nfs/dbraw/zinc/17/76/54/340177654.db2.gz RPIZVSPOQQRPNP-CYBMUJFWSA-N 0 3 321.405 4.159 20 30 DIEDHN C=CCc1cc(CN(C)[C@H](C)c2ccccc2)cc(OC)c1O ZINC000506017265 340183480 /nfs/dbraw/zinc/18/34/80/340183480.db2.gz PIYCGBLHFKODRE-OAHLLOKOSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCOc1ccc(CN(Cc2cccnc2)C(C)(C)C)cc1 ZINC000506046295 340184149 /nfs/dbraw/zinc/18/41/49/340184149.db2.gz UHSMDGIUAZXKCL-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN C=CCc1cc(CN(C)Cc2sccc2C)cc(OC)c1O ZINC000506063582 340184807 /nfs/dbraw/zinc/18/48/07/340184807.db2.gz ISKQHRSMDAAGJT-UHFFFAOYSA-N 0 3 317.454 4.131 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000506216537 340188977 /nfs/dbraw/zinc/18/89/77/340188977.db2.gz GTRHSKZWQYIVEN-UHFFFAOYSA-N 0 3 320.314 4.089 20 30 DIEDHN COc1ccccc1/C=C\CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000506553193 340196678 /nfs/dbraw/zinc/19/66/78/340196678.db2.gz VTLHSNISQLWZDM-XQRVVYSFSA-N 0 3 318.420 4.245 20 30 DIEDHN C=CCc1cc(CN(C)[C@@H]2CCc3ccccc32)cc(OC)c1O ZINC000506690453 340199758 /nfs/dbraw/zinc/19/97/58/340199758.db2.gz RMEZIDIOHMJQGG-LJQANCHMSA-N 0 3 323.436 4.249 20 30 DIEDHN COCc1ccccc1/C=C(/C)CN(C)Cc1ccc(C#N)cc1 ZINC000507189114 340211879 /nfs/dbraw/zinc/21/18/79/340211879.db2.gz INCAGIFUWYCHNV-ATVHPVEESA-N 0 3 320.436 4.240 20 30 DIEDHN CCN(CCOc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000507699626 340228650 /nfs/dbraw/zinc/22/86/50/340228650.db2.gz DDMYCDNMEUUWRX-MRXNPFEDSA-N 0 3 324.424 4.029 20 30 DIEDHN CC[C@H](c1ccccc1)N(CC)Cc1cnc2ccc(C#N)cn12 ZINC000508674200 340250227 /nfs/dbraw/zinc/25/02/27/340250227.db2.gz YDFMOVJEMYRJNN-LJQANCHMSA-N 0 3 318.424 4.179 20 30 DIEDHN C=C(C)CN(CC)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000508709741 340251225 /nfs/dbraw/zinc/25/12/25/340251225.db2.gz OSCSWCJBHOBPIQ-UHFFFAOYSA-N 0 3 305.425 4.399 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000086584632 340252636 /nfs/dbraw/zinc/25/26/36/340252636.db2.gz PENMRELJUSZVIT-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN CN(CCCOc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC000510419794 340298874 /nfs/dbraw/zinc/29/88/74/340298874.db2.gz ALLRPUJRFATUQA-UHFFFAOYSA-N 0 3 320.845 4.174 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)CCc1ccccc1 ZINC000512224832 340352982 /nfs/dbraw/zinc/35/29/82/340352982.db2.gz CNVULXKWGKOZGW-QGZVFWFLSA-N 0 3 313.441 4.171 20 30 DIEDHN CCN(CCC(=O)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000512449049 340362395 /nfs/dbraw/zinc/36/23/95/340362395.db2.gz AZKPXWJSRGEDPX-OAHLLOKOSA-N 0 3 324.399 4.353 20 30 DIEDHN COc1ccc(CC2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000512610084 340368751 /nfs/dbraw/zinc/36/87/51/340368751.db2.gz VSVYMCXDKPLXHM-UHFFFAOYSA-N 0 3 320.436 4.022 20 30 DIEDHN C[C@@H](NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512614198 340369090 /nfs/dbraw/zinc/36/90/90/340369090.db2.gz VCIAJPSWOHWIGP-CYBMUJFWSA-N 0 3 307.372 4.072 20 30 DIEDHN Cc1cccc2[nH]cc(CCN[C@@H](C)c3ccc(C#N)cc3F)c21 ZINC000512626347 340369677 /nfs/dbraw/zinc/36/96/77/340369677.db2.gz TXMPIKJMJKEWDT-AWEZNQCLSA-N 0 3 321.399 4.380 20 30 DIEDHN C[C@@H](NCCCn1ccc2ccccc21)c1ccc(C#N)cc1F ZINC000512643993 340370649 /nfs/dbraw/zinc/37/06/49/340370649.db2.gz ZBFNVHFYRIDBIA-OAHLLOKOSA-N 0 3 321.399 4.393 20 30 DIEDHN C[C@H](Cc1ccccc1F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512641876 340370670 /nfs/dbraw/zinc/37/06/70/340370670.db2.gz KTOGSJDFWGYGNO-OLZOCXBDSA-N 0 3 300.352 4.118 20 30 DIEDHN C[C@@H](Cc1ccccc1F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512641878 340370686 /nfs/dbraw/zinc/37/06/86/340370686.db2.gz KTOGSJDFWGYGNO-STQMWFEESA-N 0 3 300.352 4.118 20 30 DIEDHN C[C@H](NCC1(c2cccc(F)c2)CC1)c1ccc(C#N)cc1F ZINC000512654472 340371344 /nfs/dbraw/zinc/37/13/44/340371344.db2.gz MMPZDWQRLOOSIJ-ZDUSSCGKSA-N 0 3 312.363 4.219 20 30 DIEDHN Cc1ccc(OCCCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512660687 340371613 /nfs/dbraw/zinc/37/16/13/340371613.db2.gz OMERUDIULSFDRN-OAHLLOKOSA-N 0 3 312.388 4.126 20 30 DIEDHN Cc1ccc(CC[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661184 340371777 /nfs/dbraw/zinc/37/17/77/340371777.db2.gz QHEBCRXMOHQURP-TZMCWYRMSA-N 0 3 300.377 4.271 20 30 DIEDHN C[C@@H]1SCCN(CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000174868200 340397880 /nfs/dbraw/zinc/39/78/80/340397880.db2.gz KISZIUORVBBWAB-DOTOQJQBSA-N 0 3 302.487 4.495 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000234938552 340655222 /nfs/dbraw/zinc/65/52/22/340655222.db2.gz DBAHBLZCOFRQGB-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN CC(C)(C#N)CCNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000530394311 340790307 /nfs/dbraw/zinc/79/03/07/340790307.db2.gz QKDBESOHDCXHDZ-UHFFFAOYSA-N 0 3 314.351 4.350 20 30 DIEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297496 340879818 /nfs/dbraw/zinc/87/98/18/340879818.db2.gz FANLRDNYTCSRHI-ZJUUUORDSA-N 0 3 322.663 4.482 20 30 DIEDHN C=CCC[C@@H](NCc1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000539360868 340882509 /nfs/dbraw/zinc/88/25/09/340882509.db2.gz ARWCKQZPIOFJJL-QGZVFWFLSA-N 0 3 313.397 4.172 20 30 DIEDHN C[C@H](CN[C@H](C)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000539506483 340888214 /nfs/dbraw/zinc/88/82/14/340888214.db2.gz IRKNYMDRPIVRDH-ZIAGYGMSSA-N 0 3 314.816 4.330 20 30 DIEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342384 340927388 /nfs/dbraw/zinc/92/73/88/340927388.db2.gz BBEPBSYAHIKGBB-ZJUUUORDSA-N 0 3 306.208 4.110 20 30 DIEDHN CCCCCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000540994367 340954958 /nfs/dbraw/zinc/95/49/58/340954958.db2.gz SGGKITFZMSXCER-UHFFFAOYSA-N 0 3 300.446 4.381 20 30 DIEDHN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(CC#N)cc1)[C@H]2C ZINC000542256928 341002299 /nfs/dbraw/zinc/00/22/99/341002299.db2.gz CIVFASBJLUPBMR-CVEARBPZSA-N 0 3 320.436 4.269 20 30 DIEDHN C[C@H]1SCCN(Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000542277375 341003232 /nfs/dbraw/zinc/00/32/32/341003232.db2.gz PNXZWYIYLLKVSI-OXQOHEQNSA-N 0 3 322.477 4.431 20 30 DIEDHN CC(C)OCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942363 341027019 /nfs/dbraw/zinc/02/70/19/341027019.db2.gz PSFJUBZTRTYXQQ-INIZCTEOSA-N 0 3 308.425 4.301 20 30 DIEDHN C[C@H](NCc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000071307830 341028729 /nfs/dbraw/zinc/02/87/29/341028729.db2.gz JIAUEOYFYJQEOZ-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(-c2cccnc2)c1 ZINC000130761156 341041321 /nfs/dbraw/zinc/04/13/21/341041321.db2.gz ITTAGWLVPRJJTD-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN Clc1cccc(C#CCN[C@@H](c2cccs2)C2CC2)c1 ZINC000543439191 341044641 /nfs/dbraw/zinc/04/46/41/341044641.db2.gz WTWKOZIERNEJRZ-QGZVFWFLSA-N 0 3 301.842 4.494 20 30 DIEDHN N#CCC1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000543778989 341058409 /nfs/dbraw/zinc/05/84/09/341058409.db2.gz BBZHECWEIOTOPS-UHFFFAOYSA-N 0 3 316.351 4.350 20 30 DIEDHN COc1ccc2c(c1)C[C@@H](C)N(CCCC(C)(C)C#N)[C@@H]2C ZINC000543808936 341060082 /nfs/dbraw/zinc/06/00/82/341060082.db2.gz BGEBKNHFOBWLHL-HUUCEWRRSA-N 0 3 300.446 4.333 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(SC3CC3)cc2)n1 ZINC000543987129 341065229 /nfs/dbraw/zinc/06/52/29/341065229.db2.gz VFNIAVPJHCOISC-AWEZNQCLSA-N 0 3 314.435 4.196 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000544116042 341070771 /nfs/dbraw/zinc/07/07/71/341070771.db2.gz CMDRAWMQOPQSCC-HXUWFJFHSA-N 0 3 306.409 4.002 20 30 DIEDHN C[C@@H](C#N)CNC(CCc1ccccc1)CCc1ccccc1 ZINC000545192250 341112716 /nfs/dbraw/zinc/11/27/16/341112716.db2.gz PCAYQZSKOSCVPD-SFHVURJKSA-N 0 3 306.453 4.370 20 30 DIEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393556 341210795 /nfs/dbraw/zinc/21/07/95/341210795.db2.gz UKNMLAXZSKYXIS-OCCSQVGLSA-N 0 3 321.367 4.029 20 30 DIEDHN CCC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832726 341236461 /nfs/dbraw/zinc/23/64/61/341236461.db2.gz RAOXOGFMIGGXSM-DOTOQJQBSA-N 0 3 324.428 4.057 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000079065013 341252935 /nfs/dbraw/zinc/25/29/35/341252935.db2.gz NNKBLLMKTBPXJS-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN Cc1cc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccc1C#N ZINC000549172010 341287895 /nfs/dbraw/zinc/28/78/95/341287895.db2.gz LOPWJGFOGHMJFJ-MRXNPFEDSA-N 0 3 322.374 4.421 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676210 341300257 /nfs/dbraw/zinc/30/02/57/341300257.db2.gz ZFMCFRKFTZUNBU-XJKSGUPXSA-N 0 3 306.812 4.293 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676107 341300275 /nfs/dbraw/zinc/30/02/75/341300275.db2.gz ZFMCFRKFTZUNBU-BBRMVZONSA-N 0 3 306.812 4.293 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676209 341300284 /nfs/dbraw/zinc/30/02/84/341300284.db2.gz ZFMCFRKFTZUNBU-CZUORRHYSA-N 0 3 306.812 4.293 20 30 DIEDHN CC(C)c1ccc([C@@H]2CCCCN2CCOCCC#N)cc1 ZINC000549921591 341306640 /nfs/dbraw/zinc/30/66/40/341306640.db2.gz FKZZGOMVIXLZAZ-IBGZPJMESA-N 0 3 300.446 4.267 20 30 DIEDHN CC(C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000551799333 341352130 /nfs/dbraw/zinc/35/21/30/341352130.db2.gz SYZXSSHVXKNSJS-MRXNPFEDSA-N 0 3 324.453 4.144 20 30 DIEDHN Cc1cc(C(C)(C)C)cc(C)c1CCNC[C@H](C#N)CCC#N ZINC000551909764 341354810 /nfs/dbraw/zinc/35/48/10/341354810.db2.gz QFYSXFZSASRWPT-KRWDZBQOSA-N 0 3 311.473 4.177 20 30 DIEDHN C=CCC[C@@H](NC[C@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043698 341364522 /nfs/dbraw/zinc/36/45/22/341364522.db2.gz ZGZDWSIOZILEEC-MAUKXSAKSA-N 0 3 315.413 4.353 20 30 DIEDHN CC(C)[C@H]1N(Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000552072503 341367614 /nfs/dbraw/zinc/36/76/14/341367614.db2.gz MXSONFFBQUHSTO-GOSISDBHSA-N 0 3 300.446 4.236 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)[C@H](OC)c2ccccc2)cc1 ZINC000552085553 341368441 /nfs/dbraw/zinc/36/84/41/341368441.db2.gz BTIRIZHCOQFCGP-JXFKEZNVSA-N 0 3 311.425 4.117 20 30 DIEDHN C=CCC[C@@H](NC[C@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252457 341381599 /nfs/dbraw/zinc/38/15/99/341381599.db2.gz OCOXYKZNIDHPSH-GOEBONIOSA-N 0 3 303.377 4.483 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3Br)C1 ZINC000248925519 341390143 /nfs/dbraw/zinc/39/01/43/341390143.db2.gz XCETVUFJZFSCOR-WQGACYEGSA-N 0 3 319.246 4.108 20 30 DIEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(F)c2ccccc21 ZINC000564679817 341506537 /nfs/dbraw/zinc/50/65/37/341506537.db2.gz HVTVGUWSHZALHH-ZDUSSCGKSA-N 0 3 307.372 4.040 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000567225234 341589734 /nfs/dbraw/zinc/58/97/34/341589734.db2.gz BRGGXEHNXMYKGE-NHCUHLMSSA-N 0 3 318.420 4.295 20 30 DIEDHN CSc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1F ZINC000574453376 341759123 /nfs/dbraw/zinc/75/91/23/341759123.db2.gz VXZCEILEBDWDQV-CYBMUJFWSA-N 0 3 314.429 4.464 20 30 DIEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000575122979 341779407 /nfs/dbraw/zinc/77/94/07/341779407.db2.gz NSLIBQQNCWEUMQ-RIEGTJTDSA-N 0 3 314.326 4.469 20 30 DIEDHN CC(C)n1cc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813168 341864232 /nfs/dbraw/zinc/86/42/32/341864232.db2.gz MRKBSTGWMCLXAD-MGPUTAFESA-N 0 3 322.456 4.454 20 30 DIEDHN N#Cc1csc(CN[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000177696224 341924186 /nfs/dbraw/zinc/92/41/86/341924186.db2.gz MDCINLHURIVSGC-QGZVFWFLSA-N 0 3 300.402 4.390 20 30 DIEDHN COc1ccc([C@H](CCC#N)NCCSCC(C)C)cc1 ZINC000577703612 341930214 /nfs/dbraw/zinc/93/02/14/341930214.db2.gz DDIWKRJQANROOG-KRWDZBQOSA-N 0 3 306.475 4.019 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000182629141 519781475 /nfs/dbraw/zinc/78/14/75/519781475.db2.gz OWAULQCPSSZKQS-CQSZACIVSA-N 0 3 312.388 4.335 20 30 DIEDHN CCC1CCC(N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266623734 519853210 /nfs/dbraw/zinc/85/32/10/519853210.db2.gz GNLUVGSHPCIKLV-UHFFFAOYSA-N 0 3 324.428 4.009 20 30 DIEDHN CCCC(=O)Nc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181514604 519877798 /nfs/dbraw/zinc/87/77/98/519877798.db2.gz ZNPONNWYVHIQAC-OAHLLOKOSA-N 0 3 321.424 4.148 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(C#N)s2)c(C)c1 ZINC000188793585 520369082 /nfs/dbraw/zinc/36/90/82/520369082.db2.gz XWYFKAHIUBHOGI-UHFFFAOYSA-N 0 3 300.427 4.007 20 30 DIEDHN CCC(C)(C)[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000156878891 521365680 /nfs/dbraw/zinc/36/56/80/521365680.db2.gz ACDFWJFLXFUTPH-MRXNPFEDSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546137 522332640 /nfs/dbraw/zinc/33/26/40/522332640.db2.gz RNHLXMAPBJJPOZ-PBHICJAKSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177088 522699840 /nfs/dbraw/zinc/69/98/40/522699840.db2.gz KEAXDJWCAUJGCD-KSSFIOAISA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@@H](NCc1cccc(OCC(F)F)c1)c1cccc(C#N)c1 ZINC000181930461 525536485 /nfs/dbraw/zinc/53/64/85/525536485.db2.gz WVXAGMZDFOABIQ-CYBMUJFWSA-N 0 3 316.351 4.053 20 30 DIEDHN C=CCN(Cc1cncc(Br)c1)CC1CCCCC1 ZINC000484570904 1048971281 /nfs/dbraw/zinc/97/12/81/1048971281.db2.gz SFEYKSDNJUBEJF-UHFFFAOYSA-N 0 3 323.278 4.412 20 30 DIEDHN C#C[C@H](N[C@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987984 1049620138 /nfs/dbraw/zinc/62/01/38/1049620138.db2.gz BXEVXEVRBMHXAD-WBMJQRKESA-N 0 3 306.247 4.292 20 30 DIEDHN C=CCC[C@H](NC[C@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816122 1035681834 /nfs/dbraw/zinc/68/18/34/1035681834.db2.gz HWLKUKCXGBBNBJ-HOTGVXAUSA-N 0 3 305.805 4.264 20 30 DIEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@H]1c1ccccc1 ZINC000610216064 1035750024 /nfs/dbraw/zinc/75/00/24/1035750024.db2.gz HSNPSYBRRSJMBE-KXBFYZLASA-N 0 3 308.400 4.323 20 30 DIEDHN CCc1nc2c(s1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154332962 1035870856 /nfs/dbraw/zinc/87/08/56/1035870856.db2.gz FHOXWCJDJVIPPE-IUODEOHRSA-N 0 3 311.454 4.305 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1N(C)C ZINC000154341078 1035876018 /nfs/dbraw/zinc/87/60/18/1035876018.db2.gz FFRGMVKUURTPMI-UONOGXRCSA-N 0 3 311.404 4.175 20 30 DIEDHN COc1ccc(CN(C)Cc2ccccc2)cc1OCCCC#N ZINC000154466739 1035901988 /nfs/dbraw/zinc/90/19/88/1035901988.db2.gz RVFALRVRJANYHN-UHFFFAOYSA-N 0 3 324.424 4.010 20 30 DIEDHN CCO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549531 1036962358 /nfs/dbraw/zinc/96/23/58/1036962358.db2.gz FGORLGDBLNJCBD-AUUYWEPGSA-N 0 3 312.388 4.126 20 30 DIEDHN CC[C@H](CCc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000581048701 1037419017 /nfs/dbraw/zinc/41/90/17/1037419017.db2.gz UNPYAOUMWQTXDG-OAHLLOKOSA-N 0 3 321.262 4.054 20 30 DIEDHN CC[C@@H](CCc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000581048700 1037419561 /nfs/dbraw/zinc/41/95/61/1037419561.db2.gz UNPYAOUMWQTXDG-HNNXBMFYSA-N 0 3 321.262 4.054 20 30 DIEDHN N#Cc1ccc(CN(CCCF)Cc2cccc(F)c2)cc1 ZINC000177912283 1037429382 /nfs/dbraw/zinc/42/93/82/1037429382.db2.gz NGRJSBNWDKXNTE-UHFFFAOYSA-N 0 3 300.352 4.059 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000160807891 1037468544 /nfs/dbraw/zinc/46/85/44/1037468544.db2.gz DHOYEMWRAHGHEP-CQSZACIVSA-N 0 3 314.816 4.263 20 30 DIEDHN C[C@@H](NCc1nc(C#N)cs1)C1(c2ccccc2)CCCC1 ZINC000581339694 1037541085 /nfs/dbraw/zinc/54/10/85/1037541085.db2.gz JZHDTCGVMDYRBW-CQSZACIVSA-N 0 3 311.454 4.005 20 30 DIEDHN C#Cc1ccc(CN2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001204563448 1037735670 /nfs/dbraw/zinc/73/56/70/1037735670.db2.gz CLMJQTATJZUISW-UHFFFAOYSA-N 0 3 324.855 4.398 20 30 DIEDHN Cc1ccc2cc(CNC3(c4cccc(C#N)c4)CC3)ccc2n1 ZINC000341210899 1037747329 /nfs/dbraw/zinc/74/73/29/1037747329.db2.gz HHCPVVGYOHEDJE-UHFFFAOYSA-N 0 3 313.404 4.194 20 30 DIEDHN CN(Cc1ccccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133013 1037819791 /nfs/dbraw/zinc/81/97/91/1037819791.db2.gz IKRMKJICMVCTDP-LEWJYISDSA-N 0 3 320.436 4.158 20 30 DIEDHN COc1cc(C)c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176197 1038035805 /nfs/dbraw/zinc/03/58/05/1038035805.db2.gz HZSVEMCWLJFLIT-LSDHHAIUSA-N 0 3 324.424 4.296 20 30 DIEDHN CCc1ccc(-c2noc([C@H](C)NC3CCC(C#N)CC3)n2)cc1 ZINC000602649807 1038056328 /nfs/dbraw/zinc/05/63/28/1038056328.db2.gz ZKOOZVFVKFYMEQ-KTAKPFMOSA-N 0 3 324.428 4.032 20 30 DIEDHN Cn1c(CNC(C)(C)c2cccc(C#N)c2)cc2ccccc21 ZINC000602710875 1038074662 /nfs/dbraw/zinc/07/46/62/1038074662.db2.gz ZEWYACMGELMDBK-UHFFFAOYSA-N 0 3 303.409 4.075 20 30 DIEDHN C[C@H](CCC#N)CN1CCc2nc(-c3ccccc3)sc2C1 ZINC000602706095 1038075571 /nfs/dbraw/zinc/07/55/71/1038075571.db2.gz BZXJLAVAZUFWMT-CQSZACIVSA-N 0 3 311.454 4.108 20 30 DIEDHN N#CCC1(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000602800172 1038090265 /nfs/dbraw/zinc/09/02/65/1038090265.db2.gz WFQLYIRDXGFXBL-UHFFFAOYSA-N 0 3 317.436 4.407 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccc(F)cn2)CC1 ZINC000602903464 1038110115 /nfs/dbraw/zinc/11/01/15/1038110115.db2.gz IEDMDOGJFXNZTM-AWEZNQCLSA-N 0 3 309.388 4.033 20 30 DIEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000598613606 1038132746 /nfs/dbraw/zinc/13/27/46/1038132746.db2.gz KNYMHOJJURSHNG-IRXDYDNUSA-N 0 3 320.864 4.168 20 30 DIEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000598613604 1038132935 /nfs/dbraw/zinc/13/29/35/1038132935.db2.gz KNYMHOJJURSHNG-IAGOWNOFSA-N 0 3 320.864 4.168 20 30 DIEDHN CCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341709869 1038239220 /nfs/dbraw/zinc/23/92/20/1038239220.db2.gz MPOGJJMJYQFOJY-IBGZPJMESA-N 0 3 324.399 4.263 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758658 1038260935 /nfs/dbraw/zinc/26/09/35/1038260935.db2.gz AQEZDHCXDVOBFH-XOBRGWDASA-N 0 3 301.393 4.158 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760628 1038263815 /nfs/dbraw/zinc/26/38/15/1038263815.db2.gz MGZLJYDDOKAQFK-ORAYPTAESA-N 0 3 321.380 4.195 20 30 DIEDHN Cc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1C#N ZINC000599277350 1038265055 /nfs/dbraw/zinc/26/50/55/1038265055.db2.gz MPYJJDZXZPFESM-UHFFFAOYSA-N 0 3 312.457 4.180 20 30 DIEDHN CCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341763381 1038265129 /nfs/dbraw/zinc/26/51/29/1038265129.db2.gz XXOVKUKAKTYPQG-FQEVSTJZSA-N 0 3 306.409 4.124 20 30 DIEDHN Cc1cnc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)s1 ZINC000599384941 1038277452 /nfs/dbraw/zinc/27/74/52/1038277452.db2.gz DGHRINAPJGIWSN-UHFFFAOYSA-N 0 3 311.454 4.011 20 30 DIEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000603837464 1038292756 /nfs/dbraw/zinc/29/27/56/1038292756.db2.gz WKMSQDTVKMNAMB-UHFFFAOYSA-N 0 3 320.845 4.174 20 30 DIEDHN COc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873947 1038304871 /nfs/dbraw/zinc/30/48/71/1038304871.db2.gz JGLVIOFBBAGXCY-DJJJIMSYSA-N 0 3 324.399 4.434 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1cccc(C#N)c1 ZINC000610830542 1038371674 /nfs/dbraw/zinc/37/16/74/1038371674.db2.gz ZWCWUCDMLUXYPX-KBPBESRZSA-N 0 3 311.404 4.175 20 30 DIEDHN Cc1c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829690 1038371760 /nfs/dbraw/zinc/37/17/60/1038371760.db2.gz DYPFOTFFLNEIDD-KBPBESRZSA-N 0 3 309.369 4.187 20 30 DIEDHN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829796 1038373425 /nfs/dbraw/zinc/37/34/25/1038373425.db2.gz LKXALVCKBAOKCO-WFASDCNBSA-N 0 3 311.454 4.305 20 30 DIEDHN CCN(CCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000061783121 1038451218 /nfs/dbraw/zinc/45/12/18/1038451218.db2.gz LZWNOQBTSMWVPM-UHFFFAOYSA-N 0 3 320.845 4.174 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NC2CC(F)(F)C2)cc1 ZINC000277240451 1038462055 /nfs/dbraw/zinc/46/20/55/1038462055.db2.gz ZRXHADJOXSPRIE-LLVKDONJSA-N 0 3 301.764 4.266 20 30 DIEDHN N#CCOc1ccc(CNCc2ccc3ccccc3c2)cc1 ZINC000171769824 1038485630 /nfs/dbraw/zinc/48/56/30/1038485630.db2.gz ZCQBBOTXKSQMSL-UHFFFAOYSA-N 0 3 302.377 4.032 20 30 DIEDHN C=CCOc1ccccc1CNCCOC1CCCCCC1 ZINC000605322773 1038507251 /nfs/dbraw/zinc/50/72/51/1038507251.db2.gz DGDJVVOLIFYXDA-UHFFFAOYSA-N 0 3 303.446 4.080 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000172116731 1038549141 /nfs/dbraw/zinc/54/91/41/1038549141.db2.gz PADYJGMZOLGVBW-HXUWFJFHSA-N 0 3 309.384 4.005 20 30 DIEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000172210057 1038563959 /nfs/dbraw/zinc/56/39/59/1038563959.db2.gz HYYLFVBEEABOAF-DOMZBBRYSA-N 0 3 322.339 4.337 20 30 DIEDHN C=CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000606896286 1038636429 /nfs/dbraw/zinc/63/64/29/1038636429.db2.gz CTIFHDOCIDEIKG-NRFANRHFSA-N 0 3 323.436 4.227 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000097357097 1038758250 /nfs/dbraw/zinc/75/82/50/1038758250.db2.gz WQWDDRQATLTSHJ-UHFFFAOYSA-N 0 3 300.352 4.249 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC1CCCC1 ZINC000173901836 1038804904 /nfs/dbraw/zinc/80/49/04/1038804904.db2.gz ZBGDUYYPDDCGNW-HNNXBMFYSA-N 0 3 309.413 4.110 20 30 DIEDHN C=CCC1(NCc2csc(-c3cccs3)n2)CCOCC1 ZINC000657633410 1038930719 /nfs/dbraw/zinc/93/07/19/1038930719.db2.gz OINKQWJGAGVSDY-UHFFFAOYSA-N 0 3 320.483 4.087 20 30 DIEDHN C=CCC1(NCc2csc(-c3ccccc3)n2)CCOCC1 ZINC000657633174 1038931728 /nfs/dbraw/zinc/93/17/28/1038931728.db2.gz ROLOJJQSSOHIAE-UHFFFAOYSA-N 0 3 314.454 4.025 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155115 1039225679 /nfs/dbraw/zinc/22/56/79/1039225679.db2.gz ANGRYFHKXJONGY-UGSOOPFHSA-N 0 3 309.369 4.268 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251735 1039324781 /nfs/dbraw/zinc/32/47/81/1039324781.db2.gz MQBJMKSHDKCPTO-BFUOFWGJSA-N 0 3 321.380 4.195 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@@H](COCC)C2)cc1Cl ZINC000539826452 1039354709 /nfs/dbraw/zinc/35/47/09/1039354709.db2.gz SAIRFEDDRSLWKF-MRXNPFEDSA-N 0 3 323.864 4.153 20 30 DIEDHN C[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000462848648 1039402151 /nfs/dbraw/zinc/40/21/51/1039402151.db2.gz UVWWRWHIHCBZSN-LLVKDONJSA-N 0 3 304.315 4.486 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)c2cccnc12 ZINC000052580708 1039457458 /nfs/dbraw/zinc/45/74/58/1039457458.db2.gz XHTZTRVSFYWCEY-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN CC(C)Oc1ccccc1[C@@H](C)NCCOc1ccccc1C#N ZINC000540324266 1039478674 /nfs/dbraw/zinc/47/86/74/1039478674.db2.gz JWNBGFFGDHJYQZ-MRXNPFEDSA-N 0 3 324.424 4.075 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000540341726 1039481412 /nfs/dbraw/zinc/48/14/12/1039481412.db2.gz SETROJHKAUREPL-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000540459010 1039496278 /nfs/dbraw/zinc/49/62/78/1039496278.db2.gz ULASLLFOHHPGNF-LJQANCHMSA-N 0 3 308.425 4.231 20 30 DIEDHN C=CCC[C@H](NCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000540460318 1039496659 /nfs/dbraw/zinc/49/66/59/1039496659.db2.gz IPZRSZMILMNYCC-PXNSSMCTSA-N 0 3 322.452 4.161 20 30 DIEDHN Cc1nc(-c2ccc(CNCc3ccc(C#N)cc3)cc2)cs1 ZINC000052724060 1039534462 /nfs/dbraw/zinc/53/44/62/1039534462.db2.gz JIHNAWNYAKSRQV-UHFFFAOYSA-N 0 3 319.433 4.280 20 30 DIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cccc(C#N)c2)c1 ZINC000541316846 1039663029 /nfs/dbraw/zinc/66/30/29/1039663029.db2.gz JUDLJOKVBWFHNS-QRWLVFNGSA-N 0 3 306.409 4.150 20 30 DIEDHN Cn1cc(CN[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309716 1039751387 /nfs/dbraw/zinc/75/13/87/1039751387.db2.gz LZQSNFJUQWHKJE-DNVCBOLYSA-N 0 3 319.452 4.286 20 30 DIEDHN C=CCN(Cc1cc(Cl)cc(Br)c1)C1CC1 ZINC001168439780 1039789689 /nfs/dbraw/zinc/78/96/89/1039789689.db2.gz YRXYFJZJPXZSNV-UHFFFAOYSA-N 0 3 300.627 4.253 20 30 DIEDHN CC(C)Oc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271899942 1039874966 /nfs/dbraw/zinc/87/49/66/1039874966.db2.gz ABBZVDAPFONARI-CQSZACIVSA-N 0 3 312.388 4.335 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000248818484 1039945381 /nfs/dbraw/zinc/94/53/81/1039945381.db2.gz DZACMPIQSXCRNZ-RWMBFGLXSA-N 0 3 303.381 4.127 20 30 DIEDHN Cc1cc(CNCc2cccc(OCC(C)C)c2)ccc1C#N ZINC000443972777 1039988900 /nfs/dbraw/zinc/98/89/00/1039988900.db2.gz NNHBVZXMCWSBSH-UHFFFAOYSA-N 0 3 308.425 4.191 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C(F)(F)F)cs1 ZINC000657889014 1040034308 /nfs/dbraw/zinc/03/43/08/1040034308.db2.gz OZOMJBNBNDEHQH-WDEREUQCSA-N 0 3 304.381 4.386 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)s1 ZINC000657928884 1040186341 /nfs/dbraw/zinc/18/63/41/1040186341.db2.gz WBVZFEWLESRNTR-HOCLYGCPSA-N 0 3 313.470 4.430 20 30 DIEDHN C=CCOCCCN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000658207207 1040355184 /nfs/dbraw/zinc/35/51/84/1040355184.db2.gz SOXFWTPPKNUCPT-CYBMUJFWSA-N 0 3 320.433 4.193 20 30 DIEDHN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)c1ccccn1 ZINC000892483848 1040556138 /nfs/dbraw/zinc/55/61/38/1040556138.db2.gz WATSYZAJQNYHEH-GOSISDBHSA-N 0 3 304.393 4.158 20 30 DIEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)nc1 ZINC000685782553 1040630671 /nfs/dbraw/zinc/63/06/71/1040630671.db2.gz KZFNCKHZOVTUPY-INIZCTEOSA-N 0 3 315.376 4.243 20 30 DIEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000612585260 1040647338 /nfs/dbraw/zinc/64/73/38/1040647338.db2.gz UAWSUOPIJWLAGU-LSDHHAIUSA-N 0 3 310.363 4.481 20 30 DIEDHN N#Cc1c(F)cc(CN2CC[C@H](C3CCCCC3)C2)cc1F ZINC001140754488 1040660191 /nfs/dbraw/zinc/66/01/91/1040660191.db2.gz BDBFGSJRPDEUIE-HNNXBMFYSA-N 0 3 304.384 4.239 20 30 DIEDHN CC[C@@H](CCc1ccc(Br)cc1)NCC(C)(C)C#N ZINC000613145712 1040802062 /nfs/dbraw/zinc/80/20/62/1040802062.db2.gz BQIWJALHXYHJPT-HNNXBMFYSA-N 0 3 323.278 4.300 20 30 DIEDHN C[C@H](NCc1nc(C#N)cs1)C1(c2ccccc2)CCCC1 ZINC000581339693 1040851959 /nfs/dbraw/zinc/85/19/59/1040851959.db2.gz JZHDTCGVMDYRBW-AWEZNQCLSA-N 0 3 311.454 4.005 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OCCC)c(OC)c2)cc1 ZINC000809605727 1041192851 /nfs/dbraw/zinc/19/28/51/1041192851.db2.gz GZIBVBAGTARCLO-MRXNPFEDSA-N 0 3 323.436 4.316 20 30 DIEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000180739317 1041202638 /nfs/dbraw/zinc/20/26/38/1041202638.db2.gz SQMOZPYHQVBUBK-QAPCUYQASA-N 0 3 324.424 4.041 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC3CCCC3)cc2)cc1 ZINC000809633244 1041208111 /nfs/dbraw/zinc/20/81/11/1041208111.db2.gz JCVUCEXDKFSOCK-UHFFFAOYSA-N 0 3 305.421 4.279 20 30 DIEDHN C#CCCOc1ccc(CN(C)[C@H](CC)c2ccncc2)cc1 ZINC000809765097 1041251429 /nfs/dbraw/zinc/25/14/29/1041251429.db2.gz KXHDYXYSEOOOED-HXUWFJFHSA-N 0 3 308.425 4.067 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1C ZINC000810250399 1041358401 /nfs/dbraw/zinc/35/84/01/1041358401.db2.gz HMIQHZCCWVYWLI-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN CC(C)Oc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000728711391 1041473677 /nfs/dbraw/zinc/47/36/77/1041473677.db2.gz BNYVPHVMPCPHTC-INIZCTEOSA-N 0 3 324.424 4.054 20 30 DIEDHN N#CC(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccn1 ZINC000041493368 1041537604 /nfs/dbraw/zinc/53/76/04/1041537604.db2.gz SBKXVLNTZRNUJJ-CQSZACIVSA-N 0 3 322.364 4.439 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)cc1C#N ZINC001170639549 1041547251 /nfs/dbraw/zinc/54/72/51/1041547251.db2.gz QGKNKXSICKJGJY-STXHMFSFSA-N 0 3 308.400 4.464 20 30 DIEDHN CCc1ccc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170684216 1041640154 /nfs/dbraw/zinc/64/01/54/1041640154.db2.gz VXWIBKJXCUVVEP-HXUWFJFHSA-N 0 3 307.412 4.229 20 30 DIEDHN C#C[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792888 1041650972 /nfs/dbraw/zinc/65/09/72/1041650972.db2.gz JXEJFMGWZUHXHE-AHRSYUTCSA-N 0 3 308.400 4.211 20 30 DIEDHN C#CCOc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000236694256 1041662949 /nfs/dbraw/zinc/66/29/49/1041662949.db2.gz BEERQKQLVBZBBF-SFHVURJKSA-N 0 3 309.434 4.025 20 30 DIEDHN COc1ccsc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362231 1041664477 /nfs/dbraw/zinc/66/44/77/1041664477.db2.gz JLKGUQCBHAOWLM-BLLLJJGKSA-N 0 3 312.438 4.357 20 30 DIEDHN CCC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375920 1041667992 /nfs/dbraw/zinc/66/79/92/1041667992.db2.gz ZYMVILMFNCQNSO-UXHICEINSA-N 0 3 305.425 4.462 20 30 DIEDHN C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC1(C#N)CCC1 ZINC000418140622 1041731649 /nfs/dbraw/zinc/73/16/49/1041731649.db2.gz JUEVGINZAIHGTC-ZDUSSCGKSA-N 0 3 310.363 4.310 20 30 DIEDHN Cc1ccccc1[C@H](NCc1ccc(C#N)cn1)C1CCCC1 ZINC000813868836 1041738434 /nfs/dbraw/zinc/73/84/34/1041738434.db2.gz MIXVVQZQWVBSOP-HXUWFJFHSA-N 0 3 305.425 4.283 20 30 DIEDHN C#CCCOc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 ZINC000236696797 1041777768 /nfs/dbraw/zinc/77/77/68/1041777768.db2.gz VFAGUILCUYJQTD-UHFFFAOYSA-N 0 3 311.400 4.253 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2cc(C)oc2C)o1 ZINC000661118672 1041888243 /nfs/dbraw/zinc/88/82/43/1041888243.db2.gz JKBFKDOXYZOVDY-GOEBONIOSA-N 0 3 315.417 4.171 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc([C@@H](C)OCC)n1 ZINC000661118154 1041889279 /nfs/dbraw/zinc/88/92/79/1041889279.db2.gz XBLUYSIXUDKYTA-IIAWOOMASA-N 0 3 308.491 4.465 20 30 DIEDHN C=C(C)CN1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001170784421 1041949801 /nfs/dbraw/zinc/94/98/01/1041949801.db2.gz UTLLYCLYZVOBPJ-OKILXGFUSA-N 0 3 312.379 4.181 20 30 DIEDHN CCSc1cc(CN[C@@H](CC)c2ccc(C#N)cc2)ccn1 ZINC000278846260 1041952036 /nfs/dbraw/zinc/95/20/36/1041952036.db2.gz VFVHPYHUXGSMFJ-KRWDZBQOSA-N 0 3 311.454 4.306 20 30 DIEDHN C#CC[C@@H](N[C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599560 1041970602 /nfs/dbraw/zinc/97/06/02/1041970602.db2.gz VZYZRRMGLBEEKX-VQTJNVASSA-N 0 3 321.420 4.279 20 30 DIEDHN N#CCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815622314 1041976515 /nfs/dbraw/zinc/97/65/15/1041976515.db2.gz RIFYENQNAIUJMJ-LJQANCHMSA-N 0 3 320.436 4.350 20 30 DIEDHN C=CCC1(NCc2nnc(-c3cccc(Cl)c3)o2)CCCC1 ZINC000661847582 1042005396 /nfs/dbraw/zinc/00/53/96/1042005396.db2.gz ALKHTJZIVGZFCW-UHFFFAOYSA-N 0 3 317.820 4.369 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccsc2)oc1C ZINC000662084747 1042059482 /nfs/dbraw/zinc/05/94/82/1042059482.db2.gz VXZSPKZBOFFYFU-GASCZTMLSA-N 0 3 300.427 4.395 20 30 DIEDHN C=CCCCCCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000128739807 1042180810 /nfs/dbraw/zinc/18/08/10/1042180810.db2.gz KXYRXJIEUNVCHO-UHFFFAOYSA-N 0 3 314.473 4.101 20 30 DIEDHN C=C(C)COCCN[C@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820823732 1042229025 /nfs/dbraw/zinc/22/90/25/1042229025.db2.gz OSZWQRGTFUOHDH-GOSISDBHSA-N 0 3 319.832 4.399 20 30 DIEDHN CCOCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822525436 1042288955 /nfs/dbraw/zinc/28/89/55/1042288955.db2.gz GRPQZSZUHPSJOJ-MRXNPFEDSA-N 0 3 324.424 4.124 20 30 DIEDHN CCN(CC)[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccco1 ZINC000067005697 1042294464 /nfs/dbraw/zinc/29/44/64/1042294464.db2.gz OAGJCFSMDHRGSF-SKCQWOFPSA-N 0 3 320.820 4.141 20 30 DIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000187422365 1042353548 /nfs/dbraw/zinc/35/35/48/1042353548.db2.gz ZEPZSQUCEKTOFL-MNOVXSKESA-N 0 3 315.230 4.379 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000614160081 1042417974 /nfs/dbraw/zinc/41/79/74/1042417974.db2.gz BVJMVMRAFYJULL-HNNXBMFYSA-N 0 3 310.363 4.262 20 30 DIEDHN COCCN(Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160386 1042417999 /nfs/dbraw/zinc/41/79/99/1042417999.db2.gz XJGGLFXOWRMTCR-UHFFFAOYSA-N 0 3 322.452 4.136 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685038 1042420569 /nfs/dbraw/zinc/42/05/69/1042420569.db2.gz NLHXCKFUGSCNHI-LSDHHAIUSA-N 0 3 324.380 4.019 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000614171353 1042421769 /nfs/dbraw/zinc/42/17/69/1042421769.db2.gz LETNWMNWNYACCC-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN COc1cccc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614180162 1042422744 /nfs/dbraw/zinc/42/27/44/1042422744.db2.gz ZKTGKIOHSRYQJH-HNNXBMFYSA-N 0 3 308.425 4.347 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc(C#N)cc1 ZINC000614179925 1042423561 /nfs/dbraw/zinc/42/35/61/1042423561.db2.gz RYKBWSIHQXOJTF-OAHLLOKOSA-N 0 3 303.409 4.210 20 30 DIEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC1(C#N)CCCCC1 ZINC000411542237 1042456341 /nfs/dbraw/zinc/45/63/41/1042456341.db2.gz IRZRNVKCENRZEA-OAHLLOKOSA-N 0 3 316.493 4.461 20 30 DIEDHN CCC#C[C@@H](C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001167921065 1042473500 /nfs/dbraw/zinc/47/35/00/1042473500.db2.gz PMENXNIVLBHABF-CYBMUJFWSA-N 0 3 316.832 4.463 20 30 DIEDHN Cc1cc(C#N)ccc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000614396152 1042490009 /nfs/dbraw/zinc/49/00/09/1042490009.db2.gz ZOFCARXZHDSHIQ-CYBMUJFWSA-N 0 3 300.352 4.338 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC(OC2CCCCC2)CC1 ZINC000614396865 1042490074 /nfs/dbraw/zinc/49/00/74/1042490074.db2.gz UYVKOYICCPRASX-UHFFFAOYSA-N 0 3 312.457 4.180 20 30 DIEDHN C=C1CCN(Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000513478651 1042545642 /nfs/dbraw/zinc/54/56/42/1042545642.db2.gz FNTZKUDQWGWXBJ-UHFFFAOYSA-N 0 3 322.452 4.429 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000280597262 1042575918 /nfs/dbraw/zinc/57/59/18/1042575918.db2.gz IYXANSBNKIWVMB-MQMHXKEQSA-N 0 3 320.314 4.206 20 30 DIEDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803190 1042599944 /nfs/dbraw/zinc/59/99/44/1042599944.db2.gz HJJBUWNKPSFBCE-KUHUBIRLSA-N 0 3 306.409 4.213 20 30 DIEDHN C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428214 1042713259 /nfs/dbraw/zinc/71/32/59/1042713259.db2.gz GFSHXIGRIJYOOO-SCLBCKFNSA-N 0 3 321.424 4.093 20 30 DIEDHN CCCCCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001269833041 1042776153 /nfs/dbraw/zinc/77/61/53/1042776153.db2.gz SGQNSECKDRTVJP-UHFFFAOYSA-N 0 3 308.510 4.071 20 30 DIEDHN Cc1ccccc1C1CC(N(Cc2ccc(C#N)cn2)C2CC2)C1 ZINC000515178484 1042812332 /nfs/dbraw/zinc/81/23/32/1042812332.db2.gz RLOWEPJTWGTMTK-UHFFFAOYSA-N 0 3 317.436 4.172 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000426553118 1042935731 /nfs/dbraw/zinc/93/57/31/1042935731.db2.gz NZDCOLXDARSUFB-LJQANCHMSA-N 0 3 308.425 4.201 20 30 DIEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000507152689 1042982057 /nfs/dbraw/zinc/98/20/57/1042982057.db2.gz YFLMALLDLFENSH-UHFFFAOYSA-N 0 3 323.396 4.186 20 30 DIEDHN COc1cc(C)c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918904 1043055645 /nfs/dbraw/zinc/05/56/45/1043055645.db2.gz JPOGEWISMHTTBL-CABCVRRESA-N 0 3 324.424 4.296 20 30 DIEDHN COc1ccc(C2(NCc3ccc(C#N)s3)CCCC2)cc1 ZINC000176970770 1043102160 /nfs/dbraw/zinc/10/21/60/1043102160.db2.gz AFZIHZSNXXEOQY-UHFFFAOYSA-N 0 3 312.438 4.187 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177291 1043123643 /nfs/dbraw/zinc/12/36/43/1043123643.db2.gz MRASMZHKPSNVKF-ZIAGYGMSSA-N 0 3 309.369 4.187 20 30 DIEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cc2cnccc2o1 ZINC000865855132 1043141207 /nfs/dbraw/zinc/14/12/07/1043141207.db2.gz VVGSPDLMLOITAE-AWEZNQCLSA-N 0 3 317.392 4.234 20 30 DIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cc2cnccc2o1 ZINC000865853445 1043142033 /nfs/dbraw/zinc/14/20/33/1043142033.db2.gz HTQFIZMVHTVCLV-AWEZNQCLSA-N 0 3 319.408 4.480 20 30 DIEDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800593 1043145489 /nfs/dbraw/zinc/14/54/89/1043145489.db2.gz AELFXOFUVNFIOC-CABCVRRESA-N 0 3 312.388 4.448 20 30 DIEDHN CCCC[C@H]1CCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698617 1043188781 /nfs/dbraw/zinc/18/87/81/1043188781.db2.gz RXMYFLXPHRRMPT-DOTOQJQBSA-N 0 3 324.428 4.057 20 30 DIEDHN C[C@H](NCCSCCC(F)(F)F)c1ccc(C#N)cc1F ZINC000866542939 1043219975 /nfs/dbraw/zinc/21/99/75/1043219975.db2.gz JEKUHACEJGQVGP-JTQLQIEISA-N 0 3 320.355 4.034 20 30 DIEDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000866539239 1043219103 /nfs/dbraw/zinc/21/91/03/1043219103.db2.gz ABWWPVIYTZCGOW-KRWDZBQOSA-N 0 3 309.369 4.016 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881702 1043339924 /nfs/dbraw/zinc/33/99/24/1043339924.db2.gz AZIZIZSACHCMBZ-KSSFIOAISA-N 0 3 324.424 4.377 20 30 DIEDHN CC[C@@H](C)C(=O)Nc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000925316514 1043410114 /nfs/dbraw/zinc/41/01/14/1043410114.db2.gz HEGIBAZJTCBKMF-CABCVRRESA-N 0 3 315.461 4.089 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783781 1043418972 /nfs/dbraw/zinc/41/89/72/1043418972.db2.gz NZDAXOZTOXUCRB-HHXXYDBFSA-N 0 3 324.399 4.228 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573600 1043439717 /nfs/dbraw/zinc/43/97/17/1043439717.db2.gz WAHVBVAASFOMSV-HOTGVXAUSA-N 0 3 310.466 4.437 20 30 DIEDHN C#CC[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccccc1 ZINC000274447566 1043456774 /nfs/dbraw/zinc/45/67/74/1043456774.db2.gz RSZWSUFLQRAFMP-LJQANCHMSA-N 0 3 321.420 4.186 20 30 DIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925925954 1043495361 /nfs/dbraw/zinc/49/53/61/1043495361.db2.gz KMTZAZCMVXYOAL-OAHLLOKOSA-N 0 3 320.436 4.126 20 30 DIEDHN N#Cc1ccc(F)c(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000522069973 1043529347 /nfs/dbraw/zinc/52/93/47/1043529347.db2.gz XRYRSMFOBXWXGC-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000777587544 1043536136 /nfs/dbraw/zinc/53/61/36/1043536136.db2.gz UOVKAHOTSSAZLK-KKSFZXQISA-N 0 3 320.436 4.065 20 30 DIEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000522131524 1043546139 /nfs/dbraw/zinc/54/61/39/1043546139.db2.gz IPVKQWDZOUTNPT-HXUWFJFHSA-N 0 3 316.489 4.049 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926343611 1043566309 /nfs/dbraw/zinc/56/63/09/1043566309.db2.gz PYIMXGOPQINGAF-JBACZVJFSA-N 0 3 322.452 4.050 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000926343613 1043567863 /nfs/dbraw/zinc/56/78/63/1043567863.db2.gz PYIMXGOPQINGAF-TYPHKJRUSA-N 0 3 322.452 4.050 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCOc3ccccc31)CC2 ZINC000353388984 1043605027 /nfs/dbraw/zinc/60/50/27/1043605027.db2.gz QUXHDUISPILJIL-MOPGFXCFSA-N 0 3 304.393 4.049 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926603013 1043606252 /nfs/dbraw/zinc/60/62/52/1043606252.db2.gz QRSZPMQQFASCAO-HXPMCKFVSA-N 0 3 310.372 4.131 20 30 DIEDHN COc1cc(CN[C@H](CCCC#N)c2ccccc2)ccc1C#N ZINC000353912802 1043657368 /nfs/dbraw/zinc/65/73/68/1043657368.db2.gz GNFJKBSGTFKRSL-LJQANCHMSA-N 0 3 319.408 4.092 20 30 DIEDHN COc1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1OC ZINC000353913239 1043657625 /nfs/dbraw/zinc/65/76/25/1043657625.db2.gz HYJAUPAZUUOSRB-SFHVURJKSA-N 0 3 324.424 4.229 20 30 DIEDHN CC(C)(C)c1ncc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353918436 1043660475 /nfs/dbraw/zinc/66/04/75/1043660475.db2.gz YEWVTAFZIMEKAC-SFHVURJKSA-N 0 3 322.456 4.299 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000927060690 1043676235 /nfs/dbraw/zinc/67/62/35/1043676235.db2.gz DQECMKUYMQXJNQ-VQTJNVASSA-N 0 3 317.436 4.388 20 30 DIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000876545344 1043693072 /nfs/dbraw/zinc/69/30/72/1043693072.db2.gz FTHJVVGMERKIDC-HNNXBMFYSA-N 0 3 308.853 4.342 20 30 DIEDHN C=CCN(Cc1cc2c(cc[nH]c2=O)o1)CC1CCCCC1 ZINC000876732326 1043706247 /nfs/dbraw/zinc/70/62/47/1043706247.db2.gz SWGQYGHKCDCMJV-UHFFFAOYSA-N 0 3 300.402 4.102 20 30 DIEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)CC1 ZINC001141818800 1043707864 /nfs/dbraw/zinc/70/78/64/1043707864.db2.gz WEUXCJWFVIZNGM-YGUOUDRMSA-N 0 3 321.262 4.331 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cc(Br)no1 ZINC000718880914 1043757555 /nfs/dbraw/zinc/75/75/55/1043757555.db2.gz FKYFCHUTQSYSTA-NSHDSACASA-N 0 3 303.244 4.276 20 30 DIEDHN N#CC[C@@H]1CCCN(Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877622430 1043781331 /nfs/dbraw/zinc/78/13/31/1043781331.db2.gz NIFLMTNBHYJVCU-NSHDSACASA-N 0 3 305.834 4.075 20 30 DIEDHN C[C@H](CCC#N)CNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877668729 1043788445 /nfs/dbraw/zinc/78/84/45/1043788445.db2.gz MOROAVJDJZMRAA-LLVKDONJSA-N 0 3 305.809 4.246 20 30 DIEDHN C#CCCCCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000877990079 1043835412 /nfs/dbraw/zinc/83/54/12/1043835412.db2.gz NGILNWPNWWSPSF-VXGBXAGGSA-N 0 3 315.301 4.243 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929757574 1043837915 /nfs/dbraw/zinc/83/79/15/1043837915.db2.gz TVMNJVBKGILUCD-WXDAQCLHSA-N 0 3 307.441 4.088 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929757572 1043838749 /nfs/dbraw/zinc/83/87/49/1043838749.db2.gz TVMNJVBKGILUCD-OTGCGEFBSA-N 0 3 307.441 4.088 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCC(F)(c2ccccn2)CC1 ZINC000930373628 1043916315 /nfs/dbraw/zinc/91/63/15/1043916315.db2.gz MPPWPYICVUWGGK-UHFFFAOYSA-N 0 3 323.415 4.031 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1Cc2ccccc21 ZINC000561349737 1043934044 /nfs/dbraw/zinc/93/40/44/1043934044.db2.gz XJAAUCCTMCZGIE-HMXCVIKNSA-N 0 3 302.421 4.098 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000879671641 1043979968 /nfs/dbraw/zinc/97/99/68/1043979968.db2.gz IETWRJYITSYVGH-TZMCWYRMSA-N 0 3 314.738 4.198 20 30 DIEDHN C=CCCC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000880388188 1044038787 /nfs/dbraw/zinc/03/87/87/1044038787.db2.gz JHDOVGKDONGWDJ-HXUWFJFHSA-N 0 3 322.452 4.233 20 30 DIEDHN C=CCCC[C@@H](NCc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000931694405 1044059954 /nfs/dbraw/zinc/05/99/54/1044059954.db2.gz KIWKRCKYDFZYQR-LJQANCHMSA-N 0 3 324.424 4.055 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000932203944 1044108648 /nfs/dbraw/zinc/10/86/48/1044108648.db2.gz NFGCAFFWROYJOY-HOCLYGCPSA-N 0 3 311.454 4.030 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326793 1044108930 /nfs/dbraw/zinc/10/89/30/1044108930.db2.gz VTUOQZASPIJFON-KXBFYZLASA-N 0 3 324.424 4.399 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1cccnc1 ZINC000346984248 1044179670 /nfs/dbraw/zinc/17/96/70/1044179670.db2.gz CBIJBACWJWONPY-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@]1(C)CCOc2ccccc21 ZINC000933370752 1044195608 /nfs/dbraw/zinc/19/56/08/1044195608.db2.gz OYWBZMLWASLTOM-OAQYLSRUSA-N 0 3 320.436 4.275 20 30 DIEDHN Cn1cc(CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1C#N ZINC000359746295 1044197538 /nfs/dbraw/zinc/19/75/38/1044197538.db2.gz LXPQGJCPFKVDGN-SFHVURJKSA-N 0 3 313.420 4.303 20 30 DIEDHN COc1ccc(CN[C@@H]2CCc3ccc(C(C)C)cc32)cc1C#N ZINC000778209329 1044220942 /nfs/dbraw/zinc/22/09/42/1044220942.db2.gz NDRCTALVSJYVAT-HXUWFJFHSA-N 0 3 320.436 4.467 20 30 DIEDHN C=C(C)CN(C)Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC000778230550 1044232674 /nfs/dbraw/zinc/23/26/74/1044232674.db2.gz BYTNIDNIMBCZAT-UHFFFAOYSA-N 0 3 305.805 4.017 20 30 DIEDHN C=CCCC[C@@H](NCc1ccc(NC(C)=O)nc1)c1ccccc1 ZINC000883219641 1044237493 /nfs/dbraw/zinc/23/74/93/1044237493.db2.gz WUFRAKUWOLCHBH-LJQANCHMSA-N 0 3 323.440 4.227 20 30 DIEDHN COc1ccc([C@@H]2CCCN2CCCCC2(C#N)CCC2)nc1 ZINC000934339994 1044241137 /nfs/dbraw/zinc/24/11/37/1044241137.db2.gz KPXRKJMVENZLHX-SFHVURJKSA-N 0 3 313.445 4.091 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273499 1044266158 /nfs/dbraw/zinc/26/61/58/1044266158.db2.gz CKFAPEAZFAKZLJ-LIRRHRJNSA-N 0 3 322.408 4.147 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000934695326 1044271640 /nfs/dbraw/zinc/27/16/40/1044271640.db2.gz AQIZVOIOFUBHQY-IBGZPJMESA-N 0 3 305.425 4.124 20 30 DIEDHN Cc1cccc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000563572194 1044284680 /nfs/dbraw/zinc/28/46/80/1044284680.db2.gz BDTWZTLTUZCMPP-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN CSc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000360659344 1044296225 /nfs/dbraw/zinc/29/62/25/1044296225.db2.gz YIHWOZVSWZBJLZ-SFHVURJKSA-N 0 3 323.465 4.232 20 30 DIEDHN C[C@@H](NCc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000035256326 1044319434 /nfs/dbraw/zinc/31/94/34/1044319434.db2.gz FEPCDPMIZYNGGV-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000360994287 1044342155 /nfs/dbraw/zinc/34/21/55/1044342155.db2.gz DQZKPPDTJWSDCC-FQEVSTJZSA-N 0 3 309.409 4.124 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000565353372 1044430174 /nfs/dbraw/zinc/43/01/74/1044430174.db2.gz ZPAMXYLKRBSXQT-KMFMINBZSA-N 0 3 301.821 4.009 20 30 DIEDHN N#Cc1ccc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000565458047 1044436709 /nfs/dbraw/zinc/43/67/09/1044436709.db2.gz LWZSUGACCQSOHY-JNSUZQQQSA-N 0 3 317.436 4.411 20 30 DIEDHN N#Cc1ccc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000565458050 1044437621 /nfs/dbraw/zinc/43/76/21/1044437621.db2.gz LWZSUGACCQSOHY-ZOXUKVPXSA-N 0 3 317.436 4.411 20 30 DIEDHN CN(C)[C@@H](CNc1cc(Cl)ccc1C#N)c1ccc(F)cc1 ZINC000609894756 1044467353 /nfs/dbraw/zinc/46/73/53/1044467353.db2.gz PKRNDZCWMGERES-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN N#CC(C(=O)CCc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000041481588 1044494175 /nfs/dbraw/zinc/49/41/75/1044494175.db2.gz ABRRBUUAQORSIM-CYBMUJFWSA-N 0 3 319.191 4.197 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](c2ncccc2C)C(C)C)cc1 ZINC000115622705 1044560439 /nfs/dbraw/zinc/56/04/39/1044560439.db2.gz DNFSCXGLMAWHKP-HXUWFJFHSA-N 0 3 322.452 4.279 20 30 DIEDHN C=CCC[C@H](N[C@@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553124 1044658704 /nfs/dbraw/zinc/65/87/04/1044658704.db2.gz DSSNISPHAKXNKQ-KXBFYZLASA-N 0 3 324.424 4.226 20 30 DIEDHN CSc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1C#N ZINC000886689613 1044680742 /nfs/dbraw/zinc/68/07/42/1044680742.db2.gz DMJYISNWWVOXOO-SFHVURJKSA-N 0 3 324.449 4.153 20 30 DIEDHN CSc1ccc(CN[C@H]2CCc3c2cccc3F)cc1C#N ZINC000886687973 1044681435 /nfs/dbraw/zinc/68/14/35/1044681435.db2.gz IMQWLPAODJFIAG-KRWDZBQOSA-N 0 3 312.413 4.196 20 30 DIEDHN CSc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000886688011 1044681550 /nfs/dbraw/zinc/68/15/50/1044681550.db2.gz JEACUKCXBLORHE-ZDUSSCGKSA-N 0 3 324.449 4.161 20 30 DIEDHN CSc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1C#N ZINC000886688687 1044681749 /nfs/dbraw/zinc/68/17/49/1044681749.db2.gz XUBJGVGWQJVVFI-KRWDZBQOSA-N 0 3 312.413 4.196 20 30 DIEDHN CC[C@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740774 1044701149 /nfs/dbraw/zinc/70/11/49/1044701149.db2.gz XULLJDODTPCMFA-OALUTQOASA-N 0 3 322.408 4.131 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@H]1CCc2c1cccc2F ZINC000886921887 1044720576 /nfs/dbraw/zinc/72/05/76/1044720576.db2.gz IGUJBSZMKHNDMN-IBGZPJMESA-N 0 3 308.400 4.404 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000034992589 1044796449 /nfs/dbraw/zinc/79/64/49/1044796449.db2.gz NBXIOOZNEGHAFA-ZDUSSCGKSA-N 0 3 300.789 4.093 20 30 DIEDHN N#CC(C(=O)CCc1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000046706326 1044975776 /nfs/dbraw/zinc/97/57/76/1044975776.db2.gz DDROJPZEAUFMEY-ZDUSSCGKSA-N 0 3 323.783 4.025 20 30 DIEDHN CC(C)CC[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135316287 1044978493 /nfs/dbraw/zinc/97/84/93/1044978493.db2.gz ZFMORTSNPOUIDL-KRWDZBQOSA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@H](CCC#N)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315939 1044995632 /nfs/dbraw/zinc/99/56/32/1044995632.db2.gz KCARMFVJWMLJGB-YPMHNXCESA-N 0 3 313.228 4.139 20 30 DIEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1C ZINC000446752634 1045031583 /nfs/dbraw/zinc/03/15/83/1045031583.db2.gz IIKLKHBGPRPRGQ-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN C=CCCc1ccccc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412323626 1045076673 /nfs/dbraw/zinc/07/66/73/1045076673.db2.gz XFDQYNHFJBDGSC-OWCLPIDISA-N 0 3 300.446 4.005 20 30 DIEDHN C=CCC[C@H](NC[C@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564707 1045136837 /nfs/dbraw/zinc/13/68/37/1045136837.db2.gz SJTHCBDRIRRPCY-YJBOKZPZSA-N 0 3 317.454 4.426 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530753 1045137028 /nfs/dbraw/zinc/13/70/28/1045137028.db2.gz NNRXFNRDIMXFCL-CXAGYDPISA-N 0 3 308.381 4.089 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586755 1045153648 /nfs/dbraw/zinc/15/36/48/1045153648.db2.gz OPTGNJXEKPSQKP-QFUCXCTJSA-N 0 3 320.436 4.479 20 30 DIEDHN CC[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447587397 1045153672 /nfs/dbraw/zinc/15/36/72/1045153672.db2.gz QXCABTOQKGHFJK-QGZVFWFLSA-N 0 3 316.351 4.401 20 30 DIEDHN CC[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)cc1 ZINC000447606821 1045159901 /nfs/dbraw/zinc/15/99/01/1045159901.db2.gz NSJOMDAVUXQJOI-KRWDZBQOSA-N 0 3 320.392 4.017 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000577795865 1045172288 /nfs/dbraw/zinc/17/22/88/1045172288.db2.gz XCOGTXIZUYEPDL-LBPRGKRZSA-N 0 3 302.780 4.396 20 30 DIEDHN N#Cc1cccc(CN(CCc2ccc(F)cc2)C2CC2)c1F ZINC000557434440 1045177356 /nfs/dbraw/zinc/17/73/56/1045177356.db2.gz XSFFLBWSNVQNQX-UHFFFAOYSA-N 0 3 312.363 4.044 20 30 DIEDHN CSCc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000578102643 1045208892 /nfs/dbraw/zinc/20/88/92/1045208892.db2.gz SIKJCIQOSNZXDG-IBGZPJMESA-N 0 3 308.450 4.198 20 30 DIEDHN Cc1ncc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299158 1045211711 /nfs/dbraw/zinc/21/17/11/1045211711.db2.gz JEMUUMBWBLVTNN-SJKOYZFVSA-N 0 3 311.454 4.442 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292434 1045212432 /nfs/dbraw/zinc/21/24/32/1045212432.db2.gz WZFPPGXFOKVGOS-SFHLNBCPSA-N 0 3 319.452 4.427 20 30 DIEDHN C[C@@H](NCCCCC#N)c1ncc(C(F)(F)F)cc1Cl ZINC000924941248 1045212603 /nfs/dbraw/zinc/21/26/03/1045212603.db2.gz FMPCZMKJGPSSOP-SECBINFHSA-N 0 3 305.731 4.098 20 30 DIEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000925185594 1045233207 /nfs/dbraw/zinc/23/32/07/1045233207.db2.gz NEXCGQWEWTVUSV-HUUCEWRRSA-N 0 3 308.425 4.197 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 ZINC000925185596 1045233512 /nfs/dbraw/zinc/23/35/12/1045233512.db2.gz NEXCGQWEWTVUSV-LSDHHAIUSA-N 0 3 308.425 4.197 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cccnc2C)cc1 ZINC000527987444 1045293988 /nfs/dbraw/zinc/29/39/88/1045293988.db2.gz OPGHFIFETVRMDR-AWEZNQCLSA-N 0 3 316.832 4.372 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cccnc2C)cc1 ZINC000527987449 1045294000 /nfs/dbraw/zinc/29/40/00/1045294000.db2.gz OPGHFIFETVRMDR-CQSZACIVSA-N 0 3 316.832 4.372 20 30 DIEDHN C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ncccc1F ZINC000528035359 1045295470 /nfs/dbraw/zinc/29/54/70/1045295470.db2.gz GRDAIGDERIDHTK-FVWXCPNNSA-N 0 3 323.415 4.275 20 30 DIEDHN CC[C@H](N[C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043146 1045299768 /nfs/dbraw/zinc/29/97/68/1045299768.db2.gz LIYPYCBBDSDHDT-ICSRJNTNSA-N 0 3 321.424 4.154 20 30 DIEDHN C=CCCCC[C@@H](C)Nc1ccccc1CN1CCC(O)CC1 ZINC000449041850 1045339513 /nfs/dbraw/zinc/33/95/13/1045339513.db2.gz ORHFASMYJIWDAL-QGZVFWFLSA-N 0 3 316.489 4.190 20 30 DIEDHN Cc1cc(Cl)ccc1C1=CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000528740504 1045406636 /nfs/dbraw/zinc/40/66/36/1045406636.db2.gz AHVGJOHKLRXUHB-RHSMWYFYSA-N 0 3 300.833 4.430 20 30 DIEDHN Cc1cc(Cl)ccc1C1=CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000528740508 1045406655 /nfs/dbraw/zinc/40/66/55/1045406655.db2.gz AHVGJOHKLRXUHB-WMLDXEAASA-N 0 3 300.833 4.430 20 30 DIEDHN C=CCC1(CNCc2csc(-c3ccccn3)n2)CCCC1 ZINC000449605768 1045419996 /nfs/dbraw/zinc/41/99/96/1045419996.db2.gz OFHLBZZEOLUTRR-UHFFFAOYSA-N 0 3 313.470 4.431 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000528910381 1045426961 /nfs/dbraw/zinc/42/69/61/1045426961.db2.gz REJRZCTZZONWDT-NSHDSACASA-N 0 3 324.327 4.269 20 30 DIEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3ccc(C#N)s3)C2)c1 ZINC000449754376 1045434283 /nfs/dbraw/zinc/43/42/83/1045434283.db2.gz JJYFGMLOKMJLHG-SHTZXODSSA-N 0 3 312.438 4.006 20 30 DIEDHN C=CCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CCCC1 ZINC000450105496 1045469358 /nfs/dbraw/zinc/46/93/58/1045469358.db2.gz PFBVIJIWUXSZIZ-UHFFFAOYSA-N 0 3 300.446 4.132 20 30 DIEDHN C[C@@H](NCC1(C#N)CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450730152 1045554597 /nfs/dbraw/zinc/55/45/97/1045554597.db2.gz VPKBSIJHKOJFDG-CHWSQXEVSA-N 0 3 310.363 4.481 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000113960930 1045563403 /nfs/dbraw/zinc/56/34/03/1045563403.db2.gz JFCAXOPYFUQRMQ-CYBMUJFWSA-N 0 3 320.845 4.372 20 30 DIEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000800385169 1045613642 /nfs/dbraw/zinc/61/36/42/1045613642.db2.gz TVENWEQWELWLHF-PBHICJAKSA-N 0 3 322.408 4.313 20 30 DIEDHN N#CC(C(=O)c1cccc2ccccc21)c1cnc2ccccc2n1 ZINC000190909976 1045630357 /nfs/dbraw/zinc/63/03/57/1045630357.db2.gz LKRKLUPXGKRMGA-QGZVFWFLSA-N 0 3 323.355 4.273 20 30 DIEDHN CC(C)Sc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000190948870 1045633962 /nfs/dbraw/zinc/63/39/62/1045633962.db2.gz GCPOBGWDTNAXLR-AWEZNQCLSA-N 0 3 313.470 4.248 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000800524333 1045639370 /nfs/dbraw/zinc/63/93/70/1045639370.db2.gz GYKNHGWPQWDDTJ-LBPRGKRZSA-N 0 3 323.462 4.031 20 30 DIEDHN Cn1cc(CN[C@@H](Cc2ccccc2)c2cccs2)cc1C#N ZINC000191102810 1045655691 /nfs/dbraw/zinc/65/56/91/1045655691.db2.gz ZYNFUYPQCYGGKN-SFHVURJKSA-N 0 3 321.449 4.032 20 30 DIEDHN C#CC[C@@H](NCc1ccc(-c2cnn(C)c2)s1)c1ccccc1 ZINC000800888199 1045661958 /nfs/dbraw/zinc/66/19/58/1045661958.db2.gz SRYAAWCWCDFAAX-GOSISDBHSA-N 0 3 321.449 4.003 20 30 DIEDHN C[C@H](c1ccc(Cl)cc1)N(Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191223334 1045665891 /nfs/dbraw/zinc/66/58/91/1045665891.db2.gz LKCBPTWTBQPYCJ-CYBMUJFWSA-N 0 3 313.832 4.276 20 30 DIEDHN CCCC[N@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1[O-] ZINC000801596381 1045747874 /nfs/dbraw/zinc/74/78/74/1045747874.db2.gz XLZKKOMMJKPZBI-UHFFFAOYSA-N 0 3 308.425 4.375 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1[O-] ZINC000801596381 1045747883 /nfs/dbraw/zinc/74/78/83/1045747883.db2.gz XLZKKOMMJKPZBI-UHFFFAOYSA-N 0 3 308.425 4.375 20 30 DIEDHN CCCC[N@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccccc1[O-] ZINC000801594565 1045749361 /nfs/dbraw/zinc/74/93/61/1045749361.db2.gz GCLAUAGCSALJQU-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccccc1[O-] ZINC000801594565 1045749373 /nfs/dbraw/zinc/74/93/73/1045749373.db2.gz GCLAUAGCSALJQU-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1OC ZINC000801599424 1045751288 /nfs/dbraw/zinc/75/12/88/1045751288.db2.gz NKOVOVKPEQMLQF-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1OC ZINC000801599424 1045751300 /nfs/dbraw/zinc/75/13/00/1045751300.db2.gz NKOVOVKPEQMLQF-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC000192100987 1045779801 /nfs/dbraw/zinc/77/98/01/1045779801.db2.gz MXFQFPJUBARJAO-LJQANCHMSA-N 0 3 312.363 4.467 20 30 DIEDHN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(C#N)c(F)c1 ZINC000192216264 1045794548 /nfs/dbraw/zinc/79/45/48/1045794548.db2.gz KZXLKUZJZMIYLM-UHFFFAOYSA-N 0 3 307.372 4.201 20 30 DIEDHN C[C@@H](C#N)OCCN(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000801916403 1045835665 /nfs/dbraw/zinc/83/56/65/1045835665.db2.gz XJMSLIONZXVETH-HOTGVXAUSA-N 0 3 314.454 4.240 20 30 DIEDHN Cc1cc(F)ccc1CN(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000754155024 1045856571 /nfs/dbraw/zinc/85/65/71/1045856571.db2.gz UGFWIUQTQHNRJK-HNNXBMFYSA-N 0 3 312.388 4.057 20 30 DIEDHN Cc1nc(Cl)ccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000802034395 1045879498 /nfs/dbraw/zinc/87/94/98/1045879498.db2.gz LXUXQVPCLUJKCE-CQSZACIVSA-N 0 3 321.767 4.082 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)ccc2NC)c1 ZINC000902244761 1045956019 /nfs/dbraw/zinc/95/60/19/1045956019.db2.gz YGTSRYLLTBTRKS-GOSISDBHSA-N 0 3 323.440 4.008 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000193005965 1045960992 /nfs/dbraw/zinc/96/09/92/1045960992.db2.gz RYQPOVHXAZKFNZ-INIZCTEOSA-N 0 3 324.424 4.227 20 30 DIEDHN COc1ccc(CNCc2ccc(C3CCC3)cc2)cc1C#N ZINC000755224039 1045964035 /nfs/dbraw/zinc/96/40/35/1045964035.db2.gz XVFBEXMZVAQPGC-UHFFFAOYSA-N 0 3 306.409 4.124 20 30 DIEDHN Cc1cccc(C)c1CN1CCC(C#N)(c2ccccc2F)CC1 ZINC001137854513 1045985332 /nfs/dbraw/zinc/98/53/32/1045985332.db2.gz ZWTIXRGCQWRUMW-UHFFFAOYSA-N 0 3 322.427 4.500 20 30 DIEDHN CN(c1ccc(C#N)cc1)c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC001137904076 1046005123 /nfs/dbraw/zinc/00/51/23/1046005123.db2.gz LKVYDGHQJZLWFV-HXUWFJFHSA-N 0 3 323.415 4.260 20 30 DIEDHN CNc1ccc(C)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000902600082 1046032660 /nfs/dbraw/zinc/03/26/60/1046032660.db2.gz BTVKZJAYLKPTLD-FQEVSTJZSA-N 0 3 305.425 4.076 20 30 DIEDHN CNc1ccc(C)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000902600084 1046032859 /nfs/dbraw/zinc/03/28/59/1046032859.db2.gz BTVKZJAYLKPTLD-HXUWFJFHSA-N 0 3 305.425 4.076 20 30 DIEDHN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340037 1046043932 /nfs/dbraw/zinc/04/39/32/1046043932.db2.gz BPYKXLKVWOOANK-AUUYWEPGSA-N 0 3 323.415 4.319 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765974 1046064086 /nfs/dbraw/zinc/06/40/86/1046064086.db2.gz DHDJLYRIMVLXIM-SCLBCKFNSA-N 0 3 309.369 4.268 20 30 DIEDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(C#N)cc1 ZINC000756459745 1046084004 /nfs/dbraw/zinc/08/40/04/1046084004.db2.gz WXCCQPBXHISQBL-XHBSWPGZSA-N 0 3 310.372 4.302 20 30 DIEDHN C=CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccncc1 ZINC000756582939 1046104057 /nfs/dbraw/zinc/10/40/57/1046104057.db2.gz LMHBTXQHKKARMK-RCBQFDQVSA-N 0 3 312.388 4.382 20 30 DIEDHN Cc1ccc([C@H](NCc2ccc(OCC#N)cc2)C2CCC2)o1 ZINC000756688270 1046121366 /nfs/dbraw/zinc/12/13/66/1046121366.db2.gz ZMRFHYDRHVGCQY-LJQANCHMSA-N 0 3 310.397 4.121 20 30 DIEDHN C[C@H](NCc1cc(C#N)ccc1F)c1cc2c(cc1O)CCCC2 ZINC000756731866 1046124207 /nfs/dbraw/zinc/12/42/07/1046124207.db2.gz JLTZDCKUIWJVES-ZDUSSCGKSA-N 0 3 324.399 4.133 20 30 DIEDHN CC[C@H](NCc1ccnc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000903006501 1046138750 /nfs/dbraw/zinc/13/87/50/1046138750.db2.gz JPYFJQMZGXMLOS-HNNXBMFYSA-N 0 3 319.330 4.213 20 30 DIEDHN C#CC[C@@H](NCc1cccc(Br)c1)c1ccccc1 ZINC000756996323 1046157109 /nfs/dbraw/zinc/15/71/09/1046157109.db2.gz QBBQDCMQWWZPBS-QGZVFWFLSA-N 0 3 314.226 4.303 20 30 DIEDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000903079610 1046159012 /nfs/dbraw/zinc/15/90/12/1046159012.db2.gz FYOPWNFMFYWBSB-QGZVFWFLSA-N 0 3 309.369 4.016 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131158 1046170359 /nfs/dbraw/zinc/17/03/59/1046170359.db2.gz QXYIUQHFZOONKV-IIBYNOLFSA-N 0 3 321.420 4.165 20 30 DIEDHN CCOc1ccc2ccccc2c1CN1CCC[C@H](CC#N)C1 ZINC001138443370 1046182775 /nfs/dbraw/zinc/18/27/75/1046182775.db2.gz AGZSDVMCTDQYNQ-MRXNPFEDSA-N 0 3 308.425 4.364 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000903286616 1046224712 /nfs/dbraw/zinc/22/47/12/1046224712.db2.gz CSHMEFJPEVGCRX-FZKQIMNGSA-N 0 3 309.369 4.268 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001138559062 1046224842 /nfs/dbraw/zinc/22/48/42/1046224842.db2.gz NOUSDJDKLHNOSF-FQEVSTJZSA-N 0 3 309.384 4.175 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)N[C@H](c1ncccn1)C1CC1 ZINC000903324758 1046238454 /nfs/dbraw/zinc/23/84/54/1046238454.db2.gz QYLXHKNCNZLMCS-MOPGFXCFSA-N 0 3 307.441 4.095 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)N[C@H](c1ncccn1)C1CC1 ZINC000903324759 1046239995 /nfs/dbraw/zinc/23/99/95/1046239995.db2.gz QYLXHKNCNZLMCS-OALUTQOASA-N 0 3 307.441 4.095 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC001138627613 1046245701 /nfs/dbraw/zinc/24/57/01/1046245701.db2.gz BYMLSLUDXVXBFA-QGZVFWFLSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC001138627613 1046245717 /nfs/dbraw/zinc/24/57/17/1046245717.db2.gz BYMLSLUDXVXBFA-QGZVFWFLSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC001138628199 1046246043 /nfs/dbraw/zinc/24/60/43/1046246043.db2.gz QJFDTCFBQAQDHN-KRWDZBQOSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC001138628199 1046246059 /nfs/dbraw/zinc/24/60/59/1046246059.db2.gz QJFDTCFBQAQDHN-KRWDZBQOSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCCc3ccc(OC)cc3C2)c1[O-] ZINC001138631511 1046250307 /nfs/dbraw/zinc/25/03/07/1046250307.db2.gz UNICVZYTYLFWJQ-UHFFFAOYSA-N 0 3 323.436 4.078 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCCc3ccc(OC)cc3C2)c1[O-] ZINC001138631511 1046250316 /nfs/dbraw/zinc/25/03/16/1046250316.db2.gz UNICVZYTYLFWJQ-UHFFFAOYSA-N 0 3 323.436 4.078 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC(c2cccnc2)CC1 ZINC001138666047 1046259455 /nfs/dbraw/zinc/25/94/55/1046259455.db2.gz GOVWNMRVTLFORO-UHFFFAOYSA-N 0 3 322.452 4.416 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCc3ccccc3[C@H]2C)cc1 ZINC000245803189 1046271320 /nfs/dbraw/zinc/27/13/20/1046271320.db2.gz YCWQFSZKCALWQU-HZPDHXFCSA-N 0 3 306.409 4.097 20 30 DIEDHN COc1cc(C)c(CN(C)Cc2cccc(C#N)c2)c(C)c1C ZINC001138727242 1046279212 /nfs/dbraw/zinc/27/92/12/1046279212.db2.gz MHAKVZKFEAYVTB-UHFFFAOYSA-N 0 3 308.425 4.124 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000245900321 1046281718 /nfs/dbraw/zinc/28/17/18/1046281718.db2.gz LDFYMXSIOSWAQQ-QKPAOTATSA-N 0 3 321.424 4.346 20 30 DIEDHN CCCCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001138954718 1046336884 /nfs/dbraw/zinc/33/68/84/1046336884.db2.gz ZFYUTFCBVHORHG-UHFFFAOYSA-N 0 3 308.425 4.369 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000748270735 1046361636 /nfs/dbraw/zinc/36/16/36/1046361636.db2.gz WWQYFPZIAPDCHM-PXNSSMCTSA-N 0 3 324.399 4.284 20 30 DIEDHN C=CCOc1ccccc1CN1CC[C@@H](OCc2ccccc2)C1 ZINC001139029820 1046363576 /nfs/dbraw/zinc/36/35/76/1046363576.db2.gz QEVKPXKBESVAOE-HXUWFJFHSA-N 0 3 323.436 4.043 20 30 DIEDHN C=CCOc1ccccc1CN1CC[C@H](OCc2ccccc2)C1 ZINC001139029819 1046365612 /nfs/dbraw/zinc/36/56/12/1046365612.db2.gz QEVKPXKBESVAOE-FQEVSTJZSA-N 0 3 323.436 4.043 20 30 DIEDHN CCn1ccc2c1cccc2CN1CCc2ccc(C#N)cc2C1 ZINC001139153992 1046396387 /nfs/dbraw/zinc/39/63/87/1046396387.db2.gz YSBJIMNNRGBGRC-UHFFFAOYSA-N 0 3 315.420 4.091 20 30 DIEDHN Cc1nc2c(s1)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745248 1046402202 /nfs/dbraw/zinc/40/22/02/1046402202.db2.gz HTKYZFLCZFZTJH-MEBBXXQBSA-N 0 3 315.417 4.191 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1 ZINC000748801914 1046408040 /nfs/dbraw/zinc/40/80/40/1046408040.db2.gz BOHJUBRVZCZNCG-UHFFFAOYSA-N 0 3 313.832 4.265 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639863373 1046432255 /nfs/dbraw/zinc/43/22/55/1046432255.db2.gz HUFDPJMYAFRUAP-NMWPEEMBSA-N 0 3 315.379 4.107 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644592 1046434953 /nfs/dbraw/zinc/43/49/53/1046434953.db2.gz ZNRIGRFUAHGRKB-BXKDBHETSA-N 0 3 302.727 4.141 20 30 DIEDHN C[C@]1(F)CCCCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401505 1046443540 /nfs/dbraw/zinc/44/35/40/1046443540.db2.gz AUIQELXDQHDVEW-FQEVSTJZSA-N 0 3 323.415 4.334 20 30 DIEDHN N#Cc1ccc(Oc2ccc(CN3CCC34CCCC4)cn2)cc1 ZINC001139427143 1046450844 /nfs/dbraw/zinc/45/08/44/1046450844.db2.gz WHBIAUMXGGNQIE-UHFFFAOYSA-N 0 3 319.408 4.264 20 30 DIEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1C(C)C ZINC001139624285 1046490259 /nfs/dbraw/zinc/49/02/59/1046490259.db2.gz KOOHUWIJOLDPSH-UHFFFAOYSA-N 0 3 308.425 4.322 20 30 DIEDHN COc1ccccc1[C@@H](C)N(C)Cc1c[nH]c2c1cccc2C#N ZINC001139706318 1046501288 /nfs/dbraw/zinc/50/12/88/1046501288.db2.gz RBUCGWIIEOLNQK-CQSZACIVSA-N 0 3 319.408 4.241 20 30 DIEDHN Cc1ccc(CN2CCC(C#Cc3ccccc3)CC2)cc1C#N ZINC001139727191 1046507122 /nfs/dbraw/zinc/50/71/22/1046507122.db2.gz IMSDFLVQPLFSBQ-UHFFFAOYSA-N 0 3 314.432 4.130 20 30 DIEDHN COCC#CCN(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000677817453 1046530079 /nfs/dbraw/zinc/53/00/79/1046530079.db2.gz MEEBAYVAXJXAGA-QGZVFWFLSA-N 0 3 323.436 4.005 20 30 DIEDHN C=CC[C@@H](NCc1ccc2nc(C)ccc2c1)c1ccncc1 ZINC000782529380 1046534953 /nfs/dbraw/zinc/53/49/53/1046534953.db2.gz MCSQSDVTGCSRIV-LJQANCHMSA-N 0 3 303.409 4.345 20 30 DIEDHN C=CCOc1ccccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000678212963 1046588551 /nfs/dbraw/zinc/58/85/51/1046588551.db2.gz RFLWASPGJOVKMI-IBGZPJMESA-N 0 3 309.409 4.294 20 30 DIEDHN C[C@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140110950 1046591381 /nfs/dbraw/zinc/59/13/81/1046591381.db2.gz VMWNQWIUALHYOQ-AWEZNQCLSA-N 0 3 301.393 4.159 20 30 DIEDHN N#Cc1ccc2[nH]cc(CN3CC=C(c4ccccc4)CC3)c2c1 ZINC001140115604 1046594567 /nfs/dbraw/zinc/59/45/67/1046594567.db2.gz IFCZYEDOZDRNRS-UHFFFAOYSA-N 0 3 313.404 4.329 20 30 DIEDHN CC(C)Oc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000729686051 1046599696 /nfs/dbraw/zinc/59/96/96/1046599696.db2.gz UPDDAHJSHNZPDY-INIZCTEOSA-N 0 3 324.424 4.227 20 30 DIEDHN COc1ccc(CN(Cc2cccc(F)c2)C(C)C)cc1C#N ZINC000533079848 1046650607 /nfs/dbraw/zinc/65/06/07/1046650607.db2.gz ACJZLXFMUGHIJR-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nc(Br)cs1 ZINC000834702495 1046652175 /nfs/dbraw/zinc/65/21/75/1046652175.db2.gz PFOMWIIBVJSZBG-ZJUUUORDSA-N 0 3 303.269 4.301 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(-c2nccs2)c1 ZINC001140336498 1046665154 /nfs/dbraw/zinc/66/51/54/1046665154.db2.gz HAQDVXYOICZLHW-UHFFFAOYSA-N 0 3 319.433 4.314 20 30 DIEDHN N#CCCC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834810231 1046673776 /nfs/dbraw/zinc/67/37/76/1046673776.db2.gz ALRBOPGOXXHATF-QZTJIDSGSA-N 0 3 306.409 4.404 20 30 DIEDHN N#CCCC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834810227 1046674339 /nfs/dbraw/zinc/67/43/39/1046674339.db2.gz ALRBOPGOXXHATF-MSOLQXFVSA-N 0 3 306.409 4.404 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Cl)nc1 ZINC000795778683 1046676726 /nfs/dbraw/zinc/67/67/26/1046676726.db2.gz RIFYXTHTYATFFA-QGZVFWFLSA-N 0 3 311.816 4.164 20 30 DIEDHN N#CCc1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000784262886 1046677861 /nfs/dbraw/zinc/67/78/61/1046677861.db2.gz JCIQUDXUYXLXPI-UHFFFAOYSA-N 0 3 323.827 4.090 20 30 DIEDHN Cc1scc(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000678640663 1046683305 /nfs/dbraw/zinc/68/33/05/1046683305.db2.gz OEAYDZZNKCLHRK-CQSZACIVSA-N 0 3 306.390 4.403 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744296 1046693093 /nfs/dbraw/zinc/69/30/93/1046693093.db2.gz KKYKKKJJZUXIPY-SJORKVTESA-N 0 3 308.425 4.113 20 30 DIEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000834903452 1046713977 /nfs/dbraw/zinc/71/39/77/1046713977.db2.gz PNRUKJPTJMZIPA-AWEZNQCLSA-N 0 3 311.450 4.249 20 30 DIEDHN CCCCCN(CC(=O)Nc1sccc1C#N)[C@H](C)CCC ZINC000533406559 1046715557 /nfs/dbraw/zinc/71/55/57/1046715557.db2.gz KOLDNRCAKZOIBQ-CQSZACIVSA-N 0 3 321.490 4.239 20 30 DIEDHN CCCCCN(CC(=O)Nc1sccc1C#N)[C@@H](C)CCC ZINC000533406552 1046716572 /nfs/dbraw/zinc/71/65/72/1046716572.db2.gz KOLDNRCAKZOIBQ-AWEZNQCLSA-N 0 3 321.490 4.239 20 30 DIEDHN C=CCC[C@H](NC[C@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943499 1046761147 /nfs/dbraw/zinc/76/11/47/1046761147.db2.gz ZHLXEAOYEWIPGY-WMZOPIPTSA-N 0 3 319.832 4.438 20 30 DIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)cc1 ZINC000303203809 1046891170 /nfs/dbraw/zinc/89/11/70/1046891170.db2.gz MMFRTEVWQSKDTB-MRXNPFEDSA-N 0 3 314.429 4.113 20 30 DIEDHN Cc1cc(F)ccc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001140782000 1046894809 /nfs/dbraw/zinc/89/48/09/1046894809.db2.gz YLBAUXHCKDDYLU-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000614991422 1046899543 /nfs/dbraw/zinc/89/95/43/1046899543.db2.gz UWSLLOYHHDEZHR-IBGZPJMESA-N 0 3 305.425 4.124 20 30 DIEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000797939811 1046908480 /nfs/dbraw/zinc/90/84/80/1046908480.db2.gz JSYNXTRLLQTOQU-GXTWGEPZSA-N 0 3 314.335 4.237 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc2cnccc21 ZINC000679983431 1046919800 /nfs/dbraw/zinc/91/98/00/1046919800.db2.gz NTXWNIQKBTWKJF-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080453639 1047049461 /nfs/dbraw/zinc/04/94/61/1047049461.db2.gz ATWNWFRXGLGDCV-ZDUSSCGKSA-N 0 3 314.410 4.074 20 30 DIEDHN CCCCCCCCN(C)Cc1cc(F)cc2c1OCOC2 ZINC001141394475 1047116328 /nfs/dbraw/zinc/11/63/28/1047116328.db2.gz ZKVKGUGOOLJCAA-UHFFFAOYSA-N 0 3 309.425 4.485 20 30 DIEDHN CCOc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC001116321210 1047129443 /nfs/dbraw/zinc/12/94/43/1047129443.db2.gz BVQQAOYBXDOTEO-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN C[C@H]1CC[C@@](C)(C(=O)C(C#N)c2nc3ccccc3o2)C1(C)C ZINC000838790018 1047155900 /nfs/dbraw/zinc/15/59/00/1047155900.db2.gz BWYFJXTVRYGLQW-QUJCMNEKSA-N 0 3 310.397 4.466 20 30 DIEDHN CC(C)(NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC001116822528 1047180563 /nfs/dbraw/zinc/18/05/63/1047180563.db2.gz LWFUJXOKDQUECE-UHFFFAOYSA-N 0 3 324.428 4.057 20 30 DIEDHN CCC1(c2ccccc2)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839187270 1047202365 /nfs/dbraw/zinc/20/23/65/1047202365.db2.gz TVOIFYFHSKSRCH-KRWDZBQOSA-N 0 3 320.436 4.141 20 30 DIEDHN C(#Cc1ccccc1)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000683013657 1047255217 /nfs/dbraw/zinc/25/52/17/1047255217.db2.gz ICPSKIMNPVNHKJ-HXUWFJFHSA-N 0 3 314.432 4.399 20 30 DIEDHN CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000925316522 1047255137 /nfs/dbraw/zinc/25/51/37/1047255137.db2.gz HEGIBAZJTCBKMF-HUUCEWRRSA-N 0 3 315.461 4.089 20 30 DIEDHN CC1(C#N)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141738841 1047283131 /nfs/dbraw/zinc/28/31/31/1047283131.db2.gz CQRIDRQJEBWAOY-UHFFFAOYSA-N 0 3 302.421 4.383 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000796441040 1047285134 /nfs/dbraw/zinc/28/51/34/1047285134.db2.gz DXOFPDYREIQYQJ-UHFFFAOYSA-N 0 3 323.436 4.255 20 30 DIEDHN SC1CCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141977340 1047326589 /nfs/dbraw/zinc/32/65/89/1047326589.db2.gz BQNAGYRAOJCKJH-UHFFFAOYSA-N 0 3 313.491 4.042 20 30 DIEDHN CCCN(CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000537518535 1047352407 /nfs/dbraw/zinc/35/24/07/1047352407.db2.gz LFHZMOOSMCULCF-UHFFFAOYSA-N 0 3 306.409 4.043 20 30 DIEDHN N#Cc1cc(CN[C@H](Cc2ccccc2)c2cccs2)ccn1 ZINC000612480855 1047431733 /nfs/dbraw/zinc/43/17/33/1047431733.db2.gz FBDRZYZHLMDUIG-GOSISDBHSA-N 0 3 319.433 4.088 20 30 DIEDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000841761237 1047454618 /nfs/dbraw/zinc/45/46/18/1047454618.db2.gz HVOOAVALKBIHKY-KUHUBIRLSA-N 0 3 306.409 4.301 20 30 DIEDHN N#CCc1ccc(CNCc2ccccc2N2CCCCC2)cc1 ZINC000842720187 1047499665 /nfs/dbraw/zinc/49/96/65/1047499665.db2.gz SCZCVEAKJYBJLD-UHFFFAOYSA-N 0 3 319.452 4.033 20 30 DIEDHN N#CC(C(=O)C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802981 1047505312 /nfs/dbraw/zinc/50/53/12/1047505312.db2.gz KTPBXTYIHNUOCG-SZZPACECSA-N 0 3 308.303 4.023 20 30 DIEDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1[O-] ZINC000842886662 1047511397 /nfs/dbraw/zinc/51/13/97/1047511397.db2.gz GIPVVWSATHWTHK-ZDUSSCGKSA-N 0 3 314.816 4.271 20 30 DIEDHN C[C@H](NC1(c2cccc(F)c2)CCC1)c1ccc(OCC#N)cc1 ZINC000842900665 1047512712 /nfs/dbraw/zinc/51/27/12/1047512712.db2.gz GKDPHWWODZNFOL-HNNXBMFYSA-N 0 3 324.399 4.458 20 30 DIEDHN N#Cc1ccc2c(CN3CCCC[C@H]3c3cccnc3)c[nH]c2c1 ZINC001142920850 1047514703 /nfs/dbraw/zinc/51/47/03/1047514703.db2.gz DCBDBNGOGUFDBO-FQEVSTJZSA-N 0 3 316.408 4.162 20 30 DIEDHN N#Cc1ccccc1COc1cccc(CN2CCC23CCC3)c1 ZINC000537636016 1047518432 /nfs/dbraw/zinc/51/84/32/1047518432.db2.gz HXROTINLXXOAHY-UHFFFAOYSA-N 0 3 318.420 4.266 20 30 DIEDHN CN(Cc1c(F)ccc(C#N)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001143170248 1047537723 /nfs/dbraw/zinc/53/77/23/1047537723.db2.gz DKGBVTILGPOAOG-UHFFFAOYSA-N 0 3 316.395 4.237 20 30 DIEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000093315560 1047545664 /nfs/dbraw/zinc/54/56/64/1047545664.db2.gz RKZHEBWZOFTJSC-INIZCTEOSA-N 0 3 324.424 4.268 20 30 DIEDHN C#CC[C@@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000843423937 1047549848 /nfs/dbraw/zinc/54/98/48/1047549848.db2.gz MBNUAPDHDYSYKJ-CYBMUJFWSA-N 0 3 302.468 4.107 20 30 DIEDHN COc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1C ZINC000926903388 1047578729 /nfs/dbraw/zinc/57/87/29/1047578729.db2.gz UMLHHEFCDBRZIL-LIRRHRJNSA-N 0 3 306.409 4.213 20 30 DIEDHN C=C(C)c1cccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC001158609761 1047791370 /nfs/dbraw/zinc/79/13/70/1047791370.db2.gz DJGNJELNMPPPBD-IBGZPJMESA-N 0 3 312.457 4.455 20 30 DIEDHN Cc1cnccc1Nc1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001174538801 1047866341 /nfs/dbraw/zinc/86/63/41/1047866341.db2.gz RFPSDDONWDAYKH-UHFFFAOYSA-N 0 3 311.694 4.099 20 30 DIEDHN CC[C@@H](NCc1cncc(C#N)c1)c1cccc2ccccc21 ZINC001197864232 1047897769 /nfs/dbraw/zinc/89/77/69/1047897769.db2.gz LQGNALSWBHQJIH-HXUWFJFHSA-N 0 3 301.393 4.347 20 30 DIEDHN C=CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)C ZINC001174641063 1047916777 /nfs/dbraw/zinc/91/67/77/1047916777.db2.gz AKICSACHXPKVPJ-UHFFFAOYSA-N 0 3 316.323 4.400 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000479836685 1047982107 /nfs/dbraw/zinc/98/21/07/1047982107.db2.gz JONHYKNHYCZDSG-UHFFFAOYSA-N 0 3 303.409 4.061 20 30 DIEDHN C#CCN(Cc1ccc(Oc2ccc(OC)cc2)cc1)C(C)C ZINC001184115967 1048001637 /nfs/dbraw/zinc/00/16/37/1048001637.db2.gz QVNAMCULQJYKHQ-UHFFFAOYSA-N 0 3 309.409 4.331 20 30 DIEDHN CCCCCCN(O)C(=O)c1cccc(CN2CCCCC2)c1 ZINC001184314820 1048022594 /nfs/dbraw/zinc/02/25/94/1048022594.db2.gz LXUCASMQOPOBQX-UHFFFAOYSA-N 0 3 318.461 4.084 20 30 DIEDHN CCCCCCC[C@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000775972865 1048068674 /nfs/dbraw/zinc/06/86/74/1048068674.db2.gz YUAGSJYVRFHMSC-RDJZCZTQSA-N 0 3 300.450 4.233 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC001160826790 1048089179 /nfs/dbraw/zinc/08/91/79/1048089179.db2.gz GELMUWORJMCOKH-ZWKOTPCHSA-N 0 3 306.494 4.022 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 ZINC001161443373 1048131121 /nfs/dbraw/zinc/13/11/21/1048131121.db2.gz RMMMSKRKHHYEPC-HKUYNNGSSA-N 0 3 316.489 4.448 20 30 DIEDHN CN(C)/C=N/c1ccc(N[C@@H](c2ccccc2)C2CC2)cc1C#N ZINC001161961699 1048201165 /nfs/dbraw/zinc/20/11/65/1048201165.db2.gz KVIUBGFLZLNGOY-ISXGRJCASA-N 0 3 318.424 4.343 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NC1(c3ccc(Cl)cc3)CC1)CC2 ZINC000555000560 1048250240 /nfs/dbraw/zinc/25/02/40/1048250240.db2.gz RNDBGRVVDDVSSR-GOSISDBHSA-N 0 3 308.812 4.478 20 30 DIEDHN N#Cc1ccsc1N=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201470873 1048294764 /nfs/dbraw/zinc/29/47/64/1048294764.db2.gz XQVBYWRVCJNDAU-MSOLQXFVSA-N 0 3 321.449 4.352 20 30 DIEDHN CCCCCCCN1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376242 /nfs/dbraw/zinc/37/62/42/1048376242.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 0 3 320.525 4.070 20 30 DIEDHN CCCCCCCCCN1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201840309 1048387223 /nfs/dbraw/zinc/38/72/23/1048387223.db2.gz YAQLKLYJNNSYTJ-SFHVURJKSA-N 0 3 321.509 4.106 20 30 DIEDHN CCCCCCCCCN1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201839656 1048387324 /nfs/dbraw/zinc/38/73/24/1048387324.db2.gz OUNOKRMQRLVNMV-SFHVURJKSA-N 0 3 321.509 4.106 20 30 DIEDHN C[C@@]1(C2CCCCC2)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175642799 1048387555 /nfs/dbraw/zinc/38/75/55/1048387555.db2.gz AMTFJIFCHKSBGZ-SFHVURJKSA-N 0 3 313.401 4.011 20 30 DIEDHN CCCCCCCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001201845896 1048387976 /nfs/dbraw/zinc/38/79/76/1048387976.db2.gz AAMGGCWZCGVHAD-UHFFFAOYSA-N 0 3 302.453 4.152 20 30 DIEDHN CCCCCCCCCCN1Cc2ccnn2C[C@H](COC)C1 ZINC001201875281 1048393615 /nfs/dbraw/zinc/39/36/15/1048393615.db2.gz TXOAUNSSKJNWPP-GOSISDBHSA-N 0 3 321.509 4.102 20 30 DIEDHN CCCCCCCCCCN1Cc2ccnn2C[C@@H](COC)C1 ZINC001201875282 1048393886 /nfs/dbraw/zinc/39/38/86/1048393886.db2.gz TXOAUNSSKJNWPP-SFHVURJKSA-N 0 3 321.509 4.102 20 30 DIEDHN CC(C)[C@@H](C#N)c1ccc(N[C@@H]2CNCc3ccsc32)cc1 ZINC001163228606 1048440527 /nfs/dbraw/zinc/44/05/27/1048440527.db2.gz LPCBJAWILJIVPH-IAGOWNOFSA-N 0 3 311.454 4.268 20 30 DIEDHN Cc1cc(NC(=N)c2ccc(C(F)(F)F)cc2)ccc1CC#N ZINC001163683514 1048503282 /nfs/dbraw/zinc/50/32/82/1048503282.db2.gz DUSSNHWXEPUSDT-UHFFFAOYSA-N 0 3 317.314 4.117 20 30 DIEDHN N#Cc1cc(Cl)cc(CN[C@H]2CCc3c2cccc3F)c1 ZINC001176226201 1048609160 /nfs/dbraw/zinc/60/91/60/1048609160.db2.gz DTKDPEVAPCRDID-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN Cc1nc2c(s1)[C@H](NCc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000850238788 1048626405 /nfs/dbraw/zinc/62/64/05/1048626405.db2.gz BVWWYTAGFJKDTQ-MRXNPFEDSA-N 0 3 323.465 4.174 20 30 DIEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1C ZINC000160137880 1048644367 /nfs/dbraw/zinc/64/43/67/1048644367.db2.gz ADQYFYIFQKBUCK-CQSZACIVSA-N 0 3 313.426 4.129 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000850427956 1048653661 /nfs/dbraw/zinc/65/36/61/1048653661.db2.gz IKPBLEXFZNBUDJ-HUUCEWRRSA-N 0 3 306.409 4.295 20 30 DIEDHN CCc1ccc(CN2CCC(Cc3ccc(C#N)cc3)CC2)o1 ZINC001204393161 1048655365 /nfs/dbraw/zinc/65/53/65/1048655365.db2.gz QSPYZAIZEKAEMO-UHFFFAOYSA-N 0 3 308.425 4.168 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435261 1048655529 /nfs/dbraw/zinc/65/55/29/1048655529.db2.gz KQBDRORIPCPFBO-DNVCBOLYSA-N 0 3 308.425 4.375 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000850438270 1048655653 /nfs/dbraw/zinc/65/56/53/1048655653.db2.gz DDXIXTBMVVGSPF-LSDHHAIUSA-N 0 3 306.409 4.295 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447792 1048660143 /nfs/dbraw/zinc/66/01/43/1048660143.db2.gz JTZJPWNEFHJGSO-OXQOHEQNSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447790 1048660818 /nfs/dbraw/zinc/66/08/18/1048660818.db2.gz JTZJPWNEFHJGSO-JXFKEZNVSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CCC1(NCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC001176431474 1048669898 /nfs/dbraw/zinc/66/98/98/1048669898.db2.gz GAEJDIFFNNRVSD-UHFFFAOYSA-N 0 3 306.793 4.064 20 30 DIEDHN CC(C)c1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000775329822 1048671916 /nfs/dbraw/zinc/67/19/16/1048671916.db2.gz SQWJXDSRPFSGJP-MRXNPFEDSA-N 0 3 308.425 4.391 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000483098976 1048734105 /nfs/dbraw/zinc/73/41/05/1048734105.db2.gz DTQVLPFXJLOSAC-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001176771235 1048789919 /nfs/dbraw/zinc/78/99/19/1048789919.db2.gz IRTXZOWHBASGRP-OAHLLOKOSA-N 0 3 306.837 4.018 20 30 DIEDHN Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)c(C)c1 ZINC001203729488 1048795510 /nfs/dbraw/zinc/79/55/10/1048795510.db2.gz OJDWPODHFMCDCG-UHFFFAOYSA-N 0 3 304.437 4.361 20 30 DIEDHN CCCCCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001190924715 1048798423 /nfs/dbraw/zinc/79/84/23/1048798423.db2.gz MVOCRMROSPANFK-SFHVURJKSA-N 0 3 318.505 4.344 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(C#N)c(F)c1 ZINC000483578164 1048820224 /nfs/dbraw/zinc/82/02/24/1048820224.db2.gz HXFQOSLLYODDAM-HXUWFJFHSA-N 0 3 324.399 4.215 20 30 DIEDHN Cc1ccc(CNCCSCc2ccccc2C#N)c(F)c1 ZINC001177133002 1048834811 /nfs/dbraw/zinc/83/48/11/1048834811.db2.gz OJNNGMWXUSSYHS-UHFFFAOYSA-N 0 3 314.429 4.029 20 30 DIEDHN CCCCCCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC001191070017 1048837172 /nfs/dbraw/zinc/83/71/72/1048837172.db2.gz YMPHUTYNUOFUHN-UHFFFAOYSA-N 0 3 305.466 4.230 20 30 DIEDHN N#Cc1cccc(CNCc2cc3nc(Cl)ccc3s2)c1 ZINC001177217321 1048850348 /nfs/dbraw/zinc/85/03/48/1048850348.db2.gz MRGCIJVFLQJBGC-UHFFFAOYSA-N 0 3 313.813 4.111 20 30 DIEDHN CN(C)[C@H]1CCOc2c(NC=Cc3ccc(C#N)cc3)cccc21 ZINC001203308548 1048865701 /nfs/dbraw/zinc/86/57/01/1048865701.db2.gz UYIQTGIPCWNQJR-RDELFYGPSA-N 0 3 319.408 4.026 20 30 DIEDHN C=C(C)COc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1OC ZINC001203314699 1048868049 /nfs/dbraw/zinc/86/80/49/1048868049.db2.gz XVCABSROKUCLID-JKSUJKDBSA-N 0 3 307.409 4.020 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)c(F)c1 ZINC000853242762 1048892821 /nfs/dbraw/zinc/89/28/21/1048892821.db2.gz RYOFPFHMMBBZAU-UONOGXRCSA-N 0 3 324.399 4.434 20 30 DIEDHN FC(F)(F)[C@H]1CCC[C@@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000853284158 1048895897 /nfs/dbraw/zinc/89/58/97/1048895897.db2.gz RRTZDIFASMUCKX-OCCSQVGLSA-N 0 3 322.334 4.148 20 30 DIEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1c1ccccc1 ZINC001191224076 1048902716 /nfs/dbraw/zinc/90/27/16/1048902716.db2.gz SFWCELNVYCADCV-KXBFYZLASA-N 0 3 308.400 4.323 20 30 DIEDHN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741908 1048903432 /nfs/dbraw/zinc/90/34/32/1048903432.db2.gz ACVUYOPGGXEISC-AWEZNQCLSA-N 0 3 309.369 4.050 20 30 DIEDHN CCCCCCCN(C)Cc1ccc(OC)c(OC)c1OC ZINC001203463372 1048906316 /nfs/dbraw/zinc/90/63/16/1048906316.db2.gz GVFKZABJNYBJRD-UHFFFAOYSA-N 0 3 309.450 4.115 20 30 DIEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ccc(F)cc1C#N ZINC001191269378 1048911226 /nfs/dbraw/zinc/91/12/26/1048911226.db2.gz RNDCOHIAGQORKP-FQEVSTJZSA-N 0 3 310.416 4.459 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC(CCC(C)C)CC1 ZINC001191610392 1048971586 /nfs/dbraw/zinc/97/15/86/1048971586.db2.gz KUEAHQATXDCHNO-UHFFFAOYSA-N 0 3 300.446 4.215 20 30 DIEDHN COc1cccc([C@@H]2CCCCN2Cc2cccc(C#N)c2)c1 ZINC001203762690 1048993556 /nfs/dbraw/zinc/99/35/56/1048993556.db2.gz NPUXLIOSDDJCCS-FQEVSTJZSA-N 0 3 306.409 4.294 20 30 DIEDHN C=CCOc1cccc(CN[C@H]2CCCc3nc(C)sc32)c1 ZINC001178285834 1049011500 /nfs/dbraw/zinc/01/15/00/1049011500.db2.gz ULYYRDNGCKLVQD-INIZCTEOSA-N 0 3 314.454 4.184 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000776800594 1049021026 /nfs/dbraw/zinc/02/10/26/1049021026.db2.gz RPMAQOAVIUNOTG-MRXNPFEDSA-N 0 3 312.363 4.134 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(OC(C)C)cc2)cc1 ZINC000113320092 1049032525 /nfs/dbraw/zinc/03/25/25/1049032525.db2.gz WOZPBRLJYBTDSG-UHFFFAOYSA-N 0 3 323.436 4.166 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccc3ncsc3c2)cc1C#N ZINC000776807788 1049032639 /nfs/dbraw/zinc/03/26/39/1049032639.db2.gz JEYVHDNDTTVPLA-GFCCVEGCSA-N 0 3 323.421 4.027 20 30 DIEDHN Cc1cc(C)cc(C2=CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC001192292264 1049075378 /nfs/dbraw/zinc/07/53/78/1049075378.db2.gz PMJZEEREOVTBEF-UHFFFAOYSA-N 0 3 302.421 4.464 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000113952431 1049078363 /nfs/dbraw/zinc/07/83/63/1049078363.db2.gz NWZGQGUMFOHPAL-KDOFPFPSSA-N 0 3 312.388 4.357 20 30 DIEDHN C#CCN(Cc1ccnc2ccccc12)[C@@H]1CCc2ccccc21 ZINC001204088544 1049081789 /nfs/dbraw/zinc/08/17/89/1049081789.db2.gz OTMCYIRRCMTHBV-JOCHJYFZSA-N 0 3 312.416 4.358 20 30 DIEDHN C=CC[C@H](Cc1ccccc1)NCc1snc(OC)c1Cl ZINC001178939660 1049110895 /nfs/dbraw/zinc/11/08/95/1049110895.db2.gz NJJMMPHJKOALCM-CYBMUJFWSA-N 0 3 322.861 4.082 20 30 DIEDHN N#CCc1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1 ZINC001179028056 1049125656 /nfs/dbraw/zinc/12/56/56/1049125656.db2.gz JMTGZNQOQLNKMQ-UHFFFAOYSA-N 0 3 304.315 4.119 20 30 DIEDHN COc1ccc(F)cc1[C@@H](C)NCCC1(C#N)CCCCC1 ZINC001192663962 1049132663 /nfs/dbraw/zinc/13/26/63/1049132663.db2.gz YFYZYXNZIHPKCD-CQSZACIVSA-N 0 3 304.409 4.349 20 30 DIEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756975 1049138324 /nfs/dbraw/zinc/13/83/24/1049138324.db2.gz KEQZRPKGGSNLII-JKSUJKDBSA-N 0 3 315.457 4.469 20 30 DIEDHN C=CCOc1ccc(CNCc2cc(C)cc(C)c2)cc1OC ZINC001179222001 1049142680 /nfs/dbraw/zinc/14/26/80/1049142680.db2.gz CFCLZRVMWCUHGN-UHFFFAOYSA-N 0 3 311.425 4.167 20 30 DIEDHN COc1ccc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)cc1F ZINC000158463959 1049155071 /nfs/dbraw/zinc/15/50/71/1049155071.db2.gz NHZHZMZCSVABPB-FNMUINPESA-N 0 3 324.399 4.109 20 30 DIEDHN CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000485053035 1049172730 /nfs/dbraw/zinc/17/27/30/1049172730.db2.gz VMNUZMBKDCQZMB-AWEZNQCLSA-N 0 3 312.388 4.289 20 30 DIEDHN C=CCN(Cc1ccc(OCc2ccccc2F)nc1)C(C)C ZINC000775572946 1049181570 /nfs/dbraw/zinc/18/15/70/1049181570.db2.gz VFXWSXGNVXMCPL-UHFFFAOYSA-N 0 3 314.404 4.196 20 30 DIEDHN COc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)ccc1F ZINC001204565010 1049189066 /nfs/dbraw/zinc/18/90/66/1049189066.db2.gz YFHZZMFFIVXOIS-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)c(C)n1C1CCCCC1 ZINC000905080936 1049190213 /nfs/dbraw/zinc/19/02/13/1049190213.db2.gz OMAJDWLOCJYYSF-XGHPXPSOSA-N 0 3 324.428 4.043 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H](c3ccccc3)C2)n1 ZINC001179681647 1049196831 /nfs/dbraw/zinc/19/68/31/1049196831.db2.gz QYUJGHIWPVWCCT-HZPDHXFCSA-N 0 3 311.454 4.221 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCCC[C@H](SC)C1 ZINC001179925820 1049228906 /nfs/dbraw/zinc/22/89/06/1049228906.db2.gz TVOMYJBTBVPJPJ-AWEZNQCLSA-N 0 3 323.889 4.070 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239243 1049230228 /nfs/dbraw/zinc/23/02/28/1049230228.db2.gz QYPDUOCBQNNFBL-MGPUTAFESA-N 0 3 321.424 4.003 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC001204696628 1049230316 /nfs/dbraw/zinc/23/03/16/1049230316.db2.gz CISHWHBFBUVJOB-UHFFFAOYSA-N 0 3 319.452 4.100 20 30 DIEDHN C#CCOc1ccc([C@H](C)NC2(c3ccc(F)cc3)CC2)cc1 ZINC000777009860 1049231789 /nfs/dbraw/zinc/23/17/89/1049231789.db2.gz YIMBOCJVCFVTMP-HNNXBMFYSA-N 0 3 309.384 4.178 20 30 DIEDHN SC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001204738343 1049245729 /nfs/dbraw/zinc/24/57/29/1049245729.db2.gz CFXNTFJHCWGTCX-UHFFFAOYSA-N 0 3 307.846 4.494 20 30 DIEDHN CCCc1cccc(CN(CCOC)Cc2ccc(C#N)cc2)c1 ZINC001204749704 1049251027 /nfs/dbraw/zinc/25/10/27/1049251027.db2.gz HAZCWLNDZNPPFK-UHFFFAOYSA-N 0 3 322.452 4.159 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858484469 1049263969 /nfs/dbraw/zinc/26/39/69/1049263969.db2.gz RZOBQAHDNCTAPO-KKSFZXQISA-N 0 3 320.436 4.286 20 30 DIEDHN C=CC[C@H]1N(Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1(C)C ZINC001193920564 1049283738 /nfs/dbraw/zinc/28/37/38/1049283738.db2.gz OWPBTCMYQYFDLL-MRXNPFEDSA-N 0 3 306.381 4.301 20 30 DIEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001194155212 1049330573 /nfs/dbraw/zinc/33/05/73/1049330573.db2.gz ZRFBQGKDISESRC-KXBFYZLASA-N 0 3 306.409 4.150 20 30 DIEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000860483385 1049391382 /nfs/dbraw/zinc/39/13/82/1049391382.db2.gz QJWWMWWIOHYEDM-XHSDSOJGSA-N 0 3 316.360 4.116 20 30 DIEDHN C#CCOc1ccc([C@H](C)NC2(c3cccc(OC)c3)CC2)cc1 ZINC000777157574 1049430697 /nfs/dbraw/zinc/43/06/97/1049430697.db2.gz UZCGJEHZQDTWDS-INIZCTEOSA-N 0 3 321.420 4.047 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccc(OC)c(OC)c2F)CCCC1(C)C ZINC001181296639 1049459608 /nfs/dbraw/zinc/45/96/08/1049459608.db2.gz BLVXSRACGYAJLX-INIZCTEOSA-N 0 3 321.436 4.410 20 30 DIEDHN CSc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001205450676 1049474809 /nfs/dbraw/zinc/47/48/09/1049474809.db2.gz QFHMIFZFXGJNQO-UHFFFAOYSA-N 0 3 308.450 4.122 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001181409372 1049476745 /nfs/dbraw/zinc/47/67/45/1049476745.db2.gz BYNGPYZSKJYMLL-UHFFFAOYSA-N 0 3 303.409 4.208 20 30 DIEDHN C#Cc1ccc(CN(C)[C@H](COC)c2ccc(Cl)cc2)cc1 ZINC001205608839 1049510077 /nfs/dbraw/zinc/51/00/77/1049510077.db2.gz LDRZULGYSXTNNK-LJQANCHMSA-N 0 3 313.828 4.141 20 30 DIEDHN CCCCCCCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001195350061 1049518965 /nfs/dbraw/zinc/51/89/65/1049518965.db2.gz NXDTXFBDILARLD-IAGOWNOFSA-N 0 3 324.509 4.288 20 30 DIEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773977780 1049571644 /nfs/dbraw/zinc/57/16/44/1049571644.db2.gz YJUWUMNZWSXDCD-SMDDNHRTSA-N 0 3 320.820 4.060 20 30 DIEDHN Cc1ccc(CN2CC[C@](C)(c3cccc(F)c3)C2)cc1C#N ZINC001195851781 1049574781 /nfs/dbraw/zinc/57/47/81/1049574781.db2.gz PCIMDINRTBRTEX-FQEVSTJZSA-N 0 3 308.400 4.169 20 30 DIEDHN C#C[C@H](N[C@@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152112 1049577693 /nfs/dbraw/zinc/57/76/93/1049577693.db2.gz JAZLUZBJFNIUAH-LIRRHRJNSA-N 0 3 313.828 4.331 20 30 DIEDHN C=CC[C@H]1CCCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001195954930 1049599121 /nfs/dbraw/zinc/59/91/21/1049599121.db2.gz MYEQYYWNOSGERR-LRDDRELGSA-N 0 3 314.256 4.315 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)[C@H](C)[C@@H]2C)cc1OC ZINC001182452911 1049658249 /nfs/dbraw/zinc/65/82/49/1049658249.db2.gz QEHRENYFMOQVHZ-IHRRRGAJSA-N 0 3 323.864 4.390 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000774447459 1049665199 /nfs/dbraw/zinc/66/51/99/1049665199.db2.gz HLRRVXUCHMPZOQ-HXUWFJFHSA-N 0 3 309.384 4.079 20 30 DIEDHN COc1ccc(C[C@@H]2CCCCN2CC#Cc2ccccc2)cc1 ZINC001182765161 1049713208 /nfs/dbraw/zinc/71/32/08/1049713208.db2.gz QYWILCYSRSMCRE-NRFANRHFSA-N 0 3 319.448 4.144 20 30 DIEDHN C[C@H]1c2sccc2CCN1CCCOc1ccc(C#N)cc1 ZINC001197431106 1049752760 /nfs/dbraw/zinc/75/27/60/1049752760.db2.gz BVZOZQGRWDCCAO-AWEZNQCLSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@@]1(C#N)CCN(CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001206744261 1049790517 /nfs/dbraw/zinc/79/05/17/1049790517.db2.gz XLCJHIYFCFZFDR-QFIPXVFZSA-N 0 3 318.464 4.324 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000151235932 1049860342 /nfs/dbraw/zinc/86/03/42/1049860342.db2.gz VREMCAXNIBDIRP-OAHLLOKOSA-N 0 3 322.380 4.462 20 30 DIEDHN N#CC1(c2ccccc2)CCN(CCCc2ccccc2F)CC1 ZINC001207490488 1049896924 /nfs/dbraw/zinc/89/69/24/1049896924.db2.gz SBTZSTMWSFPICU-UHFFFAOYSA-N 0 3 322.427 4.316 20 30 DIEDHN C=CCCCN(CC)Cc1c(C(C)C)nc2sc(C)nn12 ZINC001207736091 1049931818 /nfs/dbraw/zinc/93/18/18/1049931818.db2.gz ZLGHFNZIPWAJKJ-UHFFFAOYSA-N 0 3 306.479 4.011 20 30 DIEDHN C=CCCCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC001207899424 1049951404 /nfs/dbraw/zinc/95/14/04/1049951404.db2.gz ZJJBOCBSBFJKIA-HXUWFJFHSA-N 0 3 322.537 4.090 20 30 DIEDHN C[C@H](CN1CCC(C#N)(c2ccccc2F)CC1)c1ccccc1 ZINC001207912983 1049954762 /nfs/dbraw/zinc/95/47/62/1049954762.db2.gz AQHYXOCKCBJONX-QGZVFWFLSA-N 0 3 322.427 4.487 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)sc2C)c1 ZINC000760675540 1049957063 /nfs/dbraw/zinc/95/70/63/1049957063.db2.gz RYWOAXXIDYOJEJ-QGZVFWFLSA-N 0 3 314.454 4.336 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2cc3ccccc3n2C)n1 ZINC000080456846 1049994018 /nfs/dbraw/zinc/99/40/18/1049994018.db2.gz FTEKQDCNPGOQJY-ZDUSSCGKSA-N 0 3 323.421 4.248 20 30 DIEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000588954220 1050016444 /nfs/dbraw/zinc/01/64/44/1050016444.db2.gz BZWDQUZFHJFLOV-PXAZEXFGSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1ccc2c(c1F)CC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000588954225 1050016508 /nfs/dbraw/zinc/01/65/08/1050016508.db2.gz BZWDQUZFHJFLOV-YVEFUNNKSA-N 0 3 310.372 4.044 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000589300387 1050025591 /nfs/dbraw/zinc/02/55/91/1050025591.db2.gz SAUXNLVYVAMDSN-OALUTQOASA-N 0 3 324.468 4.021 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CSCc3ccccc31)CC2 ZINC000589336747 1050027643 /nfs/dbraw/zinc/02/76/43/1050027643.db2.gz HUETYQNAMJJSOJ-RBUKOAKNSA-N 0 3 306.434 4.123 20 30 DIEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343255 1050028754 /nfs/dbraw/zinc/02/87/54/1050028754.db2.gz CSXOPJUYBJVKTD-XOBRGWDASA-N 0 3 313.404 4.445 20 30 DIEDHN C=CCCCCCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001209432060 1050058649 /nfs/dbraw/zinc/05/86/49/1050058649.db2.gz YBEMYXBYAVITAR-UHFFFAOYSA-N 0 3 300.421 4.429 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244532 1050082870 /nfs/dbraw/zinc/08/28/70/1050082870.db2.gz AGMXKAFZVQDIFA-IFXJQAMLSA-N 0 3 322.408 4.147 20 30 DIEDHN C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2ccccc2O1 ZINC000590779130 1050106358 /nfs/dbraw/zinc/10/63/58/1050106358.db2.gz AVZSXFUYTIRZJZ-JSNMRZPZSA-N 0 3 318.420 4.438 20 30 DIEDHN CC(C)(C)c1ccncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591246491 1050132554 /nfs/dbraw/zinc/13/25/54/1050132554.db2.gz VMVMGTSHMZWRQW-FQEVSTJZSA-N 0 3 319.452 4.418 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348839 1050141354 /nfs/dbraw/zinc/14/13/54/1050141354.db2.gz IPLOTMFWGIYBRN-QRWLVFNGSA-N 0 3 305.425 4.298 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2c1cc(F)cc2F ZINC000591348892 1050141862 /nfs/dbraw/zinc/14/18/62/1050141862.db2.gz WJNUCYCFGITWAF-VQTJNVASSA-N 0 3 324.374 4.491 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2c1cc(F)cc2F ZINC000591348893 1050141921 /nfs/dbraw/zinc/14/19/21/1050141921.db2.gz WJNUCYCFGITWAF-WOJBJXKFSA-N 0 3 324.374 4.491 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171038341 1050176208 /nfs/dbraw/zinc/17/62/08/1050176208.db2.gz WCAYORASVAIUPM-SFHVURJKSA-N 0 3 322.839 4.127 20 30 DIEDHN C#CCCOc1ccc(CNCc2coc3ccccc23)cc1 ZINC000734004044 1050212337 /nfs/dbraw/zinc/21/23/37/1050212337.db2.gz JMIURGRQBLCMBA-UHFFFAOYSA-N 0 3 305.377 4.125 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2coc3ccccc23)cc1 ZINC000734004068 1050212725 /nfs/dbraw/zinc/21/27/25/1050212725.db2.gz KSWZHZQBLKKOLV-CQSZACIVSA-N 0 3 306.365 4.013 20 30 DIEDHN N#CC(C(=O)CCCC(F)(F)F)c1ccc2ccccc2n1 ZINC000771258878 1050234324 /nfs/dbraw/zinc/23/43/24/1050234324.db2.gz IZTFPEXENHHPFX-GFCCVEGCSA-N 0 3 306.287 4.144 20 30 DIEDHN N#CCCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000592135835 1050271512 /nfs/dbraw/zinc/27/15/12/1050271512.db2.gz ZMKJXYRJSBWFDM-UHFFFAOYSA-N 0 3 311.454 4.326 20 30 DIEDHN C=CCCCCN(C)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143697528 1050338998 /nfs/dbraw/zinc/33/89/98/1050338998.db2.gz QLBOCTNFUJIHCH-UHFFFAOYSA-N 0 3 319.449 4.217 20 30 DIEDHN C=CC[C@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000735086841 1050345114 /nfs/dbraw/zinc/34/51/14/1050345114.db2.gz STQXTJRZTFFTGV-AWEZNQCLSA-N 0 3 317.864 4.256 20 30 DIEDHN C=CC[C@@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000735087248 1050345609 /nfs/dbraw/zinc/34/56/09/1050345609.db2.gz YCECAOPNQKPUGX-LLVKDONJSA-N 0 3 307.800 4.027 20 30 DIEDHN C=CC[C@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000735087257 1050346343 /nfs/dbraw/zinc/34/63/43/1050346343.db2.gz YCECAOPNQKPUGX-NSHDSACASA-N 0 3 307.800 4.027 20 30 DIEDHN CC(C)CCN(Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735306774 1050369148 /nfs/dbraw/zinc/36/91/48/1050369148.db2.gz UKBFVPYRFOHALA-UHFFFAOYSA-N 0 3 306.837 4.253 20 30 DIEDHN C=C(Cl)CNC1CC(c2cccc(Br)c2)C1 ZINC000167721225 1050414777 /nfs/dbraw/zinc/41/47/77/1050414777.db2.gz NTSJGMMNNROKJW-UHFFFAOYSA-N 0 3 300.627 4.037 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cc(Br)cs1 ZINC000226392997 1050446110 /nfs/dbraw/zinc/44/61/10/1050446110.db2.gz UEDITOABRUURQX-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN CC[C@H](CC#N)NCC/C=C/c1ccc(Br)cc1 ZINC000594009341 1050473813 /nfs/dbraw/zinc/47/38/13/1050473813.db2.gz CVOOGTCLJOMZSS-SJDLMVEWSA-N 0 3 307.235 4.134 20 30 DIEDHN COc1cc(C)cc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594505569 1050520466 /nfs/dbraw/zinc/52/04/66/1050520466.db2.gz UUVCGIFMDWPEST-UHFFFAOYSA-N 0 3 308.425 4.095 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000594501187 1050521687 /nfs/dbraw/zinc/52/16/87/1050521687.db2.gz WIJZGXSLOXPUIN-LJQANCHMSA-N 0 3 308.400 4.404 20 30 DIEDHN COc1cc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)ccc1F ZINC000594519086 1050528467 /nfs/dbraw/zinc/52/84/67/1050528467.db2.gz SUTYQKABNSRGIK-CQSZACIVSA-N 0 3 324.399 4.436 20 30 DIEDHN CCc1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001144318894 1050542103 /nfs/dbraw/zinc/54/21/03/1050542103.db2.gz NYJLGEFMLLDZGQ-UHFFFAOYSA-N 0 3 304.437 4.306 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594917247 1050564104 /nfs/dbraw/zinc/56/41/04/1050564104.db2.gz IFDWHGQRRYXCCR-CQSZACIVSA-N 0 3 324.399 4.240 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594925561 1050565028 /nfs/dbraw/zinc/56/50/28/1050565028.db2.gz NYYMTSCNFWVOAX-UHFFFAOYSA-N 0 3 320.436 4.320 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(Cl)ccc2C)no1 ZINC001211436662 1050566105 /nfs/dbraw/zinc/56/61/05/1050566105.db2.gz SBLGICIVEBAMND-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(F)ccc2Cl)no1 ZINC001211436510 1050567355 /nfs/dbraw/zinc/56/73/55/1050567355.db2.gz OUMHITUNWUEBKT-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN CC(C)Oc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594967813 1050573484 /nfs/dbraw/zinc/57/34/84/1050573484.db2.gz HSZDCBDTWQGUGM-UHFFFAOYSA-N 0 3 308.425 4.370 20 30 DIEDHN CCCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594938536 1050576108 /nfs/dbraw/zinc/57/61/08/1050576108.db2.gz MHEMZJAHDCSKLX-NRFANRHFSA-N 0 3 320.436 4.433 20 30 DIEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594932750 1050576153 /nfs/dbraw/zinc/57/61/53/1050576153.db2.gz SWCLNZTYWJDECH-LJQANCHMSA-N 0 3 318.420 4.027 20 30 DIEDHN Cc1nc2ccc(Nc3ccc(Cl)c(F)c3C#N)cc2[nH]1 ZINC001213076277 1050580897 /nfs/dbraw/zinc/58/08/97/1050580897.db2.gz OONXIXXNJMVELI-UHFFFAOYSA-N 0 3 300.724 4.279 20 30 DIEDHN CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)c(C)c1 ZINC000594967639 1050583816 /nfs/dbraw/zinc/58/38/16/1050583816.db2.gz GFDICHYRORKMBH-UHFFFAOYSA-N 0 3 308.425 4.290 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000787331557 1050587230 /nfs/dbraw/zinc/58/72/30/1050587230.db2.gz KWAXPARGRPIETR-KRWDZBQOSA-N 0 3 312.800 4.003 20 30 DIEDHN COc1cc(CN[C@@H]2CCCc3c(C)cccc32)ccc1C#N ZINC000594999822 1050590800 /nfs/dbraw/zinc/59/08/00/1050590800.db2.gz FLWFGXSEIXCDIG-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)c1ccc(C#N)cc1 ZINC000595008060 1050593063 /nfs/dbraw/zinc/59/30/63/1050593063.db2.gz PBHWPPOHYJKKRT-VXGBXAGGSA-N 0 3 301.340 4.303 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000746681370 1050598872 /nfs/dbraw/zinc/59/88/72/1050598872.db2.gz YLOPPDIJCBNVOI-FOIQADDNSA-N 0 3 324.399 4.311 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043075 1050600449 /nfs/dbraw/zinc/60/04/49/1050600449.db2.gz FWJQIRVVQUDDKZ-ACJLOTCBSA-N 0 3 317.392 4.428 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045559 1050600852 /nfs/dbraw/zinc/60/08/52/1050600852.db2.gz NTGVLBGOICBSBS-SJKOYZFVSA-N 0 3 303.365 4.038 20 30 DIEDHN CC(C)(C)c1cc(Nc2cnc(C#N)c(C(F)(F)F)c2)ccn1 ZINC001213163928 1050605080 /nfs/dbraw/zinc/60/50/80/1050605080.db2.gz CWNULTPGRIKTPY-UHFFFAOYSA-N 0 3 320.318 4.408 20 30 DIEDHN C[C@H](O)[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103953 1050607339 /nfs/dbraw/zinc/60/73/39/1050607339.db2.gz PKUKXRHPJNWSFD-ONGXBYRLSA-N 0 3 320.436 4.037 20 30 DIEDHN Cc1cccnc1[C@H]1CCC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000595090490 1050609812 /nfs/dbraw/zinc/60/98/12/1050609812.db2.gz GFWZSBMFOZVNMU-ZWKOTPCHSA-N 0 3 311.473 4.480 20 30 DIEDHN Cc1cccnc1[C@@H]1CCC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000595090487 1050609885 /nfs/dbraw/zinc/60/98/85/1050609885.db2.gz GFWZSBMFOZVNMU-MSOLQXFVSA-N 0 3 311.473 4.480 20 30 DIEDHN C#Cc1ccc(CN2CC[C@@H](Sc3ccccc3OC)C2)cc1 ZINC001144578502 1050618516 /nfs/dbraw/zinc/61/85/16/1050618516.db2.gz DTXDGOQNSXZJCY-GOSISDBHSA-N 0 3 323.461 4.043 20 30 DIEDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](CC#N)C1 ZINC000595613861 1050657932 /nfs/dbraw/zinc/65/79/32/1050657932.db2.gz IOTULOHZCMCNJL-QWHCGFSZSA-N 0 3 312.335 4.272 20 30 DIEDHN COc1cccc([C@H](C)N[C@H](CCC#N)c2ccccc2)c1O ZINC000846156977 1050674800 /nfs/dbraw/zinc/67/48/00/1050674800.db2.gz QODOQJVQOBEJRS-WMLDXEAASA-N 0 3 310.397 4.096 20 30 DIEDHN C=CCCC[C@H](C)N[C@@H](C)c1nc(Br)ccc1F ZINC000788694010 1050727874 /nfs/dbraw/zinc/72/78/74/1050727874.db2.gz TWTJQTPJQBZYLT-QWRGUYRKSA-N 0 3 315.230 4.379 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980967 1050779520 /nfs/dbraw/zinc/77/95/20/1050779520.db2.gz BYUMLKOGPQITFI-SJCJKPOMSA-N 0 3 311.816 4.335 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980968 1050780694 /nfs/dbraw/zinc/78/06/94/1050780694.db2.gz BYUMLKOGPQITFI-SJKOYZFVSA-N 0 3 311.816 4.335 20 30 DIEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597010182 1050794123 /nfs/dbraw/zinc/79/41/23/1050794123.db2.gz VLRSXHBOGVVJNK-FQEVSTJZSA-N 0 3 317.436 4.282 20 30 DIEDHN C=CCOc1ccc(CNCc2cc(C)c(OC)c(C)c2)cc1 ZINC000796441582 1050817008 /nfs/dbraw/zinc/81/70/08/1050817008.db2.gz JTOPXQAGIGVSGV-UHFFFAOYSA-N 0 3 311.425 4.167 20 30 DIEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450232 1050833869 /nfs/dbraw/zinc/83/38/69/1050833869.db2.gz LCAWYMNWFUHTCF-HZSPNIEDSA-N 0 3 306.837 4.109 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)cc1C#N ZINC000742378979 1050837930 /nfs/dbraw/zinc/83/79/30/1050837930.db2.gz QEOUJYMBTUSHDC-AWEZNQCLSA-N 0 3 312.388 4.174 20 30 DIEDHN C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1cccc(C#N)c1 ZINC000743497406 1051036868 /nfs/dbraw/zinc/03/68/68/1051036868.db2.gz YLQALSPLYZDTFK-CQSZACIVSA-N 0 3 306.409 4.123 20 30 DIEDHN CCc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)s1 ZINC000773085355 1051058281 /nfs/dbraw/zinc/05/82/81/1051058281.db2.gz WROFDCBZNKEZHX-LBPRGKRZSA-N 0 3 300.427 4.042 20 30 DIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc3ccccc3s2)o1 ZINC000744016095 1051093125 /nfs/dbraw/zinc/09/31/25/1051093125.db2.gz JHHYEUPVLAQWCW-NEPJUHHUSA-N 0 3 310.378 4.178 20 30 DIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CCC)cc1 ZINC000744029821 1051093570 /nfs/dbraw/zinc/09/35/70/1051093570.db2.gz WPHCXXVOAFCPTA-YOEHRIQHSA-N 0 3 314.429 4.113 20 30 DIEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000744033131 1051101822 /nfs/dbraw/zinc/10/18/22/1051101822.db2.gz NJLOCAWSOWKLNK-ZQIUZPCESA-N 0 3 314.429 4.284 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1ccco1 ZINC000744118210 1051115218 /nfs/dbraw/zinc/11/52/18/1051115218.db2.gz HSIYHWWLCKFWGS-MWLCHTKSSA-N 0 3 314.341 4.008 20 30 DIEDHN N#CC(C(=O)CCc1ccccc1)c1nccc2ccccc21 ZINC000792105872 1051116830 /nfs/dbraw/zinc/11/68/30/1051116830.db2.gz NVFRKFDRTASBOC-SFHVURJKSA-N 0 3 300.361 4.044 20 30 DIEDHN N#CC(C(=O)CCCc1cccs1)c1nccc2ccccc21 ZINC000792093478 1051118322 /nfs/dbraw/zinc/11/83/22/1051118322.db2.gz JKYVLUBSEPVKDH-KRWDZBQOSA-N 0 3 320.417 4.495 20 30 DIEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc([O-])cc2F)CC1 ZINC001170364625 1051193616 /nfs/dbraw/zinc/19/36/16/1051193616.db2.gz BGRFNOYYKJHGPY-UHFFFAOYSA-N 0 3 324.399 4.025 20 30 DIEDHN N#Cc1ccc(CN2CCCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001171915125 1051238916 /nfs/dbraw/zinc/23/89/16/1051238916.db2.gz BEHFRDCCBXEUMG-UHFFFAOYSA-N 0 3 313.401 4.013 20 30 DIEDHN CCN(CC)Cc1cccc(NCC#Cc2ccccc2)c1F ZINC001170429138 1051277247 /nfs/dbraw/zinc/27/72/47/1051277247.db2.gz IHFBNQQBPXPNLW-UHFFFAOYSA-N 0 3 310.416 4.131 20 30 DIEDHN N#Cc1ccc(Nc2cccc(CN3CCCCC3)c2F)cc1 ZINC001215678210 1051295212 /nfs/dbraw/zinc/29/52/12/1051295212.db2.gz YJGIWVHUIUPRQV-UHFFFAOYSA-N 0 3 309.388 4.427 20 30 DIEDHN CC(C)C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000745946807 1051295974 /nfs/dbraw/zinc/29/59/74/1051295974.db2.gz KMLZZWXCNMTZKK-AWEZNQCLSA-N 0 3 306.837 4.110 20 30 DIEDHN Cc1coc(Nc2ccc(CN3CCCCC3)c(F)c2)c1C#N ZINC001215711101 1051317179 /nfs/dbraw/zinc/31/71/79/1051317179.db2.gz BAFTYFLMGLPCQU-UHFFFAOYSA-N 0 3 313.376 4.328 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)NC1(c2ccc(F)cc2F)CC1 ZINC001172296260 1051349625 /nfs/dbraw/zinc/34/96/25/1051349625.db2.gz GWHQBEBQQMEZAU-ZDUSSCGKSA-N 0 3 312.363 4.046 20 30 DIEDHN CCCCCCC[C@@H](CC)NCc1nc(C(=O)OC)cs1 ZINC001172345795 1051364107 /nfs/dbraw/zinc/36/41/07/1051364107.db2.gz COVMISCPIJIEMJ-CYBMUJFWSA-N 0 3 312.479 4.158 20 30 DIEDHN CCCCCCC[C@@H](CC)N[C@@H]1c2ccccc2CNC1=O ZINC001172350810 1051367924 /nfs/dbraw/zinc/36/79/24/1051367924.db2.gz PWXIFNRUMAQJKH-SJLPKXTDSA-N 0 3 302.462 4.086 20 30 DIEDHN CCO[C@H](CC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])C(C)C ZINC000746393362 1051395939 /nfs/dbraw/zinc/39/59/39/1051395939.db2.gz KCMDZIHILPAUNK-YFQSIASUSA-N 0 3 320.477 4.109 20 30 DIEDHN CCCCCC[C@H](CCCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172512266 1051428992 /nfs/dbraw/zinc/42/89/92/1051428992.db2.gz CBWQDMPBVOFDCV-JYJNAYRXSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCC[C@H](CCCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172511801 1051428328 /nfs/dbraw/zinc/42/83/28/1051428328.db2.gz ADIPDWBMEFOXTE-HOTGVXAUSA-N 0 3 300.487 4.025 20 30 DIEDHN N=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001172543376 1051454996 /nfs/dbraw/zinc/45/49/96/1051454996.db2.gz PNZPOWUAHVITER-GDBMZVCRSA-N 0 3 313.832 4.167 20 30 DIEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001168871555 1051455966 /nfs/dbraw/zinc/45/59/66/1051455966.db2.gz BMWPDENIPUROSA-FQEVSTJZSA-N 0 3 322.452 4.139 20 30 DIEDHN CC[C@H](CC#N)N[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578799 1051462461 /nfs/dbraw/zinc/46/24/61/1051462461.db2.gz ROZUNVKUXZSURA-ZYHUDNBSSA-N 0 3 300.780 4.221 20 30 DIEDHN C[C@@H](Cc1ccc(F)cc1Cl)N1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172870482 1051555678 /nfs/dbraw/zinc/55/56/78/1051555678.db2.gz ZGWQNEKIXSVKQB-GVAFMPQTSA-N 0 3 306.812 4.177 20 30 DIEDHN C#CCCCN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000766728508 1051633448 /nfs/dbraw/zinc/63/34/48/1051633448.db2.gz LQIGSFHJHYDVGD-IBGZPJMESA-N 0 3 313.828 4.441 20 30 DIEDHN CCCCCCCC[C@H](CCC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001173309758 1051681534 /nfs/dbraw/zinc/68/15/34/1051681534.db2.gz KWJJZLUALWRYIN-DLBZAZTESA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173310771 1051683967 /nfs/dbraw/zinc/68/39/67/1051683967.db2.gz YUVGCSSUINZVKG-IAGOWNOFSA-N 0 3 309.498 4.007 20 30 DIEDHN C=CCOC1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC001173311503 1051684398 /nfs/dbraw/zinc/68/43/98/1051684398.db2.gz LAPVQUMASAOULJ-UHFFFAOYSA-N 0 3 315.791 4.222 20 30 DIEDHN C=CCOC1CCC(N2CCc3c(Cl)cccc3C2)CC1 ZINC001173326776 1051695648 /nfs/dbraw/zinc/69/56/48/1051695648.db2.gz QGZSHDIXRQXGPD-UHFFFAOYSA-N 0 3 305.849 4.212 20 30 DIEDHN CN(Cc1ccccc1Br)C1CCC(CC#N)CC1 ZINC001173331040 1051697814 /nfs/dbraw/zinc/69/78/14/1051697814.db2.gz KLZDMIHRYFDZJG-UHFFFAOYSA-N 0 3 321.262 4.353 20 30 DIEDHN C=C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000805963101 1051707881 /nfs/dbraw/zinc/70/78/81/1051707881.db2.gz QDQQLNMNKQQQHE-SFHVURJKSA-N 0 3 315.457 4.043 20 30 DIEDHN CC1(C#N)CCC(N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173592205 1051755331 /nfs/dbraw/zinc/75/53/31/1051755331.db2.gz KCLIWJOJIUDMQG-CKHPTIKVSA-N 0 3 319.452 4.366 20 30 DIEDHN CCc1nc2ccccc2n1N=C/C=C\c1ccccc1OC ZINC000767374135 1051798707 /nfs/dbraw/zinc/79/87/07/1051798707.db2.gz QYTACYPFLZBDIU-GSOGIWNDSA-N 0 3 305.381 4.155 20 30 DIEDHN COc1ccc(CN(C)C/C(C)=C/c2ccccc2)cc1C#N ZINC000494234863 1051857536 /nfs/dbraw/zinc/85/75/36/1051857536.db2.gz RXFYCIKFQLIPEH-LFIBNONCSA-N 0 3 306.409 4.102 20 30 DIEDHN CCOc1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000768162314 1051890659 /nfs/dbraw/zinc/89/06/59/1051890659.db2.gz AGKPNSXZMVPPTJ-INIZCTEOSA-N 0 3 324.424 4.008 20 30 DIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000176535762 1051920208 /nfs/dbraw/zinc/92/02/08/1051920208.db2.gz MBKQDTDQRVBIMO-YOEHRIQHSA-N 0 3 312.413 4.204 20 30 DIEDHN CCOc1ccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000768513897 1051935495 /nfs/dbraw/zinc/93/54/95/1051935495.db2.gz REKHOHLNQFAWEK-OAHLLOKOSA-N 0 3 324.424 4.246 20 30 DIEDHN CCOc1ccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000768513897 1051935508 /nfs/dbraw/zinc/93/55/08/1051935508.db2.gz REKHOHLNQFAWEK-OAHLLOKOSA-N 0 3 324.424 4.246 20 30 DIEDHN C=CCOc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000191664482 1051982003 /nfs/dbraw/zinc/98/20/03/1051982003.db2.gz PJVUFHVABIGQDD-IBGZPJMESA-N 0 3 309.409 4.124 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC001218962119 1052263397 /nfs/dbraw/zinc/26/33/97/1052263397.db2.gz LZNVCJJTTKXULR-HNNXBMFYSA-N 0 3 318.461 4.092 20 30 DIEDHN CCCCCCC[C@@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027930 1052269685 /nfs/dbraw/zinc/26/96/85/1052269685.db2.gz IONCGQSNKRURHN-OAHLLOKOSA-N 0 3 318.461 4.104 20 30 DIEDHN C=CCc1cc(C[N@@H+](CC)C2CCCCC2)c([O-])c(OC)c1 ZINC000915793466 1052478957 /nfs/dbraw/zinc/47/89/57/1052478957.db2.gz QHMFEVJDDNUVNX-UHFFFAOYSA-N 0 3 303.446 4.284 20 30 DIEDHN C=CCc1cc(C[N@H+](CC)C2CCCCC2)c([O-])c(OC)c1 ZINC000915793466 1052478962 /nfs/dbraw/zinc/47/89/62/1052478962.db2.gz QHMFEVJDDNUVNX-UHFFFAOYSA-N 0 3 303.446 4.284 20 30 DIEDHN C=C[C@H](O[C@@H]1CCN([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311172 1052586820 /nfs/dbraw/zinc/58/68/20/1052586820.db2.gz XXNFRWAPZZSINR-POAQFYNOSA-N 0 3 308.425 4.161 20 30 DIEDHN C=C[C@H](O[C@@H]1CCN([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311170 1052587376 /nfs/dbraw/zinc/58/73/76/1052587376.db2.gz XXNFRWAPZZSINR-HQRMLTQVSA-N 0 3 308.425 4.161 20 30 DIEDHN CCN1CCC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224090547 1052666866 /nfs/dbraw/zinc/66/68/66/1052666866.db2.gz JEJTYFNHYRUICY-UOFXHNCJSA-N 0 3 308.425 4.266 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000916911637 1052667261 /nfs/dbraw/zinc/66/72/61/1052667261.db2.gz CSJJNDZWRDSYDC-KRWDZBQOSA-N 0 3 314.429 4.257 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000916946885 1052670287 /nfs/dbraw/zinc/67/02/87/1052670287.db2.gz AUDVMXDBYIGQIB-RHSMWYFYSA-N 0 3 314.429 4.428 20 30 DIEDHN CC(C)SCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000917046186 1052682465 /nfs/dbraw/zinc/68/24/65/1052682465.db2.gz HCSGCKBQZMYRQQ-JTQLQIEISA-N 0 3 324.858 4.268 20 30 DIEDHN C=CCN(Cn1c2ccccc2nc1SC(F)F)C(C)C ZINC000917481408 1052729083 /nfs/dbraw/zinc/72/90/83/1052729083.db2.gz IWNSCDAEQIXEFR-UHFFFAOYSA-N 0 3 311.401 4.205 20 30 DIEDHN C=C[C@H](CC)OC[C@@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001225152600 1052750484 /nfs/dbraw/zinc/75/04/84/1052750484.db2.gz WXCLQBUCYNFNHF-UYAOXDASSA-N 0 3 317.473 4.037 20 30 DIEDHN CCCCS[C@@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000918482881 1052800711 /nfs/dbraw/zinc/80/07/11/1052800711.db2.gz FTXQWXJTNQWILW-NWDGAFQWSA-N 0 3 318.467 4.394 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000037488220 1052818986 /nfs/dbraw/zinc/81/89/86/1052818986.db2.gz UIPWHRKPVCZEDU-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCCCCC1 ZINC000175083516 1052980189 /nfs/dbraw/zinc/98/01/89/1052980189.db2.gz QFZHTUMGZUXGGM-HNNXBMFYSA-N 0 3 309.413 4.110 20 30 DIEDHN CC(C)(NCc1cccc(OCCCC#N)c1)c1cccs1 ZINC000609741581 1052990714 /nfs/dbraw/zinc/99/07/14/1052990714.db2.gz SEUDXMRCKYIPSB-UHFFFAOYSA-N 0 3 314.454 4.456 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCS[C@H](c2ccccc2)C1 ZINC000609823461 1052994478 /nfs/dbraw/zinc/99/44/78/1052994478.db2.gz HLCVLTQAEIFEJM-KXBFYZLASA-N 0 3 308.450 4.409 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc(C#N)ccc1F ZINC000609916456 1052999214 /nfs/dbraw/zinc/99/92/14/1052999214.db2.gz PWRUMFLNMVLPMM-CZUORRHYSA-N 0 3 312.363 4.214 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000615440000 1053017185 /nfs/dbraw/zinc/01/71/85/1053017185.db2.gz AQZQGQAQMNRYJK-OXJNMPFZSA-N 0 3 306.409 4.083 20 30 DIEDHN N#Cc1ccc(CNCC2(Sc3ccccc3)CCCC2)o1 ZINC000237841777 1053031727 /nfs/dbraw/zinc/03/17/27/1053031727.db2.gz DYNVNSYLAVVRSL-UHFFFAOYSA-N 0 3 312.438 4.346 20 30 DIEDHN CCC[C@H](NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000187776230 1053054361 /nfs/dbraw/zinc/05/43/61/1053054361.db2.gz IFGDFUZUNRRJPR-KRWDZBQOSA-N 0 3 300.427 4.281 20 30 DIEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000180739355 1053084198 /nfs/dbraw/zinc/08/41/98/1053084198.db2.gz SQMOZPYHQVBUBK-CRAIPNDOSA-N 0 3 324.424 4.041 20 30 DIEDHN N#CC1(c2ccccc2)CCN(Cc2cccc3occc32)CC1 ZINC001236735370 1053229491 /nfs/dbraw/zinc/22/94/91/1053229491.db2.gz PMJAGHVFKWQIOG-UHFFFAOYSA-N 0 3 316.404 4.490 20 30 DIEDHN C=CCOc1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 ZINC001319811487 1053275946 /nfs/dbraw/zinc/27/59/46/1053275946.db2.gz ZSSVQNFEYBFFMZ-UHFFFAOYSA-N 0 3 322.452 4.328 20 30 DIEDHN CCN(Cc1ccc(F)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001319800479 1053276329 /nfs/dbraw/zinc/27/63/29/1053276329.db2.gz HKVRBFYKAMBBRL-CQSZACIVSA-N 0 3 312.388 4.289 20 30 DIEDHN C=C[C@H](C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319838859 1053280533 /nfs/dbraw/zinc/28/05/33/1053280533.db2.gz SITRTNDMXQVJJN-JTQLQIEISA-N 0 3 306.749 4.172 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2cccc(SC(F)(F)F)c2)C1 ZINC001320040144 1053297936 /nfs/dbraw/zinc/29/79/36/1053297936.db2.gz VLPKKTJMQKYGFS-CYBMUJFWSA-N 0 3 317.376 4.075 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001320038924 1053298554 /nfs/dbraw/zinc/29/85/54/1053298554.db2.gz GAYXDUNGWKZNQM-OAQYLSRUSA-N 0 3 323.436 4.043 20 30 DIEDHN CCCCCCCOc1ccc(CN2CCC(CO)CC2)cc1 ZINC000100019725 1053299804 /nfs/dbraw/zinc/29/98/04/1053299804.db2.gz PKXMACWFIACNBZ-UHFFFAOYSA-N 0 3 319.489 4.240 20 30 DIEDHN C=C[C@H](COC)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306059 1053323722 /nfs/dbraw/zinc/32/37/22/1053323722.db2.gz LRUJHOGOFCLBKG-DOMZBBRYSA-N 0 3 313.413 4.169 20 30 DIEDHN C[C@@H](NCc1cccc(C(F)F)c1)c1ccc(C#N)c(F)c1 ZINC001320688405 1053356960 /nfs/dbraw/zinc/35/69/60/1053356960.db2.gz GHDNAVRWXHMGFV-LLVKDONJSA-N 0 3 304.315 4.486 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OCC2CC2)cc1 ZINC000618741672 1053357854 /nfs/dbraw/zinc/35/78/54/1053357854.db2.gz KFHVFIXZRKNFNS-OAQYLSRUSA-N 0 3 318.420 4.124 20 30 DIEDHN CCCOc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741309 1053358402 /nfs/dbraw/zinc/35/84/02/1053358402.db2.gz DTQROMPPPRUXPI-HXUWFJFHSA-N 0 3 306.409 4.124 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2cc(Cl)ccc21 ZINC000618802386 1053366223 /nfs/dbraw/zinc/36/62/23/1053366223.db2.gz JHQXHYFDDBOZDD-OALUTQOASA-N 0 3 308.812 4.476 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccc(Cl)cc21 ZINC000618806142 1053369730 /nfs/dbraw/zinc/36/97/30/1053369730.db2.gz PPOBNGFWRYYIHJ-OALUTQOASA-N 0 3 308.812 4.476 20 30 DIEDHN CCc1nc(C)c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806340 1053370042 /nfs/dbraw/zinc/37/00/42/1053370042.db2.gz QSRYJLZQQUGOGK-BDJLRTHQSA-N 0 3 311.454 4.224 20 30 DIEDHN CC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805717 1053370196 /nfs/dbraw/zinc/37/01/96/1053370196.db2.gz PAJGGYSVRIQMKS-MOPGFXCFSA-N 0 3 321.380 4.195 20 30 DIEDHN COc1cc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805630 1053370864 /nfs/dbraw/zinc/37/08/64/1053370864.db2.gz JAFCXQCDTVGBRQ-KZULUSFZSA-N 0 3 310.372 4.044 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618805988 1053372070 /nfs/dbraw/zinc/37/20/70/1053372070.db2.gz LNESQDKWDDVCKA-YJYMSZOUSA-N 0 3 321.380 4.113 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2c1cccc2Cl ZINC000618807227 1053372219 /nfs/dbraw/zinc/37/22/19/1053372219.db2.gz WHAXZHIUVHSNIU-RTBURBONSA-N 0 3 308.812 4.476 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(Cl)cc21 ZINC000618806144 1053372499 /nfs/dbraw/zinc/37/24/99/1053372499.db2.gz PPOBNGFWRYYIHJ-RBUKOAKNSA-N 0 3 308.812 4.476 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccccc1C(F)(F)F ZINC000618831262 1053377958 /nfs/dbraw/zinc/37/79/58/1053377958.db2.gz DECDXPOAFUJCPE-KRWDZBQOSA-N 0 3 316.326 4.354 20 30 DIEDHN C=CCOc1ccccc1[C@@H](C)Oc1ccccc1CN(C)C ZINC001229702942 1053388373 /nfs/dbraw/zinc/38/83/73/1053388373.db2.gz WSEXDNMKFVENLD-MRXNPFEDSA-N 0 3 311.425 4.453 20 30 DIEDHN C=CCCCCCN(C)Cc1cnc(-c2ccccn2)s1 ZINC000093498090 1053417721 /nfs/dbraw/zinc/41/77/21/1053417721.db2.gz OGYOFNKAFDUMDG-UHFFFAOYSA-N 0 3 301.459 4.383 20 30 DIEDHN C=CCOc1cccc(CNCc2cccc(C(F)F)c2)c1 ZINC001321634075 1053425806 /nfs/dbraw/zinc/42/58/06/1053425806.db2.gz SFWUQWFUABNWIZ-UHFFFAOYSA-N 0 3 303.352 4.479 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321896091 1053440707 /nfs/dbraw/zinc/44/07/07/1053440707.db2.gz RICFROJCJWBZDW-LSDHHAIUSA-N 0 3 318.848 4.254 20 30 DIEDHN CC(C)(CCC#N)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000093838560 1053457526 /nfs/dbraw/zinc/45/75/26/1053457526.db2.gz KWBOJNYMHBMRFL-AWEZNQCLSA-N 0 3 306.837 4.123 20 30 DIEDHN CCc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182771356 1053507774 /nfs/dbraw/zinc/50/77/74/1053507774.db2.gz RZGDYEYFNWXQHS-UHFFFAOYSA-N 0 3 319.452 4.197 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000619754904 1053547329 /nfs/dbraw/zinc/54/73/29/1053547329.db2.gz OHWHJJXFKZKSGC-GFCCVEGCSA-N 0 3 312.800 4.093 20 30 DIEDHN N#Cc1ccc(CNCc2cccc3cccnc32)cc1Cl ZINC000619748681 1053553783 /nfs/dbraw/zinc/55/37/83/1053553783.db2.gz LKAPNQULSIVSBD-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN N#Cc1ccc(CNCc2cccc3cnccc32)cc1Cl ZINC000619748336 1053554458 /nfs/dbraw/zinc/55/44/58/1053554458.db2.gz AVBGMWRRBRFSAX-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n[nH]1 ZINC001325204657 1053706060 /nfs/dbraw/zinc/70/60/60/1053706060.db2.gz VVONUSLXBXSIQG-HNNXBMFYSA-N 0 3 316.408 4.108 20 30 DIEDHN C=CCN(CC=C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231469320 1053757381 /nfs/dbraw/zinc/75/73/81/1053757381.db2.gz ZUYKVJZKCNWPKG-UHFFFAOYSA-N 0 3 309.409 4.145 20 30 DIEDHN C=CC[NH+](CC=C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231469320 1053757394 /nfs/dbraw/zinc/75/73/94/1053757394.db2.gz ZUYKVJZKCNWPKG-UHFFFAOYSA-N 0 3 309.409 4.145 20 30 DIEDHN C#Cc1cccc(CN2CCC(Oc3ccccc3C)CC2)c1 ZINC001231656522 1053823105 /nfs/dbraw/zinc/82/31/05/1053823105.db2.gz NLMLZPJBXHUYNI-UHFFFAOYSA-N 0 3 305.421 4.020 20 30 DIEDHN C=CCc1cc(CN(C)[C@@H](C)c2cccs2)cc(OC)c1O ZINC000157817268 1053872197 /nfs/dbraw/zinc/87/21/97/1053872197.db2.gz GVHSHWARCFCUGZ-ZDUSSCGKSA-N 0 3 317.454 4.384 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cccc2c1OCCO2 ZINC001231885809 1053906262 /nfs/dbraw/zinc/90/62/62/1053906262.db2.gz YVGRJQHLPVWDEL-UHFFFAOYSA-N 0 3 309.409 4.036 20 30 DIEDHN CCCCCCCN(CC)Cc1cn(C)nc1C(F)(F)F ZINC001232086860 1053958455 /nfs/dbraw/zinc/95/84/55/1053958455.db2.gz JLUPJKNWKGJYJC-UHFFFAOYSA-N 0 3 305.388 4.231 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(NC(C)=O)cc1C ZINC001232187671 1053982080 /nfs/dbraw/zinc/98/20/80/1053982080.db2.gz PYWFKAXOVXGVOV-UHFFFAOYSA-N 0 3 308.425 4.142 20 30 DIEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1cc2cnccc2o1 ZINC001329754752 1054006844 /nfs/dbraw/zinc/00/68/44/1054006844.db2.gz OJCFABIVGNKPCZ-FNMUINPESA-N 0 3 317.392 4.102 20 30 DIEDHN CC[C@H](N[C@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984952 1054103667 /nfs/dbraw/zinc/10/36/67/1054103667.db2.gz TYAGBMFGSCKHLO-OALUTQOASA-N 0 3 322.456 4.454 20 30 DIEDHN CC[C@H](N[C@@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984953 1054104918 /nfs/dbraw/zinc/10/49/18/1054104918.db2.gz TYAGBMFGSCKHLO-RBUKOAKNSA-N 0 3 322.456 4.454 20 30 DIEDHN N#Cc1ccc(CN2CCC(n3ccc4ccccc43)CC2)s1 ZINC001232846892 1054129681 /nfs/dbraw/zinc/12/96/81/1054129681.db2.gz MFYBDNODCZENSX-UHFFFAOYSA-N 0 3 321.449 4.412 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCc4nc(Cl)ccc43)CCC2)cc1 ZINC000848566618 1054153104 /nfs/dbraw/zinc/15/31/04/1054153104.db2.gz CIOUUKBSRJOOJN-KRWDZBQOSA-N 0 3 323.827 4.263 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCc4nc(Cl)ccc43)CCC2)cc1 ZINC000848566619 1054153200 /nfs/dbraw/zinc/15/32/00/1054153200.db2.gz CIOUUKBSRJOOJN-QGZVFWFLSA-N 0 3 323.827 4.263 20 30 DIEDHN C=CCc1ccc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)cc1 ZINC001233597542 1054304761 /nfs/dbraw/zinc/30/47/61/1054304761.db2.gz NPECZOMIVAZMNU-QFBILLFUSA-N 0 3 308.425 4.024 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000185180456 1054441280 /nfs/dbraw/zinc/44/12/80/1054441280.db2.gz FOXABGZSCQCSRM-ZDUSSCGKSA-N 0 3 316.351 4.205 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000185180472 1054441457 /nfs/dbraw/zinc/44/14/57/1054441457.db2.gz FOXABGZSCQCSRM-CYBMUJFWSA-N 0 3 316.351 4.205 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001443333926 1054446436 /nfs/dbraw/zinc/44/64/36/1054446436.db2.gz IFOPTRSISCVQJD-MJGOQNOKSA-N 0 3 322.537 4.316 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC001344322727 1054465755 /nfs/dbraw/zinc/46/57/55/1054465755.db2.gz WSCXAIUBROZHNT-BFYDXBDKSA-N 0 3 321.424 4.069 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C1=C(c2ccccc2)CCCC1 ZINC001344874716 1054482064 /nfs/dbraw/zinc/48/20/64/1054482064.db2.gz FWTFBKMFIIDTEC-GOSISDBHSA-N 0 3 319.408 4.107 20 30 DIEDHN CC1(C)CCCC[C@@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345621274 1054504548 /nfs/dbraw/zinc/50/45/48/1054504548.db2.gz GWMOSGGGMRRZHA-YPMHNXCESA-N 0 3 306.356 4.143 20 30 DIEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC001346097231 1054527790 /nfs/dbraw/zinc/52/77/90/1054527790.db2.gz ZVAVOYXDKWZBPF-CYBMUJFWSA-N 0 3 321.852 4.246 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2cccnc2)cc1 ZINC001235122061 1054662175 /nfs/dbraw/zinc/66/21/75/1054662175.db2.gz PSSWPEBAMFCKHY-NNZMDNLPSA-N 0 3 319.408 4.140 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001450808036 1054662252 /nfs/dbraw/zinc/66/22/52/1054662252.db2.gz XXULRAPCOVVECB-PKOBYXMFSA-N 0 3 316.489 4.126 20 30 DIEDHN C=CCC[C@H](NCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000180038996 1054729269 /nfs/dbraw/zinc/72/92/69/1054729269.db2.gz OLPOKSPBZUERHC-IBGZPJMESA-N 0 3 306.409 4.364 20 30 DIEDHN N#Cc1cc(F)c(CN2CCC[C@@H]2C2CCCCC2)c(F)c1 ZINC001235665942 1054765648 /nfs/dbraw/zinc/76/56/48/1054765648.db2.gz ZOZYSEIXXOYOGU-GOSISDBHSA-N 0 3 304.384 4.381 20 30 DIEDHN C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235685171 1054777560 /nfs/dbraw/zinc/77/75/60/1054777560.db2.gz MCUMAALXSJMHQN-UHFFFAOYSA-N 0 3 308.425 4.193 20 30 DIEDHN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235685171 1054777574 /nfs/dbraw/zinc/77/75/74/1054777574.db2.gz MCUMAALXSJMHQN-UHFFFAOYSA-N 0 3 308.425 4.193 20 30 DIEDHN CCCCCCCN(CC)Cc1ccc(C(=O)OCC)cn1 ZINC001235869902 1054828717 /nfs/dbraw/zinc/82/87/17/1054828717.db2.gz OWYQDIHKDQRSOP-UHFFFAOYSA-N 0 3 306.450 4.051 20 30 DIEDHN Cc1nc(-c2cccc(CN3CCCCC3)c2F)ccc1C#N ZINC001236004640 1054891940 /nfs/dbraw/zinc/89/19/40/1054891940.db2.gz LSMZDPQUTDQQPI-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181862745 1054943693 /nfs/dbraw/zinc/94/36/93/1054943693.db2.gz HEKROJGQSICWIW-QGZVFWFLSA-N 0 3 322.427 4.128 20 30 DIEDHN Cc1cc(C#N)c(-c2ccc(CN3CCCCC3)c(F)c2)nc1C ZINC001236230887 1055021771 /nfs/dbraw/zinc/02/17/71/1055021771.db2.gz FUWQFHDGJCSVJV-UHFFFAOYSA-N 0 3 323.415 4.362 20 30 DIEDHN Cc1ccnc(C#N)c1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236257361 1055039654 /nfs/dbraw/zinc/03/96/54/1055039654.db2.gz CCDDXEGTMQNIQC-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN CC[NH+](CC)Cc1ccc(F)c(-c2cccc(/C=N/[O-])c2)c1 ZINC001236326386 1055058732 /nfs/dbraw/zinc/05/87/32/1055058732.db2.gz UOWDBGPHAKKQIL-UDWIEESQSA-N 0 3 300.377 4.143 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000185574582 1055093687 /nfs/dbraw/zinc/09/36/87/1055093687.db2.gz VEPNCZZEBXKNDG-IRXDYDNUSA-N 0 3 300.446 4.102 20 30 DIEDHN CCN(CC)Cc1cc(-c2cc(C#N)ccc2OC)ccc1F ZINC001236545785 1055174167 /nfs/dbraw/zinc/17/41/67/1055174167.db2.gz PHLWXTWEIGARHN-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN COc1ccc(C#N)cc1-c1ccc(F)c(CN2CCCCC2)c1 ZINC001236545561 1055174676 /nfs/dbraw/zinc/17/46/76/1055174676.db2.gz KXYVORNQVZNYHT-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN COc1ccc2sc(CN3CCC[C@H](CC#N)C3)cc2c1 ZINC001236661091 1055217009 /nfs/dbraw/zinc/21/70/09/1055217009.db2.gz GTHOKZUPVMAAJO-CYBMUJFWSA-N 0 3 300.427 4.036 20 30 DIEDHN COc1ccc2sc(CN3CCC[C@@H](CC#N)C3)cc2c1 ZINC001236661096 1055217066 /nfs/dbraw/zinc/21/70/66/1055217066.db2.gz GTHOKZUPVMAAJO-ZDUSSCGKSA-N 0 3 300.427 4.036 20 30 DIEDHN COc1ccc2sc(CN3CCC[C@@H](C#N)CC3)cc2c1 ZINC001236662673 1055217437 /nfs/dbraw/zinc/21/74/37/1055217437.db2.gz PEAGBWQODDICDC-CYBMUJFWSA-N 0 3 300.427 4.036 20 30 DIEDHN COc1ccc2sc(CN3CCC[C@H](C#N)CC3)cc2c1 ZINC001236662676 1055217611 /nfs/dbraw/zinc/21/76/11/1055217611.db2.gz PEAGBWQODDICDC-ZDUSSCGKSA-N 0 3 300.427 4.036 20 30 DIEDHN CCc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC001236793600 1055260405 /nfs/dbraw/zinc/26/04/05/1055260405.db2.gz ZINMQBBRIWQHAW-UHFFFAOYSA-N 0 3 320.436 4.206 20 30 DIEDHN CCc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c([O-])c1 ZINC001236794443 1055261603 /nfs/dbraw/zinc/26/16/03/1055261603.db2.gz MXQMAUXVFZHFGF-UHFFFAOYSA-N 0 3 320.436 4.206 20 30 DIEDHN Cc1cccc(-c2ccc(CN3CCC(CC#N)CC3)cn2)c1C ZINC001236991251 1055329571 /nfs/dbraw/zinc/32/95/71/1055329571.db2.gz AEKZSWRKDMQEKI-UHFFFAOYSA-N 0 3 319.452 4.491 20 30 DIEDHN SC1CCN(Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001237018127 1055341043 /nfs/dbraw/zinc/34/10/43/1055341043.db2.gz PJCLHBLKYJBAMP-UHFFFAOYSA-N 0 3 318.873 4.296 20 30 DIEDHN CCOCc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC000921524923 1055408106 /nfs/dbraw/zinc/40/81/06/1055408106.db2.gz LGQJUAJDPKYRHG-UHFFFAOYSA-N 0 3 308.425 4.001 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2nccc(Cl)c2c1 ZINC001237274813 1055412758 /nfs/dbraw/zinc/41/27/58/1055412758.db2.gz LIIGVFHKQUNTAS-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN Cn1cc(CN2CC[C@H]3CCCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237469872 1055457733 /nfs/dbraw/zinc/45/77/33/1055457733.db2.gz DUXBSPPCZXZSPF-SJORKVTESA-N 0 3 307.441 4.062 20 30 DIEDHN C#CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237649300 1055492843 /nfs/dbraw/zinc/49/28/43/1055492843.db2.gz JZDCAVNWWGHBKJ-UHFFFAOYSA-N 0 3 309.384 4.044 20 30 DIEDHN C=CC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C(C)(C)C ZINC001237684195 1055502392 /nfs/dbraw/zinc/50/23/92/1055502392.db2.gz HVPVHPJAHRWGNH-UHFFFAOYSA-N 0 3 312.251 4.250 20 30 DIEDHN C=CC[N@H+](Cc1cc(Br)c(C)cc1[O-])C(C)(C)C ZINC001237684195 1055502406 /nfs/dbraw/zinc/50/24/06/1055502406.db2.gz HVPVHPJAHRWGNH-UHFFFAOYSA-N 0 3 312.251 4.250 20 30 DIEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)ccc1OC(C)C ZINC001237730180 1055515721 /nfs/dbraw/zinc/51/57/21/1055515721.db2.gz GWPJWUQNPTUTEA-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN COc1ccc([C@H](C)N(C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237751331 1055523162 /nfs/dbraw/zinc/52/31/62/1055523162.db2.gz IOUVWQHIWMAYTF-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN CCN(Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751892 1055523224 /nfs/dbraw/zinc/52/32/24/1055523224.db2.gz AEMFIDGPWGWODK-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(F)c(Cl)c2)cc1 ZINC000765625956 1055524864 /nfs/dbraw/zinc/52/48/64/1055524864.db2.gz LUMHKGRWVKQIMF-CYBMUJFWSA-N 0 3 317.791 4.342 20 30 DIEDHN C=CCCn1cc(CNC(C)(C)CC2CCCCCC2)nn1 ZINC001620904009 1055529445 /nfs/dbraw/zinc/52/94/45/1055529445.db2.gz PKZVZLCQNQZSAP-UHFFFAOYSA-N 0 3 304.482 4.083 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CCC)c2ccccn2)cc1 ZINC000765735854 1055579561 /nfs/dbraw/zinc/57/95/61/1055579561.db2.gz MDXLUPRQNKMDME-UZLBHIALSA-N 0 3 308.425 4.286 20 30 DIEDHN C=CCN(Cc1n[nH]c2cc(Cl)ccc21)Cc1ccccc1 ZINC001238002806 1055580878 /nfs/dbraw/zinc/58/08/78/1055580878.db2.gz FASMOLLYVCENOP-UHFFFAOYSA-N 0 3 311.816 4.405 20 30 DIEDHN Cc1ccc2c(c1)[C@@H](NCc1cc(C#N)ccc1N(C)C)CCC2 ZINC001620957186 1055581601 /nfs/dbraw/zinc/58/16/01/1055581601.db2.gz YLYIMBHQQKFGHP-FQEVSTJZSA-N 0 3 319.452 4.100 20 30 DIEDHN N#Cc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)ccc1Cl ZINC001238191694 1055617018 /nfs/dbraw/zinc/61/70/18/1055617018.db2.gz PGCCIVDPYLBPAR-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN CN(Cc1ccc(Cl)c(C#N)c1)Cc1cccc2cccnc21 ZINC001238193974 1055617691 /nfs/dbraw/zinc/61/76/91/1055617691.db2.gz IISKYJNDUPMQSO-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN COc1cc(CN2CCCC[C@@H]2c2ccccc2)ccc1C#N ZINC001238409624 1055653438 /nfs/dbraw/zinc/65/34/38/1055653438.db2.gz IUWIBPQUUDCVAG-LJQANCHMSA-N 0 3 306.409 4.294 20 30 DIEDHN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1-c1ccccc1 ZINC001238615403 1055698271 /nfs/dbraw/zinc/69/82/71/1055698271.db2.gz OLMKEVQMLXLROC-IRTIRVBGSA-N 0 3 317.436 4.324 20 30 DIEDHN Cc1cc(OC(C)C)cc(C)c1CN1CCC(C)(C#N)CC1 ZINC001238664995 1055714156 /nfs/dbraw/zinc/71/41/56/1055714156.db2.gz UXKDESMVAOXWTH-UHFFFAOYSA-N 0 3 300.446 4.216 20 30 DIEDHN CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001597032952 1055778535 /nfs/dbraw/zinc/77/85/35/1055778535.db2.gz UMODBXBXVRCWCR-QZTJIDSGSA-N 0 3 310.526 4.364 20 30 DIEDHN CCCCCCC[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001597032950 1055779496 /nfs/dbraw/zinc/77/94/96/1055779496.db2.gz UMODBXBXVRCWCR-MSOLQXFVSA-N 0 3 310.526 4.364 20 30 DIEDHN CCCCCCC[C@H](C)NC(=O)Nc1cccc2c1CNC2 ZINC001239191588 1055845822 /nfs/dbraw/zinc/84/58/22/1055845822.db2.gz OFGRJQYWFADROO-AWEZNQCLSA-N 0 3 303.450 4.160 20 30 DIEDHN N#Cc1ccc(/C=C/c2ccc(F)c(CN3CCCC3)c2)cc1 ZINC001239303579 1055862850 /nfs/dbraw/zinc/86/28/50/1055862850.db2.gz AYJCLRQDUSOGEJ-ZZXKWVIFSA-N 0 3 306.384 4.464 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001569790892 1055873132 /nfs/dbraw/zinc/87/31/32/1055873132.db2.gz SHMUEQDDTNLMFB-QZTJIDSGSA-N 0 3 322.537 4.316 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3cccnc3c2)cc1 ZINC000671723969 1055879741 /nfs/dbraw/zinc/87/97/41/1055879741.db2.gz PLDOTKYXSORDDC-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC[C@@]1(C)c1ccccc1 ZINC001620539626 1055965023 /nfs/dbraw/zinc/96/50/23/1055965023.db2.gz PDBURHQANARUEB-FQEVSTJZSA-N 0 3 306.409 4.078 20 30 DIEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001620646880 1055977850 /nfs/dbraw/zinc/97/78/50/1055977850.db2.gz VDBGUAMNTBSULY-CQSZACIVSA-N 0 3 308.853 4.264 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC001620697709 1055981457 /nfs/dbraw/zinc/98/14/57/1055981457.db2.gz QFTRGNUYEPBPGV-UHFFFAOYSA-N 0 3 319.351 4.143 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CC=CCC1 ZINC001621033363 1055997094 /nfs/dbraw/zinc/99/70/94/1055997094.db2.gz ICHOLSNDQXPUOZ-OAHLLOKOSA-N 0 3 303.833 4.188 20 30 DIEDHN C=CCCC[C@H](NCc1ccnn1CC1CC1)c1ccccc1 ZINC001621048329 1056009062 /nfs/dbraw/zinc/00/90/62/1056009062.db2.gz DVTOONJAAZKZKY-FQEVSTJZSA-N 0 3 309.457 4.480 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001584186494 1056279787 /nfs/dbraw/zinc/27/97/87/1056279787.db2.gz SYYCNRMZRDSWHT-ZCPJJFRWSA-N 0 3 320.521 4.284 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2N(C)CC)cc1 ZINC000765849765 1056326228 /nfs/dbraw/zinc/32/62/28/1056326228.db2.gz QARGTAHIMXCTRT-KRWDZBQOSA-N 0 3 322.452 4.006 20 30 DIEDHN C=CCOc1cccc(CN[C@H](C)c2ccc(OC)c(F)c2)c1 ZINC001620825223 1056394103 /nfs/dbraw/zinc/39/41/03/1056394103.db2.gz ISZKGFXWRZXAAH-CQSZACIVSA-N 0 3 315.388 4.250 20 30 DIEDHN CC(C)(C)c1ccc(CNCc2ccc(C#N)c(F)c2)s1 ZINC000404833724 1056420230 /nfs/dbraw/zinc/42/02/30/1056420230.db2.gz JVFLEUVAEDVJIT-UHFFFAOYSA-N 0 3 302.418 4.346 20 30 DIEDHN CC(C)C[C@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC001615401655 1056503484 /nfs/dbraw/zinc/50/34/84/1056503484.db2.gz JBZCQRDDPFNAQZ-OAHLLOKOSA-N 0 3 321.262 4.331 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC001585225164 1056510918 /nfs/dbraw/zinc/51/09/18/1056510918.db2.gz SCCKMHHSVNNOHJ-QZTJIDSGSA-N 0 3 308.510 4.070 20 30 DIEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCCCC1 ZINC000075677300 1056585748 /nfs/dbraw/zinc/58/57/48/1056585748.db2.gz OPSASJCBYPXNMM-UHFFFAOYSA-N 0 3 324.428 4.153 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C(F)F)cc1 ZINC000921999255 1056723437 /nfs/dbraw/zinc/72/34/37/1056723437.db2.gz CITNBYJFJWYZFK-UHFFFAOYSA-N 0 3 300.352 4.403 20 30 DIEDHN N#CCCC[C@H](NCc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC000922145090 1056845722 /nfs/dbraw/zinc/84/57/22/1056845722.db2.gz LKDWMTDWTAYILH-INIZCTEOSA-N 0 3 321.380 4.058 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2ccc(C)c(C)c2)CCCC1(C)C ZINC001617604514 1056855865 /nfs/dbraw/zinc/85/58/65/1056855865.db2.gz UJENNHJTKQAXRF-GOSISDBHSA-N 0 3 314.473 4.309 20 30 DIEDHN C#C[C@@](C)(CC)NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC001618047588 1056918184 /nfs/dbraw/zinc/91/81/84/1056918184.db2.gz DZHMCZFJQHXJMI-NRFANRHFSA-N 0 3 316.448 4.278 20 30 DIEDHN C=CCOc1ccc(CNCc2nccc3ccccc32)cc1 ZINC000067451078 1056941773 /nfs/dbraw/zinc/94/17/73/1056941773.db2.gz LNZYKDSISYUTPG-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN C=CC[C@H](NCc1ccc(OCC)c(F)c1)c1ccncc1 ZINC000785468588 1057007038 /nfs/dbraw/zinc/00/70/38/1057007038.db2.gz JSTBYLHKWWHCHG-KRWDZBQOSA-N 0 3 300.377 4.026 20 30 DIEDHN C=CCCC[C@H](NCc1c2c(nn1C)CCC2)c1ccccc1 ZINC000922334381 1057011121 /nfs/dbraw/zinc/01/11/21/1057011121.db2.gz IEYLEGWOJKXTBN-SFHVURJKSA-N 0 3 309.457 4.096 20 30 DIEDHN C=CCCC[C@@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000922335453 1057011374 /nfs/dbraw/zinc/01/13/74/1057011374.db2.gz SDNBNCLAQCXWGN-GOSISDBHSA-N 0 3 301.409 4.040 20 30 DIEDHN CC(C)C[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000330991902 1057054607 /nfs/dbraw/zinc/05/46/07/1057054607.db2.gz ULXZMVHFOQWSQG-QGZVFWFLSA-N 0 3 324.428 4.009 20 30 DIEDHN N#CCc1cccc(C2=CCN(Cc3ccccc3)CC2)c1F ZINC001241504652 1057075954 /nfs/dbraw/zinc/07/59/54/1057075954.db2.gz XJMHTFQTTJURPO-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN COc1ccc([C@H](NCc2cc(C#N)cs2)C2CCC2)cc1 ZINC000922888008 1057089462 /nfs/dbraw/zinc/08/94/62/1057089462.db2.gz INYJRVJGAPXHNJ-GOSISDBHSA-N 0 3 312.438 4.259 20 30 DIEDHN CC[NH+](CC)Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001241583604 1057099263 /nfs/dbraw/zinc/09/92/63/1057099263.db2.gz UHDYCDYVUKTKLZ-UDWIEESQSA-N 0 3 300.377 4.143 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017720 1057105218 /nfs/dbraw/zinc/10/52/18/1057105218.db2.gz CRVCORZUQOWKKR-CRAIPNDOSA-N 0 3 324.424 4.211 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018799 1057107605 /nfs/dbraw/zinc/10/76/05/1057107605.db2.gz HKNOLUKADFPSEI-IFXJQAMLSA-N 0 3 309.413 4.008 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccncc1 ZINC000766021832 1057120911 /nfs/dbraw/zinc/12/09/11/1057120911.db2.gz UXLUGGZKXCDVRX-UZLBHIALSA-N 0 3 318.424 4.235 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](CC=C)c2ccncc2)cc1 ZINC000766022849 1057122457 /nfs/dbraw/zinc/12/24/57/1057122457.db2.gz XUFNYCIFWNTFMK-OXQOHEQNSA-N 0 3 306.409 4.062 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](CC=C)c2ccncc2)cc1 ZINC000766022847 1057122545 /nfs/dbraw/zinc/12/25/45/1057122545.db2.gz XUFNYCIFWNTFMK-JXFKEZNVSA-N 0 3 306.409 4.062 20 30 DIEDHN CCN(CC)Cc1ccc(-c2cc(F)cc(C#N)c2)cc1F ZINC001241660343 1057126845 /nfs/dbraw/zinc/12/68/45/1057126845.db2.gz ODGQWPMNARMVQV-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN C[C@@H](NCc1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000174431634 1057361563 /nfs/dbraw/zinc/36/15/63/1057361563.db2.gz RSANLYNTWHTRLK-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN CCCN1CCCC[C@@H]1c1ccc(C2=CC(=O)C[C@H](C)C2)nc1 ZINC001242739498 1057464625 /nfs/dbraw/zinc/46/46/25/1057464625.db2.gz DNRDGLNGEFWWOX-FOIQADDNSA-N 0 3 312.457 4.401 20 30 DIEDHN C=CCC[C@H](NCc1cnnn1-c1ccccc1)c1ccccc1 ZINC000676424447 1057470941 /nfs/dbraw/zinc/47/09/41/1057470941.db2.gz NFADBEHZBKRLSQ-FQEVSTJZSA-N 0 3 318.424 4.064 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC000923026774 1057522429 /nfs/dbraw/zinc/52/24/29/1057522429.db2.gz XJDGTBMSWXTCCL-NRFANRHFSA-N 0 3 320.436 4.275 20 30 DIEDHN CCCN(Cc1cc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000611255673 1057587826 /nfs/dbraw/zinc/58/78/26/1057587826.db2.gz NBLLQDDWRLFQJB-UHFFFAOYSA-N 0 3 300.427 4.041 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000611395775 1057597357 /nfs/dbraw/zinc/59/73/57/1057597357.db2.gz SXWLWTCCKXHUNB-IBGZPJMESA-N 0 3 306.409 4.198 20 30 DIEDHN C[C@@H]1C[C@H]1[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434121 1057598871 /nfs/dbraw/zinc/59/88/71/1057598871.db2.gz PADNPMBSGUBUBL-NXOUGTEYSA-N 0 3 311.816 4.094 20 30 DIEDHN CC(C)Cc1ccc([C@@H](NCc2ccnc(C#N)c2)C2CC2)cc1 ZINC000611433572 1057598885 /nfs/dbraw/zinc/59/88/85/1057598885.db2.gz QHULRXWUCNXJHK-OAQYLSRUSA-N 0 3 319.452 4.393 20 30 DIEDHN CCCCSCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422140 1057713661 /nfs/dbraw/zinc/71/36/61/1057713661.db2.gz UQPTWYBTUCIZBA-LLVKDONJSA-N 0 3 322.430 4.145 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(OCC#N)cc2)c1F ZINC001243591486 1057726586 /nfs/dbraw/zinc/72/65/86/1057726586.db2.gz HGPKUSNCACXHFW-UHFFFAOYSA-N 0 3 312.388 4.237 20 30 DIEDHN C#CCOc1ccc(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1 ZINC000733324744 1057813306 /nfs/dbraw/zinc/81/33/06/1057813306.db2.gz ADXWYALKHWNHCG-IBGZPJMESA-N 0 3 323.436 4.403 20 30 DIEDHN N#CC1(c2cccc(-c3cc(N4CCCCC4)ccn3)c2)CC1 ZINC001244074567 1057858924 /nfs/dbraw/zinc/85/89/24/1057858924.db2.gz GREIQZJTDHPRMG-UHFFFAOYSA-N 0 3 303.409 4.294 20 30 DIEDHN N#Cc1ccc(F)c(-c2ccc(F)c(CN3CCCCC3)c2)c1 ZINC001244557812 1057995549 /nfs/dbraw/zinc/99/55/49/1057995549.db2.gz AOZPPELOXZEAGV-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCN(CC)Cc1cc(-c2cccc(C#N)c2F)ccc1F ZINC001245072332 1058107203 /nfs/dbraw/zinc/10/72/03/1058107203.db2.gz HMOORIXFAFDNKC-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CCCCCCCCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001278439725 1058787436 /nfs/dbraw/zinc/78/74/36/1058787436.db2.gz IUMWWQCBAIUYAO-KDURUIRLSA-N 0 3 303.494 4.024 20 30 DIEDHN CN(C)[C@@H](CNc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC001559123727 1059012390 /nfs/dbraw/zinc/01/23/90/1059012390.db2.gz MJBGDGFXMAFALX-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN C=CCN(CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC001559493021 1059270493 /nfs/dbraw/zinc/27/04/93/1059270493.db2.gz MOLLOIYKKQHUSO-YLJYHZDGSA-N 0 3 317.473 4.279 20 30 DIEDHN C#CCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001559498897 1059277921 /nfs/dbraw/zinc/27/79/21/1059277921.db2.gz BZFDRZDNJRLLCC-JOCHJYFZSA-N 0 3 318.464 4.184 20 30 DIEDHN COCCN(CCc1ccccc1)CCC1(C#N)CCCCC1 ZINC001559503107 1059286829 /nfs/dbraw/zinc/28/68/29/1059286829.db2.gz WJUKDTZWWFRVST-UHFFFAOYSA-N 0 3 314.473 4.042 20 30 DIEDHN CCCN(CC1(C#N)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001559574399 1059405843 /nfs/dbraw/zinc/40/58/43/1059405843.db2.gz YOUZLYMECGBEQG-IRXDYDNUSA-N 0 3 304.478 4.130 20 30 DIEDHN Fc1ccc(C#CCNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC001559634035 1059461627 /nfs/dbraw/zinc/46/16/27/1059461627.db2.gz HKWOAWDTRNKYAV-UHFFFAOYSA-N 0 3 311.375 4.375 20 30 DIEDHN CN(CCCCC1(C#N)CCC1)Cc1cc(F)c(F)c(F)c1 ZINC001559678106 1059505970 /nfs/dbraw/zinc/50/59/70/1059505970.db2.gz RIBJDOMSYYHYLA-UHFFFAOYSA-N 0 3 310.363 4.400 20 30 DIEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cc(Cl)ccc1F ZINC001559681072 1059510592 /nfs/dbraw/zinc/51/05/92/1059510592.db2.gz VKKPMLNWDJLLQZ-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN C#C[C@@H](C)N(C)Cc1cc(Br)c2ccccc2c1 ZINC001559797335 1059631612 /nfs/dbraw/zinc/63/16/12/1059631612.db2.gz NKNCYYQPRBEKNF-GFCCVEGCSA-N 0 3 302.215 4.056 20 30 DIEDHN CCCCCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001559873403 1059691416 /nfs/dbraw/zinc/69/14/16/1059691416.db2.gz QLMVUWRPTJXXMN-MOPGFXCFSA-N 0 3 307.453 4.147 20 30 DIEDHN C[C@H](Cc1cccc(F)c1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001559898418 1059712007 /nfs/dbraw/zinc/71/20/07/1059712007.db2.gz XDINHRLDWMKDDT-OAHLLOKOSA-N 0 3 315.819 4.394 20 30 DIEDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1Br ZINC001559903936 1059720568 /nfs/dbraw/zinc/72/05/68/1059720568.db2.gz RQUHJOMORNEWCO-LLVKDONJSA-N 0 3 307.235 4.084 20 30 DIEDHN CC(C)(NCc1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC001559992321 1059796927 /nfs/dbraw/zinc/79/69/27/1059796927.db2.gz WVDDSOAMJGKGOF-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN CC1(C)CN(CC#Cc2ccc(F)cc2)CCc2ccccc21 ZINC001559989939 1059798771 /nfs/dbraw/zinc/79/87/71/1059798771.db2.gz CBUBOSZQYXNCJM-UHFFFAOYSA-N 0 3 307.412 4.013 20 30 DIEDHN Clc1ccc(C#CCN2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC001560079914 1059890870 /nfs/dbraw/zinc/89/08/70/1059890870.db2.gz LXQDGWDNSNRFSW-LJQANCHMSA-N 0 3 317.860 4.115 20 30 DIEDHN C#CC1CCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1 ZINC001248660053 1059927340 /nfs/dbraw/zinc/92/73/40/1059927340.db2.gz IKUUKOPRSLAPSQ-UHFFFAOYSA-N 0 3 315.457 4.106 20 30 DIEDHN C#CCN(CCOCC1CCCC1)[C@H]1CCCc2ccccc21 ZINC001560171998 1059966436 /nfs/dbraw/zinc/96/64/36/1059966436.db2.gz LMIPGVHEUGYMKB-NRFANRHFSA-N 0 3 311.469 4.206 20 30 DIEDHN C=CCN(Cc1ccc(OC)c(OC)c1F)C1CCCCC1 ZINC001248757391 1059968136 /nfs/dbraw/zinc/96/81/36/1059968136.db2.gz ZRXCCUAPTYZACO-UHFFFAOYSA-N 0 3 307.409 4.164 20 30 DIEDHN C=CCCCCN(C)Cc1nc2cccc(Br)c2o1 ZINC001248852137 1060020517 /nfs/dbraw/zinc/02/05/17/1060020517.db2.gz PWAYWPZDPJRNCQ-UHFFFAOYSA-N 0 3 323.234 4.378 20 30 DIEDHN C=CCC[C@H](NCc1cc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC001560405609 1060189506 /nfs/dbraw/zinc/18/95/06/1060189506.db2.gz IXJPQIVXNQZXTF-SFHVURJKSA-N 0 3 318.424 4.269 20 30 DIEDHN N#CC(C(=O)C1CCC=CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001526620394 1060281568 /nfs/dbraw/zinc/28/15/68/1060281568.db2.gz KNORNPKLKYTCKG-LBPRGKRZSA-N 0 3 313.788 4.139 20 30 DIEDHN C=CCOc1cccc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC001560538950 1060342809 /nfs/dbraw/zinc/34/28/09/1060342809.db2.gz JWHZEAAMFWTVHO-MRXNPFEDSA-N 0 3 323.436 4.427 20 30 DIEDHN C#Cc1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001560555947 1060364184 /nfs/dbraw/zinc/36/41/84/1060364184.db2.gz JXYLDINEKDALDC-UHFFFAOYSA-N 0 3 314.432 4.365 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cnc(Cl)c(OC)c1 ZINC001249926553 1060485099 /nfs/dbraw/zinc/48/50/99/1060485099.db2.gz NCSBFVUIDOENRJ-UHFFFAOYSA-N 0 3 316.832 4.322 20 30 DIEDHN CCO[C@@H]1C[C@H](N(C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668211 1060497261 /nfs/dbraw/zinc/49/72/61/1060497261.db2.gz DQOYXEYXXBSFNY-DLBZAZTESA-N 0 3 318.486 4.179 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC001560906153 1060767905 /nfs/dbraw/zinc/76/79/05/1060767905.db2.gz CSSPXIFDAZKXNZ-LBPRGKRZSA-N 0 3 318.214 4.041 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](C3CCCCC3)C2)c(F)c1 ZINC001560946099 1060810484 /nfs/dbraw/zinc/81/04/84/1060810484.db2.gz CJWBMWSNXWEAIF-KRWDZBQOSA-N 0 3 300.421 4.490 20 30 DIEDHN C#CCN(C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C ZINC001561032586 1060886943 /nfs/dbraw/zinc/88/69/43/1060886943.db2.gz JKDIMDVBBSRAAD-INIZCTEOSA-N 0 3 324.509 4.050 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035862 1060888262 /nfs/dbraw/zinc/88/82/62/1060888262.db2.gz LCIHGSMMPXNQOE-WSTZPKSXSA-N 0 3 305.425 4.037 20 30 DIEDHN COc1ccc(C#N)cc1CN(C)CC(C)(C)c1ccc(C)cc1 ZINC001473190156 1060946033 /nfs/dbraw/zinc/94/60/33/1060946033.db2.gz MQRWMZAWELSVFY-UHFFFAOYSA-N 0 3 322.452 4.285 20 30 DIEDHN CCCCCCCCCN1CCN(c2ccc(F)cn2)CC1 ZINC001473318542 1061082683 /nfs/dbraw/zinc/08/26/83/1061082683.db2.gz UQGOVAOOBSOLSB-UHFFFAOYSA-N 0 3 307.457 4.093 20 30 DIEDHN N#Cc1ccc(CNCc2ccc(F)c3ccccc23)cc1F ZINC001462350306 1061124150 /nfs/dbraw/zinc/12/41/50/1061124150.db2.gz VRRHHISZEBUFPT-UHFFFAOYSA-N 0 3 308.331 4.279 20 30 DIEDHN N#CC1(CNCC(Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001462356360 1061126662 /nfs/dbraw/zinc/12/66/62/1061126662.db2.gz OKGDFPBZFOOEMS-UHFFFAOYSA-N 0 3 318.464 4.371 20 30 DIEDHN C=C(C)[C@H](NC[C@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400253 1061137026 /nfs/dbraw/zinc/13/70/26/1061137026.db2.gz NNYSOYNBDNZDJJ-PBHICJAKSA-N 0 3 307.384 4.131 20 30 DIEDHN CC(C)Oc1cc(Cl)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC001462543375 1061251145 /nfs/dbraw/zinc/25/11/45/1061251145.db2.gz CRHRSCFZBPYMCZ-CJNGLKHVSA-N 0 3 306.837 4.299 20 30 DIEDHN C#CCC1(NCc2cc(F)ccc2Br)CCCCC1 ZINC001473824893 1061425969 /nfs/dbraw/zinc/42/59/69/1061425969.db2.gz VTPQQELDXYWYHQ-UHFFFAOYSA-N 0 3 324.237 4.404 20 30 DIEDHN C=CC[C@H](NCc1ccc(N(CC)CC)cc1)c1ccncc1 ZINC001474008129 1061549162 /nfs/dbraw/zinc/54/91/62/1061549162.db2.gz WAVZGPCEPWZSPX-FQEVSTJZSA-N 0 3 309.457 4.335 20 30 DIEDHN CCCCCCCC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC001252128217 1061585889 /nfs/dbraw/zinc/58/58/89/1061585889.db2.gz KLGDATYSCUFCFY-HUUCEWRRSA-N 0 3 309.416 4.372 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1ccc2ccccc2n1 ZINC001252135630 1061595047 /nfs/dbraw/zinc/59/50/47/1061595047.db2.gz GOGVHBUDHWPALN-LJQANCHMSA-N 0 3 314.473 4.436 20 30 DIEDHN C=C[C@@](C)(O)CN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001252556259 1061663783 /nfs/dbraw/zinc/66/37/83/1061663783.db2.gz FOPSANGUGFLLIA-HZPDHXFCSA-N 0 3 313.363 4.169 20 30 DIEDHN C#Cc1cccc(CNCc2cnc(-c3ccc(C)cc3)s2)c1 ZINC001474178997 1061724401 /nfs/dbraw/zinc/72/44/01/1061724401.db2.gz XUXDBVQVBSCXQN-UHFFFAOYSA-N 0 3 318.445 4.390 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ccc(C)cn1 ZINC001252983140 1061774104 /nfs/dbraw/zinc/77/41/04/1061774104.db2.gz RVGWVVSAKOYDNM-IBGZPJMESA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ccc(C#N)o1 ZINC001252988126 1061780937 /nfs/dbraw/zinc/78/09/37/1061780937.db2.gz BDACJVHQAIMXRZ-INIZCTEOSA-N 0 3 306.450 4.133 20 30 DIEDHN C=C(C)COc1cc(CNC(C)(C)/C=C\Cl)ccc1OC ZINC001474273962 1061840879 /nfs/dbraw/zinc/84/08/79/1061840879.db2.gz NUBZTPRFCVETQX-HJWRWDBZSA-N 0 3 309.837 4.271 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1cnc(C(C)C)s1 ZINC001253255549 1061858380 /nfs/dbraw/zinc/85/83/80/1061858380.db2.gz JSLJWAAUMQBAJE-OAHLLOKOSA-N 0 3 310.507 4.244 20 30 DIEDHN CN(CCc1cccc2ccccc21)Cc1csc(C#N)c1 ZINC001474331659 1061921962 /nfs/dbraw/zinc/92/19/62/1061921962.db2.gz KPOVFTIMXFYWFP-UHFFFAOYSA-N 0 3 306.434 4.447 20 30 DIEDHN CCCCCCCCCCCC[C@H](O)CNCc1cncnc1 ZINC001253563315 1061927860 /nfs/dbraw/zinc/92/78/60/1061927860.db2.gz CLECMWXRTMKHBQ-IBGZPJMESA-N 0 3 321.509 4.238 20 30 DIEDHN CCCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1C ZINC001474401460 1062056473 /nfs/dbraw/zinc/05/64/73/1062056473.db2.gz OBZCZKJOFMCGDD-UHFFFAOYSA-N 0 3 308.425 4.288 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC001254388799 1062092853 /nfs/dbraw/zinc/09/28/53/1062092853.db2.gz IKMVAHHVHOYDLN-UWJYYQICSA-N 0 3 320.436 4.300 20 30 DIEDHN C=CCN(CCOC1CCCCC1)Cc1ccc(OC)cc1 ZINC001459345205 1062100771 /nfs/dbraw/zinc/10/07/71/1062100771.db2.gz QRZBJHQCYDOGBG-UHFFFAOYSA-N 0 3 303.446 4.033 20 30 DIEDHN C=CCN(Cc1cc2cc(Br)ccc2o1)C1CC1 ZINC001474428236 1062101710 /nfs/dbraw/zinc/10/17/10/1062101710.db2.gz XDPSWGAJYDJHBB-UHFFFAOYSA-N 0 3 306.203 4.346 20 30 DIEDHN C=CCN(CCCSC(C)(C)C)Cc1cccc(C#N)c1 ZINC001459399571 1062128820 /nfs/dbraw/zinc/12/88/20/1062128820.db2.gz MKTXXDIOCIWHSE-UHFFFAOYSA-N 0 3 302.487 4.468 20 30 DIEDHN Cc1ccc([C@@H]2C[C@H](C)N(Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482750 1062160596 /nfs/dbraw/zinc/16/05/96/1062160596.db2.gz HIYZRRXDSMXKPG-MAUKXSAKSA-N 0 3 308.400 4.384 20 30 DIEDHN C=CCCCCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001459486252 1062164013 /nfs/dbraw/zinc/16/40/13/1062164013.db2.gz RPGYFCOFLGJPRR-KRWDZBQOSA-N 0 3 320.864 4.124 20 30 DIEDHN C=C(C)CN(Cc1cc(COC)cs1)Cc1ccccc1 ZINC001474493466 1062173201 /nfs/dbraw/zinc/17/32/01/1062173201.db2.gz QKUJSMGCBMJZMF-UHFFFAOYSA-N 0 3 301.455 4.473 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC001459516088 1062179572 /nfs/dbraw/zinc/17/95/72/1062179572.db2.gz RVOLDACQCRFHLJ-LJQANCHMSA-N 0 3 312.363 4.216 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643939 1062213650 /nfs/dbraw/zinc/21/36/50/1062213650.db2.gz OWGOZCXWKLDMTM-PBHICJAKSA-N 0 3 310.372 4.400 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643942 1062213899 /nfs/dbraw/zinc/21/38/99/1062213899.db2.gz OWGOZCXWKLDMTM-WMLDXEAASA-N 0 3 310.372 4.400 20 30 DIEDHN COc1cccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC001254646066 1062213991 /nfs/dbraw/zinc/21/39/91/1062213991.db2.gz JVRYIHAIBQPLPC-QKYXUNIQSA-N 0 3 306.409 4.066 20 30 DIEDHN C#C[C@@H](NC1CC2(C1)CCCC2)c1ccc(Br)cc1 ZINC001474545239 1062238959 /nfs/dbraw/zinc/23/89/59/1062238959.db2.gz CGZOPQAUWKWYQE-MRXNPFEDSA-N 0 3 318.258 4.436 20 30 DIEDHN CC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459617297 1062251204 /nfs/dbraw/zinc/25/12/04/1062251204.db2.gz BLYNBPSQKRAHHI-AWEZNQCLSA-N 0 3 311.347 4.059 20 30 DIEDHN CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC001474585535 1062297890 /nfs/dbraw/zinc/29/78/90/1062297890.db2.gz WBTZJIYESONVRX-OAHLLOKOSA-N 0 3 310.363 4.310 20 30 DIEDHN C=CCC(C)(C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001468397550 1062313085 /nfs/dbraw/zinc/31/30/85/1062313085.db2.gz IBSCDUPRQSCXLJ-UHFFFAOYSA-N 0 3 314.473 4.005 20 30 DIEDHN CC(C)(C)O[C@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC001474631659 1062355590 /nfs/dbraw/zinc/35/55/90/1062355590.db2.gz MZRVOYKHDLTYOD-CVEARBPZSA-N 0 3 304.478 4.176 20 30 DIEDHN COc1ccc(C#N)cc1CN(Cc1ccccc1)C(C)(C)C ZINC001459748272 1062357518 /nfs/dbraw/zinc/35/75/18/1062357518.db2.gz PUFWGORPAZRCAL-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN CCC#C[C@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001459749159 1062359766 /nfs/dbraw/zinc/35/97/66/1062359766.db2.gz WFFVTKMYEGARQS-GJZGRUSLSA-N 0 3 302.487 4.003 20 30 DIEDHN C[C@@H](CC(F)(F)F)NCc1ccc(OC(F)(F)F)c(F)c1 ZINC001255636484 1062492181 /nfs/dbraw/zinc/49/21/81/1062492181.db2.gz OSGSQUVTOQAAOV-ZETCQYMHSA-N 0 3 319.220 4.155 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC001459929585 1062501944 /nfs/dbraw/zinc/50/19/44/1062501944.db2.gz FBBQGPIBEOITOK-UKRRQHHQSA-N 0 3 310.363 4.338 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255706022 1062530321 /nfs/dbraw/zinc/53/03/21/1062530321.db2.gz NZZHNIBNXAELFH-CVEARBPZSA-N 0 3 308.347 4.037 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001255706943 1062534550 /nfs/dbraw/zinc/53/45/50/1062534550.db2.gz YMJQHHIHYJGVBP-CVEARBPZSA-N 0 3 308.347 4.037 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001255706945 1062535203 /nfs/dbraw/zinc/53/52/03/1062535203.db2.gz YMJQHHIHYJGVBP-HZPDHXFCSA-N 0 3 308.347 4.037 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(F)c(F)c1 ZINC001459980373 1062539170 /nfs/dbraw/zinc/53/91/70/1062539170.db2.gz OBDNFNGFMFBSBY-KYABYICQSA-N 0 3 307.384 4.129 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001460044238 1062595105 /nfs/dbraw/zinc/59/51/05/1062595105.db2.gz WAWQHZMTFGMVNR-QGZVFWFLSA-N 0 3 301.430 4.182 20 30 DIEDHN C=C(C)CN(CCc1ccc(C)cc1)Cc1cnn(C(C)C)c1 ZINC001460089506 1062627781 /nfs/dbraw/zinc/62/77/81/1062627781.db2.gz IAKWMGSRWKRNJM-UHFFFAOYSA-N 0 3 311.473 4.393 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC1CCCCCC1 ZINC001460275929 1062749575 /nfs/dbraw/zinc/74/95/75/1062749575.db2.gz FFLANDYHAQDBIS-INIZCTEOSA-N 0 3 300.446 4.290 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)cc1OC)c1cc(C)ccc1C ZINC001460624984 1062943820 /nfs/dbraw/zinc/94/38/20/1062943820.db2.gz CRSFMUFIXWGQIT-IBGZPJMESA-N 0 3 308.425 4.425 20 30 DIEDHN COc1ccc([C@H](C)NCC#Cc2ccccc2Cl)cc1C ZINC001460750391 1063042367 /nfs/dbraw/zinc/04/23/67/1063042367.db2.gz XTHDQLODRQNGFJ-HNNXBMFYSA-N 0 3 313.828 4.359 20 30 DIEDHN C[C@@H]1C[C@H](C)CCN(Cc2ccc(C#N)cc2Br)C1 ZINC001460802405 1063066873 /nfs/dbraw/zinc/06/68/73/1063066873.db2.gz QZJCMILKWYKLHC-CHWSQXEVSA-N 0 3 321.262 4.189 20 30 DIEDHN C#CCN(CCOc1ccc(Oc2ccccc2)cc1)C(C)C ZINC001460812239 1063075852 /nfs/dbraw/zinc/07/58/52/1063075852.db2.gz CPKPIEDGHQZCOO-UHFFFAOYSA-N 0 3 309.409 4.201 20 30 DIEDHN N#Cc1ccc(C2CCC(Nc3cccc(F)c3CN)CC2)cc1 ZINC001257010220 1063078247 /nfs/dbraw/zinc/07/82/47/1063078247.db2.gz UPFPCAHTMXHBTI-UHFFFAOYSA-N 0 3 323.415 4.294 20 30 DIEDHN C[C@@]1(F)CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257017683 1063081981 /nfs/dbraw/zinc/08/19/81/1063081981.db2.gz YHHSBSJGFRTXRQ-WZOJCFFYSA-N 0 3 318.411 4.356 20 30 DIEDHN C#CCN(C[C@H]1CCC2(CCC2)O1)[C@H]1CCCc2ccccc21 ZINC001460839925 1063093256 /nfs/dbraw/zinc/09/32/56/1063093256.db2.gz XVLGHEZVUZBMBI-QUCCMNQESA-N 0 3 309.453 4.101 20 30 DIEDHN C#CCN(C[C@H]1CCC2(CCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001460839929 1063095651 /nfs/dbraw/zinc/09/56/51/1063095651.db2.gz XVLGHEZVUZBMBI-UYAOXDASSA-N 0 3 309.453 4.101 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cscc1Br ZINC001460885315 1063114570 /nfs/dbraw/zinc/11/45/70/1063114570.db2.gz DYWIUBISNACTMD-GFCCVEGCSA-N 0 3 300.265 4.441 20 30 DIEDHN COc1ccc2cc(CC[C@@H](C)NCC3(C#N)CCC3)ccc2c1 ZINC001257271011 1063174830 /nfs/dbraw/zinc/17/48/30/1063174830.db2.gz STMYMAYFFZPRTN-MRXNPFEDSA-N 0 3 322.452 4.453 20 30 DIEDHN CCC(C)(C)C1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001257402902 1063250315 /nfs/dbraw/zinc/25/03/15/1063250315.db2.gz KKXYRMDMCLANPM-UHFFFAOYSA-N 0 3 307.869 4.435 20 30 DIEDHN CCCCCCCCCC[C@@H](C)N1CCN(CCC#N)CC1 ZINC001257550219 1063332349 /nfs/dbraw/zinc/33/23/49/1063332349.db2.gz LCPJPLCHROLQDQ-LJQANCHMSA-N 0 3 307.526 4.437 20 30 DIEDHN CCCCCCCCCC[C@H](C)N1CCN(CCC#N)CC1 ZINC001257550218 1063332977 /nfs/dbraw/zinc/33/29/77/1063332977.db2.gz LCPJPLCHROLQDQ-IBGZPJMESA-N 0 3 307.526 4.437 20 30 DIEDHN C=CCCCCN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC001473104300 1063400658 /nfs/dbraw/zinc/40/06/58/1063400658.db2.gz IZXNZGXMZVKIFQ-GOSISDBHSA-N 0 3 303.446 4.033 20 30 DIEDHN COCCN(Cc1ccc(C)cc1C)Cc1ccc(C#N)cc1C ZINC001473126120 1063430219 /nfs/dbraw/zinc/43/02/19/1063430219.db2.gz DSVSLGACCFVTRK-UHFFFAOYSA-N 0 3 322.452 4.132 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCCC1(F)F ZINC001473131822 1063437122 /nfs/dbraw/zinc/43/71/22/1063437122.db2.gz NVHRVJNMRNJWOO-KRWDZBQOSA-N 0 3 304.384 4.372 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001473132169 1063441714 /nfs/dbraw/zinc/44/17/14/1063441714.db2.gz UTZKJNCCXIAPIA-WOJBJXKFSA-N 0 3 306.384 4.241 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cn(Cc2ccccn2)cn1 ZINC001258043271 1063475263 /nfs/dbraw/zinc/47/52/63/1063475263.db2.gz NMAJFHBKKLXVBT-KRWDZBQOSA-N 0 3 314.477 4.165 20 30 DIEDHN CCCCCCCCCCC[C@@H](C)n1cc(CN)cnc1=N ZINC001258050994 1063480804 /nfs/dbraw/zinc/48/08/04/1063480804.db2.gz ANDVUNLMAGUZLN-MRXNPFEDSA-N 0 3 306.498 4.303 20 30 DIEDHN CCCCCCC[C@H](C)n1nc(C(F)(F)F)c2c1CNCC2 ZINC001258049593 1063482531 /nfs/dbraw/zinc/48/25/31/1063482531.db2.gz LOGYBZVLSGRVDP-LBPRGKRZSA-N 0 3 317.399 4.469 20 30 DIEDHN Cc1ccc2cc(CNCc3ccc(C#N)c(Cl)c3)[nH]c2c1 ZINC001461476980 1063528508 /nfs/dbraw/zinc/52/85/08/1063528508.db2.gz OEZZMFZVJXHKFI-UHFFFAOYSA-N 0 3 309.800 4.291 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC001461517892 1063550019 /nfs/dbraw/zinc/55/00/19/1063550019.db2.gz ABPYKNFXVCKOFX-UHFFFAOYSA-N 0 3 320.219 4.295 20 30 DIEDHN CCOC(=O)CC[C@@H](C)N(CCC#N)C1CCCCCCC1 ZINC001258493556 1063673397 /nfs/dbraw/zinc/67/33/97/1063673397.db2.gz BADSNWPKXRHYAR-MRXNPFEDSA-N 0 3 308.466 4.047 20 30 DIEDHN CCOC(=O)CC[C@H](C)N(CCC#N)C1CCCCCCC1 ZINC001258493554 1063673737 /nfs/dbraw/zinc/67/37/37/1063673737.db2.gz BADSNWPKXRHYAR-INIZCTEOSA-N 0 3 308.466 4.047 20 30 DIEDHN C#CC1(NCc2cnc(-c3ccc(C)c(C)c3)s2)CCCC1 ZINC001461716609 1063675687 /nfs/dbraw/zinc/67/56/87/1063675687.db2.gz PGUSUYQDQQLPCY-UHFFFAOYSA-N 0 3 310.466 4.463 20 30 DIEDHN C=CCC[C@@H](C)NCc1cn(Cc2ccccc2Cl)cn1 ZINC001258723730 1063777129 /nfs/dbraw/zinc/77/71/29/1063777129.db2.gz CYAYJBNCAAZWMB-CQSZACIVSA-N 0 3 303.837 4.029 20 30 DIEDHN C=CCC[C@H](C)NCc1csc(-c2cccc(OC)c2)n1 ZINC001258725265 1063779786 /nfs/dbraw/zinc/77/97/86/1063779786.db2.gz IKPVCBHYPLYNKL-ZDUSSCGKSA-N 0 3 302.443 4.263 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cccs1 ZINC000589503129 1064005270 /nfs/dbraw/zinc/00/52/70/1064005270.db2.gz MLLIPDBJGWNTOF-SNVBAGLBSA-N 0 3 310.344 4.489 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001303988338 1065126523 /nfs/dbraw/zinc/12/65/23/1065126523.db2.gz HQGIXGRHDSTILZ-TUQDCPSNSA-N 0 3 308.510 4.140 20 30 DIEDHN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H]1C1CCCCC1 ZINC001307421671 1065383743 /nfs/dbraw/zinc/38/37/43/1065383743.db2.gz IYLIYWWPMXSCGY-KRWDZBQOSA-N 0 3 313.401 4.011 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN(Cc1cccc(F)c1)C1CC1 ZINC001307420834 1065384025 /nfs/dbraw/zinc/38/40/25/1065384025.db2.gz MODWBIIGCUHYSF-UHFFFAOYSA-N 0 3 308.400 4.479 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(OC)c1C ZINC001307423817 1065384443 /nfs/dbraw/zinc/38/44/43/1065384443.db2.gz NBRUGUKUUBETGM-UHFFFAOYSA-N 0 3 311.425 4.200 20 30 DIEDHN COc1ccc(C#N)cc1CN(Cc1ccccc1)CC1CCC1 ZINC001307427666 1065388253 /nfs/dbraw/zinc/38/82/53/1065388253.db2.gz GVWYADPJOAJHHY-UHFFFAOYSA-N 0 3 320.436 4.369 20 30 DIEDHN C#CCN(C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001307431272 1065390345 /nfs/dbraw/zinc/39/03/45/1065390345.db2.gz VNGRUODKIBSFNA-LEWJYISDSA-N 0 3 323.411 4.136 20 30 DIEDHN C#CCN(C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001307431274 1065391275 /nfs/dbraw/zinc/39/12/75/1065391275.db2.gz VNGRUODKIBSFNA-RTWAWAEBSA-N 0 3 323.411 4.136 20 30 DIEDHN C#CCN(Cc1ccc(F)cc1)CC1([C@@H]2CCCCO2)CCC1 ZINC001307444830 1065405132 /nfs/dbraw/zinc/40/51/32/1065405132.db2.gz KMCLCQZLZDHKLK-IBGZPJMESA-N 0 3 315.432 4.000 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1cc(C#N)ccn1)CC1CCC1 ZINC001307483803 1065430901 /nfs/dbraw/zinc/43/09/01/1065430901.db2.gz VNPVEHUWWCBELB-MRXNPFEDSA-N 0 3 305.425 4.317 20 30 DIEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503456 1065446269 /nfs/dbraw/zinc/44/62/69/1065446269.db2.gz ORCPHFZQEDPFND-DLBZAZTESA-N 0 3 318.486 4.179 20 30 DIEDHN CCC(CC)CN(CCC#N)C[C@H](C)c1ccc(OC)cc1 ZINC001307512794 1065452886 /nfs/dbraw/zinc/45/28/86/1065452886.db2.gz HPBLNTCXTPQYQN-INIZCTEOSA-N 0 3 302.462 4.451 20 30 DIEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552198 1065478504 /nfs/dbraw/zinc/47/85/04/1065478504.db2.gz TUDYQYFMJNLESO-HZPDHXFCSA-N 0 3 306.475 4.035 20 30 DIEDHN N#CCC1(CN2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC001307655133 1065544089 /nfs/dbraw/zinc/54/40/89/1065544089.db2.gz XDOFMXUKVBWVRG-HNNXBMFYSA-N 0 3 318.848 4.125 20 30 DIEDHN CCCCCCCN1CCN(c2cncc3ccccc32)CC1 ZINC001307695534 1065568652 /nfs/dbraw/zinc/56/86/52/1065568652.db2.gz IKFMIPZXDPAADS-UHFFFAOYSA-N 0 3 311.473 4.327 20 30 DIEDHN C=CCC1(NCc2ncccc2Br)CCCCC1 ZINC001308002569 1065721658 /nfs/dbraw/zinc/72/16/58/1065721658.db2.gz ITONCDSZAQBSCE-UHFFFAOYSA-N 0 3 309.251 4.213 20 30 DIEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001308136308 1065776549 /nfs/dbraw/zinc/77/65/49/1065776549.db2.gz KNEVZPKDQPQXMO-SFHVURJKSA-N 0 3 314.473 4.353 20 30 DIEDHN C#Cc1cccc(CNCc2cnc(-c3ccsc3)s2)c1 ZINC001308435639 1065986399 /nfs/dbraw/zinc/98/63/99/1065986399.db2.gz ODCSRSCVSCKGAG-UHFFFAOYSA-N 0 3 310.447 4.143 20 30 DIEDHN C#CCOc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC001308482592 1066020311 /nfs/dbraw/zinc/02/03/11/1066020311.db2.gz PVEFHNPCSHUTOS-IBGZPJMESA-N 0 3 311.812 4.129 20 30 DIEDHN COc1ccc2cc(CNCc3ccc(C)c(C#N)c3)ccc2c1 ZINC001308517390 1066040311 /nfs/dbraw/zinc/04/03/11/1066040311.db2.gz DWVQSOCWKQZLJD-UHFFFAOYSA-N 0 3 316.404 4.318 20 30 DIEDHN C=C(C)[C@@H](N[C@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697704 1066186427 /nfs/dbraw/zinc/18/64/27/1066186427.db2.gz WZLLYLDLLNSNOL-IAQYHMDHSA-N 0 3 303.393 4.263 20 30 DIEDHN C#C[C@H](N[C@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786110 1066261879 /nfs/dbraw/zinc/26/18/79/1066261879.db2.gz JAWHSOGBJMEREH-KDOFPFPSSA-N 0 3 313.441 4.443 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)C[C@@H](C)C(C)(C)C ZINC001308931397 1066404967 /nfs/dbraw/zinc/40/49/67/1066404967.db2.gz RMXGZJBAKVJRRO-CQSZACIVSA-N 0 3 307.865 4.466 20 30 DIEDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973508 185138223 /nfs/dbraw/zinc/13/82/23/185138223.db2.gz FIKLSUQTIJYUOM-KGLIPLIRSA-N 0 3 309.369 4.187 20 30 DIEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776351 191226916 /nfs/dbraw/zinc/22/69/16/191226916.db2.gz IMVMIFBSYJFPHF-YOEHRIQHSA-N 0 3 324.428 4.009 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3c1cccc3Cl)CC2 ZINC000563783395 335007163 /nfs/dbraw/zinc/00/71/63/335007163.db2.gz WVAWRQOSKLJQNK-MOPGFXCFSA-N 0 3 308.812 4.476 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2sc(CC)nc2C)cc1 ZINC000287572312 335044667 /nfs/dbraw/zinc/04/46/67/335044667.db2.gz QPYNEJLIDNERAS-CYBMUJFWSA-N 0 3 316.470 4.430 20 30 DIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCO2 ZINC000272318947 130020043 /nfs/dbraw/zinc/02/00/43/130020043.db2.gz VNHWFWSBPVLPHS-LJQANCHMSA-N 0 3 318.420 4.223 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156995 335069452 /nfs/dbraw/zinc/06/94/52/335069452.db2.gz DAPHYPGJDVTSPU-ZWKOTPCHSA-N 0 3 309.384 4.176 20 30 DIEDHN C=CCC[C@@H](CCC)N[C@H](C)c1ncc(Br)cn1 ZINC000570502711 332764948 /nfs/dbraw/zinc/76/49/48/332764948.db2.gz MNJZLAJTOYGRPR-DGCLKSJQSA-N 0 3 312.255 4.025 20 30 DIEDHN C=CCSCCN[C@H](C)c1ccc(Br)c(F)c1 ZINC000557258727 331778860 /nfs/dbraw/zinc/77/88/60/331778860.db2.gz LNIQELAMFDZFMN-SNVBAGLBSA-N 0 3 318.255 4.158 20 30 DIEDHN N#Cc1ccc(F)c(CN[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000530464288 331487313 /nfs/dbraw/zinc/48/73/13/331487313.db2.gz QWDASGZWUACRBQ-PXNSSMCTSA-N 0 3 308.400 4.198 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973483 331678605 /nfs/dbraw/zinc/67/86/05/331678605.db2.gz FIKLSUQTIJYUOM-UONOGXRCSA-N 0 3 309.369 4.187 20 30 DIEDHN C[C@H](CCNC1(c2cccc(C#N)c2)CC1)OCc1ccccc1 ZINC000556505305 331709069 /nfs/dbraw/zinc/70/90/69/331709069.db2.gz HSCUOBSJAFYCOA-QGZVFWFLSA-N 0 3 320.436 4.132 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)c(C)c1OC ZINC000558154101 331880225 /nfs/dbraw/zinc/88/02/25/331880225.db2.gz RVLDJMBMLDALLF-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN C=CCOCCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000559152117 331982900 /nfs/dbraw/zinc/98/29/00/331982900.db2.gz YQCWKPNFSUNMHJ-LBPRGKRZSA-N 0 3 320.433 4.111 20 30 DIEDHN CC(C)N(CCO[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000521195515 332055124 /nfs/dbraw/zinc/05/51/24/332055124.db2.gz DHSWQWQEHIMJDL-XLIONFOSSA-N 0 3 314.473 4.364 20 30 DIEDHN C=CCCCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000569419822 332079271 /nfs/dbraw/zinc/07/92/71/332079271.db2.gz HJWANCAQFJXVAQ-IBGZPJMESA-N 0 3 308.425 4.312 20 30 DIEDHN Cc1ccc(CN(CCOc2ccc(C#N)cc2)C(C)C)s1 ZINC000518597055 332090892 /nfs/dbraw/zinc/09/08/92/332090892.db2.gz APNMJBNMKVUMQF-UHFFFAOYSA-N 0 3 314.454 4.218 20 30 DIEDHN CC[C@H](c1ccncc1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000092223977 332122256 /nfs/dbraw/zinc/12/22/56/332122256.db2.gz AOYQBGNFVYNBID-LJQANCHMSA-N 0 3 307.441 4.466 20 30 DIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ncc(Br)s1 ZINC000133086334 332136498 /nfs/dbraw/zinc/13/64/98/332136498.db2.gz JVFOOKPOJXGUQD-ZJUUUORDSA-N 0 3 303.269 4.301 20 30 DIEDHN C=CCCC[C@@H](C)N[C@H](C)c1ncc(Br)s1 ZINC000133086698 332136594 /nfs/dbraw/zinc/13/65/94/332136594.db2.gz JVFOOKPOJXGUQD-NXEZZACHSA-N 0 3 303.269 4.301 20 30 DIEDHN CCCC[C@H](C)N(CCCC)CC(=O)Nc1sccc1C#N ZINC000559387409 332143222 /nfs/dbraw/zinc/14/32/22/332143222.db2.gz PMGSDYFNTZLFJQ-AWEZNQCLSA-N 0 3 321.490 4.239 20 30 DIEDHN CCCCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000236775712 332202919 /nfs/dbraw/zinc/20/29/19/332202919.db2.gz XLJHVAGAHVDKNZ-UHFFFAOYSA-N 0 3 308.425 4.417 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NC/C=C\c2ccc(Br)cc2)C1 ZINC000449452187 332205969 /nfs/dbraw/zinc/20/59/69/332205969.db2.gz FKXZWSCHSHJNBW-SSMWTBERSA-N 0 3 319.246 4.134 20 30 DIEDHN CC[C@H](CNCc1cc(C#N)cs1)Oc1cccc(Cl)c1 ZINC000531009820 332208438 /nfs/dbraw/zinc/20/84/38/332208438.db2.gz AABYBIFCODLORI-CQSZACIVSA-N 0 3 320.845 4.220 20 30 DIEDHN C=C(C)[C@@H](NCCCOCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000187765712 332350998 /nfs/dbraw/zinc/35/09/98/332350998.db2.gz LKSZQACEZIEVMC-CQSZACIVSA-N 0 3 323.305 4.141 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)cc1 ZINC000560571955 332362382 /nfs/dbraw/zinc/36/23/82/332362382.db2.gz PARAPJXSCHJYTK-VBKZILBWSA-N 0 3 311.400 4.414 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000237826254 332392896 /nfs/dbraw/zinc/39/28/96/332392896.db2.gz OKVRRGKKTVWEQJ-FQEVSTJZSA-N 0 3 306.409 4.146 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCCOc2ccccc2C#N)cc1 ZINC000561083113 332408624 /nfs/dbraw/zinc/40/86/24/332408624.db2.gz SSVHTIHCJKDKKL-INIZCTEOSA-N 0 3 324.424 4.075 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccn(C)c2)cc1 ZINC000158586748 332574895 /nfs/dbraw/zinc/57/48/95/332574895.db2.gz JBYQKDQNJYHOIU-AWEZNQCLSA-N 0 3 304.821 4.007 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccc(OC(C)C)cc2)cc1C#N ZINC000172688412 332630403 /nfs/dbraw/zinc/63/04/03/332630403.db2.gz QEFOGXADHLWLEC-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN Cc1cc(CNCc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000443970791 332646981 /nfs/dbraw/zinc/64/69/81/332646981.db2.gz UOBLDQBRCPVNDZ-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN C=CCC[C@@H](NC[C@H](C)Oc1ccccc1OC)c1ccco1 ZINC000570470778 332759352 /nfs/dbraw/zinc/75/93/52/332759352.db2.gz VRHPOAOFUDMIOI-JKSUJKDBSA-N 0 3 315.413 4.353 20 30 DIEDHN N#Cc1csc(CNC2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000466475307 333023068 /nfs/dbraw/zinc/02/30/68/333023068.db2.gz SQZWFWMPVQYOIF-UHFFFAOYSA-N 0 3 320.820 4.448 20 30 DIEDHN CCN(Cc1cccc(NC(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000170643440 333037813 /nfs/dbraw/zinc/03/78/13/333037813.db2.gz GMEBRRSGDJIWRZ-OAHLLOKOSA-N 0 3 321.424 4.100 20 30 DIEDHN CN(CCCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000174810500 333091049 /nfs/dbraw/zinc/09/10/49/333091049.db2.gz TVCIOIDTYGQDBA-UHFFFAOYSA-N 0 3 315.280 4.272 20 30 DIEDHN CC(C)(C#N)CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000174870825 333092134 /nfs/dbraw/zinc/09/21/34/333092134.db2.gz VNRAGUMGWWQIIX-INIZCTEOSA-N 0 3 316.420 4.050 20 30 DIEDHN C=CCOc1ccccc1CNC[C@@H](C)Oc1cccc(C)c1 ZINC000462736383 333101691 /nfs/dbraw/zinc/10/16/91/333101691.db2.gz SGFWCZKWNATAQG-QGZVFWFLSA-N 0 3 311.425 4.117 20 30 DIEDHN N#CCOc1ccc(CN[C@@H]2CCCCc3ccccc32)cc1 ZINC000177444901 333129084 /nfs/dbraw/zinc/12/90/84/333129084.db2.gz JUNZKGCROLWKMW-HXUWFJFHSA-N 0 3 306.409 4.146 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000180446998 333161763 /nfs/dbraw/zinc/16/17/63/333161763.db2.gz KFPKHGUGCODMPV-CQSZACIVSA-N 0 3 323.396 4.247 20 30 DIEDHN CCc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)s1 ZINC000180556205 333163139 /nfs/dbraw/zinc/16/31/39/333163139.db2.gz XAUPOAFKHNBQDV-CYBMUJFWSA-N 0 3 300.427 4.064 20 30 DIEDHN Cc1cccnc1[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754558 333172071 /nfs/dbraw/zinc/17/20/71/333172071.db2.gz BAIMABUPCIGQLH-QFBILLFUSA-N 0 3 323.440 4.340 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1[O-] ZINC000182656361 333179430 /nfs/dbraw/zinc/17/94/30/333179430.db2.gz CHDBMGLXOQQJSH-KRWDZBQOSA-N 0 3 314.816 4.489 20 30 DIEDHN C[C@@H](NCCCSCC#N)c1cccc(Cl)c1Cl ZINC000183767649 333187652 /nfs/dbraw/zinc/18/76/52/333187652.db2.gz ADUBOBNSBDOXDC-SNVBAGLBSA-N 0 3 303.258 4.291 20 30 DIEDHN C[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000183989569 333190670 /nfs/dbraw/zinc/19/06/70/333190670.db2.gz OFTAVVCHLLVNRK-CYBMUJFWSA-N 0 3 316.351 4.377 20 30 DIEDHN Cc1ccc(C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831265 333214710 /nfs/dbraw/zinc/21/47/10/333214710.db2.gz ZCAHMWYDNJNORT-ZJOUEHCJSA-N 0 3 319.452 4.346 20 30 DIEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852530 333215095 /nfs/dbraw/zinc/21/50/95/333215095.db2.gz SIEZRGWLGJIYRT-GUXCAODWSA-N 0 3 305.425 4.482 20 30 DIEDHN COc1ccc(O)c([C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000186150790 333217524 /nfs/dbraw/zinc/21/75/24/333217524.db2.gz BNFJCYSFCVUUCF-RDTXWAMCSA-N 0 3 310.397 4.096 20 30 DIEDHN C[C@@H](NCCCSCC#N)c1cc(Cl)ccc1Cl ZINC000186184573 333217655 /nfs/dbraw/zinc/21/76/55/333217655.db2.gz LSAJMKCNTMFDGL-SNVBAGLBSA-N 0 3 303.258 4.291 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000497196666 333220277 /nfs/dbraw/zinc/22/02/77/333220277.db2.gz BGVUIFRHPLMJFQ-UHFFFAOYSA-N 0 3 317.351 4.034 20 30 DIEDHN C=C(C)[C@@H](NCCc1ccncc1C)c1ccc(F)c(F)c1 ZINC000563061197 333226187 /nfs/dbraw/zinc/22/61/87/333226187.db2.gz AHBDPBOGBBKYGR-GOSISDBHSA-N 0 3 302.368 4.118 20 30 DIEDHN C[C@@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000497388524 333244282 /nfs/dbraw/zinc/24/42/82/333244282.db2.gz UHPOJSAVKQNRLG-LIVBEALHSA-N 0 3 324.399 4.126 20 30 DIEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000320719343 335130439 /nfs/dbraw/zinc/13/04/39/335130439.db2.gz AJRJPLWSARVGOT-OAHLLOKOSA-N 0 3 301.393 4.266 20 30 DIEDHN Cc1ccc([C@@H]2CCCN2CCOc2ccccc2C#N)cc1 ZINC000497599596 333267773 /nfs/dbraw/zinc/26/77/73/333267773.db2.gz HLHQLWFEGLIPLF-IBGZPJMESA-N 0 3 306.409 4.083 20 30 DIEDHN C[C@H]1C[C@@H](NCC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739298 335130816 /nfs/dbraw/zinc/13/08/16/335130816.db2.gz HOVXBOIAPHYMJV-SMDDNHRTSA-N 0 3 319.246 4.281 20 30 DIEDHN CSc1ccccc1[C@@H](C)NCCOc1ccccc1C#N ZINC000501505285 333274714 /nfs/dbraw/zinc/27/47/14/333274714.db2.gz SPHLGHWNYJQNTF-CQSZACIVSA-N 0 3 312.438 4.010 20 30 DIEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccco1 ZINC000296440719 335144614 /nfs/dbraw/zinc/14/46/14/335144614.db2.gz MGVJTCUUWOUMTO-ZIFCJYIRSA-N 0 3 312.413 4.192 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000414166062 333916338 /nfs/dbraw/zinc/91/63/38/333916338.db2.gz NCABSDNKKDQRSB-LBPRGKRZSA-N 0 3 314.351 4.218 20 30 DIEDHN CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000414271339 333931389 /nfs/dbraw/zinc/93/13/89/333931389.db2.gz WJXPBKJAVQJCSO-MNOVXSKESA-N 0 3 302.315 4.327 20 30 DIEDHN N#CCOc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 ZINC000264562395 333958042 /nfs/dbraw/zinc/95/80/42/333958042.db2.gz OVPDWILLQLTVSI-HXUWFJFHSA-N 0 3 306.409 4.220 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002429 333978028 /nfs/dbraw/zinc/97/80/28/333978028.db2.gz CZMXBXYNERHZGH-BFUOFWGJSA-N 0 3 310.372 4.066 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506446 334001031 /nfs/dbraw/zinc/00/10/31/334001031.db2.gz WMJQAJDOKIFSNK-TZMCWYRMSA-N 0 3 317.845 4.094 20 30 DIEDHN CC(C)(C#N)CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270662402 334015303 /nfs/dbraw/zinc/01/53/03/334015303.db2.gz PENOPWOQPHHXQO-KRWDZBQOSA-N 0 3 320.864 4.025 20 30 DIEDHN C#CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000271710328 334025835 /nfs/dbraw/zinc/02/58/35/334025835.db2.gz OFVBHKFXMKKSLU-HXUWFJFHSA-N 0 3 302.421 4.342 20 30 DIEDHN N#CCOc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000271763318 334026554 /nfs/dbraw/zinc/02/65/54/334026554.db2.gz IBVFWFFYGCVDNO-UHFFFAOYSA-N 0 3 312.800 4.021 20 30 DIEDHN CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000272510330 334036182 /nfs/dbraw/zinc/03/61/82/334036182.db2.gz IUDSCWRVJLTOQR-UHFFFAOYSA-N 0 3 306.409 4.185 20 30 DIEDHN N#CCCCN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000272625465 334038353 /nfs/dbraw/zinc/03/83/53/334038353.db2.gz ZBVBLADQJOSXEL-QGZVFWFLSA-N 0 3 316.351 4.271 20 30 DIEDHN COc1ccc2oc([C@@H](C)NCCC(C)(C)C#N)c(C)c2c1 ZINC000273257806 334044773 /nfs/dbraw/zinc/04/47/73/334044773.db2.gz FIFISIVOGGRIJJ-CYBMUJFWSA-N 0 3 300.402 4.340 20 30 DIEDHN C[C@@H](CN(C)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000437584371 334053367 /nfs/dbraw/zinc/05/33/67/334053367.db2.gz ROMGSQRSRQCTFT-ZDUSSCGKSA-N 0 3 300.352 4.072 20 30 DIEDHN CCCCOc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000274574460 334063436 /nfs/dbraw/zinc/06/34/36/334063436.db2.gz BKYYMUHSFQLQCP-ZOBUZTSGSA-N 0 3 316.445 4.217 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000274584812 334063643 /nfs/dbraw/zinc/06/36/43/334063643.db2.gz DDKZYGZECQXLLK-XFBWCDHKSA-N 0 3 308.347 4.438 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278556525 334098100 /nfs/dbraw/zinc/09/81/00/334098100.db2.gz BEIDYLWNVPDJQD-ZDUSSCGKSA-N 0 3 310.363 4.262 20 30 DIEDHN CC[C@H](NCc1ccc(F)c(COC)c1)c1ccc(C#N)cc1 ZINC000278888128 334103000 /nfs/dbraw/zinc/10/30/00/334103000.db2.gz YKAFTAGGQBRRSI-IBGZPJMESA-N 0 3 312.388 4.085 20 30 DIEDHN COc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)ccc1OCC(C)C ZINC000281878241 334129257 /nfs/dbraw/zinc/12/92/57/334129257.db2.gz FXDVBOAHXLWCBZ-UXLLHSPISA-N 0 3 316.445 4.073 20 30 DIEDHN C[C@@H](c1cc(F)ccc1F)N(C)CCCC1(C#N)CCOCC1 ZINC000281916896 334129478 /nfs/dbraw/zinc/12/94/78/334129478.db2.gz GYFUPTRNJABPBH-AWEZNQCLSA-N 0 3 322.399 4.058 20 30 DIEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957298 334129913 /nfs/dbraw/zinc/12/99/13/334129913.db2.gz MOWIDRVHLBPQID-BQFCYCMXSA-N 0 3 321.424 4.003 20 30 DIEDHN CC[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000281976836 334130220 /nfs/dbraw/zinc/13/02/20/334130220.db2.gz LPNCPOSVJKBSEK-QGZVFWFLSA-N 0 3 322.399 4.106 20 30 DIEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1c(F)cccc1Cl ZINC000281999377 334130316 /nfs/dbraw/zinc/13/03/16/334130316.db2.gz NLTAEJKGWJYUMQ-ZDUSSCGKSA-N 0 3 324.827 4.230 20 30 DIEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1ccccc1Cl ZINC000281996943 334130430 /nfs/dbraw/zinc/13/04/30/334130430.db2.gz NFVSGUCPGKCHPD-AWEZNQCLSA-N 0 3 306.837 4.091 20 30 DIEDHN N#CCC[C@@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504285 334135295 /nfs/dbraw/zinc/13/52/95/334135295.db2.gz YKJDRRYAURZSLN-QFBILLFUSA-N 0 3 315.420 4.270 20 30 DIEDHN CC(C)CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccoc1 ZINC000286267449 334152438 /nfs/dbraw/zinc/15/24/38/334152438.db2.gz VFSOATUSLOVGCG-LJQANCHMSA-N 0 3 312.413 4.449 20 30 DIEDHN COC[C@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288773494 334162131 /nfs/dbraw/zinc/16/21/31/334162131.db2.gz JTXLRZUIYXDQKI-INIZCTEOSA-N 0 3 308.853 4.337 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289439472 334165378 /nfs/dbraw/zinc/16/53/78/334165378.db2.gz DOHWRAXXMIKUND-MOPGFXCFSA-N 0 3 324.468 4.021 20 30 DIEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445159 334203766 /nfs/dbraw/zinc/20/37/66/334203766.db2.gz LGSCEOTXCHREMV-JXFKEZNVSA-N 0 3 308.425 4.265 20 30 DIEDHN CCOc1ccc(Cl)cc1CCNCc1cc(C#N)cs1 ZINC000534467726 334225770 /nfs/dbraw/zinc/22/57/70/334225770.db2.gz NJAYRKIECNYMRF-UHFFFAOYSA-N 0 3 320.845 4.004 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000298360800 334247987 /nfs/dbraw/zinc/24/79/87/334247987.db2.gz FZCHTENOUHBGIF-IRXDYDNUSA-N 0 3 324.472 4.489 20 30 DIEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(N(C)CCC#N)cc1 ZINC000299364641 334255026 /nfs/dbraw/zinc/25/50/26/334255026.db2.gz WULGXEAFDABYLX-NRFANRHFSA-N 0 3 319.452 4.122 20 30 DIEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000299721965 334257523 /nfs/dbraw/zinc/25/75/23/334257523.db2.gz SNFBWQHBIOCWCW-CVEARBPZSA-N 0 3 309.413 4.003 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000187664177 334268777 /nfs/dbraw/zinc/26/87/77/334268777.db2.gz AXDJSIXDMMQYLU-HNNXBMFYSA-N 0 3 324.399 4.302 20 30 DIEDHN C[C@@H](NCc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000048818309 334301218 /nfs/dbraw/zinc/30/12/18/334301218.db2.gz FLDCJFAMCBURKF-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1cc(CN(C)C)ccc1C)c1ccccc1 ZINC000120521584 334317790 /nfs/dbraw/zinc/31/77/90/334317790.db2.gz KNTBAFVLBLRQNC-SFHVURJKSA-N 0 3 322.452 4.355 20 30 DIEDHN CCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303961999 334350414 /nfs/dbraw/zinc/35/04/14/334350414.db2.gz ZYWAUSYCEPUNDD-OALUTQOASA-N 0 3 312.457 4.118 20 30 DIEDHN C=CCSCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000541897496 334351979 /nfs/dbraw/zinc/35/19/79/334351979.db2.gz FDNSRKYDPKGPIR-CYBMUJFWSA-N 0 3 305.443 4.320 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCOc2ccccc21 ZINC000341694966 334471226 /nfs/dbraw/zinc/47/12/26/334471226.db2.gz AJHCUSJBHJNUQH-PMACEKPBSA-N 0 3 318.420 4.439 20 30 DIEDHN C=CCC[C@H](NCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341941926 334494753 /nfs/dbraw/zinc/49/47/53/334494753.db2.gz INOZAVBQIFWXSN-LNLFQRSKSA-N 0 3 314.473 4.073 20 30 DIEDHN COc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1OC(C)C ZINC000048710133 334742757 /nfs/dbraw/zinc/74/27/57/334742757.db2.gz UROBHUGIIBYVKV-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1cncc(F)c1)C1CC1 ZINC000417366872 334748349 /nfs/dbraw/zinc/74/83/49/334748349.db2.gz NXGONFFRPCATFQ-VQTJNVASSA-N 0 3 321.399 4.211 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373701 334764969 /nfs/dbraw/zinc/76/49/69/334764969.db2.gz XPGCCWQNJPZTBV-YWZLYKJASA-N 0 3 319.452 4.352 20 30 DIEDHN N#CCc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000343697298 335188801 /nfs/dbraw/zinc/18/88/01/335188801.db2.gz RWQGVOJFBWTAJJ-CTNGQTDRSA-N 0 3 320.436 4.010 20 30 DIEDHN CCC1(CC)[C@H](N[C@H](CCC#N)c2ccccc2)C[C@H]1OC ZINC000344328681 335240973 /nfs/dbraw/zinc/24/09/73/335240973.db2.gz LZXBNGCCOKFSJO-KZNAEPCWSA-N 0 3 300.446 4.215 20 30 DIEDHN CC(C)C[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345755730 335348451 /nfs/dbraw/zinc/34/84/51/335348451.db2.gz GMRPWZIKMSWVSR-SMDDNHRTSA-N 0 3 312.335 4.068 20 30 DIEDHN COCCCC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000348306442 335574812 /nfs/dbraw/zinc/57/48/12/335574812.db2.gz MAYHMXSFLQJWQS-HXUWFJFHSA-N 0 3 308.425 4.206 20 30 DIEDHN C=C(C)COc1cc(CN2CCCC3(CC3)C2)ccc1OC ZINC000351928960 336180292 /nfs/dbraw/zinc/18/02/92/336180292.db2.gz IGHHHMBLWUCSKG-UHFFFAOYSA-N 0 3 301.430 4.026 20 30 DIEDHN C[C@H]1C[C@H](C)N1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990399 336278161 /nfs/dbraw/zinc/27/81/61/336278161.db2.gz LTTICXOFRVWPNN-HOTGVXAUSA-N 0 3 306.409 4.120 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000192943062 336285528 /nfs/dbraw/zinc/28/55/28/336285528.db2.gz UQBUBWPEJVUKNC-FOIQADDNSA-N 0 3 306.409 4.317 20 30 DIEDHN COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988690 336286636 /nfs/dbraw/zinc/28/66/36/336286636.db2.gz USVSSVCNUYAUNQ-VBKZILBWSA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004389 336286962 /nfs/dbraw/zinc/28/69/62/336286962.db2.gz CDSMZAYXMJIUJK-QRWLVFNGSA-N 0 3 306.409 4.391 20 30 DIEDHN C=C(C)CN1CCC(Nc2cc3ccccc3c(Cl)n2)CC1 ZINC000301184309 336293835 /nfs/dbraw/zinc/29/38/35/336293835.db2.gz QYNSFOSTOOOLOK-UHFFFAOYSA-N 0 3 315.848 4.341 20 30 DIEDHN CN1CCC[C@@H](CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000301440155 336306883 /nfs/dbraw/zinc/30/68/83/336306883.db2.gz UADIMPCRMVWGID-MAUKXSAKSA-N 0 3 311.454 4.115 20 30 DIEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000514129703 336375031 /nfs/dbraw/zinc/37/50/31/336375031.db2.gz AHFAWTDPXGLNBC-MRXNPFEDSA-N 0 3 316.395 4.473 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000193093668 336396717 /nfs/dbraw/zinc/39/67/17/336396717.db2.gz OUGAYEQYTZOWFA-DOMZBBRYSA-N 0 3 319.246 4.110 20 30 DIEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)cc1Cl ZINC000111104742 336397710 /nfs/dbraw/zinc/39/77/10/336397710.db2.gz MKZPZTOTDAPQGS-MRXNPFEDSA-N 0 3 315.804 4.054 20 30 DIEDHN CC1CCC(OC2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000353515332 336421784 /nfs/dbraw/zinc/42/17/84/336421784.db2.gz DVHZMWAOWKZVSI-UHFFFAOYSA-N 0 3 312.457 4.118 20 30 DIEDHN C=CCC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000353660784 336432616 /nfs/dbraw/zinc/43/26/16/336432616.db2.gz OJFFUYANCUQKLL-IBGZPJMESA-N 0 3 306.409 4.364 20 30 DIEDHN CCc1nn(C)c(CC)c1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353911378 336447568 /nfs/dbraw/zinc/44/75/68/336447568.db2.gz BQWSTRJQABZCLH-IBGZPJMESA-N 0 3 324.472 4.070 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2ncccc2c1 ZINC000359027764 336654137 /nfs/dbraw/zinc/65/41/37/336654137.db2.gz HZKSEPONCKUEOA-OAQYLSRUSA-N 0 3 313.404 4.274 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(C2CCC2)s1 ZINC000418149443 336898080 /nfs/dbraw/zinc/89/80/80/336898080.db2.gz UXPCRXNZWPABKV-SFHVURJKSA-N 0 3 323.465 4.449 20 30 DIEDHN C=CCN(CC=C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000122266816 337000597 /nfs/dbraw/zinc/00/05/97/337000597.db2.gz HVEOFVRNOJTGLV-UHFFFAOYSA-N 0 3 300.446 4.005 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178178 337028988 /nfs/dbraw/zinc/02/89/88/337028988.db2.gz OJYCFSKEFNKVQW-KKSFZXQISA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@@H](N[C@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178177 337029075 /nfs/dbraw/zinc/02/90/75/337029075.db2.gz OJYCFSKEFNKVQW-IIBYNOLFSA-N 0 3 320.436 4.377 20 30 DIEDHN CC[C@H](c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000376738332 337040256 /nfs/dbraw/zinc/04/02/56/337040256.db2.gz DSMDUHOFZOBRHT-GOSISDBHSA-N 0 3 305.425 4.090 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377589744 337055724 /nfs/dbraw/zinc/05/57/24/337055724.db2.gz UBYAYAIZRPAEIJ-CWFSZBLJSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377589743 337055776 /nfs/dbraw/zinc/05/57/76/337055776.db2.gz UBYAYAIZRPAEIJ-CDHQVMDDSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377799366 337061327 /nfs/dbraw/zinc/06/13/27/337061327.db2.gz UBYAYAIZRPAEIJ-BEVDRBHNSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000177391288 337155771 /nfs/dbraw/zinc/15/57/71/337155771.db2.gz LCLPZTZFLBWZDC-HOTGVXAUSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OCC2CCCC2)CC1 ZINC000177481898 337156079 /nfs/dbraw/zinc/15/60/79/337156079.db2.gz LVVLUIUNICJNKW-MRXNPFEDSA-N 0 3 312.457 4.290 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000582991694 337223113 /nfs/dbraw/zinc/22/31/13/337223113.db2.gz AVKRUKCGTKEOEL-MJGOQNOKSA-N 0 3 319.493 4.047 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(N(C)CC)nc1)c1ccccc1 ZINC000191448659 337297128 /nfs/dbraw/zinc/29/71/28/337297128.db2.gz IKKMWYVUFZDASF-LJQANCHMSA-N 0 3 309.457 4.335 20 30 DIEDHN CC[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1C(F)(F)F ZINC000584501594 337350606 /nfs/dbraw/zinc/35/06/06/337350606.db2.gz KJLOBLFSZFVQLN-LLVKDONJSA-N 0 3 324.268 4.398 20 30 DIEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCC[C@@H]1C ZINC000120157509 337395491 /nfs/dbraw/zinc/39/54/91/337395491.db2.gz JVBGABZRKMIBJW-YOEHRIQHSA-N 0 3 324.428 4.009 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(C)nc2)cc1 ZINC000268764290 337635431 /nfs/dbraw/zinc/63/54/31/337635431.db2.gz IUBHRFJKLWBCTM-OAHLLOKOSA-N 0 3 316.832 4.372 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338960 337712879 /nfs/dbraw/zinc/71/28/79/337712879.db2.gz BDJSWVLLBDBEKJ-HXPMCKFVSA-N 0 3 309.388 4.008 20 30 DIEDHN Cc1cc(N)cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000423486108 337722415 /nfs/dbraw/zinc/72/24/15/337722415.db2.gz VXYDODOQPRFXMN-FQEVSTJZSA-N 0 3 305.425 4.006 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccn1)C1CCC1)CC2 ZINC000527962524 337780435 /nfs/dbraw/zinc/78/04/35/337780435.db2.gz FYHOFPTWDVMDAF-UYAOXDASSA-N 0 3 303.409 4.072 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000536874200 337788210 /nfs/dbraw/zinc/78/82/10/337788210.db2.gz CMJPXRIDECKXGX-GFCCVEGCSA-N 0 3 309.356 4.469 20 30 DIEDHN CCOc1ccc([C@@H](CC)N[C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424316756 337819903 /nfs/dbraw/zinc/81/99/03/337819903.db2.gz BIJTYVNQJIIOAP-USXIJHARSA-N 0 3 316.445 4.217 20 30 DIEDHN Cc1cc(Br)cc2c1[C@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424322249 337820437 /nfs/dbraw/zinc/82/04/37/337820437.db2.gz IFVFHCWBEKPXBX-NILFDRSVSA-N 0 3 319.246 4.027 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000118396427 337850495 /nfs/dbraw/zinc/85/04/95/337850495.db2.gz VHAFEEPRPRZDSM-OAHLLOKOSA-N 0 3 323.415 4.335 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000537156252 337901835 /nfs/dbraw/zinc/90/18/35/337901835.db2.gz BUUSHHHAFFYADC-GOSISDBHSA-N 0 3 312.388 4.061 20 30 DIEDHN C[C@H](NCc1cc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000537406195 337933566 /nfs/dbraw/zinc/93/35/66/337933566.db2.gz DTJRHOHOVBNNHP-LBPRGKRZSA-N 0 3 314.429 4.488 20 30 DIEDHN COCCSc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000537413542 337934214 /nfs/dbraw/zinc/93/42/14/337934214.db2.gz NLGIZGFGNPOHRK-AWEZNQCLSA-N 0 3 306.475 4.016 20 30 DIEDHN C=CCC[C@@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311432 338026251 /nfs/dbraw/zinc/02/62/51/338026251.db2.gz NSOXZFXXNLWTBF-DOTOQJQBSA-N 0 3 314.404 4.295 20 30 DIEDHN C=CCOc1ccccc1CN(C)Cc1cccc2[nH]ccc21 ZINC000426375673 338029486 /nfs/dbraw/zinc/02/94/86/338029486.db2.gz GGCHCMHJOJVCES-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN FC(F)(F)c1ccc(C#CCN(C2CCC2)C2CCC2)cc1 ZINC000429114983 338071041 /nfs/dbraw/zinc/07/10/41/338071041.db2.gz MPCNNNPDQOXKNF-UHFFFAOYSA-N 0 3 307.359 4.464 20 30 DIEDHN N#CCC1(CNCc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000430008210 338093251 /nfs/dbraw/zinc/09/32/51/338093251.db2.gz VGGCMIWSZDMIPT-UHFFFAOYSA-N 0 3 310.372 4.401 20 30 DIEDHN N#CCC1(CNCc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000430041745 338094300 /nfs/dbraw/zinc/09/43/00/338094300.db2.gz WMAYPHUDTTZBRW-UHFFFAOYSA-N 0 3 300.402 4.338 20 30 DIEDHN N#CCC1(CNCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000430065267 338094822 /nfs/dbraw/zinc/09/48/22/338094822.db2.gz GUVHXSJCPONOKN-UHFFFAOYSA-N 0 3 302.727 4.142 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCC3)s1 ZINC000430611078 338109840 /nfs/dbraw/zinc/10/98/40/338109840.db2.gz MYOOBDQTEDXGSJ-OAHLLOKOSA-N 0 3 324.449 4.419 20 30 DIEDHN COc1cccc(C[C@H](NCC2(CC#N)CC2)c2ccccc2)c1 ZINC000430720714 338112249 /nfs/dbraw/zinc/11/22/49/338112249.db2.gz AQPPFJFFHYGASM-FQEVSTJZSA-N 0 3 320.436 4.262 20 30 DIEDHN CC(C)CCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430740771 338112984 /nfs/dbraw/zinc/11/29/84/338112984.db2.gz KVFHVBBIOUFHIP-MRXNPFEDSA-N 0 3 300.446 4.456 20 30 DIEDHN N#CCC1(CN[C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000430761381 338114102 /nfs/dbraw/zinc/11/41/02/338114102.db2.gz LWRSRONNMJYSOB-HNNXBMFYSA-N 0 3 319.246 4.110 20 30 DIEDHN N#CCC1(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000430762011 338114158 /nfs/dbraw/zinc/11/41/58/338114158.db2.gz NNFRAOCFXBSVIZ-OAHLLOKOSA-N 0 3 323.465 4.471 20 30 DIEDHN Cc1cccc2c1CN(Cc1cccc(OCCCC#N)c1)CC2 ZINC000433046236 338178192 /nfs/dbraw/zinc/17/81/92/338178192.db2.gz TZECTLRPGRFVBG-UHFFFAOYSA-N 0 3 320.436 4.236 20 30 DIEDHN CCc1ccc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433101592 338181998 /nfs/dbraw/zinc/18/19/98/338181998.db2.gz DWGIMWJBRKFJAE-OXQOHEQNSA-N 0 3 320.436 4.199 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1cccs1)C1CC1 ZINC000433217696 338186219 /nfs/dbraw/zinc/18/62/19/338186219.db2.gz BQHDKPFENMBPRC-INIZCTEOSA-N 0 3 324.449 4.012 20 30 DIEDHN CN(CCC1CCCCC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433343633 338193467 /nfs/dbraw/zinc/19/34/67/338193467.db2.gz OPVUBORKDZQTCV-LJQANCHMSA-N 0 3 312.457 4.188 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(Cl)c1Cl ZINC000435731461 338246622 /nfs/dbraw/zinc/24/66/22/338246622.db2.gz LSMVBNIBWKQIHG-IUODEOHRSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cccc1Cl ZINC000435735447 338246899 /nfs/dbraw/zinc/24/68/99/338246899.db2.gz MYLFWGVMFKPSTP-IAQYHMDHSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cccc1Cl ZINC000435735446 338246952 /nfs/dbraw/zinc/24/69/52/338246952.db2.gz MYLFWGVMFKPSTP-ABAIWWIYSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000435738267 338247065 /nfs/dbraw/zinc/24/70/65/338247065.db2.gz QERHRTBCLFLLMY-LRDDRELGSA-N 0 3 305.805 4.157 20 30 DIEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)s1 ZINC000435744446 338247535 /nfs/dbraw/zinc/24/75/35/338247535.db2.gz XMRSXLOUYQIGML-IAGOWNOFSA-N 0 3 306.475 4.083 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000437095921 338300560 /nfs/dbraw/zinc/30/05/60/338300560.db2.gz XYJHRTOOVKGHLI-QMTHXVAHSA-N 0 3 302.315 4.325 20 30 DIEDHN Cc1cc(F)ccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155919878 338319614 /nfs/dbraw/zinc/31/96/14/338319614.db2.gz INTYKIXKUVEXOL-ZDUSSCGKSA-N 0 3 322.261 4.038 20 30 DIEDHN COc1cc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)ccc1C#N ZINC000440633436 338393347 /nfs/dbraw/zinc/39/33/47/338393347.db2.gz DZAFEVKIDWSWIT-BTYIYWSLSA-N 0 3 320.436 4.370 20 30 DIEDHN COc1cc(CN[C@H](c2ccccc2)C2CCC2)ccc1C#N ZINC000440818675 338398158 /nfs/dbraw/zinc/39/81/58/338398158.db2.gz ANADHYQCCMGMTH-HXUWFJFHSA-N 0 3 306.409 4.198 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000442781860 338430847 /nfs/dbraw/zinc/43/08/47/338430847.db2.gz KEGKICQFSKWUMG-AEFFLSMTSA-N 0 3 306.409 4.014 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790757 338431572 /nfs/dbraw/zinc/43/15/72/338431572.db2.gz HNCALPRWOKIYRC-UWVAXJGDSA-N 0 3 308.400 4.391 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796260 338432179 /nfs/dbraw/zinc/43/21/79/338432179.db2.gz VSIITXGINKSLIG-LDQXTDLNSA-N 0 3 320.436 4.375 20 30 DIEDHN COc1cc(CN2CCC(c3ccsc3)CC2)ccc1C#N ZINC000442833858 338433928 /nfs/dbraw/zinc/43/39/28/338433928.db2.gz JCJNREWJOIBLJI-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN N#C[C@H]1CC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873022 338437023 /nfs/dbraw/zinc/43/70/23/338437023.db2.gz OKYMXMMGVDMVDY-WFASDCNBSA-N 0 3 308.347 4.366 20 30 DIEDHN Cc1cc(Br)cc(C)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000447529638 338554426 /nfs/dbraw/zinc/55/44/26/338554426.db2.gz MIUOIRFYZFRDHL-HIFRSBDPSA-N 0 3 321.262 4.238 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447532833 338554806 /nfs/dbraw/zinc/55/48/06/338554806.db2.gz VSDKQSJOUXCUDA-IBGZPJMESA-N 0 3 306.409 4.364 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2cc[nH]c21 ZINC000447569824 338557614 /nfs/dbraw/zinc/55/76/14/338557614.db2.gz DPZVHHHZVZGEMI-IBGZPJMESA-N 0 3 301.393 4.207 20 30 DIEDHN CC(C)COC[C@@H](NC1CCC(C)(C#N)CC1)c1ccco1 ZINC000449104795 338593955 /nfs/dbraw/zinc/59/39/55/338593955.db2.gz BKMZTBKJUFMTCI-UPTPFMHGSA-N 0 3 304.434 4.055 20 30 DIEDHN C=CCCCC[C@H](C)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000449224101 338603963 /nfs/dbraw/zinc/60/39/63/338603963.db2.gz ZSXIRLAVYWMDDH-DOTOQJQBSA-N 0 3 300.450 4.151 20 30 DIEDHN N#Cc1ccc(CNC2CC(c3cc(F)cc(F)c3)C2)cc1F ZINC000449736739 338649243 /nfs/dbraw/zinc/64/92/43/338649243.db2.gz OBGCYLNHCFZHSL-UHFFFAOYSA-N 0 3 316.326 4.011 20 30 DIEDHN C[C@H](CCCc1cccnc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000453195091 338805950 /nfs/dbraw/zinc/80/59/50/338805950.db2.gz OWEGCSXBAMMQEE-HUUCEWRRSA-N 0 3 311.404 4.154 20 30 DIEDHN C[C@@H](NCC(C)(C)CCC#N)c1ncc(-c2ccccc2)n1C ZINC000453224563 338810433 /nfs/dbraw/zinc/81/04/33/338810433.db2.gz MAKWLAXLLKBOTB-OAHLLOKOSA-N 0 3 310.445 4.068 20 30 DIEDHN C=CCC[C@@H](CO)N[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453358733 338830997 /nfs/dbraw/zinc/83/09/97/338830997.db2.gz OQOJZZNJYCRGAL-FZMZJTMJSA-N 0 3 322.499 4.158 20 30 DIEDHN COc1ccc(-c2ccccc2C)cc1CNCC1(CC#N)CC1 ZINC000459502480 339032941 /nfs/dbraw/zinc/03/29/41/339032941.db2.gz AOSAPOHZTXKFET-UHFFFAOYSA-N 0 3 320.436 4.454 20 30 DIEDHN C=C(CC)CNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459566075 339036251 /nfs/dbraw/zinc/03/62/51/339036251.db2.gz VTIDHNHRWDFSFL-UHFFFAOYSA-N 0 3 310.445 4.116 20 30 DIEDHN N#CCCCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459584446 339037252 /nfs/dbraw/zinc/03/72/52/339037252.db2.gz AXLOQBSVXBAEEO-INIZCTEOSA-N 0 3 316.836 4.437 20 30 DIEDHN CC(C)c1nn(-c2ccccc2)cc1CNCC(C)(C)CC#N ZINC000459661232 339041313 /nfs/dbraw/zinc/04/13/13/339041313.db2.gz AZPLWBTWPXKUQB-UHFFFAOYSA-N 0 3 310.445 4.025 20 30 DIEDHN CC(C)(CC#N)CNCc1cc(Br)c(Cl)s1 ZINC000459734527 339045169 /nfs/dbraw/zinc/04/51/69/339045169.db2.gz RRZMQXCDBFHNLW-UHFFFAOYSA-N 0 3 321.671 4.193 20 30 DIEDHN C=CCOc1cccc(CNC[C@H](C)Oc2ccc(C)cc2)c1 ZINC000462737668 339085866 /nfs/dbraw/zinc/08/58/66/339085866.db2.gz JRAFIFYDWILQFX-KRWDZBQOSA-N 0 3 311.425 4.117 20 30 DIEDHN CCCOc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000463280681 339113060 /nfs/dbraw/zinc/11/30/60/339113060.db2.gz ISOZOGKYPKPEQO-UXLLHSPISA-N 0 3 316.445 4.217 20 30 DIEDHN CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000463280615 339113075 /nfs/dbraw/zinc/11/30/75/339113075.db2.gz DVKINKGZNBBYPA-LZLYRXPVSA-N 0 3 315.461 4.067 20 30 DIEDHN CCCOc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000463280682 339113101 /nfs/dbraw/zinc/11/31/01/339113101.db2.gz ISOZOGKYPKPEQO-YQQAZPJKSA-N 0 3 316.445 4.217 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000463288303 339113509 /nfs/dbraw/zinc/11/35/09/339113509.db2.gz BSQVBOCHUKGHDQ-PXNSSMCTSA-N 0 3 320.436 4.438 20 30 DIEDHN N#Cc1cccc(CCNCc2ccc(Cl)cc2Cl)c1 ZINC000466412124 339203275 /nfs/dbraw/zinc/20/32/75/339203275.db2.gz LISSROIQERSMCC-UHFFFAOYSA-N 0 3 305.208 4.197 20 30 DIEDHN C[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191911 339227722 /nfs/dbraw/zinc/22/77/22/339227722.db2.gz RMZIJBZTJIMRMS-GOEBONIOSA-N 0 3 316.420 4.230 20 30 DIEDHN C=CCCN(C)Cc1cc(Br)ccc1OC(F)F ZINC000467297344 339230264 /nfs/dbraw/zinc/23/02/64/339230264.db2.gz NXNSRDYXWLVHGI-UHFFFAOYSA-N 0 3 320.177 4.058 20 30 DIEDHN CC(C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467681227 339244366 /nfs/dbraw/zinc/24/43/66/339244366.db2.gz PRTAYRCFGBHVMU-LRDDRELGSA-N 0 3 304.821 4.189 20 30 DIEDHN C=CCC(CC=C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000467840723 339247389 /nfs/dbraw/zinc/24/73/89/339247389.db2.gz WLLHYDILWLTIRU-INIZCTEOSA-N 0 3 314.473 4.000 20 30 DIEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(F)c(C#N)c1 ZINC000468270793 339258303 /nfs/dbraw/zinc/25/83/03/339258303.db2.gz QICCBSKYJAGZTH-GUYCJALGSA-N 0 3 312.363 4.214 20 30 DIEDHN CCC[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000469442732 339289330 /nfs/dbraw/zinc/28/93/30/339289330.db2.gz MQZQXBFWGLRAFY-PMACEKPBSA-N 0 3 320.436 4.417 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469458713 339290225 /nfs/dbraw/zinc/29/02/25/339290225.db2.gz JKBIQCMXFPOYMH-CJNGLKHVSA-N 0 3 312.363 4.387 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)s1)c1cccc(Cl)c1F ZINC000469561722 339293273 /nfs/dbraw/zinc/29/32/73/339293273.db2.gz GFQWZGDDNZKPEX-UHFFFAOYSA-N 0 3 322.836 4.480 20 30 DIEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000469778064 339299224 /nfs/dbraw/zinc/29/92/24/339299224.db2.gz YHIQKEQJPRXXCF-JKSUJKDBSA-N 0 3 308.878 4.366 20 30 DIEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(C#N)c1 ZINC000470180588 339313199 /nfs/dbraw/zinc/31/31/99/339313199.db2.gz PREZNIZURMNLQB-DHDCSXOGSA-N 0 3 321.380 4.002 20 30 DIEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1C(C)(C)C#N ZINC000470955837 339332980 /nfs/dbraw/zinc/33/29/80/339332980.db2.gz OYWAYXJIIXVFRF-GXTWGEPZSA-N 0 3 310.363 4.260 20 30 DIEDHN CC(C)Oc1ccc2ccccc2c1CN[C@H]1CC[C@H](C#N)C1 ZINC000472136870 339363915 /nfs/dbraw/zinc/36/39/15/339363915.db2.gz QZMCKTVKSHUMNL-RDJZCZTQSA-N 0 3 308.425 4.409 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000472137997 339364046 /nfs/dbraw/zinc/36/40/46/339364046.db2.gz ICJXLVFQCBAMPR-QWHCGFSZSA-N 0 3 323.421 4.338 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145082 339364169 /nfs/dbraw/zinc/36/41/69/339364169.db2.gz ASTGCWYERQTXQR-AEFFLSMTSA-N 0 3 324.399 4.187 20 30 DIEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473520439 339386754 /nfs/dbraw/zinc/38/67/54/339386754.db2.gz PIDCHNXQINJMQU-WFASDCNBSA-N 0 3 324.346 4.309 20 30 DIEDHN C=CCN1CCC(NC(=O)N(CCCCC)[C@H](C)CCC)CC1 ZINC000476043951 339467805 /nfs/dbraw/zinc/46/78/05/339467805.db2.gz TVOLIJZWVANADO-QGZVFWFLSA-N 0 3 323.525 4.027 20 30 DIEDHN Cc1cccc([C@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000481777645 339613955 /nfs/dbraw/zinc/61/39/55/339613955.db2.gz JYIMLGLPJKXWCD-KRWDZBQOSA-N 0 3 320.436 4.471 20 30 DIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2ncsc2c1 ZINC000485803526 339713143 /nfs/dbraw/zinc/71/31/43/339713143.db2.gz OQAKQNYWBXITTO-NSHDSACASA-N 0 3 311.385 4.158 20 30 DIEDHN Cc1cc(CN2CCC(OCC3CCCC3)CC2)ccc1C#N ZINC000488200064 339773109 /nfs/dbraw/zinc/77/31/09/339773109.db2.gz RBBVXXIWEQSKQO-UHFFFAOYSA-N 0 3 312.457 4.038 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc(C#N)cs1 ZINC000497100407 340020262 /nfs/dbraw/zinc/02/02/62/340020262.db2.gz SXXWPPNAOINQAP-MEDUHNTESA-N 0 3 320.845 4.139 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C#N)cs1 ZINC000497100405 340020264 /nfs/dbraw/zinc/02/02/64/340020264.db2.gz SXXWPPNAOINQAP-BDJLRTHQSA-N 0 3 320.845 4.139 20 30 DIEDHN COc1cccc(C2(F)CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000500151351 340051402 /nfs/dbraw/zinc/05/14/02/340051402.db2.gz FRBOQBUKWFJCMC-UHFFFAOYSA-N 0 3 324.399 4.028 20 30 DIEDHN C[C@@]1(c2ccccc2)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000500184752 340052398 /nfs/dbraw/zinc/05/23/98/340052398.db2.gz WMLLYELGHRTASW-HXUWFJFHSA-N 0 3 308.400 4.251 20 30 DIEDHN Cc1ccc(C[C@@H]2CCCN2Cc2ccc(C#N)cc2F)cc1 ZINC000500234578 340053630 /nfs/dbraw/zinc/05/36/30/340053630.db2.gz XFJUKZCIWRBOCD-IBGZPJMESA-N 0 3 308.400 4.213 20 30 DIEDHN CSc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000500238940 340053864 /nfs/dbraw/zinc/05/38/64/340053864.db2.gz SGBOISDMLDKRIP-AWEZNQCLSA-N 0 3 312.438 4.010 20 30 DIEDHN CC(C)OC[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000500371798 340055903 /nfs/dbraw/zinc/05/59/03/340055903.db2.gz MXYNNEFOZFPQCS-INIZCTEOSA-N 0 3 308.425 4.128 20 30 DIEDHN COc1cc(C#N)ccc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000501236817 340076881 /nfs/dbraw/zinc/07/68/81/340076881.db2.gz HCNCAZIMFOZAFW-FQEVSTJZSA-N 0 3 318.420 4.219 20 30 DIEDHN C=CCCc1ccccc1NC1CCN(Cc2ccncc2)CC1 ZINC000502321378 340099734 /nfs/dbraw/zinc/09/97/34/340099734.db2.gz NSVPYJGHTFNMMK-UHFFFAOYSA-N 0 3 321.468 4.277 20 30 DIEDHN CC[C@@H]1C[C@@]1(NCc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512780 340106640 /nfs/dbraw/zinc/10/66/40/340106640.db2.gz SEHMRDZVUYUWDW-CTNGQTDRSA-N 0 3 304.437 4.476 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000502551291 340107544 /nfs/dbraw/zinc/10/75/44/340107544.db2.gz MXTGBDZRDKLXSH-LJQANCHMSA-N 0 3 312.388 4.193 20 30 DIEDHN C[C@H]1C[C@]1(NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381063 340126889 /nfs/dbraw/zinc/12/68/89/340126889.db2.gz ZLPATRIVZPNHGN-IFXJQAMLSA-N 0 3 310.828 4.431 20 30 DIEDHN C=C(CNCc1c[nH]nc1-c1cccc(C)c1)c1ccccc1 ZINC000504034880 340139937 /nfs/dbraw/zinc/13/99/37/340139937.db2.gz OPYLDCPRGNLHAW-UHFFFAOYSA-N 0 3 303.409 4.188 20 30 DIEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000505448400 340168788 /nfs/dbraw/zinc/16/87/88/340168788.db2.gz ZGWFWHHSDCYZQC-YSGRDPCXSA-N 0 3 318.420 4.124 20 30 DIEDHN CC1(C#N)CCN(CCCSc2ccccc2Cl)CC1 ZINC000506030921 340183795 /nfs/dbraw/zinc/18/37/95/340183795.db2.gz JHLQUPHKLHALAH-UHFFFAOYSA-N 0 3 308.878 4.448 20 30 DIEDHN C=CCOc1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000506259483 340190332 /nfs/dbraw/zinc/19/03/32/340190332.db2.gz QUMHEEMPRJGMMU-UHFFFAOYSA-N 0 3 321.420 4.246 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC000507246809 340215400 /nfs/dbraw/zinc/21/54/00/340215400.db2.gz KTLMAHOHUFHKAP-UHFFFAOYSA-N 0 3 316.404 4.352 20 30 DIEDHN CCN(CCOc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507687224 340228246 /nfs/dbraw/zinc/22/82/46/340228246.db2.gz FRQJZJKJXCDXEV-KRWDZBQOSA-N 0 3 308.425 4.329 20 30 DIEDHN Cc1ccc(C)c(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507819577 340233193 /nfs/dbraw/zinc/23/31/93/340233193.db2.gz VBPJNDYDYZNDDI-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN CCN(Cc1cc(F)cc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508622448 340248526 /nfs/dbraw/zinc/24/85/26/340248526.db2.gz XNAQAMHEMWTJNG-CYBMUJFWSA-N 0 3 300.352 4.420 20 30 DIEDHN N#Cc1ccc(CN(CCc2ccccc2F)C2CCCC2)o1 ZINC000508717261 340251378 /nfs/dbraw/zinc/25/13/78/340251378.db2.gz IHYQMMLPNYAAKK-UHFFFAOYSA-N 0 3 312.388 4.278 20 30 DIEDHN C=C(C)CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000509006189 340257858 /nfs/dbraw/zinc/25/78/58/340257858.db2.gz IIOFYKQRBRFVMA-LLVKDONJSA-N 0 3 304.381 4.308 20 30 DIEDHN N#Cc1ccc(CN(CCCCF)Cc2cccc(F)c2)cc1 ZINC000509385068 340267965 /nfs/dbraw/zinc/26/79/65/340267965.db2.gz GXGBFBUJNMMDQA-UHFFFAOYSA-N 0 3 314.379 4.449 20 30 DIEDHN COCc1ccccc1/C=C(\C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000509796908 340279388 /nfs/dbraw/zinc/27/93/88/340279388.db2.gz DUFDAORHXBFKEZ-MOKGIYGOSA-N 0 3 320.436 4.459 20 30 DIEDHN CCCc1ccc([C@@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510360522 340296912 /nfs/dbraw/zinc/29/69/12/340296912.db2.gz HGKULQNVZGUZRY-CXAGYDPISA-N 0 3 312.438 4.066 20 30 DIEDHN CCCc1ccc([C@@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510360525 340296918 /nfs/dbraw/zinc/29/69/18/340296918.db2.gz HGKULQNVZGUZRY-SUMWQHHRSA-N 0 3 312.438 4.066 20 30 DIEDHN CC(C)c1ccc([C@@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510384260 340297374 /nfs/dbraw/zinc/29/73/74/340297374.db2.gz JYDVLRBGRGNIEF-SUMWQHHRSA-N 0 3 312.438 4.237 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC=C(c2ccco2)C1 ZINC000511107638 340320899 /nfs/dbraw/zinc/32/08/99/340320899.db2.gz LELHDVNARGYCKD-UHFFFAOYSA-N 0 3 306.409 4.370 20 30 DIEDHN C[C@@H](NCCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512293978 340355921 /nfs/dbraw/zinc/35/59/21/340355921.db2.gz HFRRPLFENRKULP-SNVBAGLBSA-N 0 3 322.305 4.008 20 30 DIEDHN C=C(C)CN(CCc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512434259 340361658 /nfs/dbraw/zinc/36/16/58/340361658.db2.gz VLQDBXDUYWVPRB-UHFFFAOYSA-N 0 3 319.832 4.046 20 30 DIEDHN CCC(CC)[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000512614236 340369065 /nfs/dbraw/zinc/36/90/65/340369065.db2.gz VHEPZDRJJSKOGG-UGSOOPFHSA-N 0 3 306.425 4.189 20 30 DIEDHN C[C@@H](NCCc1ccc2ccccc2n1)c1ccc(C#N)cc1F ZINC000512620265 340369392 /nfs/dbraw/zinc/36/93/92/340369392.db2.gz PQDZZGICHZCWAR-CQSZACIVSA-N 0 3 319.383 4.139 20 30 DIEDHN C[C@H](NCCc1cc2ccccc2o1)c1ccc(C#N)cc1F ZINC000512641166 340370486 /nfs/dbraw/zinc/37/04/86/340370486.db2.gz DSVNRTWUADZTJG-ZDUSSCGKSA-N 0 3 308.356 4.337 20 30 DIEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641266 340370495 /nfs/dbraw/zinc/37/04/95/340370495.db2.gz FPYVKFUFWPFSQB-NEPJUHHUSA-N 0 3 318.342 4.430 20 30 DIEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642069 340370647 /nfs/dbraw/zinc/37/06/47/340370647.db2.gz MGTKCMUFRDRLOT-FSPWUOQZSA-N 0 3 316.420 4.086 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646668 340370721 /nfs/dbraw/zinc/37/07/21/340370721.db2.gz CCGANDMGKBYSTI-NQYLQCIDSA-N 0 3 324.399 4.126 20 30 DIEDHN C[C@@H](NCC1(c2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512647646 340370732 /nfs/dbraw/zinc/37/07/32/340370732.db2.gz IZBXHWBVXOYBKA-OAHLLOKOSA-N 0 3 308.400 4.470 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646669 340370740 /nfs/dbraw/zinc/37/07/40/340370740.db2.gz CCGANDMGKBYSTI-VHFSOBRXSA-N 0 3 324.399 4.126 20 30 DIEDHN CCOCCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000512648655 340370870 /nfs/dbraw/zinc/37/08/70/340370870.db2.gz ODQFPUAYDHWWIM-HNNXBMFYSA-N 0 3 318.436 4.335 20 30 DIEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652776 340371128 /nfs/dbraw/zinc/37/11/28/340371128.db2.gz BJUXPAXPGMYBLT-DOTOQJQBSA-N 0 3 323.415 4.017 20 30 DIEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000513018430 340388802 /nfs/dbraw/zinc/38/88/02/340388802.db2.gz YOYYSHJKRIAADU-QGZVFWFLSA-N 0 3 302.805 4.334 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(OCCC)c2)cc1 ZINC000513060968 340391415 /nfs/dbraw/zinc/39/14/15/340391415.db2.gz FDEFHLBXWPIXSO-UHFFFAOYSA-N 0 3 311.425 4.330 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc2n[nH]cc2c1 ZINC000513222095 340398048 /nfs/dbraw/zinc/39/80/48/340398048.db2.gz GEFURHYMJLCERV-CQSZACIVSA-N 0 3 318.424 4.215 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc2n[nH]cc2c1 ZINC000513222093 340398162 /nfs/dbraw/zinc/39/81/62/340398162.db2.gz GEFURHYMJLCERV-AWEZNQCLSA-N 0 3 318.424 4.215 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(Br)s1 ZINC000309858633 340433996 /nfs/dbraw/zinc/43/39/96/340433996.db2.gz LOHSWEFDVLWHMI-SECBINFHSA-N 0 3 301.253 4.101 20 30 DIEDHN C=CCSCCN[C@H](C)c1ccc(Br)cc1F ZINC000219184198 340502949 /nfs/dbraw/zinc/50/29/49/340502949.db2.gz KCSXTPCAJWXUQB-SNVBAGLBSA-N 0 3 318.255 4.158 20 30 DIEDHN C=CCC[C@@H](C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000186636044 340514980 /nfs/dbraw/zinc/51/49/80/340514980.db2.gz ROKDBEZLZPAIIL-HXUWFJFHSA-N 0 3 322.452 4.437 20 30 DIEDHN C=CC[C@@H](C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000186635917 340515057 /nfs/dbraw/zinc/51/50/57/340515057.db2.gz FSDFAWPSQXIXAN-LJQANCHMSA-N 0 3 308.425 4.047 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000190336388 340544403 /nfs/dbraw/zinc/54/44/03/340544403.db2.gz RSQHWOQRGRETJN-UHFFFAOYSA-N 0 3 322.330 4.237 20 30 DIEDHN C=C[C@@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229689425 340614802 /nfs/dbraw/zinc/61/48/02/340614802.db2.gz GIJGBILAKRISPT-MRVPVSSYSA-N 0 3 324.140 4.012 20 30 DIEDHN C=CCC[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000538257152 340815255 /nfs/dbraw/zinc/81/52/55/340815255.db2.gz GWRIMQDIRSYOJG-HNNXBMFYSA-N 0 3 313.363 4.001 20 30 DIEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000538407399 340821562 /nfs/dbraw/zinc/82/15/62/340821562.db2.gz YMIWGLDKLAAWOS-ZIAGYGMSSA-N 0 3 314.816 4.330 20 30 DIEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000540604942 340938186 /nfs/dbraw/zinc/93/81/86/340938186.db2.gz DTDDQAXYWSQQJL-NJSLBKSFSA-N 0 3 312.388 4.124 20 30 DIEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000540609663 340938740 /nfs/dbraw/zinc/93/87/40/340938740.db2.gz WIFWBPQPCBRNSA-TYILLQQXSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](NCc1ccn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019349 340993456 /nfs/dbraw/zinc/99/34/56/340993456.db2.gz BRYIFCUGGQPAFF-MRXNPFEDSA-N 0 3 315.420 4.415 20 30 DIEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000542211673 341000455 /nfs/dbraw/zinc/00/04/55/341000455.db2.gz KNWQJSZIXBYPHY-ZDUSSCGKSA-N 0 3 300.352 4.224 20 30 DIEDHN C=C(C)CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000542518172 341011811 /nfs/dbraw/zinc/01/18/11/341011811.db2.gz OTSOLDGTPGQVAE-KRWDZBQOSA-N 0 3 308.416 4.046 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000543182586 341035714 /nfs/dbraw/zinc/03/57/14/341035714.db2.gz VHRLXMGDJUCMFC-CYBMUJFWSA-N 0 3 316.351 4.205 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000543185234 341035828 /nfs/dbraw/zinc/03/58/28/341035828.db2.gz WIWRRBQKCPMVBL-HXUWFJFHSA-N 0 3 308.425 4.248 20 30 DIEDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(CC#N)CC1 ZINC000543811887 341060145 /nfs/dbraw/zinc/06/01/45/341060145.db2.gz XOUFUSWCOZCMRT-LBPRGKRZSA-N 0 3 312.335 4.272 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc3c2CCC3)s1 ZINC000564276582 341075530 /nfs/dbraw/zinc/07/55/30/341075530.db2.gz BTIFULBBTHEBNT-OAHLLOKOSA-N 0 3 324.449 4.419 20 30 DIEDHN CC(C)n1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000544470949 341083654 /nfs/dbraw/zinc/08/36/54/341083654.db2.gz OOPGWRXAYKOZPM-OAHLLOKOSA-N 0 3 310.445 4.116 20 30 DIEDHN C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000074314516 341143352 /nfs/dbraw/zinc/14/33/52/341143352.db2.gz RCWBFJYIVIMHND-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN C=CCSCCNCc1ccc(-c2ccccc2OC)cc1 ZINC000237323700 341211676 /nfs/dbraw/zinc/21/16/76/341211676.db2.gz VMSLYHPLQDUGOB-UHFFFAOYSA-N 0 3 313.466 4.371 20 30 DIEDHN C=CC[C@@H](C)NCc1cc(Br)ccc1OCCC ZINC000134748499 341223166 /nfs/dbraw/zinc/22/31/66/341223166.db2.gz GDMMQYADPMMWOC-GFCCVEGCSA-N 0 3 312.251 4.292 20 30 DIEDHN Cc1cccc2nc(C3CCN(CCC(C)(C)C#N)CC3)oc21 ZINC000547750359 341230314 /nfs/dbraw/zinc/23/03/14/341230314.db2.gz MAKWAVMNKIZAIZ-UHFFFAOYSA-N 0 3 311.429 4.256 20 30 DIEDHN CCC[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488191 341263570 /nfs/dbraw/zinc/26/35/70/341263570.db2.gz YNRWPVCWHQATGA-NVXWUHKLSA-N 0 3 324.428 4.057 20 30 DIEDHN COc1ccccc1[C@@H](CC(C)C)NCc1cccc(C#N)c1 ZINC000080206371 341270840 /nfs/dbraw/zinc/27/08/40/341270840.db2.gz QDJRRTHWLYYXNC-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN CSc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549169495 341287758 /nfs/dbraw/zinc/28/77/58/341287758.db2.gz ZINNBYHYCCQRMR-CQSZACIVSA-N 0 3 312.438 4.010 20 30 DIEDHN N#C[C@H]1CC[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000549616168 341299087 /nfs/dbraw/zinc/29/90/87/341299087.db2.gz DDKZYGZECQXLLK-KNXALSJPSA-N 0 3 308.347 4.438 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000549673726 341300329 /nfs/dbraw/zinc/30/03/29/341300329.db2.gz XDILKEVPNVFVRF-CJNGLKHVSA-N 0 3 306.812 4.293 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709692 341301052 /nfs/dbraw/zinc/30/10/52/341301052.db2.gz NGPNRAVQYFITDE-DIOULYMOSA-N 0 3 324.346 4.318 20 30 DIEDHN C[C@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000551222390 341334235 /nfs/dbraw/zinc/33/42/35/341334235.db2.gz KRDQVYANYZTGSG-NUTKFTJISA-N 0 3 312.363 4.433 20 30 DIEDHN C=CCC[C@H](NC[C@@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032929 341363305 /nfs/dbraw/zinc/36/33/05/341363305.db2.gz CVOCUWTZTAQYEG-HKUYNNGSSA-N 0 3 310.441 4.403 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043697 341364422 /nfs/dbraw/zinc/36/44/22/341364422.db2.gz ZGZDWSIOZILEEC-CRAIPNDOSA-N 0 3 315.413 4.353 20 30 DIEDHN Cn1cc(CNCc2ccc(C3CCCCC3)cc2)cc1C#N ZINC000552060899 341366139 /nfs/dbraw/zinc/36/61/39/341366139.db2.gz OODWXRGHQCIWOZ-UHFFFAOYSA-N 0 3 307.441 4.234 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000248990049 341391422 /nfs/dbraw/zinc/39/14/22/341391422.db2.gz NCQHZQYDVSUGSF-YWPYICTPSA-N 0 3 307.235 4.182 20 30 DIEDHN C[C@@H]1C[C@H]1[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000249580105 341399507 /nfs/dbraw/zinc/39/95/07/341399507.db2.gz NATCBFHYKFBTPV-PJSAGSTRSA-N 0 3 313.832 4.037 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccnc2ccccc12 ZINC000552956857 341410542 /nfs/dbraw/zinc/41/05/42/341410542.db2.gz UZMLYCJDBHPPJJ-OAQYLSRUSA-N 0 3 313.404 4.274 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000554264919 341448021 /nfs/dbraw/zinc/44/80/21/341448021.db2.gz VFUGVEAWHZIYMJ-NSHDSACASA-N 0 3 300.324 4.176 20 30 DIEDHN C=CC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000093359284 341469321 /nfs/dbraw/zinc/46/93/21/341469321.db2.gz NEQHHOLWDWVSNL-UHFFFAOYSA-N 0 3 308.425 4.059 20 30 DIEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000554982556 341471421 /nfs/dbraw/zinc/47/14/21/341471421.db2.gz PDHSONLQIZKZOU-CWVNLOTRSA-N 0 3 324.399 4.050 20 30 DIEDHN N#Cc1cccc(CNCc2cc(Cl)cc3cccnc32)c1 ZINC000155811716 341613524 /nfs/dbraw/zinc/61/35/24/341613524.db2.gz HTGSFWNAHDJPDR-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN Cc1cc2c(cc1C)[C@@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000568748206 341680313 /nfs/dbraw/zinc/68/03/13/341680313.db2.gz BJQXRMOBLGDVLD-FQEVSTJZSA-N 0 3 320.436 4.373 20 30 DIEDHN CC(C)n1cc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813167 341864264 /nfs/dbraw/zinc/86/42/64/341864264.db2.gz MRKBSTGWMCLXAD-FOIQADDNSA-N 0 3 322.456 4.454 20 30 DIEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000577665937 341928075 /nfs/dbraw/zinc/92/80/75/341928075.db2.gz KBUJNTUAVNUWFJ-SVIJTADQSA-N 0 3 324.399 4.050 20 30 DIEDHN CC[C@H](C)[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546143 522008431 /nfs/dbraw/zinc/00/84/31/522008431.db2.gz RNHLXMAPBJJPOZ-WMLDXEAASA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@H](NCc1ccc(-c2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000365666634 525433608 /nfs/dbraw/zinc/43/36/08/525433608.db2.gz HVUSYHNGMCMJMR-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000174429649 525444687 /nfs/dbraw/zinc/44/46/87/525444687.db2.gz YVAXDCITRINXHI-INIZCTEOSA-N 0 3 305.425 4.009 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622831 525546219 /nfs/dbraw/zinc/54/62/19/525546219.db2.gz WDAZUMWUAROFIM-YSSFQJQWSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430737 525626545 /nfs/dbraw/zinc/62/65/45/525626545.db2.gz RNSDFNXGZRKEAO-UTKZUKDTSA-N 0 3 319.452 4.046 20 30 DIEDHN C[C@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715775 526097141 /nfs/dbraw/zinc/09/71/41/526097141.db2.gz NYXUKJQSAKWZJM-MRXNPFEDSA-N 0 3 306.409 4.163 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000035253678 1035644539 /nfs/dbraw/zinc/64/45/39/1035644539.db2.gz YCXUDFPHKSGIRD-LLVKDONJSA-N 0 3 306.818 4.155 20 30 DIEDHN Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)c(C)s1 ZINC000035253028 1035645429 /nfs/dbraw/zinc/64/54/29/1035645429.db2.gz FZENJUIYDYCFMT-CYBMUJFWSA-N 0 3 300.427 4.118 20 30 DIEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@H]1c1ccccc1 ZINC000610216061 1035749409 /nfs/dbraw/zinc/74/94/09/1035749409.db2.gz HSNPSYBRRSJMBE-BEFAXECRSA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 ZINC000610216141 1035752900 /nfs/dbraw/zinc/75/29/00/1035752900.db2.gz OOFOINNVWMBWLE-KXBFYZLASA-N 0 3 308.400 4.323 20 30 DIEDHN N#Cc1ccc(CCCN2CCc3ccc(Cl)cc3C2)cc1 ZINC001208860059 1035890461 /nfs/dbraw/zinc/89/04/61/1035890461.db2.gz GYCAVERFWJOVBT-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)s1 ZINC000176972525 1036524790 /nfs/dbraw/zinc/52/47/90/1036524790.db2.gz SCOUJMDQWKZUBS-BZNIZROVSA-N 0 3 320.845 4.139 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC(C)C ZINC000610345178 1036839858 /nfs/dbraw/zinc/83/98/58/1036839858.db2.gz XAXIYDNMGXWXMO-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN COc1ccc([C@H](NCc2cc(C#N)cs2)C(C)C)cc1 ZINC000177682081 1036854131 /nfs/dbraw/zinc/85/41/31/1036854131.db2.gz SACCIFGTKGYODW-QGZVFWFLSA-N 0 3 300.427 4.115 20 30 DIEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC#Cc1ccc(F)cc1 ZINC001167433965 1037293318 /nfs/dbraw/zinc/29/33/18/1037293318.db2.gz QBUNVPVNJAILAS-YJBOKZPZSA-N 0 3 311.375 4.194 20 30 DIEDHN CN(CCOc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000064951993 1037307629 /nfs/dbraw/zinc/30/76/29/1037307629.db2.gz SXVUQBRIDCIMIN-UHFFFAOYSA-N 0 3 316.404 4.222 20 30 DIEDHN N#CCC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000255912600 1037378534 /nfs/dbraw/zinc/37/85/34/1037378534.db2.gz XQLSMDXJZXLZGU-RLGIIYIFSA-N 0 3 321.380 4.243 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096403 1037512731 /nfs/dbraw/zinc/51/27/31/1037512731.db2.gz DSWXIJYQQRSZEK-SCLBCKFNSA-N 0 3 324.449 4.455 20 30 DIEDHN CCN([C@H](C)c1ccc(C#N)cc1)[C@H](C)c1cnc(C)nc1C ZINC000602442951 1038009253 /nfs/dbraw/zinc/00/92/53/1038009253.db2.gz CYYDKXDDXFTMGB-HUUCEWRRSA-N 0 3 308.429 4.109 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153805 1038026343 /nfs/dbraw/zinc/02/63/43/1038026343.db2.gz LEFIOUKTVXHADF-HZPDHXFCSA-N 0 3 302.368 4.136 20 30 DIEDHN CC[C@H](NC[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602560995 1038037507 /nfs/dbraw/zinc/03/75/07/1038037507.db2.gz PFOOSHJNDJWCRV-UWVGGRQHSA-N 0 3 305.369 4.142 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC000891577245 1038047976 /nfs/dbraw/zinc/04/79/76/1038047976.db2.gz AMXKLRMHTCVEFZ-AWEZNQCLSA-N 0 3 323.421 4.141 20 30 DIEDHN Cn1c(CNC2(c3ccc(C#N)cc3)CCC2)cc2ccccc21 ZINC000602708364 1038076496 /nfs/dbraw/zinc/07/64/96/1038076496.db2.gz GHEFYDCAEMBXIZ-UHFFFAOYSA-N 0 3 315.420 4.219 20 30 DIEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1OCC(C)C ZINC000602802959 1038089112 /nfs/dbraw/zinc/08/91/12/1038089112.db2.gz STYSDRRKAVJWJK-HNNXBMFYSA-N 0 3 316.445 4.074 20 30 DIEDHN C[C@@H](c1ccccc1F)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911145 1038106470 /nfs/dbraw/zinc/10/64/70/1038106470.db2.gz XLXOGAGQEAZIAW-AWEZNQCLSA-N 0 3 309.388 4.033 20 30 DIEDHN N#CCOc1ccc(CNCc2csc3ccccc23)cc1 ZINC000061048691 1038182884 /nfs/dbraw/zinc/18/28/84/1038182884.db2.gz AMKJUJXVHLNVBH-UHFFFAOYSA-N 0 3 308.406 4.093 20 30 DIEDHN C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787929 1038212486 /nfs/dbraw/zinc/21/24/86/1038212486.db2.gz RZWAXDWAMKNMHW-KBPBESRZSA-N 0 3 315.417 4.141 20 30 DIEDHN N#Cc1csc(CNCc2ccccc2CC(F)(F)F)c1 ZINC000599014584 1038218035 /nfs/dbraw/zinc/21/80/35/1038218035.db2.gz CMXUIZLGMABXOS-UHFFFAOYSA-N 0 3 310.344 4.014 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682973 1038224575 /nfs/dbraw/zinc/22/45/75/1038224575.db2.gz KLXBRULJBXSZSJ-BFUOFWGJSA-N 0 3 324.399 4.434 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2c1cccc2F ZINC000341700036 1038234383 /nfs/dbraw/zinc/23/43/83/1038234383.db2.gz SPDPOJVNKRXVLY-PMACEKPBSA-N 0 3 306.384 4.352 20 30 DIEDHN C=CCc1cc(CNC(C)(C)c2ccccc2)cc(OC)c1O ZINC000603511750 1038235437 /nfs/dbraw/zinc/23/54/37/1038235437.db2.gz VSFYWDBTVYPSJO-UHFFFAOYSA-N 0 3 311.425 4.154 20 30 DIEDHN CC(C)n1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706811 1038237586 /nfs/dbraw/zinc/23/75/86/1038237586.db2.gz IEWLIKWLVDTSEG-KUHUBIRLSA-N 0 3 308.429 4.064 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341711618 1038239817 /nfs/dbraw/zinc/23/98/17/1038239817.db2.gz OVKJAJZAMHMCJE-HXUWFJFHSA-N 0 3 318.420 4.290 20 30 DIEDHN N#CC(C(=O)c1coc2ccccc12)c1ccc2ccccc2n1 ZINC000603627764 1038256229 /nfs/dbraw/zinc/25/62/29/1038256229.db2.gz PGZALIJCOJRZFN-HNNXBMFYSA-N 0 3 312.328 4.471 20 30 DIEDHN C=C(CN[C@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000684552490 1038256799 /nfs/dbraw/zinc/25/67/99/1038256799.db2.gz RCTJLATXDQNBTN-CYBMUJFWSA-N 0 3 317.230 4.208 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756049 1038261467 /nfs/dbraw/zinc/26/14/67/1038261467.db2.gz BSPIOOTVLLDMMM-FZKQIMNGSA-N 0 3 320.392 4.015 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC000599327815 1038268179 /nfs/dbraw/zinc/26/81/79/1038268179.db2.gz LTZAYEOFPSSLOE-KRWDZBQOSA-N 0 3 311.454 4.141 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000761335243 1038269077 /nfs/dbraw/zinc/26/90/77/1038269077.db2.gz PPPIZCDNARUUEI-GOSISDBHSA-N 0 3 300.352 4.323 20 30 DIEDHN Cc1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)cc1C#N ZINC000599347310 1038271604 /nfs/dbraw/zinc/27/16/04/1038271604.db2.gz GMDQYVAUSQJTDU-CYBMUJFWSA-N 0 3 316.351 4.319 20 30 DIEDHN COc1ccc(CN(Cc2ccco2)C2CCCC2)cc1C#N ZINC000610991798 1038419810 /nfs/dbraw/zinc/41/98/10/1038419810.db2.gz KGKXUUNJRVXHNA-UHFFFAOYSA-N 0 3 310.397 4.105 20 30 DIEDHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507575 1038477513 /nfs/dbraw/zinc/47/75/13/1038477513.db2.gz NZKNXUQWISLPEI-SGTLLEGYSA-N 0 3 310.372 4.044 20 30 DIEDHN CC1(C)CCCN(Cc2cc(C#N)ccc2Br)CC1 ZINC001167529817 1038551087 /nfs/dbraw/zinc/55/10/87/1038551087.db2.gz SBFLSPBWBZZOIZ-UHFFFAOYSA-N 0 3 321.262 4.333 20 30 DIEDHN Cc1cccnc1[C@H](NCc1ccc(C#N)cc1C)C(C)(C)C ZINC000934287600 1038578933 /nfs/dbraw/zinc/57/89/33/1038578933.db2.gz FITJSDFCSPQPTF-IBGZPJMESA-N 0 3 307.441 4.447 20 30 DIEDHN N#Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)ccc1F ZINC000119953670 1038604362 /nfs/dbraw/zinc/60/43/62/1038604362.db2.gz CHOLKSFGGCPESV-IBGZPJMESA-N 0 3 312.363 4.467 20 30 DIEDHN N#CC(C(=O)CCCc1csc2ccccc12)c1ccccn1 ZINC000119953286 1038604762 /nfs/dbraw/zinc/60/47/62/1038604762.db2.gz RKJRLDQFEDEYSO-INIZCTEOSA-N 0 3 320.417 4.495 20 30 DIEDHN N#Cc1ccc(C2(NCc3ccc(Cl)s3)CCC2)cc1 ZINC000594033316 1038623409 /nfs/dbraw/zinc/62/34/09/1038623409.db2.gz ZIPBQMYKHWOTOQ-UHFFFAOYSA-N 0 3 302.830 4.442 20 30 DIEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1C ZINC000594036166 1038632445 /nfs/dbraw/zinc/63/24/45/1038632445.db2.gz YSDZKPCEASXDLW-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000540707637 1038635106 /nfs/dbraw/zinc/63/51/06/1038635106.db2.gz LOTZEADNSDWDQJ-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000606902297 1038638130 /nfs/dbraw/zinc/63/81/30/1038638130.db2.gz ZYKIVNCMSPEZBF-HNNXBMFYSA-N 0 3 322.880 4.195 20 30 DIEDHN C=CCC[C@@H](O)CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC001167597894 1038754585 /nfs/dbraw/zinc/75/45/85/1038754585.db2.gz APCXIZGWAGAGMY-QGZVFWFLSA-N 0 3 309.400 4.037 20 30 DIEDHN C#CCOc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000237848540 1039041473 /nfs/dbraw/zinc/04/14/73/1039041473.db2.gz JUNNXRJAUBPTJH-UHFFFAOYSA-N 0 3 319.326 4.007 20 30 DIEDHN C=CCCC[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000091509480 1039049587 /nfs/dbraw/zinc/04/95/87/1039049587.db2.gz TYGWNGXTXDIQCV-QGZVFWFLSA-N 0 3 302.462 4.227 20 30 DIEDHN COc1cccc(C2=CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442675027 1039111740 /nfs/dbraw/zinc/11/17/40/1039111740.db2.gz AYJSUFYJMPKTGT-MRXNPFEDSA-N 0 3 318.420 4.417 20 30 DIEDHN C=C(Br)CNC1CC(c2ccc(Cl)cc2)C1 ZINC000154180005 1039168159 /nfs/dbraw/zinc/16/81/59/1039168159.db2.gz DONATXYFVAWQFC-UHFFFAOYSA-N 0 3 300.627 4.084 20 30 DIEDHN COc1ccc(CN(Cc2ccccc2C)C2CC2)cc1C#N ZINC000535410312 1039209519 /nfs/dbraw/zinc/20/95/19/1039209519.db2.gz SHXZTBCRAYMOOW-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN CC[C@@H](CSc1ccc(C)c(C)c1)NCc1ccc(C#N)o1 ZINC000539527966 1039284777 /nfs/dbraw/zinc/28/47/77/1039284777.db2.gz FEEVLRUXGVCZDE-HNNXBMFYSA-N 0 3 314.454 4.429 20 30 DIEDHN CC(C)(C#N)CCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000539569664 1039293731 /nfs/dbraw/zinc/29/37/31/1039293731.db2.gz MYOLJAQCHDEHRC-ZDUSSCGKSA-N 0 3 308.828 4.426 20 30 DIEDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251742 1039324562 /nfs/dbraw/zinc/32/45/62/1039324562.db2.gz MQBJMKSHDKCPTO-DJJJIMSYSA-N 0 3 321.380 4.195 20 30 DIEDHN C=CCN(Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000540056258 1039412259 /nfs/dbraw/zinc/41/22/59/1039412259.db2.gz PKZFMAJAIZOVMN-UHFFFAOYSA-N 0 3 303.409 4.152 20 30 DIEDHN CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C#N)CCC#N ZINC000583688819 1039425360 /nfs/dbraw/zinc/42/53/60/1039425360.db2.gz FQHVMZAUKDUGPG-SWLSCSKDSA-N 0 3 324.255 4.348 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](c1ccccc1C)C(C)C ZINC000540362957 1039483505 /nfs/dbraw/zinc/48/35/05/1039483505.db2.gz PWGDQBFIQHEQGS-FQEVSTJZSA-N 0 3 308.425 4.362 20 30 DIEDHN C=CCN(CCCCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000151302655 1039539573 /nfs/dbraw/zinc/53/95/73/1039539573.db2.gz ALUCJYIIAOKAHW-UHFFFAOYSA-N 0 3 316.323 4.315 20 30 DIEDHN C[C@@H](NC[C@H](C#N)CCC#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000159104726 1039626986 /nfs/dbraw/zinc/62/69/86/1039626986.db2.gz NNQCTWFIWZZMOD-MJBXVCDLSA-N 0 3 323.362 4.231 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1ccc(SC)c(OC)c1 ZINC000491328465 1039766357 /nfs/dbraw/zinc/76/63/57/1039766357.db2.gz HRDGWCVLMJFWAF-UHFFFAOYSA-N 0 3 317.454 4.241 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(OC(F)F)c1 ZINC000491402566 1039842265 /nfs/dbraw/zinc/84/22/65/1039842265.db2.gz URCORZWKCJNKTO-ZDUSSCGKSA-N 0 3 316.351 4.353 20 30 DIEDHN Cc1cc(CNCc2cccc(COC(C)(C)C)c2)ccc1C#N ZINC000443966683 1039986778 /nfs/dbraw/zinc/98/67/78/1039986778.db2.gz LRZKFPKECQQTEZ-UHFFFAOYSA-N 0 3 322.452 4.472 20 30 DIEDHN CSCc1cc(F)ccc1CNCc1ccc(C#N)c(C)c1 ZINC000443985521 1040007086 /nfs/dbraw/zinc/00/70/86/1040007086.db2.gz HKFVXYFXFYAWPW-UHFFFAOYSA-N 0 3 314.429 4.159 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C(F)(F)F)cs1 ZINC000657889008 1040036301 /nfs/dbraw/zinc/03/63/01/1040036301.db2.gz OZOMJBNBNDEHQH-MNOVXSKESA-N 0 3 304.381 4.386 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)CC(C)(C)c1ccccc1 ZINC000685442328 1040050019 /nfs/dbraw/zinc/05/00/19/1040050019.db2.gz CROHIGZCAHPAFX-UHFFFAOYSA-N 0 3 313.441 4.128 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(COC(C)(C)C)on1 ZINC000657982109 1040247936 /nfs/dbraw/zinc/24/79/36/1040247936.db2.gz UYDRPZJTKCEVBN-PBHICJAKSA-N 0 3 306.450 4.214 20 30 DIEDHN CCN(CC)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccco1 ZINC000255631218 1040270777 /nfs/dbraw/zinc/27/07/77/1040270777.db2.gz OAGJCFSMDHRGSF-VUQQOUJSSA-N 0 3 320.820 4.141 20 30 DIEDHN COc1ccccc1[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000612073320 1040328736 /nfs/dbraw/zinc/32/87/36/1040328736.db2.gz MEOMWFVDBNDEIU-FQEVSTJZSA-N 0 3 320.436 4.488 20 30 DIEDHN C=CCOCCCN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000658207208 1040354768 /nfs/dbraw/zinc/35/47/68/1040354768.db2.gz SOXFWTPPKNUCPT-ZDUSSCGKSA-N 0 3 320.433 4.193 20 30 DIEDHN COc1cccc(C2CCN(Cc3cc(C#N)cs3)CC2)c1 ZINC000179801293 1040532718 /nfs/dbraw/zinc/53/27/18/1040532718.db2.gz RZDRERJLYLMTBQ-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000065959502 1040626926 /nfs/dbraw/zinc/62/69/26/1040626926.db2.gz WVDVIFUTFMBPFU-UHFFFAOYSA-N 0 3 310.397 4.134 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccccc1OC(F)(F)F ZINC000414160717 1040942330 /nfs/dbraw/zinc/94/23/30/1040942330.db2.gz DKMJTZZOYNEMPU-LLVKDONJSA-N 0 3 300.324 4.176 20 30 DIEDHN N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000180334813 1041132666 /nfs/dbraw/zinc/13/26/66/1041132666.db2.gz DGQXNANJSNNYOL-UHFFFAOYSA-N 0 3 314.388 4.221 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OCCC)c(OC)c2)cc1 ZINC000809605726 1041192452 /nfs/dbraw/zinc/19/24/52/1041192452.db2.gz GZIBVBAGTARCLO-INIZCTEOSA-N 0 3 323.436 4.316 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(C(F)(F)F)cc2C)cc1 ZINC000809650727 1041211855 /nfs/dbraw/zinc/21/18/55/1041211855.db2.gz KRMZYTOSKGWBDG-UHFFFAOYSA-N 0 3 303.327 4.285 20 30 DIEDHN C#Cc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000809663768 1041222233 /nfs/dbraw/zinc/22/22/33/1041222233.db2.gz USURCGABTXHPNY-INIZCTEOSA-N 0 3 307.359 4.222 20 30 DIEDHN COc1ccc(CNCc2ccc3sccc3c2)cc1C#N ZINC000810160181 1041328804 /nfs/dbraw/zinc/32/88/04/1041328804.db2.gz XBMXWWMCHGPOPG-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN C=C(CN[C@@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810214112 1041338021 /nfs/dbraw/zinc/33/80/21/1041338021.db2.gz OSZQWGFEZJZBPZ-ZDUSSCGKSA-N 0 3 317.230 4.208 20 30 DIEDHN C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccc(C#N)cc1 ZINC000103340132 1041358858 /nfs/dbraw/zinc/35/88/58/1041358858.db2.gz HZRSRFMWKIOTNT-AWEZNQCLSA-N 0 3 306.409 4.123 20 30 DIEDHN C#C[C@H](NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811516680 1041530170 /nfs/dbraw/zinc/53/01/70/1041530170.db2.gz SSFIBKWZKGKPIA-FQEVSTJZSA-N 0 3 324.855 4.273 20 30 DIEDHN C#C[C@@H](NC1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811516681 1041531081 /nfs/dbraw/zinc/53/10/81/1041531081.db2.gz SSFIBKWZKGKPIA-HXUWFJFHSA-N 0 3 324.855 4.273 20 30 DIEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000728766974 1041632993 /nfs/dbraw/zinc/63/29/93/1041632993.db2.gz RAJBLRQMHBYUQO-DGCLKSJQSA-N 0 3 316.451 4.046 20 30 DIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(CCC#N)cc1 ZINC001170681519 1041635544 /nfs/dbraw/zinc/63/55/44/1041635544.db2.gz HGAHXPJEDLVHJH-HNNXBMFYSA-N 0 3 316.408 4.015 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2ccc(O)cc21 ZINC000417367747 1041665434 /nfs/dbraw/zinc/66/54/34/1041665434.db2.gz PGMAQQJGXANJCH-RTWAWAEBSA-N 0 3 318.420 4.308 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNC(C)(C)c1cccc(C#N)c1 ZINC000930930210 1041704782 /nfs/dbraw/zinc/70/47/82/1041704782.db2.gz CWYMBWVYZOFREL-UHFFFAOYSA-N 0 3 303.409 4.072 20 30 DIEDHN C=C(C)CCN[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000561850993 1041802508 /nfs/dbraw/zinc/80/25/08/1041802508.db2.gz HLFDQUNDZWSRQC-FQEVSTJZSA-N 0 3 311.425 4.349 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc([C@H](C)OCC)n1 ZINC000661118156 1041889515 /nfs/dbraw/zinc/88/95/15/1041889515.db2.gz XBLUYSIXUDKYTA-SQWLQELKSA-N 0 3 308.491 4.465 20 30 DIEDHN CC(C)(C)c1csc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000815031974 1041907259 /nfs/dbraw/zinc/90/72/59/1041907259.db2.gz MFSMQYICNSMDPZ-HIFRSBDPSA-N 0 3 317.502 4.312 20 30 DIEDHN C=CC[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378533 1041929140 /nfs/dbraw/zinc/92/91/40/1041929140.db2.gz IGMXRVDSMVNOQU-HOTGVXAUSA-N 0 3 311.429 4.394 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000661379872 1041929615 /nfs/dbraw/zinc/92/96/15/1041929615.db2.gz BSXPSHHFQBFPKT-MRXNPFEDSA-N 0 3 309.413 4.057 20 30 DIEDHN C#CCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595797 1041970717 /nfs/dbraw/zinc/97/07/17/1041970717.db2.gz BRQHCXNJOZUJKR-FQEVSTJZSA-N 0 3 307.437 4.459 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC2CCC1CC2)c1ccc2ccccc2n1 ZINC000815899137 1042001250 /nfs/dbraw/zinc/00/12/50/1042001250.db2.gz GTRYHDFDYLILKQ-MMADZMRASA-N 0 3 304.393 4.237 20 30 DIEDHN C=CCC1(NCc2nnc(-c3ccccc3Cl)o2)CCCC1 ZINC000661851012 1042006246 /nfs/dbraw/zinc/00/62/46/1042006246.db2.gz MJEVCMIHKFHUEQ-UHFFFAOYSA-N 0 3 317.820 4.369 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000662079328 1042058080 /nfs/dbraw/zinc/05/80/80/1042058080.db2.gz JYFRPBQSJCPKMV-IYBDPMFKSA-N 0 3 310.397 4.033 20 30 DIEDHN CC(C)c1ccc(C2(O)CCC(NCC(C)(C)C#N)CC2)cc1 ZINC000816568708 1042069044 /nfs/dbraw/zinc/06/90/44/1042069044.db2.gz OCEFNXBSEVSNEK-UHFFFAOYSA-N 0 3 314.473 4.080 20 30 DIEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000585767190 1042245595 /nfs/dbraw/zinc/24/55/95/1042245595.db2.gz JSFLGLBJOBKRGX-LSDHHAIUSA-N 0 3 310.363 4.481 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(C#N)cc2OC)C(C)C)cc1 ZINC000182053235 1042264710 /nfs/dbraw/zinc/26/47/10/1042264710.db2.gz XLZUEUQGDPHIBE-FQEVSTJZSA-N 0 3 324.424 4.062 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000618562632 1042273105 /nfs/dbraw/zinc/27/31/05/1042273105.db2.gz SNNCMJDPRNGUCP-NVXWUHKLSA-N 0 3 307.397 4.046 20 30 DIEDHN C=CCCC[C@H](C)N[C@H](C)c1ncc(Br)cc1F ZINC000187422381 1042352841 /nfs/dbraw/zinc/35/28/41/1042352841.db2.gz ZEPZSQUCEKTOFL-WDEREUQCSA-N 0 3 315.230 4.379 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236829793 1042371934 /nfs/dbraw/zinc/37/19/34/1042371934.db2.gz VQHWRPNTZHUCAU-MRXNPFEDSA-N 0 3 324.424 4.056 20 30 DIEDHN N#Cc1cccc(CNCc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000067120245 1042417434 /nfs/dbraw/zinc/41/74/34/1042417434.db2.gz TVEPETMEKNNPMG-UHFFFAOYSA-N 0 3 322.742 4.103 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685025 1042420466 /nfs/dbraw/zinc/42/04/66/1042420466.db2.gz NLHXCKFUGSCNHI-CABCVRRESA-N 0 3 324.380 4.019 20 30 DIEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178509 1042422698 /nfs/dbraw/zinc/42/26/98/1042422698.db2.gz IULKSNLXEBDMFX-IBGZPJMESA-N 0 3 307.441 4.466 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000614179715 1042423572 /nfs/dbraw/zinc/42/35/72/1042423572.db2.gz ZRUFGUHSGPMQKF-CQSZACIVSA-N 0 3 323.396 4.247 20 30 DIEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC1(C#N)CCCCC1 ZINC000411542236 1042456523 /nfs/dbraw/zinc/45/65/23/1042456523.db2.gz IRZRNVKCENRZEA-HNNXBMFYSA-N 0 3 316.493 4.461 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc2ncsc2c1 ZINC000614409969 1042492843 /nfs/dbraw/zinc/49/28/43/1042492843.db2.gz GQYZEXGLISVCTF-ZDUSSCGKSA-N 0 3 307.422 4.327 20 30 DIEDHN CC(C)c1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1 ZINC000729267133 1042517023 /nfs/dbraw/zinc/51/70/23/1042517023.db2.gz KCFXIISXCYCZQY-UHFFFAOYSA-N 0 3 308.425 4.344 20 30 DIEDHN CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C)cc1[O-] ZINC000280156243 1042566071 /nfs/dbraw/zinc/56/60/71/1042566071.db2.gz QLAYEIWKQHOUNC-SFHVURJKSA-N 0 3 306.409 4.302 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618805977 1042611958 /nfs/dbraw/zinc/61/19/58/1042611958.db2.gz LNESQDKWDDVCKA-DJJJIMSYSA-N 0 3 321.380 4.113 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3c(Cl)cccc32)s1 ZINC000421871753 1042661480 /nfs/dbraw/zinc/66/14/80/1042661480.db2.gz GECCYSIYBLQCGN-INIZCTEOSA-N 0 3 302.830 4.440 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000517042842 1042864385 /nfs/dbraw/zinc/86/43/85/1042864385.db2.gz DYHKGUMQRXMJHS-OAHLLOKOSA-N 0 3 308.347 4.113 20 30 DIEDHN CCN(Cc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000119992582 1042990205 /nfs/dbraw/zinc/99/02/05/1042990205.db2.gz CTHQTFAOSKJRIO-UHFFFAOYSA-N 0 3 314.454 4.453 20 30 DIEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(CCOc2ccccc2C#N)C1 ZINC000441320843 1043035281 /nfs/dbraw/zinc/03/52/81/1043035281.db2.gz DATMMZVDALCQTI-DNVCBOLYSA-N 0 3 324.399 4.159 20 30 DIEDHN CCCOCc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000173956831 1043057666 /nfs/dbraw/zinc/05/76/66/1043057666.db2.gz ILVGFZLNHBONOA-MRXNPFEDSA-N 0 3 308.425 4.336 20 30 DIEDHN N#CCC1(CN[C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866351667 1043185820 /nfs/dbraw/zinc/18/58/20/1043185820.db2.gz RMIZRFZTXHCCGY-IBGZPJMESA-N 0 3 305.425 4.039 20 30 DIEDHN CCCC[C@H]1CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698576 1043189381 /nfs/dbraw/zinc/18/93/81/1043189381.db2.gz RXMYFLXPHRRMPT-RDJZCZTQSA-N 0 3 324.428 4.057 20 30 DIEDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000866539240 1043219280 /nfs/dbraw/zinc/21/92/80/1043219280.db2.gz ABWWPVIYTZCGOW-QGZVFWFLSA-N 0 3 309.369 4.016 20 30 DIEDHN C[C@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000866610491 1043234201 /nfs/dbraw/zinc/23/42/01/1043234201.db2.gz UJNGZYMJTVKURO-PSOPSSQASA-N 0 3 312.310 4.245 20 30 DIEDHN CCSc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000614638152 1043250742 /nfs/dbraw/zinc/25/07/42/1043250742.db2.gz CPKOJAPWRKUQSX-SFHVURJKSA-N 0 3 323.465 4.232 20 30 DIEDHN C=C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000179008501 1043265866 /nfs/dbraw/zinc/26/58/66/1043265866.db2.gz NOZNPXMXLSATSN-HOCLYGCPSA-N 0 3 316.360 4.364 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881699 1043341362 /nfs/dbraw/zinc/34/13/62/1043341362.db2.gz AZIZIZSACHCMBZ-KDOFPFPSSA-N 0 3 324.424 4.377 20 30 DIEDHN CCOc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000442779281 1043416155 /nfs/dbraw/zinc/41/61/55/1043416155.db2.gz LTBBFSXYILSDJB-NBHGPNQESA-N 0 3 320.436 4.457 20 30 DIEDHN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(CC#N)cc1 ZINC000558173907 1043451064 /nfs/dbraw/zinc/45/10/64/1043451064.db2.gz BNHSMZWPBOXJGC-IBGZPJMESA-N 0 3 308.425 4.344 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C(F)(F)F)CC2 ZINC000558497273 1043521104 /nfs/dbraw/zinc/52/11/04/1043521104.db2.gz NHFIFBQEZUYOPF-KRWDZBQOSA-N 0 3 316.326 4.354 20 30 DIEDHN CC(C)Cc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000895215886 1043566657 /nfs/dbraw/zinc/56/66/57/1043566657.db2.gz RWVHRRYFGHWTGX-UHFFFAOYSA-N 0 3 319.452 4.321 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344477 1043567254 /nfs/dbraw/zinc/56/72/54/1043567254.db2.gz WTHOIHZITAUBOH-JBACZVJFSA-N 0 3 322.452 4.050 20 30 DIEDHN C=CCCCN[C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000443465505 1043568911 /nfs/dbraw/zinc/56/89/11/1043568911.db2.gz XOIWFENJLLGJBV-HXUWFJFHSA-N 0 3 311.425 4.349 20 30 DIEDHN C=CCCCN(C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000353696737 1043634115 /nfs/dbraw/zinc/63/41/15/1043634115.db2.gz BNEGINAMNQHMIB-UHFFFAOYSA-N 0 3 301.409 4.026 20 30 DIEDHN N#CCCC[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000353910861 1043658147 /nfs/dbraw/zinc/65/81/47/1043658147.db2.gz AIVBCWZDFOSMEM-SFHVURJKSA-N 0 3 300.352 4.490 20 30 DIEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(Br)cc1 ZINC000051814322 1043668735 /nfs/dbraw/zinc/66/87/35/1043668735.db2.gz XLFIMIAKEMMBSS-AWEZNQCLSA-N 0 3 314.226 4.151 20 30 DIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000876592480 1043699967 /nfs/dbraw/zinc/69/99/67/1043699967.db2.gz SGPDXPSYHATKTF-OAHLLOKOSA-N 0 3 308.853 4.342 20 30 DIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000876600236 1043701450 /nfs/dbraw/zinc/70/14/50/1043701450.db2.gz DARIEIVSFSPJSL-OAHLLOKOSA-N 0 3 324.877 4.130 20 30 DIEDHN N#CC(C(=O)c1cscc1-c1ccccc1)c1ccccn1 ZINC000355101408 1043743040 /nfs/dbraw/zinc/74/30/40/1043743040.db2.gz QLQDRMTTYNYEBI-CQSZACIVSA-N 0 3 304.374 4.300 20 30 DIEDHN C#CCCCCCCN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000877634279 1043783546 /nfs/dbraw/zinc/78/35/46/1043783546.db2.gz LZICPFWDXOVTDH-GOSISDBHSA-N 0 3 301.430 4.017 20 30 DIEDHN N#Cc1cncc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000930206771 1043892223 /nfs/dbraw/zinc/89/22/23/1043892223.db2.gz UPWKKKNCNWPIAE-LJQANCHMSA-N 0 3 309.388 4.113 20 30 DIEDHN CC1(C)CCc2ccccc2[C@@H](NCc2cncc(C#N)c2)C1 ZINC000930323332 1043913027 /nfs/dbraw/zinc/91/30/27/1043913027.db2.gz DERKJKACPRRFGE-IBGZPJMESA-N 0 3 305.425 4.147 20 30 DIEDHN C/C=C/C[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879066598 1043941088 /nfs/dbraw/zinc/94/10/88/1043941088.db2.gz PVUVNDGHXOAXNJ-FMGXZMDRSA-N 0 3 324.468 4.105 20 30 DIEDHN COc1c(C)cnc(CN(C)CCCCC2(C#N)CCC2)c1C ZINC000930615239 1043948408 /nfs/dbraw/zinc/94/84/08/1043948408.db2.gz OQMFUTAJJMFWDQ-UHFFFAOYSA-N 0 3 315.461 4.003 20 30 DIEDHN N#CC1CCC(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC1 ZINC000930866333 1043970029 /nfs/dbraw/zinc/97/00/29/1043970029.db2.gz HUYUUQYZVVDIJV-WPZPHBQUSA-N 0 3 324.468 4.311 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cc2cnccc2o1 ZINC000879713472 1043983505 /nfs/dbraw/zinc/98/35/05/1043983505.db2.gz PSANYIWFJROGAI-CQSZACIVSA-N 0 3 319.408 4.480 20 30 DIEDHN Cc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000562078737 1044061025 /nfs/dbraw/zinc/06/10/25/1044061025.db2.gz VXENCAHRAMFZEU-UHFFFAOYSA-N 0 3 310.344 4.237 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NC1(c3cccc(Cl)c3)CC1)CC2 ZINC000562099442 1044064221 /nfs/dbraw/zinc/06/42/21/1044064221.db2.gz FKRTXSMYOAYCMZ-GOSISDBHSA-N 0 3 308.812 4.478 20 30 DIEDHN C=CCC[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000358409636 1044066604 /nfs/dbraw/zinc/06/66/04/1044066604.db2.gz WRMBSIUFLAFCTC-LJQANCHMSA-N 0 3 314.473 4.075 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146935 1044097391 /nfs/dbraw/zinc/09/73/91/1044097391.db2.gz ARZUNVDXOIJIAP-RBUKOAKNSA-N 0 3 309.384 4.176 20 30 DIEDHN C#CCN(Cc1cccc2cccnc21)[C@@H]1CCc2ccccc21 ZINC001137176782 1044164456 /nfs/dbraw/zinc/16/44/56/1044164456.db2.gz MHNVWGPNKOFUMB-OAQYLSRUSA-N 0 3 312.416 4.358 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)ccc1C#N ZINC000281615490 1044168223 /nfs/dbraw/zinc/16/82/23/1044168223.db2.gz GYICSFPIWVDYGF-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN C=CCCC[C@@H](NCc1cnc2n1CCCC2)c1ccccc1 ZINC000883220304 1044239733 /nfs/dbraw/zinc/23/97/33/1044239733.db2.gz HPMMRIVKVRRFSY-LJQANCHMSA-N 0 3 309.457 4.407 20 30 DIEDHN C=CCCC[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327367 1044273972 /nfs/dbraw/zinc/27/39/72/1044273972.db2.gz XCFKHSCDURSKSX-OALUTQOASA-N 0 3 309.457 4.485 20 30 DIEDHN C=CCCC[C@@H](NCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000883325070 1044274552 /nfs/dbraw/zinc/27/45/52/1044274552.db2.gz NRMGDWPRUNQLPV-QGZVFWFLSA-N 0 3 319.399 4.335 20 30 DIEDHN COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1F ZINC000360650170 1044293592 /nfs/dbraw/zinc/29/35/92/1044293592.db2.gz XMJYRVGQIQQWIB-IBGZPJMESA-N 0 3 324.399 4.263 20 30 DIEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000563715178 1044304806 /nfs/dbraw/zinc/30/48/06/1044304806.db2.gz REWOEZQQGYBALK-IBGZPJMESA-N 0 3 306.409 4.065 20 30 DIEDHN C[C@@H](NCc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000035256408 1044319143 /nfs/dbraw/zinc/31/91/43/1044319143.db2.gz YOHHSCSQIGHFMC-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN COc1ccc(CN[C@H]2CC[C@H](C)c3ccccc32)cc1C#N ZINC000132326467 1044321241 /nfs/dbraw/zinc/32/12/41/1044321241.db2.gz VFAAVGKLZMONOI-LIRRHRJNSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCOc1ccccc1CNCc1c(C)c2ccccc2n1C ZINC000475203522 1044323549 /nfs/dbraw/zinc/32/35/49/1044323549.db2.gz MQZMWGABKHSUHA-UHFFFAOYSA-N 0 3 320.436 4.341 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2scnc2C)cc1 ZINC000132484420 1044326803 /nfs/dbraw/zinc/32/68/03/1044326803.db2.gz PZHLWRVPLKEFOF-GFCCVEGCSA-N 0 3 322.861 4.434 20 30 DIEDHN CCc1nc(C(C)C)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000293790333 1044330330 /nfs/dbraw/zinc/33/03/30/1044330330.db2.gz MMCSPIQXUYWVTL-OAHLLOKOSA-N 0 3 307.441 4.490 20 30 DIEDHN COC[C@@H](NCC(C)(C)CCC#N)c1cccc(Cl)c1F ZINC000348243081 1044344392 /nfs/dbraw/zinc/34/43/92/1044344392.db2.gz KQYPDXXIGYQEJL-CQSZACIVSA-N 0 3 312.816 4.086 20 30 DIEDHN C[C@@H](NCc1cnccc1C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000840859013 1044393419 /nfs/dbraw/zinc/39/34/19/1044393419.db2.gz UJRHHRURCCAYQZ-OAHLLOKOSA-N 0 3 323.440 4.132 20 30 DIEDHN CCCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565109741 1044414411 /nfs/dbraw/zinc/41/44/11/1044414411.db2.gz MOUGJAHIPAVEFT-FQEVSTJZSA-N 0 3 306.409 4.124 20 30 DIEDHN COc1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218248 1044421283 /nfs/dbraw/zinc/42/12/83/1044421283.db2.gz MHPHOLXZGVBDRX-CRAIPNDOSA-N 0 3 309.413 4.176 20 30 DIEDHN CN(C)c1ccccc1CN(C)Cc1ccccc1C(C)(C)C#N ZINC000566997449 1044535365 /nfs/dbraw/zinc/53/53/65/1044535365.db2.gz POXSTKATWXARCU-UHFFFAOYSA-N 0 3 321.468 4.186 20 30 DIEDHN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)cc(Cl)n1 ZINC000778599155 1044577644 /nfs/dbraw/zinc/57/76/44/1044577644.db2.gz OGXXZDDDUJSPIL-CQSZACIVSA-N 0 3 321.767 4.082 20 30 DIEDHN CCOc1ccc2c(c1)CCN(CCCCC(C)(C)C#N)C2 ZINC000444660425 1044589128 /nfs/dbraw/zinc/58/91/28/1044589128.db2.gz FWRIYGRDZBLDFB-UHFFFAOYSA-N 0 3 300.446 4.163 20 30 DIEDHN CSCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000568333451 1044616640 /nfs/dbraw/zinc/61/66/40/1044616640.db2.gz CKNNLIUGPTYBDK-LJQANCHMSA-N 0 3 308.450 4.198 20 30 DIEDHN CSCc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000568333450 1044617438 /nfs/dbraw/zinc/61/74/38/1044617438.db2.gz CKNNLIUGPTYBDK-IBGZPJMESA-N 0 3 308.450 4.198 20 30 DIEDHN C=CC[C@H]1N(Cc2nc3cccnc3s2)CCCC1(C)C ZINC000444777060 1044625767 /nfs/dbraw/zinc/62/57/67/1044625767.db2.gz RFFLGXMUQQBWHL-CQSZACIVSA-N 0 3 301.459 4.258 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2ccccc2C)CCCC1(C)C ZINC000444793295 1044630417 /nfs/dbraw/zinc/63/04/17/1044630417.db2.gz RQQZTGBGLJTQGF-KRWDZBQOSA-N 0 3 300.446 4.000 20 30 DIEDHN C=CCCCN(C)Cc1c2ccccc2sc1C(=O)OC ZINC000568562363 1044637093 /nfs/dbraw/zinc/63/70/93/1044637093.db2.gz PKWVIBIWWLCSRG-UHFFFAOYSA-N 0 3 303.427 4.086 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(SC)c(C#N)c2)cc1 ZINC000886686454 1044678775 /nfs/dbraw/zinc/67/87/75/1044678775.db2.gz QLYUCYPOYTWBGC-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN COc1cccc([C@H](C)NCc2ccc(SC)c(C#N)c2)c1 ZINC000886686347 1044679353 /nfs/dbraw/zinc/67/93/53/1044679353.db2.gz NZHITBDENVUPML-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN CSc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000886688588 1044681332 /nfs/dbraw/zinc/68/13/32/1044681332.db2.gz VTSIYRIYXMGGJN-CYBMUJFWSA-N 0 3 324.449 4.066 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1C#N ZINC000886687974 1044681479 /nfs/dbraw/zinc/68/14/79/1044681479.db2.gz IMQWLPAODJFIAG-QGZVFWFLSA-N 0 3 312.413 4.196 20 30 DIEDHN Cc1ccc(-c2cc(CN3CCC(CCC#N)CC3)on2)cc1 ZINC000569719202 1044707928 /nfs/dbraw/zinc/70/79/28/1044707928.db2.gz AHPFRWHOFBSRKQ-UHFFFAOYSA-N 0 3 309.413 4.166 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933918 1044721873 /nfs/dbraw/zinc/72/18/73/1044721873.db2.gz WKFHSGJFDDFXHK-UKRRQHHQSA-N 0 3 320.358 4.487 20 30 DIEDHN Cc1ccccc1[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367064585 1044729948 /nfs/dbraw/zinc/72/99/48/1044729948.db2.gz DRIHKDWBSKXRTG-QGZVFWFLSA-N 0 3 305.425 4.008 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(SC)s2)cc1 ZINC000570206040 1044740440 /nfs/dbraw/zinc/74/04/40/1044740440.db2.gz VHNJNBPCDIIMJR-UHFFFAOYSA-N 0 3 305.468 4.325 20 30 DIEDHN C=C(C)CN(CC[C@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000572921479 1044883951 /nfs/dbraw/zinc/88/39/51/1044883951.db2.gz MXENHCLPOVHRIB-KRWDZBQOSA-N 0 3 313.441 4.344 20 30 DIEDHN CC[C@H](N[C@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209463 1044950526 /nfs/dbraw/zinc/95/05/26/1044950526.db2.gz WFYFONLPIFYMIH-RDJZCZTQSA-N 0 3 311.454 4.442 20 30 DIEDHN CCOc1cccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848273 1044977143 /nfs/dbraw/zinc/97/71/43/1044977143.db2.gz XXYFOVSJWQTNDO-VLIAUNLRSA-N 0 3 306.409 4.295 20 30 DIEDHN N#CC1(CCN2CCC(F)(c3cccnc3)CC2)CCCCC1 ZINC000411702341 1045025544 /nfs/dbraw/zinc/02/55/44/1045025544.db2.gz PXDUQVRCUKVMBX-UHFFFAOYSA-N 0 3 315.436 4.206 20 30 DIEDHN C[C@H]1CC2(CCC2)CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000576557764 1045066942 /nfs/dbraw/zinc/06/69/42/1045066942.db2.gz FDMRYIJZJYGMIZ-LBPRGKRZSA-N 0 3 308.347 4.342 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@H](c1cccnc1)C1CC1 ZINC000525833915 1045127119 /nfs/dbraw/zinc/12/71/19/1045127119.db2.gz TWOIFSHRYOTQRQ-LJQANCHMSA-N 0 3 305.425 4.124 20 30 DIEDHN CN(Cc1ccc(F)c(C#N)c1)Cc1ccc2ccccc2c1 ZINC000468272589 1045136384 /nfs/dbraw/zinc/13/63/84/1045136384.db2.gz WOMFYZRVFNXMLE-UHFFFAOYSA-N 0 3 304.368 4.483 20 30 DIEDHN CCCCCCC[C@H](C)N1CC(N2CCC(F)(F)CC2)C1 ZINC001258049958 1045175473 /nfs/dbraw/zinc/17/54/73/1045175473.db2.gz QNPVEJDYIXORPB-HNNXBMFYSA-N 0 3 302.453 4.151 20 30 DIEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(Oc2ccccc2)c1 ZINC000924639023 1045185371 /nfs/dbraw/zinc/18/53/71/1045185371.db2.gz JFQWSGSGYFFSRB-OAHLLOKOSA-N 0 3 309.413 4.292 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276893 1045210498 /nfs/dbraw/zinc/21/04/98/1045210498.db2.gz QYEYBSNNBUPTKH-QWFCFKBJSA-N 0 3 305.425 4.037 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305035 1045213512 /nfs/dbraw/zinc/21/35/12/1045213512.db2.gz RAGDMGHQPZGCGY-WBMJQRKESA-N 0 3 321.380 4.207 20 30 DIEDHN N#CCc1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527909008 1045281552 /nfs/dbraw/zinc/28/15/52/1045281552.db2.gz HUZYHBVVFDKIPW-GOSISDBHSA-N 0 3 314.791 4.322 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000527935885 1045287555 /nfs/dbraw/zinc/28/75/55/1045287555.db2.gz MYHRSEVQXHBZOB-OAHLLOKOSA-N 0 3 324.399 4.302 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1ccco1 ZINC000579017729 1045288267 /nfs/dbraw/zinc/28/82/67/1045288267.db2.gz NQVCDEHTRRAWEB-CVEARBPZSA-N 0 3 304.459 4.241 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527990770 1045291008 /nfs/dbraw/zinc/29/10/08/1045291008.db2.gz ABDVSAAPHKKHAV-RBUKOAKNSA-N 0 3 308.812 4.476 20 30 DIEDHN CC[C@H](N[C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043145 1045299510 /nfs/dbraw/zinc/29/95/10/1045299510.db2.gz LIYPYCBBDSDHDT-AZUAARDMSA-N 0 3 321.424 4.154 20 30 DIEDHN N#Cc1csc(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449770427 1045435212 /nfs/dbraw/zinc/43/52/12/1045435212.db2.gz ITWBAXUROVZOAN-JSGCOSHPSA-N 0 3 317.845 4.094 20 30 DIEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1cc(C)ccc1C ZINC000529677078 1045511494 /nfs/dbraw/zinc/51/14/94/1045511494.db2.gz ZFAMEZRDWVMMLU-IBGZPJMESA-N 0 3 318.424 4.064 20 30 DIEDHN C[C@H](CC1CCCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477192 1045585110 /nfs/dbraw/zinc/58/51/10/1045585110.db2.gz RULRHZQJZAPFTI-BXUZGUMPSA-N 0 3 306.356 4.143 20 30 DIEDHN C#CC[C@@H]1CCCN([C@H](C)c2ccc(Br)cc2)C1 ZINC001460289007 1045590607 /nfs/dbraw/zinc/59/06/07/1045590607.db2.gz HLCZXNZNZGZZNZ-ZIAGYGMSSA-N 0 3 306.247 4.245 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)C(F)(F)F)c([O-])c1 ZINC000800790755 1045649234 /nfs/dbraw/zinc/64/92/34/1045649234.db2.gz UELUZAJRRLVESR-KEBDBYFISA-N 0 3 316.367 4.246 20 30 DIEDHN CN(CCC#N)c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000078452031 1045714137 /nfs/dbraw/zinc/71/41/37/1045714137.db2.gz PEWCLTSHQUFBDH-UHFFFAOYSA-N 0 3 319.408 4.072 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192148647 1045785924 /nfs/dbraw/zinc/78/59/24/1045785924.db2.gz RCEPEZXWVORYIG-IBGZPJMESA-N 0 3 312.388 4.193 20 30 DIEDHN C(CCCCOc1ccccc1)=Nn1cnnc1-c1ccccc1 ZINC000753954781 1045823965 /nfs/dbraw/zinc/82/39/65/1045823965.db2.gz IAQYUMIVDUZUNQ-UHFFFAOYSA-N 0 3 320.396 4.028 20 30 DIEDHN C=CCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000531537063 1045864427 /nfs/dbraw/zinc/86/44/27/1045864427.db2.gz MGDVSDCMXVEBGY-INIZCTEOSA-N 0 3 302.215 4.314 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1Br)CC(C)C ZINC001137639937 1045913154 /nfs/dbraw/zinc/91/31/54/1045913154.db2.gz OQOIPTBESOXAPU-UHFFFAOYSA-N 0 3 309.251 4.189 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)cc(C)c1O ZINC000754720781 1045917596 /nfs/dbraw/zinc/91/75/96/1045917596.db2.gz PPOXHTGTUSCSCH-UHFFFAOYSA-N 0 3 306.409 4.069 20 30 DIEDHN C#CC[C@H]1CCCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788943 1046007903 /nfs/dbraw/zinc/00/79/03/1046007903.db2.gz KESPAKZQKKRCNH-SJORKVTESA-N 0 3 323.440 4.150 20 30 DIEDHN Cc1ccc2cc([C@@H](C)NCc3ccc(OCC#N)cc3)oc2c1 ZINC000756041334 1046041404 /nfs/dbraw/zinc/04/14/04/1046041404.db2.gz LEVLVTHIOYXOMU-OAHLLOKOSA-N 0 3 320.392 4.494 20 30 DIEDHN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340059 1046045466 /nfs/dbraw/zinc/04/54/66/1046045466.db2.gz BPYKXLKVWOOANK-LIRRHRJNSA-N 0 3 323.415 4.319 20 30 DIEDHN CCCCS[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456859 1046050507 /nfs/dbraw/zinc/05/05/07/1046050507.db2.gz KBEZWWILNSOIEY-VXGBXAGGSA-N 0 3 310.488 4.365 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000453381468 1046058191 /nfs/dbraw/zinc/05/81/91/1046058191.db2.gz LEXPEEKOLFRQJY-BUXKBTBVSA-N 0 3 312.363 4.250 20 30 DIEDHN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766685 1046066329 /nfs/dbraw/zinc/06/63/29/1046066329.db2.gz PRIRLBCXBVCSNT-GJZGRUSLSA-N 0 3 322.408 4.065 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cc2c(s1)CCC2 ZINC000453370200 1046070036 /nfs/dbraw/zinc/07/00/36/1046070036.db2.gz FTUWHUMALKTCGX-NSHDSACASA-N 0 3 300.402 4.098 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807070 1046075120 /nfs/dbraw/zinc/07/51/20/1046075120.db2.gz VKGDDTFNTSAEBD-BEFAXECRSA-N 0 3 324.424 4.145 20 30 DIEDHN CC[C@H](CSc1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902886925 1046100323 /nfs/dbraw/zinc/10/03/23/1046100323.db2.gz WPVGLQMUHBPJTG-GOEBONIOSA-N 0 3 311.454 4.175 20 30 DIEDHN CC[C@@H](N[C@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945861 1046121783 /nfs/dbraw/zinc/12/17/83/1046121783.db2.gz WLWMUPVQHBUPMP-WBVHZDCISA-N 0 3 311.454 4.442 20 30 DIEDHN C#CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000756776876 1046131529 /nfs/dbraw/zinc/13/15/29/1046131529.db2.gz UGRPRWSOGGLAIB-JQFCIGGWSA-N 0 3 309.384 4.434 20 30 DIEDHN CC(=O)OCc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000903078517 1046157221 /nfs/dbraw/zinc/15/72/21/1046157221.db2.gz ICFXXWWFVXBLII-LSDHHAIUSA-N 0 3 322.408 4.033 20 30 DIEDHN C#CC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000756996355 1046158052 /nfs/dbraw/zinc/15/80/52/1046158052.db2.gz DWBPUECBXUFDIV-OAQYLSRUSA-N 0 3 318.420 4.223 20 30 DIEDHN C#CC[C@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000756998655 1046159708 /nfs/dbraw/zinc/15/97/08/1046159708.db2.gz YDVMPRQTPUWFBH-KRWDZBQOSA-N 0 3 301.336 4.142 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131159 1046170120 /nfs/dbraw/zinc/17/01/20/1046170120.db2.gz QXYIUQHFZOONKV-KKSFZXQISA-N 0 3 321.420 4.165 20 30 DIEDHN C=CCCCCN(C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504227 1046203451 /nfs/dbraw/zinc/20/34/51/1046203451.db2.gz CKXGIJTWUPFSAD-UHFFFAOYSA-N 0 3 311.473 4.336 20 30 DIEDHN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198172 1046222207 /nfs/dbraw/zinc/22/22/07/1046222207.db2.gz SNWFUEGRJUMSTA-OXJNMPFZSA-N 0 3 320.436 4.225 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccccc2OC)cc1 ZINC001138559052 1046226920 /nfs/dbraw/zinc/22/69/20/1046226920.db2.gz NHAWVTNZXFZYRS-FQEVSTJZSA-N 0 3 321.420 4.044 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000831938096 1046227696 /nfs/dbraw/zinc/22/76/96/1046227696.db2.gz YEHLUIJWCXNMEH-DLBZAZTESA-N 0 3 308.510 4.140 20 30 DIEDHN Cc1cc(CN2CCC(C#N)(c3ccccc3)CC2)c(C)s1 ZINC001138568776 1046228953 /nfs/dbraw/zinc/22/89/53/1046228953.db2.gz ZYJULSPWJWMFSO-UHFFFAOYSA-N 0 3 310.466 4.422 20 30 DIEDHN C#CC[N@@H+](Cc1cccc(CC=C)c1[O-])[C@@H]1CCc2ccccc21 ZINC001138628683 1046246938 /nfs/dbraw/zinc/24/69/38/1046246938.db2.gz ZMNLJZRKRSPRLF-OAQYLSRUSA-N 0 3 317.432 4.243 20 30 DIEDHN C#CC[N@H+](Cc1cccc(CC=C)c1[O-])[C@@H]1CCc2ccccc21 ZINC001138628683 1046246949 /nfs/dbraw/zinc/24/69/49/1046246949.db2.gz ZMNLJZRKRSPRLF-OAQYLSRUSA-N 0 3 317.432 4.243 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1[O-] ZINC001138628815 1046247723 /nfs/dbraw/zinc/24/77/23/1046247723.db2.gz FXRWYZCQJZCKDQ-FQEVSTJZSA-N 0 3 323.436 4.164 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1[O-] ZINC001138628815 1046247736 /nfs/dbraw/zinc/24/77/36/1046247736.db2.gz FXRWYZCQJZCKDQ-FQEVSTJZSA-N 0 3 323.436 4.164 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c1[O-] ZINC001138630302 1046249312 /nfs/dbraw/zinc/24/93/12/1046249312.db2.gz VPUVTZZXNVOLQM-UHFFFAOYSA-N 0 3 323.436 4.206 20 30 DIEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000897418864 1046253438 /nfs/dbraw/zinc/25/34/38/1046253438.db2.gz ZVCXUKVDQDCOCS-OAHLLOKOSA-N 0 3 318.420 4.027 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nc2ccccc2[nH]1 ZINC000245900315 1046280386 /nfs/dbraw/zinc/28/03/86/1046280386.db2.gz LDFYMXSIOSWAQQ-KLHDSHLOSA-N 0 3 321.424 4.346 20 30 DIEDHN CN(Cc1c[nH]c2c1cccc2Cl)Cc1ccc(C#N)cc1 ZINC001138834806 1046308079 /nfs/dbraw/zinc/30/80/79/1046308079.db2.gz KQVRBQDZLOJKPX-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN Cn1c2ccccc2c2cc(CN3CCC(C)(C#N)CC3)ccc21 ZINC001138918962 1046329617 /nfs/dbraw/zinc/32/96/17/1046329617.db2.gz VNMZJEXYHSIMFC-UHFFFAOYSA-N 0 3 317.436 4.457 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000748270733 1046361804 /nfs/dbraw/zinc/36/18/04/1046361804.db2.gz WWQYFPZIAPDCHM-FXAWDEMLSA-N 0 3 324.399 4.284 20 30 DIEDHN C=CCOc1ccccc1CN1CCC2(CC(F)(F)C2)CC1 ZINC001139028947 1046365431 /nfs/dbraw/zinc/36/54/31/1046365431.db2.gz KDMBBHLZPXRERX-UHFFFAOYSA-N 0 3 307.384 4.263 20 30 DIEDHN C[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)[C@@H]1CC1(F)F ZINC000639181002 1046366635 /nfs/dbraw/zinc/36/66/35/1046366635.db2.gz LZFQXTFGAFAJIM-MUWHJKNJSA-N 0 3 315.232 4.117 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000610829803 1046380329 /nfs/dbraw/zinc/38/03/29/1046380329.db2.gz MVABFNVJZFPEBY-HUUCEWRRSA-N 0 3 322.408 4.131 20 30 DIEDHN CCCCCCCN(CC)Cc1c(N)c(OC)ccc1OC ZINC001139272812 1046422122 /nfs/dbraw/zinc/42/21/22/1046422122.db2.gz IJPZCLFOZIIGSB-UHFFFAOYSA-N 0 3 308.466 4.078 20 30 DIEDHN N#Cc1ccc(Oc2ccc(CN3CC4CCC3CC4)cn2)cc1 ZINC001139427513 1046450985 /nfs/dbraw/zinc/45/09/85/1046450985.db2.gz IXWLYWVIYIVEDH-UHFFFAOYSA-N 0 3 319.408 4.120 20 30 DIEDHN N#CC(C(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000041536213 1046453334 /nfs/dbraw/zinc/45/33/34/1046453334.db2.gz PZYQJWDZXAOTLQ-OAHLLOKOSA-N 0 3 322.364 4.439 20 30 DIEDHN CN(Cc1c[nH]c2c1cccc2C#N)Cc1ccc(Cl)cc1 ZINC001139702877 1046500904 /nfs/dbraw/zinc/50/09/04/1046500904.db2.gz BWCVLANZHPLYCZ-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092261479 1046502829 /nfs/dbraw/zinc/50/28/29/1046502829.db2.gz PVCIDUYMTQLQAO-QGZVFWFLSA-N 0 3 306.409 4.166 20 30 DIEDHN Cc1ccc(CN2CCC(Sc3ccncc3)CC2)cc1C#N ZINC001139726361 1046507017 /nfs/dbraw/zinc/50/70/17/1046507017.db2.gz KLPOLBGTWYSVHX-UHFFFAOYSA-N 0 3 323.465 4.018 20 30 DIEDHN C=CCn1cc(CN2CCC(c3ccc(Cl)cc3)CC2)cn1 ZINC001139767949 1046513668 /nfs/dbraw/zinc/51/36/68/1046513668.db2.gz FMMFKRPPRZOTBS-UHFFFAOYSA-N 0 3 315.848 4.102 20 30 DIEDHN C#CC[C@@H](NCc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000782532460 1046533287 /nfs/dbraw/zinc/53/32/87/1046533287.db2.gz JJVAFABSXLVLOG-HXUWFJFHSA-N 0 3 300.405 4.397 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001139874907 1046540390 /nfs/dbraw/zinc/54/03/90/1046540390.db2.gz QVVQWAKVYZZVEQ-QGZVFWFLSA-N 0 3 308.400 4.152 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)cn1)c1cccc2ccccc21 ZINC000783300153 1046576737 /nfs/dbraw/zinc/57/67/37/1046576737.db2.gz IZOMGTJRPCDQDG-FQEVSTJZSA-N 0 3 301.393 4.347 20 30 DIEDHN N#CC(C(=O)CCCc1ccsc1)c1ccc2ccccc2n1 ZINC000783339635 1046583428 /nfs/dbraw/zinc/58/34/28/1046583428.db2.gz FWEZDCSNAAJGOZ-MRXNPFEDSA-N 0 3 320.417 4.495 20 30 DIEDHN C=CCOc1ccccc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000678238411 1046595346 /nfs/dbraw/zinc/59/53/46/1046595346.db2.gz IEATWGRRUCUXEX-NRFANRHFSA-N 0 3 323.436 4.215 20 30 DIEDHN C=CCOc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000678238446 1046596379 /nfs/dbraw/zinc/59/63/79/1046596379.db2.gz JFTYKFZGIGINRM-OAQYLSRUSA-N 0 3 323.436 4.215 20 30 DIEDHN CN(Cc1ccc(-c2ccncc2)cc1)Cc1cccc(C#N)c1 ZINC001140175376 1046607342 /nfs/dbraw/zinc/60/73/42/1046607342.db2.gz ZZKJEPVQPJYCHB-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C=C(CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783601850 1046613780 /nfs/dbraw/zinc/61/37/80/1046613780.db2.gz UXIWWKYFRUJYBX-UHFFFAOYSA-N 0 3 302.761 4.051 20 30 DIEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000093453446 1046629414 /nfs/dbraw/zinc/62/94/14/1046629414.db2.gz IUCKOHODJJUAHD-OAQYLSRUSA-N 0 3 320.436 4.129 20 30 DIEDHN C=CCCN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533058902 1046645974 /nfs/dbraw/zinc/64/59/74/1046645974.db2.gz UCDMXTZESIAOBO-INIZCTEOSA-N 0 3 301.821 4.443 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccnc(C)c2)cc1 ZINC000834861263 1046688075 /nfs/dbraw/zinc/68/80/75/1046688075.db2.gz YKQDIIDRBDFEFK-OAHLLOKOSA-N 0 3 316.832 4.372 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccnc(C)c2)cc1 ZINC000834861259 1046688867 /nfs/dbraw/zinc/68/88/67/1046688867.db2.gz YKQDIIDRBDFEFK-HNNXBMFYSA-N 0 3 316.832 4.372 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741934 1046692842 /nfs/dbraw/zinc/69/28/42/1046692842.db2.gz HEDTUOUTJCDBDE-SJORKVTESA-N 0 3 308.425 4.113 20 30 DIEDHN CC[C@H](C)CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000784830603 1046711309 /nfs/dbraw/zinc/71/13/09/1046711309.db2.gz AIKWCIOOKNJRPF-WMLDXEAASA-N 0 3 314.429 4.249 20 30 DIEDHN COc1ccc2c(c1)nccc2N[C@H]1CCc2cc(C#N)ccc21 ZINC000784827218 1046711857 /nfs/dbraw/zinc/71/18/57/1046711857.db2.gz GDMSFIIZSFYAOS-SFHVURJKSA-N 0 3 315.376 4.214 20 30 DIEDHN CN(C)c1ccc(/C=C/CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000835041529 1046746020 /nfs/dbraw/zinc/74/60/20/1046746020.db2.gz MUBHHUXBIMRHGI-CQQBXOTJSA-N 0 3 319.452 4.400 20 30 DIEDHN N#CC(C(=O)C1=C(c2ccccc2)CCCC1)c1ccccn1 ZINC000835059521 1046751253 /nfs/dbraw/zinc/75/12/53/1046751253.db2.gz BKYMFBKLWVRZMV-GOSISDBHSA-N 0 3 302.377 4.286 20 30 DIEDHN C=CCC[C@@H](NC[C@@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943497 1046761964 /nfs/dbraw/zinc/76/19/64/1046761964.db2.gz ZHLXEAOYEWIPGY-SJLPKXTDSA-N 0 3 319.832 4.438 20 30 DIEDHN Cc1ccc(F)cc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001140594849 1046802025 /nfs/dbraw/zinc/80/20/25/1046802025.db2.gz RLOFGWXLOPLQQD-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1ccc(Cl)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001140604293 1046808770 /nfs/dbraw/zinc/80/87/70/1046808770.db2.gz YONGIHZEVOCVBM-GASCZTMLSA-N 0 3 308.812 4.298 20 30 DIEDHN Cc1cc(CN2CCC(C#N)(c3ccccc3)CC2)cc(C)c1O ZINC001140654882 1046837197 /nfs/dbraw/zinc/83/71/97/1046837197.db2.gz IYQRHGVMYZEHSN-UHFFFAOYSA-N 0 3 320.436 4.066 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3occc3c2)c1 ZINC000796308708 1046876992 /nfs/dbraw/zinc/87/69/92/1046876992.db2.gz SILFACNKHMCULM-GOSISDBHSA-N 0 3 320.392 4.404 20 30 DIEDHN CN(CCc1ccc(Cl)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755221 1046888098 /nfs/dbraw/zinc/88/80/98/1046888098.db2.gz VSUKOVQZPXGOPT-UHFFFAOYSA-N 0 3 320.770 4.164 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000614963243 1046892306 /nfs/dbraw/zinc/89/23/06/1046892306.db2.gz ZCAGDYBSVFDZDP-DNVCBOLYSA-N 0 3 308.450 4.409 20 30 DIEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000797939812 1046909228 /nfs/dbraw/zinc/90/92/28/1046909228.db2.gz JSYNXTRLLQTOQU-JSGCOSHPSA-N 0 3 314.335 4.237 20 30 DIEDHN CCCN(CCc1ccccn1)Cc1cccc(C#N)c1Cl ZINC001140813000 1046913094 /nfs/dbraw/zinc/91/30/94/1046913094.db2.gz RVQZJASZUBUJBN-UHFFFAOYSA-N 0 3 313.832 4.061 20 30 DIEDHN CCN(CC)[C@@H](CNc1cc(Cl)ccc1C#N)c1ccco1 ZINC000303746021 1046953673 /nfs/dbraw/zinc/95/36/73/1046953673.db2.gz GBDJZSFECQDDCB-INIZCTEOSA-N 0 3 317.820 4.300 20 30 DIEDHN Cc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC001140951074 1046960450 /nfs/dbraw/zinc/96/04/50/1046960450.db2.gz XNLOXUMPONSVGV-UHFFFAOYSA-N 0 3 320.436 4.027 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000237474089 1046969412 /nfs/dbraw/zinc/96/94/12/1046969412.db2.gz VZZUZBORWRZKBD-HNNXBMFYSA-N 0 3 305.377 4.296 20 30 DIEDHN N#CC(C(=O)CCCC1CCOCC1)c1nccc2ccccc21 ZINC000798861217 1046978215 /nfs/dbraw/zinc/97/82/15/1046978215.db2.gz ZDENJYNIESSCQY-GOSISDBHSA-N 0 3 322.408 4.008 20 30 DIEDHN C=CCCCN(C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000536680249 1047069677 /nfs/dbraw/zinc/06/96/77/1047069677.db2.gz HZUGOMDFMGMYLC-UHFFFAOYSA-N 0 3 319.399 4.165 20 30 DIEDHN COc1ccsc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001141329088 1047094882 /nfs/dbraw/zinc/09/48/82/1047094882.db2.gz DQAZIVUTPICSEX-UHFFFAOYSA-N 0 3 311.450 4.020 20 30 DIEDHN C[C@]1(CN(Cc2ccc(C#N)cc2)C2CC2)CC1(Cl)Cl ZINC000827520598 1047108579 /nfs/dbraw/zinc/10/85/79/1047108579.db2.gz GZAHCEHVBCJPTP-OAHLLOKOSA-N 0 3 309.240 4.107 20 30 DIEDHN CCCCCCCCCN(C)C(=O)c1ccc2c(c1)CNC2 ZINC000827533123 1047114710 /nfs/dbraw/zinc/11/47/10/1047114710.db2.gz CVKBQGPBYAWQTE-UHFFFAOYSA-N 0 3 302.462 4.112 20 30 DIEDHN N#Cc1ccc(C2=CCN([C@@H]3CCc4c3cccc4F)CC2)cc1 ZINC001116436242 1047139870 /nfs/dbraw/zinc/13/98/70/1047139870.db2.gz FTFXCZYWHQOIML-OAQYLSRUSA-N 0 3 318.395 4.474 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293547 1047160860 /nfs/dbraw/zinc/16/08/60/1047160860.db2.gz WNUDPDSQCWNFQG-CABCVRRESA-N 0 3 324.424 4.377 20 30 DIEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000897629898 1047251478 /nfs/dbraw/zinc/25/14/78/1047251478.db2.gz OAZYCMXEPDOWRR-INTQDDNPSA-N 0 3 323.874 4.011 20 30 DIEDHN CC(C)(CCC#N)CN(Cc1cccs1)Cc1ccncc1 ZINC000897925367 1047299176 /nfs/dbraw/zinc/29/91/76/1047299176.db2.gz LFNJGTSCURCTSR-UHFFFAOYSA-N 0 3 313.470 4.475 20 30 DIEDHN CCC[C@@](C)(NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000897925827 1047300853 /nfs/dbraw/zinc/30/08/53/1047300853.db2.gz LLTZFVFHLJHRQD-HXUWFJFHSA-N 0 3 318.424 4.011 20 30 DIEDHN Cc1cc(N(C)C)ccc1CN[C@@H](CCC#N)c1ccccc1 ZINC000840936585 1047360555 /nfs/dbraw/zinc/36/05/55/1047360555.db2.gz LXWCRZNXLBQFHT-FQEVSTJZSA-N 0 3 307.441 4.196 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000726697491 1047375307 /nfs/dbraw/zinc/37/53/07/1047375307.db2.gz KZZVSVHVKJCHFO-OAQYLSRUSA-N 0 3 323.436 4.194 20 30 DIEDHN C=C(C)CCN(Cc1csc(Br)c1)C1CC1 ZINC001168316780 1047425305 /nfs/dbraw/zinc/42/53/05/1047425305.db2.gz GXCDZYQNWPYLAH-UHFFFAOYSA-N 0 3 300.265 4.441 20 30 DIEDHN C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000841761857 1047454745 /nfs/dbraw/zinc/45/47/45/1047454745.db2.gz LWCYZJDDTLPMNV-KZULUSFZSA-N 0 3 310.372 4.131 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2nc(Cl)ccc21 ZINC000841763403 1047455595 /nfs/dbraw/zinc/45/55/95/1047455595.db2.gz XDOLNWKIKUCPRC-IRXDYDNUSA-N 0 3 323.827 4.261 20 30 DIEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cnc1Cl ZINC000841893403 1047461638 /nfs/dbraw/zinc/46/16/38/1047461638.db2.gz DTEYNAXOCDGKTD-QGZVFWFLSA-N 0 3 311.816 4.082 20 30 DIEDHN Cc1ccccc1C1(NCc2ccc(N(C)CCC#N)cc2)CC1 ZINC000842732747 1047500928 /nfs/dbraw/zinc/50/09/28/1047500928.db2.gz QRTSWLXDOYARNH-UHFFFAOYSA-N 0 3 319.452 4.124 20 30 DIEDHN CCCCCCCN(CC)Cc1cnc2ccc(Cl)nn12 ZINC001142991053 1047522967 /nfs/dbraw/zinc/52/29/67/1047522967.db2.gz DSSBMLBUDVXKOH-UHFFFAOYSA-N 0 3 308.857 4.175 20 30 DIEDHN C=CCOc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000092758526 1047538369 /nfs/dbraw/zinc/53/83/69/1047538369.db2.gz NWTGFJZJQXZKHL-UHFFFAOYSA-N 0 3 315.457 4.175 20 30 DIEDHN CCCN1CCCC[C@H]1c1ccc(NC2=CC(=O)CCC2)nc1 ZINC001155709579 1047687294 /nfs/dbraw/zinc/68/72/94/1047687294.db2.gz PYOBJXRJNVAXSD-SFHVURJKSA-N 0 3 313.445 4.067 20 30 DIEDHN N#Cc1ccc(CN(CCc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000538731431 1047703923 /nfs/dbraw/zinc/70/39/23/1047703923.db2.gz KIEOOKIFODNXLZ-UHFFFAOYSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000538725628 1047706623 /nfs/dbraw/zinc/70/66/23/1047706623.db2.gz MFIOXQMWQGDRCM-HXUWFJFHSA-N 0 3 308.425 4.292 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000539357911 1047748194 /nfs/dbraw/zinc/74/81/94/1047748194.db2.gz QFYRXKUIXSGYNU-LJQANCHMSA-N 0 3 322.452 4.485 20 30 DIEDHN C=C(C)c1cccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC001158609764 1047791446 /nfs/dbraw/zinc/79/14/46/1047791446.db2.gz DJGNJELNMPPPBD-LJQANCHMSA-N 0 3 312.457 4.455 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(CCC)CC(C)C ZINC000553832855 1047952416 /nfs/dbraw/zinc/95/24/16/1047952416.db2.gz UEIIMNOECYZFDA-UHFFFAOYSA-N 0 3 320.502 4.271 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC001160826789 1048089392 /nfs/dbraw/zinc/08/93/92/1048089392.db2.gz GELMUWORJMCOKH-ROUUACIJSA-N 0 3 306.494 4.022 20 30 DIEDHN CC(C)[Si](C#CNC[C@H](O)c1ccco1)(C(C)C)C(C)C ZINC001162258293 1048252342 /nfs/dbraw/zinc/25/23/42/1048252342.db2.gz OADRBXXYRMWHNF-INIZCTEOSA-N 0 3 307.510 4.082 20 30 DIEDHN C=C(C)CN1CCC(Nc2nc3c(cccc3C)s2)CC1 ZINC001162437026 1048281707 /nfs/dbraw/zinc/28/17/07/1048281707.db2.gz FYQOYWUIQAHVDN-UHFFFAOYSA-N 0 3 301.459 4.057 20 30 DIEDHN C#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001201477638 1048297653 /nfs/dbraw/zinc/29/76/53/1048297653.db2.gz JWAGCWBNYCCCJI-YADHBBJMSA-N 0 3 314.432 4.401 20 30 DIEDHN C=CCC[C@H](NCc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC001201556857 1048309116 /nfs/dbraw/zinc/30/91/16/1048309116.db2.gz BJULMKNCSVZXRN-INIZCTEOSA-N 0 3 308.381 4.331 20 30 DIEDHN CCCCCCCCCCCN1CC2(C1)CCN(C(C)=O)C2 ZINC001201631289 1048328749 /nfs/dbraw/zinc/32/87/49/1048328749.db2.gz OLKBLMNINFSWOT-UHFFFAOYSA-N 0 3 308.510 4.071 20 30 DIEDHN Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506274 1048339194 /nfs/dbraw/zinc/33/91/94/1048339194.db2.gz RQGRIGLIYQOLCS-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN Cc1nc(S[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001186756578 1048341764 /nfs/dbraw/zinc/34/17/64/1048341764.db2.gz CQYHPVHXHHGDGI-SFHVURJKSA-N 0 3 323.465 4.018 20 30 DIEDHN C#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1F ZINC001175506296 1048343637 /nfs/dbraw/zinc/34/36/37/1048343637.db2.gz TUPWETYLIWRUJY-UHFFFAOYSA-N 0 3 306.384 4.009 20 30 DIEDHN CCCCCCCCN1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001201814586 1048375988 /nfs/dbraw/zinc/37/59/88/1048375988.db2.gz QDTMZOUSROEMPV-GOSISDBHSA-N 0 3 321.509 4.199 20 30 DIEDHN Cc1nn(C)c(C)c1CNC#C[Si](C(C)C)(C(C)C)C(C)C ZINC001162883674 1048376935 /nfs/dbraw/zinc/37/69/35/1048376935.db2.gz NOINHOCHSHZCIT-UHFFFAOYSA-N 0 3 319.569 4.305 20 30 DIEDHN CCCCCCCCCN1CCCn2cnc(COCC)c2C1 ZINC001201840183 1048387539 /nfs/dbraw/zinc/38/75/39/1048387539.db2.gz WMKXMUZXVADSDE-UHFFFAOYSA-N 0 3 321.509 4.376 20 30 DIEDHN CC(C)[C@H](C#N)c1ccc(N[C@H]2CNCc3ccsc32)cc1 ZINC001163228607 1048440636 /nfs/dbraw/zinc/44/06/36/1048440636.db2.gz LPCBJAWILJIVPH-IRXDYDNUSA-N 0 3 311.454 4.268 20 30 DIEDHN N=C(Nc1ccccc1CS)c1ccc(C(F)(F)F)cc1 ZINC001163684291 1048503948 /nfs/dbraw/zinc/50/39/48/1048503948.db2.gz UXMAPAOUNKGUAC-UHFFFAOYSA-N 0 3 310.344 4.172 20 30 DIEDHN COc1cc(CNC/C=C/c2cc(C)c(C)cc2C)ccc1C#N ZINC001202300174 1048515618 /nfs/dbraw/zinc/51/56/18/1048515618.db2.gz VEWGPVHSXYBZQX-AATRIKPKSA-N 0 3 320.436 4.295 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(CC(C)C)nc2)cc1 ZINC001202367160 1048534209 /nfs/dbraw/zinc/53/42/09/1048534209.db2.gz XDQNVGLJXVNWQT-UHFFFAOYSA-N 0 3 310.441 4.135 20 30 DIEDHN [NH2+]=C(Nc1ccc2c(c1)CC/C2=N/[O-])C12CC3CC(CC(C3)C1)C2 ZINC001163848199 1048537464 /nfs/dbraw/zinc/53/74/64/1048537464.db2.gz LGUXETNBZBSJPV-NKFKGCMQSA-N 0 3 323.440 4.417 20 30 DIEDHN C=CC(C)(C)CNCc1c(Cl)cc(Cl)cc1N(C)C ZINC001202436058 1048552932 /nfs/dbraw/zinc/55/29/32/1048552932.db2.gz PXELXXCYOOTANK-UHFFFAOYSA-N 0 3 301.261 4.361 20 30 DIEDHN Cc1ccc(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)o1 ZINC000775227394 1048604693 /nfs/dbraw/zinc/60/46/93/1048604693.db2.gz OXSPHBCOMRFBEI-OAHLLOKOSA-N 0 3 322.389 4.131 20 30 DIEDHN C#CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000850225656 1048625266 /nfs/dbraw/zinc/62/52/66/1048625266.db2.gz GAXHIVVKLTWSQU-FQEVSTJZSA-N 0 3 300.405 4.096 20 30 DIEDHN CCc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000160158521 1048647285 /nfs/dbraw/zinc/64/72/85/1048647285.db2.gz HHBJQINUDBZBIJ-AWEZNQCLSA-N 0 3 321.405 4.105 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000850438264 1048655937 /nfs/dbraw/zinc/65/59/37/1048655937.db2.gz DDXIXTBMVVGSPF-CABCVRRESA-N 0 3 306.409 4.295 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435263 1048656983 /nfs/dbraw/zinc/65/69/83/1048656983.db2.gz KQBDRORIPCPFBO-KXBFYZLASA-N 0 3 308.425 4.375 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1ccc(OCC#N)cc1 ZINC000850444630 1048657677 /nfs/dbraw/zinc/65/76/77/1048657677.db2.gz YPVJHFOTJWWISB-KGLIPLIRSA-N 0 3 321.380 4.142 20 30 DIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466933 1048667497 /nfs/dbraw/zinc/66/74/97/1048667497.db2.gz YEPNDDHOAAGERM-VLIAUNLRSA-N 0 3 318.420 4.221 20 30 DIEDHN C=CCOc1ccccc1CN[C@H]1CCCc2ccc(OC)cc21 ZINC000482906542 1048701869 /nfs/dbraw/zinc/70/18/69/1048701869.db2.gz WOIVQMDRJGUZBT-FQEVSTJZSA-N 0 3 323.436 4.427 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850761665 1048707860 /nfs/dbraw/zinc/70/78/60/1048707860.db2.gz QBJLOEZXFDXYKZ-CXAGYDPISA-N 0 3 324.424 4.038 20 30 DIEDHN COc1ccc([C@@H](C)NCC#Cc2cccc(Cl)c2)cc1C ZINC001176629323 1048741757 /nfs/dbraw/zinc/74/17/57/1048741757.db2.gz LCGXMMFYSPSRSN-OAHLLOKOSA-N 0 3 313.828 4.359 20 30 DIEDHN COc1ccc([C@H]2CCCCCN2Cc2cc(C#N)n(C)c2)cc1 ZINC000483187791 1048754175 /nfs/dbraw/zinc/75/41/75/1048754175.db2.gz VQVYMWNGZDEXRJ-HXUWFJFHSA-N 0 3 323.440 4.023 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc(Br)ccc1OC ZINC001176771635 1048789078 /nfs/dbraw/zinc/78/90/78/1048789078.db2.gz OTXRMQBMDJPERY-OAHLLOKOSA-N 0 3 324.262 4.388 20 30 DIEDHN FCCC1C[C@H]2CC[C@@H](C1)N2CC#Cc1cccc(Cl)c1 ZINC001176813389 1048792705 /nfs/dbraw/zinc/79/27/05/1048792705.db2.gz AGSDAIZSFJOOHV-ZNXRZULTSA-N 0 3 305.824 4.294 20 30 DIEDHN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902954126 1048804875 /nfs/dbraw/zinc/80/48/75/1048804875.db2.gz QTORAENEGIRVSP-AUSJPIAWSA-N 0 3 305.425 4.318 20 30 DIEDHN CC(C)N(Cc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000483524282 1048815914 /nfs/dbraw/zinc/81/59/14/1048815914.db2.gz CKMVUAIQEJBTLM-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN CC(C)N(Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483583423 1048820554 /nfs/dbraw/zinc/82/05/54/1048820554.db2.gz MBYHDKNHHPHNEL-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651225 1048830089 /nfs/dbraw/zinc/83/00/89/1048830089.db2.gz JONFQSKMWNASFL-IACUBPJLSA-N 0 3 317.408 4.435 20 30 DIEDHN CCCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001167024519 1048834232 /nfs/dbraw/zinc/83/42/32/1048834232.db2.gz YVSFZFGKZNOTKD-UHFFFAOYSA-N 0 3 311.347 4.201 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000852302952 1048835121 /nfs/dbraw/zinc/83/51/21/1048835121.db2.gz ITMBOGVMSUYWMC-CZUORRHYSA-N 0 3 315.392 4.100 20 30 DIEDHN C=CC[C@@H]1CCCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412223 1048836905 /nfs/dbraw/zinc/83/69/05/1048836905.db2.gz ZQDSMMGTKWDAKO-HZPDHXFCSA-N 0 3 311.429 4.394 20 30 DIEDHN C[C@H]1CCC[C@H](C)N(Cc2cc(C#N)ccc2Br)C1 ZINC001191068788 1048837856 /nfs/dbraw/zinc/83/78/56/1048837856.db2.gz FJYCZNKFDJITAZ-STQMWFEESA-N 0 3 321.262 4.331 20 30 DIEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cc(C#N)ccc1Br ZINC001191068786 1048838902 /nfs/dbraw/zinc/83/89/02/1048838902.db2.gz FJYCZNKFDJITAZ-QWHCGFSZSA-N 0 3 321.262 4.331 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852686421 1048854053 /nfs/dbraw/zinc/85/40/53/1048854053.db2.gz URXDJLUSGAVPRP-OIISXLGYSA-N 0 3 309.413 4.289 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852687933 1048855810 /nfs/dbraw/zinc/85/58/10/1048855810.db2.gz OPSVDULANKNAIH-GASCZTMLSA-N 0 3 309.331 4.115 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001191191410 1048892048 /nfs/dbraw/zinc/89/20/48/1048892048.db2.gz AXOOOTAYUDTLNT-KRWDZBQOSA-N 0 3 310.828 4.276 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1c1ccccc1 ZINC001191224070 1048904088 /nfs/dbraw/zinc/90/40/88/1048904088.db2.gz SFWCELNVYCADCV-BEFAXECRSA-N 0 3 308.400 4.323 20 30 DIEDHN N#Cc1ccc(Br)c(CNCCC[C@@H]2C=CCC2)c1 ZINC001203553210 1048927407 /nfs/dbraw/zinc/92/74/07/1048927407.db2.gz CAKFGFXTKRZPTE-CYBMUJFWSA-N 0 3 319.246 4.157 20 30 DIEDHN C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(C#N)s2)C1 ZINC001191445808 1048948954 /nfs/dbraw/zinc/94/89/54/1048948954.db2.gz WWMGAOFDXTWXSY-LJQANCHMSA-N 0 3 310.466 4.465 20 30 DIEDHN C=CCN(Cc1cc(Br)ccc1OC)C(C)(C)C ZINC001203783209 1048995354 /nfs/dbraw/zinc/99/53/54/1048995354.db2.gz XCZYTXZRXSVEJT-UHFFFAOYSA-N 0 3 312.251 4.244 20 30 DIEDHN C[C@@H]1OC2(CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001203907220 1049027677 /nfs/dbraw/zinc/02/76/77/1049027677.db2.gz ROCJPQQJFMPDFV-INIZCTEOSA-N 0 3 318.420 4.141 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](C)c2cccc(OCC)c2)cc1 ZINC000113330681 1049033679 /nfs/dbraw/zinc/03/36/79/1049033679.db2.gz QVKFDXOOZONWTG-QGZVFWFLSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000113339226 1049033971 /nfs/dbraw/zinc/03/39/71/1049033971.db2.gz PNJSRDBGUWXYOJ-FQEVSTJZSA-N 0 3 309.384 4.005 20 30 DIEDHN COc1ccccc1C(C)(C)NCCC1(C#N)CCCCC1 ZINC001192150052 1049041744 /nfs/dbraw/zinc/04/17/44/1049041744.db2.gz UTJBPERIRGMTTB-UHFFFAOYSA-N 0 3 300.446 4.384 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000113952435 1049078465 /nfs/dbraw/zinc/07/84/65/1049078465.db2.gz NWZGQGUMFOHPAL-RDTXWAMCSA-N 0 3 312.388 4.357 20 30 DIEDHN C[C@@H](NCCCCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856782006 1049105724 /nfs/dbraw/zinc/10/57/24/1049105724.db2.gz XGIMVEOBOIQVHK-SECBINFHSA-N 0 3 305.731 4.098 20 30 DIEDHN C=CC[C@H](Cc1ccccc1)NCc1ccn(-c2ccccc2)n1 ZINC001178939894 1049111255 /nfs/dbraw/zinc/11/12/55/1049111255.db2.gz XBAGACVFELCIKT-LJQANCHMSA-N 0 3 317.436 4.149 20 30 DIEDHN C=CCCC1(CNCc2cn(-c3ccccc3C)nn2)CCCC1 ZINC001179143592 1049132405 /nfs/dbraw/zinc/13/24/05/1049132405.db2.gz ZPJGESNOTHMCRC-UHFFFAOYSA-N 0 3 324.472 4.192 20 30 DIEDHN CCCCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC001204316051 1049139662 /nfs/dbraw/zinc/13/96/62/1049139662.db2.gz OTXXTSFWNHKHBH-QGZVFWFLSA-N 0 3 300.446 4.381 20 30 DIEDHN Cc1cc(C)cc(CN2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001204519099 1049181223 /nfs/dbraw/zinc/18/12/23/1049181223.db2.gz SWOGVFKPHYQRRZ-UHFFFAOYSA-N 0 3 304.437 4.361 20 30 DIEDHN C=CCOCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001193261402 1049192731 /nfs/dbraw/zinc/19/27/31/1049192731.db2.gz OBOIQUJETURISW-UHFFFAOYSA-N 0 3 312.240 4.285 20 30 DIEDHN Cc1cccnc1[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000115622313 1049199832 /nfs/dbraw/zinc/19/98/32/1049199832.db2.gz RDRZKWKBWBHJSW-VQIMIIECSA-N 0 3 323.440 4.168 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2[C@H](C)CC[C@@H]2C)cc1OC ZINC001204625002 1049205457 /nfs/dbraw/zinc/20/54/57/1049205457.db2.gz IZSJGGAATQIMGA-BETUJISGSA-N 0 3 309.837 4.286 20 30 DIEDHN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000777007068 1049226345 /nfs/dbraw/zinc/22/63/45/1049226345.db2.gz MSWLJGJSRSYQRV-CQSZACIVSA-N 0 3 310.372 4.068 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239245 1049229060 /nfs/dbraw/zinc/22/90/60/1049229060.db2.gz QYPDUOCBQNNFBL-YWZLYKJASA-N 0 3 321.424 4.003 20 30 DIEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccc(Cl)cc1Cl ZINC001193913528 1049280588 /nfs/dbraw/zinc/28/05/88/1049280588.db2.gz KMVARPSYRXWBCM-CYBMUJFWSA-N 0 3 315.288 4.494 20 30 DIEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1 ZINC001180154882 1049302270 /nfs/dbraw/zinc/30/22/70/1049302270.db2.gz YHEJCCWNYPKTBF-UHFFFAOYSA-N 0 3 312.388 4.061 20 30 DIEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1 ZINC001180154882 1049302279 /nfs/dbraw/zinc/30/22/79/1049302279.db2.gz YHEJCCWNYPKTBF-UHFFFAOYSA-N 0 3 312.388 4.061 20 30 DIEDHN Fc1ccc(CC2CCN(CC#Cc3ccccc3)CC2)cc1 ZINC001204917397 1049310898 /nfs/dbraw/zinc/31/08/98/1049310898.db2.gz YMSSQVXZQGJWSE-UHFFFAOYSA-N 0 3 307.412 4.132 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1cc(F)ccc1N(C)C ZINC001180280824 1049333044 /nfs/dbraw/zinc/33/30/44/1049333044.db2.gz NJWDYICQKGBZGR-UHFFFAOYSA-N 0 3 312.432 4.122 20 30 DIEDHN C=CCN(CC=C)Cc1ccnc2c(Br)cccc12 ZINC001180375155 1049346913 /nfs/dbraw/zinc/34/69/13/1049346913.db2.gz IUVPYTDCQZVSKV-UHFFFAOYSA-N 0 3 317.230 4.171 20 30 DIEDHN Cc1cc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)ccc1F ZINC001205198216 1049409643 /nfs/dbraw/zinc/40/96/43/1049409643.db2.gz IGMRNBLVTWNDOY-IBGZPJMESA-N 0 3 324.399 4.049 20 30 DIEDHN C[C@H](NCc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000093492029 1049450039 /nfs/dbraw/zinc/45/00/39/1049450039.db2.gz IYBDCIQECNLXRH-JTQLQIEISA-N 0 3 310.344 4.489 20 30 DIEDHN C#CCN(CCc1ccc(F)cc1Cl)Cc1ccccc1 ZINC001181638123 1049493311 /nfs/dbraw/zinc/49/33/11/1049493311.db2.gz QGOLEMGLYLNTTO-UHFFFAOYSA-N 0 3 301.792 4.157 20 30 DIEDHN C#C[C@H](NC[C@@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020877 1049563742 /nfs/dbraw/zinc/56/37/42/1049563742.db2.gz OPATZHIQXCLNJO-XIKOKIGWSA-N 0 3 303.327 4.172 20 30 DIEDHN C#C[C@@H](N[C@@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152110 1049577614 /nfs/dbraw/zinc/57/76/14/1049577614.db2.gz JAZLUZBJFNIUAH-IFXJQAMLSA-N 0 3 313.828 4.331 20 30 DIEDHN C=CCN(Cc1ccc(OC(C)C)c(Cl)c1)[C@@H](C)COC ZINC001196047646 1049609388 /nfs/dbraw/zinc/60/93/88/1049609388.db2.gz ALLUKNKFVALFIJ-AWEZNQCLSA-N 0 3 311.853 4.150 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488185888 1049611243 /nfs/dbraw/zinc/61/12/43/1049611243.db2.gz QZYDVPPATQIVFN-KRWDZBQOSA-N 0 3 311.454 4.141 20 30 DIEDHN C#C[C@@H](N[C@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988669 1049620507 /nfs/dbraw/zinc/62/05/07/1049620507.db2.gz HUUGGKGOZZVHPN-JKSUJKDBSA-N 0 3 304.231 4.212 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265248 1049639604 /nfs/dbraw/zinc/63/96/04/1049639604.db2.gz JLMRMMVRWHVBDO-UXHICEINSA-N 0 3 320.392 4.326 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774375952 1049653643 /nfs/dbraw/zinc/65/36/43/1049653643.db2.gz HCOILSOUQUDQAQ-JTQLQIEISA-N 0 3 320.223 4.298 20 30 DIEDHN C=C(C)[C@H](NC[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723832 1049666051 /nfs/dbraw/zinc/66/60/51/1049666051.db2.gz NWDLDOYBIUOSKE-OALUTQOASA-N 0 3 317.379 4.214 20 30 DIEDHN C=C(C)[C@H](NC[C@@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725950 1049670749 /nfs/dbraw/zinc/67/07/49/1049670749.db2.gz XVOYDCDJTLRGPM-MOPGFXCFSA-N 0 3 317.379 4.214 20 30 DIEDHN CCN(Cc1ccc(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000488621267 1049684737 /nfs/dbraw/zinc/68/47/37/1049684737.db2.gz YTZWMEWHQYAYOG-CYBMUJFWSA-N 0 3 300.352 4.420 20 30 DIEDHN COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000488794594 1049695420 /nfs/dbraw/zinc/69/54/20/1049695420.db2.gz SOVXOMSMQQFHAE-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000488794595 1049696448 /nfs/dbraw/zinc/69/64/48/1049696448.db2.gz SOVXOMSMQQFHAE-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)cc1C)c1ccc(OC)c(OC)c1 ZINC000586776234 1049894812 /nfs/dbraw/zinc/89/48/12/1049894812.db2.gz VYORZQUJQKOHNF-SFHVURJKSA-N 0 3 324.424 4.125 20 30 DIEDHN N#Cc1ccc(CNC/C=C/c2ccc(F)c(F)c2)cc1Cl ZINC000586779272 1049898547 /nfs/dbraw/zinc/89/85/47/1049898547.db2.gz UPPIUMVZDJTKKJ-OWOJBTEDSA-N 0 3 318.754 4.293 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(Br)cc1F ZINC001207742307 1049932770 /nfs/dbraw/zinc/93/27/70/1049932770.db2.gz RYJWXIGCSTWULC-JTQLQIEISA-N 0 3 313.214 4.006 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC001207894762 1049951325 /nfs/dbraw/zinc/95/13/25/1049951325.db2.gz WKMPWVSYMXFFTM-UTKZUKDTSA-N 0 3 320.436 4.300 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(NC(=O)C2CCC2)CC1 ZINC001208118437 1049975108 /nfs/dbraw/zinc/97/51/08/1049975108.db2.gz HAGANTKHZBMUBQ-CMDGGOBGSA-N 0 3 320.521 4.284 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCN(CCc3ccccc3)CC2)CC1 ZINC001208176608 1049980932 /nfs/dbraw/zinc/98/09/32/1049980932.db2.gz IISUEQZDPNSOHE-JOCHJYFZSA-N 0 3 324.512 4.149 20 30 DIEDHN N#CC1(c2ccccc2F)CCN(CCC2CCCC2)CC1 ZINC001208699341 1050003537 /nfs/dbraw/zinc/00/35/37/1050003537.db2.gz UQASFMUZSARDHD-UHFFFAOYSA-N 0 3 300.421 4.263 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001208928305 1050023233 /nfs/dbraw/zinc/02/32/33/1050023233.db2.gz ASPMNCXAHQZVJX-IBGZPJMESA-N 0 3 312.363 4.216 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CSCc3ccccc31)CC2 ZINC000589336721 1050027619 /nfs/dbraw/zinc/02/76/19/1050027619.db2.gz HUETYQNAMJJSOJ-MOPGFXCFSA-N 0 3 306.434 4.123 20 30 DIEDHN C#CCN(Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCc2ccccc21 ZINC001209692582 1050077203 /nfs/dbraw/zinc/07/72/03/1050077203.db2.gz QJJCZLNZARXGMJ-OAQYLSRUSA-N 0 3 318.395 4.430 20 30 DIEDHN CCc1nc(C(C)C)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000590169951 1050081050 /nfs/dbraw/zinc/08/10/50/1050081050.db2.gz KDEOINUTGVWZNF-HNNXBMFYSA-N 0 3 307.441 4.490 20 30 DIEDHN CC(C)Oc1ccc2nccc(N3CCC(CC#N)CC3)c2c1 ZINC000590696462 1050103872 /nfs/dbraw/zinc/10/38/72/1050103872.db2.gz DYBMHYNSLJIUHA-UHFFFAOYSA-N 0 3 309.413 4.152 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2c(C)noc2C)c([O-])c1 ZINC000733750028 1050151812 /nfs/dbraw/zinc/15/18/12/1050151812.db2.gz JTGWKEJYLYOKBD-ZDFPAGSVSA-N 0 3 315.417 4.023 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2c(C)noc2C)c([O-])c1 ZINC000733750027 1050152034 /nfs/dbraw/zinc/15/20/34/1050152034.db2.gz JTGWKEJYLYOKBD-XHEYCZLTSA-N 0 3 315.417 4.023 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171038340 1050175940 /nfs/dbraw/zinc/17/59/40/1050175940.db2.gz WCAYORASVAIUPM-GOSISDBHSA-N 0 3 322.839 4.127 20 30 DIEDHN CN(CCC#N)c1ccc(CNCc2coc3ccccc23)cc1 ZINC000734004016 1050212209 /nfs/dbraw/zinc/21/22/09/1050212209.db2.gz HTMNPMILTSNTAY-UHFFFAOYSA-N 0 3 319.408 4.072 20 30 DIEDHN C=CCCN(Cc1cnc2cc(C)ccn12)Cc1ccccc1 ZINC001136890346 1050219027 /nfs/dbraw/zinc/21/90/27/1050219027.db2.gz YQZAQZOJYHPRMH-UHFFFAOYSA-N 0 3 305.425 4.221 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000573668762 1050234123 /nfs/dbraw/zinc/23/41/23/1050234123.db2.gz PHMJTKZGVQXBFV-KYJSFNMBSA-N 0 3 315.848 4.399 20 30 DIEDHN CN(Cc1ccncc1C#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000592125206 1050271457 /nfs/dbraw/zinc/27/14/57/1050271457.db2.gz UXDMYEBFKXTHBW-VQTJNVASSA-N 0 3 305.425 4.111 20 30 DIEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC2(CCCC2)O1 ZINC000592193712 1050276221 /nfs/dbraw/zinc/27/62/21/1050276221.db2.gz MXJFTNNKRJNCDP-INIZCTEOSA-N 0 3 312.457 4.021 20 30 DIEDHN Cc1ccccc1C1(NCc2cccc(OCCCC#N)c2)CC1 ZINC000592372538 1050290609 /nfs/dbraw/zinc/29/06/09/1050290609.db2.gz ITSBPHOSUFTMRZ-UHFFFAOYSA-N 0 3 320.436 4.457 20 30 DIEDHN COc1cc(CNC2(c3ccc(C)cc3)CCC2)ccc1C#N ZINC000592381026 1050296707 /nfs/dbraw/zinc/29/67/07/1050296707.db2.gz ZSFXUGMSVVKOLB-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN N#CCc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000592391638 1050297422 /nfs/dbraw/zinc/29/74/22/1050297422.db2.gz RXRFRRWJQSPZOU-KRWDZBQOSA-N 0 3 312.413 4.218 20 30 DIEDHN C=CC[C@@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000735086844 1050344165 /nfs/dbraw/zinc/34/41/65/1050344165.db2.gz STQXTJRZTFFTGV-CQSZACIVSA-N 0 3 317.864 4.256 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H](SC)C2)c([O-])c1 ZINC000735228898 1050356092 /nfs/dbraw/zinc/35/60/92/1050356092.db2.gz KQHNTVUHLBFGLL-PXVYJFOMSA-N 0 3 320.502 4.332 20 30 DIEDHN CSC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000574089442 1050371177 /nfs/dbraw/zinc/37/11/77/1050371177.db2.gz GCJJZZVPYHZSJE-DLBZAZTESA-N 0 3 300.471 4.044 20 30 DIEDHN CC[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735311679 1050373642 /nfs/dbraw/zinc/37/36/42/1050373642.db2.gz UCPCDXOFEXNMMD-CQSZACIVSA-N 0 3 306.837 4.254 20 30 DIEDHN CCC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000785567715 1050394812 /nfs/dbraw/zinc/39/48/12/1050394812.db2.gz OIOSLIJFBUXQOJ-INIZCTEOSA-N 0 3 300.427 4.259 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000785998449 1050441911 /nfs/dbraw/zinc/44/19/11/1050441911.db2.gz FHDIJMFHZCKHOP-OAHLLOKOSA-N 0 3 304.459 4.001 20 30 DIEDHN C[C@H](c1cccc2ccccc21)N(C)Cc1ccc(C#N)cn1 ZINC001144166464 1050488260 /nfs/dbraw/zinc/48/82/60/1050488260.db2.gz HGDFTYCFPPNLKQ-OAHLLOKOSA-N 0 3 301.393 4.299 20 30 DIEDHN CC(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C(C)C)c1 ZINC000594428448 1050510719 /nfs/dbraw/zinc/51/07/19/1050510719.db2.gz MDFDYGUWZWEHRF-KRWDZBQOSA-N 0 3 315.461 4.283 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000594495887 1050518933 /nfs/dbraw/zinc/51/89/33/1050518933.db2.gz DWDFOPSFOQSSHJ-IBGZPJMESA-N 0 3 308.400 4.404 20 30 DIEDHN CC(C)(C#N)c1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000594502492 1050521427 /nfs/dbraw/zinc/52/14/27/1050521427.db2.gz IZDOOALSWHYIQJ-UHFFFAOYSA-N 0 3 303.409 4.259 20 30 DIEDHN Cc1ccc(-c2ncc(CN[C@@H]3CC[C@H](C#N)C3)s2)cc1C ZINC000594507510 1050523547 /nfs/dbraw/zinc/52/35/47/1050523547.db2.gz FUNIHMZCDUFBQX-GOEBONIOSA-N 0 3 311.454 4.209 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NC1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594512108 1050526806 /nfs/dbraw/zinc/52/68/06/1050526806.db2.gz BSMMVUSRGKSMMC-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000594517611 1050529432 /nfs/dbraw/zinc/52/94/32/1050529432.db2.gz KQCSGDBJXTYHGX-AWEZNQCLSA-N 0 3 319.383 4.299 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCCc4c(O)cccc43)CCC2)cc1 ZINC000594519185 1050529514 /nfs/dbraw/zinc/52/95/14/1050529514.db2.gz VEZHHKZYRGTMQI-IBGZPJMESA-N 0 3 318.420 4.310 20 30 DIEDHN N#CC[C@@H]1CCCN([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160951 1050543745 /nfs/dbraw/zinc/54/37/45/1050543745.db2.gz CRRBAPZEYHGJKO-WFASDCNBSA-N 0 3 323.267 4.476 20 30 DIEDHN C#CCN(Cc1ccc2cnccc2c1)[C@@H]1CCc2ccccc21 ZINC000787039430 1050543814 /nfs/dbraw/zinc/54/38/14/1050543814.db2.gz JAQNJARBEVHPNQ-JOCHJYFZSA-N 0 3 312.416 4.358 20 30 DIEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160949 1050544422 /nfs/dbraw/zinc/54/44/22/1050544422.db2.gz CRRBAPZEYHGJKO-SWLSCSKDSA-N 0 3 323.267 4.476 20 30 DIEDHN CCc1cccc(CN2CCC(Oc3ccccc3C#N)CC2)c1 ZINC001144326856 1050544485 /nfs/dbraw/zinc/54/44/85/1050544485.db2.gz XJPQXOVLPNUTII-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1c(F)ccc(Cl)c1F ZINC001171177880 1050565383 /nfs/dbraw/zinc/56/53/83/1050565383.db2.gz BMXSPYQIVKUBAW-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1c(F)ccc(Cl)c1F ZINC001171177877 1050565923 /nfs/dbraw/zinc/56/59/23/1050565923.db2.gz BMXSPYQIVKUBAW-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN COc1ccccc1C(C)(C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594924710 1050566332 /nfs/dbraw/zinc/56/63/32/1050566332.db2.gz KZEDASDGPMBYDN-UHFFFAOYSA-N 0 3 320.436 4.275 20 30 DIEDHN COc1cccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594927231 1050566743 /nfs/dbraw/zinc/56/67/43/1050566743.db2.gz ZYYKYAOQWVDQFR-HNNXBMFYSA-N 0 3 306.409 4.101 20 30 DIEDHN N=C(Nc1ccc(CS)cc1)c1ccc2cc(O)ccc2c1 ZINC001171181810 1050575176 /nfs/dbraw/zinc/57/51/76/1050575176.db2.gz CITTVJZYCMALDU-UHFFFAOYSA-N 0 3 308.406 4.012 20 30 DIEDHN N#CC1(c2ccc(CNCc3ccc(C(F)F)cc3)cc2)CC1 ZINC000594943709 1050578722 /nfs/dbraw/zinc/57/87/22/1050578722.db2.gz GFXLJRRWRJEYNT-UHFFFAOYSA-N 0 3 312.363 4.469 20 30 DIEDHN N#CC(C(=O)[C@H]1C[C@H]1C1CCCC1)c1ccc2ccccc2n1 ZINC000845437998 1050579906 /nfs/dbraw/zinc/57/99/06/1050579906.db2.gz IXZTWAAFZZZNDG-ULQDDVLXSA-N 0 3 304.393 4.237 20 30 DIEDHN COc1cccc(C2(NCc3ccc(C#N)c(C)c3)CCC2)c1 ZINC000594996872 1050589450 /nfs/dbraw/zinc/58/94/50/1050589450.db2.gz FYZYELGESOVAOM-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN CC[C@@H]1CCCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000739926375 1050594418 /nfs/dbraw/zinc/59/44/18/1050594418.db2.gz FGCNEMXOQORELE-MRXNPFEDSA-N 0 3 306.837 4.397 20 30 DIEDHN C[C@H](NCCCC#N)c1ccc(Br)c(Cl)c1 ZINC000595031459 1050599067 /nfs/dbraw/zinc/59/90/67/1050599067.db2.gz HEJWZYATVHUHAD-VIFPVBQESA-N 0 3 301.615 4.057 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043077 1050600201 /nfs/dbraw/zinc/60/02/01/1050600201.db2.gz FWJQIRVVQUDDKZ-FZKQIMNGSA-N 0 3 317.392 4.428 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000746681378 1050600541 /nfs/dbraw/zinc/60/05/41/1050600541.db2.gz YLOPPDIJCBNVOI-QRWLVFNGSA-N 0 3 324.399 4.311 20 30 DIEDHN C[C@H](O)[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103954 1050607129 /nfs/dbraw/zinc/60/71/29/1050607129.db2.gz PKUKXRHPJNWSFD-RVHYNSKXSA-N 0 3 320.436 4.037 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001144573408 1050621661 /nfs/dbraw/zinc/62/16/61/1050621661.db2.gz IXRWXEKVQJVJFF-UHFFFAOYSA-N 0 3 303.327 4.319 20 30 DIEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418958 1050633975 /nfs/dbraw/zinc/63/39/75/1050633975.db2.gz GVORYHIUJMXMDF-RTBURBONSA-N 0 3 300.446 4.216 20 30 DIEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1Cl ZINC000595633755 1050654981 /nfs/dbraw/zinc/65/49/81/1050654981.db2.gz YOJFWTSXEJLNNK-UHFFFAOYSA-N 0 3 314.816 4.245 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595614264 1050657080 /nfs/dbraw/zinc/65/70/80/1050657080.db2.gz JFDKDTMDSYMGFC-GOSISDBHSA-N 0 3 320.436 4.391 20 30 DIEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595613317 1050657231 /nfs/dbraw/zinc/65/72/31/1050657231.db2.gz AUZHUZBKAWTKAC-SFHVURJKSA-N 0 3 320.436 4.391 20 30 DIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)cc1F ZINC000595750384 1050667418 /nfs/dbraw/zinc/66/74/18/1050667418.db2.gz BCJQMOHGEODEGM-LJQANCHMSA-N 0 3 324.399 4.237 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(C1)CCCCC2 ZINC000741808960 1050745279 /nfs/dbraw/zinc/74/52/79/1050745279.db2.gz WMOLOURWKKEPDQ-UHFFFAOYSA-N 0 3 318.848 4.399 20 30 DIEDHN COc1ccc(C)cc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000060208185 1050746059 /nfs/dbraw/zinc/74/60/59/1050746059.db2.gz VNSXVQOWGQDHFB-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN COCc1csc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000596979811 1050792160 /nfs/dbraw/zinc/79/21/60/1050792160.db2.gz PMONXMKPFUZQHB-UHFFFAOYSA-N 0 3 314.454 4.177 20 30 DIEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085188 1050805394 /nfs/dbraw/zinc/80/53/94/1050805394.db2.gz SIPKLNLJGPTFLY-XJKSGUPXSA-N 0 3 322.374 4.405 20 30 DIEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1ccc(Br)cc1 ZINC000597086350 1050806029 /nfs/dbraw/zinc/80/60/29/1050806029.db2.gz LEZVABUHKZLIDB-CABCVRRESA-N 0 3 309.251 4.052 20 30 DIEDHN N#CC1(c2ccc(CN3CCC(CC(F)(F)F)CC3)cc2)CC1 ZINC000597122591 1050808463 /nfs/dbraw/zinc/80/84/63/1050808463.db2.gz ZNLCPFSNJGMDIS-UHFFFAOYSA-N 0 3 322.374 4.406 20 30 DIEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133022 1050810533 /nfs/dbraw/zinc/81/05/33/1050810533.db2.gz PZJZBHZOGUXILW-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H](C)c1cccnc1 ZINC000597132439 1050813084 /nfs/dbraw/zinc/81/30/84/1050813084.db2.gz HSGZLDAKDQCASL-INIZCTEOSA-N 0 3 305.425 4.220 20 30 DIEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450238 1050834673 /nfs/dbraw/zinc/83/46/73/1050834673.db2.gz LCAWYMNWFUHTCF-MGPQQGTHSA-N 0 3 306.837 4.109 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000772988919 1050933743 /nfs/dbraw/zinc/93/37/43/1050933743.db2.gz UAVFPHUGAVLIGN-KRWDZBQOSA-N 0 3 322.452 4.006 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000743501069 1051036950 /nfs/dbraw/zinc/03/69/50/1051036950.db2.gz CACIKFNOFKPDBH-YZLQOSHFSA-N 0 3 321.424 4.290 20 30 DIEDHN COc1ccc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)cc1C#N ZINC000773086100 1051058093 /nfs/dbraw/zinc/05/80/93/1051058093.db2.gz YHYOIRMYNCOWIW-RDTXWAMCSA-N 0 3 306.409 4.213 20 30 DIEDHN C#CC[C@H](N[C@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108548 1051064873 /nfs/dbraw/zinc/06/48/73/1051064873.db2.gz ZSOBNPGMBSCSOC-UXHICEINSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](CC#C)c2ccccc2)cc1 ZINC000773115729 1051065550 /nfs/dbraw/zinc/06/55/50/1051065550.db2.gz OMFDVFMRFJZJOT-LAUBAEHRSA-N 0 3 303.405 4.114 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117008 1051066636 /nfs/dbraw/zinc/06/66/36/1051066636.db2.gz SSRXSHWYEJWMMS-UWJYYQICSA-N 0 3 315.420 4.288 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114274 1051067568 /nfs/dbraw/zinc/06/75/68/1051067568.db2.gz HZKRPJNFLLAYAL-NHCUHLMSSA-N 0 3 305.421 4.427 20 30 DIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CCC)cc1 ZINC000744029820 1051093890 /nfs/dbraw/zinc/09/38/90/1051093890.db2.gz WPHCXXVOAFCPTA-WMLDXEAASA-N 0 3 314.429 4.113 20 30 DIEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000744033129 1051102170 /nfs/dbraw/zinc/10/21/70/1051102170.db2.gz NJLOCAWSOWKLNK-JKIFEVAISA-N 0 3 314.429 4.284 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000744037399 1051102286 /nfs/dbraw/zinc/10/22/86/1051102286.db2.gz VEVXUSAEULUPIC-OCCSQVGLSA-N 0 3 322.389 4.383 20 30 DIEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105971 1051115969 /nfs/dbraw/zinc/11/59/69/1051115969.db2.gz OPFQADNTHPXDGY-GIFJBRJJSA-N 0 3 316.335 4.264 20 30 DIEDHN N#CC(C(=O)CCCc1ccccc1)c1nccc2ccccc21 ZINC000792102397 1051116901 /nfs/dbraw/zinc/11/69/01/1051116901.db2.gz IKYBAYUDFHCTKJ-LJQANCHMSA-N 0 3 314.388 4.434 20 30 DIEDHN C[C@H]1CCCCN1c1cccc(NCc2ccc(C#N)s2)n1 ZINC001170199686 1051154248 /nfs/dbraw/zinc/15/42/48/1051154248.db2.gz FVXFYGLUBJVPAK-ZDUSSCGKSA-N 0 3 312.442 4.006 20 30 DIEDHN Cc1cc(C#N)cc(C)c1Nc1cccc2c1OCC[C@H]2N(C)C ZINC001215648509 1051286149 /nfs/dbraw/zinc/28/61/49/1051286149.db2.gz VKRMMNBQKIZIIU-GOSISDBHSA-N 0 3 321.424 4.304 20 30 DIEDHN N#Cc1cccc(N)c1Nc1cccc(CN2CCCCC2)c1F ZINC001215678419 1051296811 /nfs/dbraw/zinc/29/68/11/1051296811.db2.gz BHZGOSSVKIUMCN-UHFFFAOYSA-N 0 3 324.403 4.009 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047890 1051311059 /nfs/dbraw/zinc/31/10/59/1051311059.db2.gz SKFUVBIGDOPMIX-YOEHRIQHSA-N 0 3 312.413 4.067 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047888 1051311230 /nfs/dbraw/zinc/31/12/30/1051311230.db2.gz SKFUVBIGDOPMIX-RHSMWYFYSA-N 0 3 312.413 4.067 20 30 DIEDHN N#Cc1ccccc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711549 1051319072 /nfs/dbraw/zinc/31/90/72/1051319072.db2.gz DAHQMOSIPOIIIR-UHFFFAOYSA-N 0 3 309.388 4.427 20 30 DIEDHN Cc1cc(Nc2ccc(CN3CCCCC3)c(F)c2)cnc1C#N ZINC001215711491 1051320107 /nfs/dbraw/zinc/32/01/07/1051320107.db2.gz VHICQCAZDHDIQT-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2cc(Cl)ccc2C1 ZINC001172318808 1051340002 /nfs/dbraw/zinc/34/00/02/1051340002.db2.gz JFDGDKBWJDCDEH-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2c(Cl)cccc2C1 ZINC001172319542 1051340537 /nfs/dbraw/zinc/34/05/37/1051340537.db2.gz OJYCFFPLGUCSJO-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2c(Cl)cccc2C1 ZINC001172319541 1051340614 /nfs/dbraw/zinc/34/06/14/1051340614.db2.gz OJYCFFPLGUCSJO-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)cccc1Cl ZINC001172290682 1051347931 /nfs/dbraw/zinc/34/79/31/1051347931.db2.gz RGINRGHQZGFQSZ-GFCCVEGCSA-N 0 3 302.780 4.072 20 30 DIEDHN COCc1cc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348598 1051393703 /nfs/dbraw/zinc/39/37/03/1051393703.db2.gz AJULNTTZUKCFOA-GJZGRUSLSA-N 0 3 324.424 4.125 20 30 DIEDHN COCc1cc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348602 1051394653 /nfs/dbraw/zinc/39/46/53/1051394653.db2.gz AJULNTTZUKCFOA-HUUCEWRRSA-N 0 3 324.424 4.125 20 30 DIEDHN C[C@@H](CCCC#N)NC1(c2ccccc2Br)CC1 ZINC001172485724 1051404569 /nfs/dbraw/zinc/40/45/69/1051404569.db2.gz SSKMSXCJKKOSSK-LBPRGKRZSA-N 0 3 307.235 4.110 20 30 DIEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001168871558 1051456024 /nfs/dbraw/zinc/45/60/24/1051456024.db2.gz BMWPDENIPUROSA-HXUWFJFHSA-N 0 3 322.452 4.139 20 30 DIEDHN CC(C)[C@@H](C#N)N1CCN([C@@H](C)c2cccc3ccccc32)CC1 ZINC001168873701 1051461031 /nfs/dbraw/zinc/46/10/31/1051461031.db2.gz RMOCYJDBXJTJSU-LAUBAEHRSA-N 0 3 321.468 4.067 20 30 DIEDHN CC(C)[C@@H](C#N)N1CCN([C@H](C)c2cccc3ccccc32)CC1 ZINC001168873699 1051461668 /nfs/dbraw/zinc/46/16/68/1051461668.db2.gz RMOCYJDBXJTJSU-DYESRHJHSA-N 0 3 321.468 4.067 20 30 DIEDHN C[C@H](CCc1c(F)cc(Cl)cc1F)NCC1(C#N)CCC1 ZINC001172577550 1051463441 /nfs/dbraw/zinc/46/34/41/1051463441.db2.gz UUULTAVKWFCPGQ-LLVKDONJSA-N 0 3 312.791 4.223 20 30 DIEDHN C[C@@H]1CCCCN1c1cccc(NC23CCC(C#N)(CC2)CC3)n1 ZINC001169748355 1051686106 /nfs/dbraw/zinc/68/61/06/1051686106.db2.gz WDWTXRKYYRWEEH-PBPGXSGUSA-N 0 3 324.472 4.489 20 30 DIEDHN C=CCCCCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000806167760 1051768673 /nfs/dbraw/zinc/76/86/73/1051768673.db2.gz IUOJZFHZDMITIJ-IBGZPJMESA-N 0 3 315.436 4.375 20 30 DIEDHN C=CCCCCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000806189895 1051770730 /nfs/dbraw/zinc/77/07/30/1051770730.db2.gz ZWBFQQWRQZUUNL-UHFFFAOYSA-N 0 3 303.450 4.006 20 30 DIEDHN CN(C)Cc1ccccc1Nc1cccc(C(F)(F)F)c1C#N ZINC001173932986 1051905211 /nfs/dbraw/zinc/90/52/11/1051905211.db2.gz WTLPKXWTSLVGBQ-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN N#Cc1ccc(CN(Cc2cncc3ccccc32)C2CC2)cc1 ZINC000768256315 1051908885 /nfs/dbraw/zinc/90/88/85/1051908885.db2.gz BUNSLLJQULHOQB-UHFFFAOYSA-N 0 3 313.404 4.271 20 30 DIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000176535788 1051919462 /nfs/dbraw/zinc/91/94/62/1051919462.db2.gz MBKQDTDQRVBIMO-WMLDXEAASA-N 0 3 312.413 4.204 20 30 DIEDHN N#Cc1ccc(CNC2(c3ccc(F)cc3)CCCC2)cc1F ZINC000192100183 1051996332 /nfs/dbraw/zinc/99/63/32/1051996332.db2.gz FQDDJSFHGDZHRJ-UHFFFAOYSA-N 0 3 312.363 4.396 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000192975277 1052025676 /nfs/dbraw/zinc/02/56/76/1052025676.db2.gz FWYSQEALZHPUMI-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN C=CC[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccncc1 ZINC000769519983 1052074708 /nfs/dbraw/zinc/07/47/08/1052074708.db2.gz VCDJLCJGVPDPEI-GOSISDBHSA-N 0 3 324.424 4.134 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006598 1052141137 /nfs/dbraw/zinc/14/11/37/1052141137.db2.gz YNDIRZLFIIXILK-GIPNMCIBSA-N 0 3 311.212 4.099 20 30 DIEDHN CC(C)(C)c1cccc(C#N)c1O[C@H]1CNCc2ccccc21 ZINC001218489949 1052249826 /nfs/dbraw/zinc/24/98/26/1052249826.db2.gz QBVYQOJDQDKCTK-SFHVURJKSA-N 0 3 306.409 4.079 20 30 DIEDHN CCCCCCC[C@@H](C)C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218710650 1052254641 /nfs/dbraw/zinc/25/46/41/1052254641.db2.gz GTWIRKYRPIOETC-ZIAGYGMSSA-N 0 3 307.438 4.034 20 30 DIEDHN C[C@H](c1ccccn1)N1CCC[C@H](OCCCCCCC#N)C1 ZINC001224376679 1052692159 /nfs/dbraw/zinc/69/21/59/1052692159.db2.gz URAORGSTMTWJRL-MSOLQXFVSA-N 0 3 315.461 4.098 20 30 DIEDHN C=CCCCCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224508537 1052703485 /nfs/dbraw/zinc/70/34/85/1052703485.db2.gz YWDQPVNJOWCXNE-WGSAOQKQSA-N 0 3 309.494 4.173 20 30 DIEDHN N#CC1CCC(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000929973122 1052721779 /nfs/dbraw/zinc/72/17/79/1052721779.db2.gz WNBWFBQMICTCKO-UHFFFAOYSA-N 0 3 324.424 4.317 20 30 DIEDHN N#CC1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000929973122 1052721783 /nfs/dbraw/zinc/72/17/83/1052721783.db2.gz WNBWFBQMICTCKO-UHFFFAOYSA-N 0 3 324.424 4.317 20 30 DIEDHN Cc1ccc(C2=CCN(CCOc3ccccc3C#N)CC2)cc1 ZINC000918736466 1052828984 /nfs/dbraw/zinc/82/89/84/1052828984.db2.gz NXJOMPKKOYGQIR-UHFFFAOYSA-N 0 3 318.420 4.035 20 30 DIEDHN CCc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000609766364 1052992292 /nfs/dbraw/zinc/99/22/92/1052992292.db2.gz SHIWDTHWEDQIBR-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1 ZINC000237564313 1053012660 /nfs/dbraw/zinc/01/26/60/1053012660.db2.gz HTJZAQCOEZRYAS-CQSZACIVSA-N 0 3 312.388 4.141 20 30 DIEDHN CCOc1cccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541904 1053065677 /nfs/dbraw/zinc/06/56/77/1053065677.db2.gz IHOZHVHWPGOCMF-JKSUJKDBSA-N 0 3 324.424 4.399 20 30 DIEDHN C#C[C@H](Oc1ccc2ccccc2c1CN(C)C)c1ccncc1 ZINC001228440478 1053104250 /nfs/dbraw/zinc/10/42/50/1053104250.db2.gz DMXCRAYLMXHPCG-FQEVSTJZSA-N 0 3 316.404 4.050 20 30 DIEDHN C=CCc1ccccc1O[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001228847477 1053193118 /nfs/dbraw/zinc/19/31/18/1053193118.db2.gz UMIZVBXIXBDGHU-PKOBYXMFSA-N 0 3 322.452 4.415 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001319123856 1053219333 /nfs/dbraw/zinc/21/93/33/1053219333.db2.gz UVQXTHKTWBRVAD-FQEVSTJZSA-N 0 3 320.436 4.146 20 30 DIEDHN C=CCN(Cc1ccc(OC(F)F)cc1OC(F)F)C(C)C ZINC001319695177 1053264574 /nfs/dbraw/zinc/26/45/74/1053264574.db2.gz PVYZNBADLMRNHT-UHFFFAOYSA-N 0 3 321.314 4.286 20 30 DIEDHN CN1CCC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229373694 1053308897 /nfs/dbraw/zinc/30/88/97/1053308897.db2.gz CWLFPGGJIOJWDR-SFHVURJKSA-N 0 3 312.388 4.049 20 30 DIEDHN C=C[C@@H](COC)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306062 1053323060 /nfs/dbraw/zinc/32/30/60/1053323060.db2.gz LRUJHOGOFCLBKG-WFASDCNBSA-N 0 3 313.413 4.169 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569866 1053324798 /nfs/dbraw/zinc/32/47/98/1053324798.db2.gz AZFVXXXNSVINNV-ORAYPTAESA-N 0 3 321.380 4.195 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427563 1053333717 /nfs/dbraw/zinc/33/37/17/1053333717.db2.gz GKZBAQIHTGHYRZ-WCQYABFASA-N 0 3 320.433 4.109 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCc3ccc(F)cc32)C1 ZINC001320548623 1053343716 /nfs/dbraw/zinc/34/37/16/1053343716.db2.gz GSXNICVSROSFCU-SKINQDTJSA-N 0 3 306.384 4.027 20 30 DIEDHN CCOc1cccc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320570052 1053345388 /nfs/dbraw/zinc/34/53/88/1053345388.db2.gz ZYCJLFKQIPKTDF-YLZJTPGZSA-N 0 3 320.436 4.360 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591274 1053348373 /nfs/dbraw/zinc/34/83/73/1053348373.db2.gz DDNIRXVSFVJWNQ-VQIMIIECSA-N 0 3 311.425 4.117 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(F)cc(Cl)c1 ZINC000618743055 1053360588 /nfs/dbraw/zinc/36/05/88/1053360588.db2.gz VHKBPHMPLUXFFN-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2cccc(C(F)F)c2)cc1 ZINC001320868465 1053370183 /nfs/dbraw/zinc/37/01/83/1053370183.db2.gz FJJJLSVOQUBDGV-AWEZNQCLSA-N 0 3 315.363 4.487 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(C(F)F)c2)cc1 ZINC001320868466 1053370479 /nfs/dbraw/zinc/37/04/79/1053370479.db2.gz FJJJLSVOQUBDGV-CQSZACIVSA-N 0 3 315.363 4.487 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2ccc(F)cc21 ZINC000618804650 1053370671 /nfs/dbraw/zinc/37/06/71/1053370671.db2.gz BWUBSYPNFZCCCS-PMACEKPBSA-N 0 3 306.384 4.352 20 30 DIEDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618803188 1053371067 /nfs/dbraw/zinc/37/10/67/1053371067.db2.gz HJJBUWNKPSFBCE-IFXJQAMLSA-N 0 3 306.409 4.213 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804780 1053371684 /nfs/dbraw/zinc/37/16/84/1053371684.db2.gz MJYGTWGCXZGIFP-VBKZILBWSA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2c1cc(F)cc2F ZINC000618808144 1053372852 /nfs/dbraw/zinc/37/28/52/1053372852.db2.gz ZINOUOCMCKAXMP-RTBURBONSA-N 0 3 310.347 4.101 20 30 DIEDHN CC(C)N(Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000619069243 1053426780 /nfs/dbraw/zinc/42/67/80/1053426780.db2.gz HLZJDRBTADKEIA-UHFFFAOYSA-N 0 3 303.409 4.450 20 30 DIEDHN CC[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229938369 1053433850 /nfs/dbraw/zinc/43/38/50/1053433850.db2.gz VHXVVJZFLCDXAF-AQRZYSDFSA-N 0 3 324.424 4.006 20 30 DIEDHN CC[N@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229938369 1053433864 /nfs/dbraw/zinc/43/38/64/1053433864.db2.gz VHXVVJZFLCDXAF-AQRZYSDFSA-N 0 3 324.424 4.006 20 30 DIEDHN C=C(C)CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001322060994 1053451883 /nfs/dbraw/zinc/45/18/83/1053451883.db2.gz TYNPXMVKAYRXPO-UHFFFAOYSA-N 0 3 306.749 4.174 20 30 DIEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000182764475 1053507508 /nfs/dbraw/zinc/50/75/08/1053507508.db2.gz OAHCEYSWDKIVTP-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN Cc1c(F)cccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182774745 1053512320 /nfs/dbraw/zinc/51/23/20/1053512320.db2.gz WIVIKAMRZVJFTP-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN COc1cc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)ccc1C#N ZINC000619654380 1053525094 /nfs/dbraw/zinc/52/50/94/1053525094.db2.gz FKYOPBNEKDLZQY-RNODOKPDSA-N 0 3 324.399 4.119 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000619754661 1053545824 /nfs/dbraw/zinc/54/58/24/1053545824.db2.gz GXFRFFCBOPAJGL-SFHVURJKSA-N 0 3 314.816 4.461 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619755868 1053550445 /nfs/dbraw/zinc/55/04/45/1053550445.db2.gz WSXYSDLYRGSWGD-LJQANCHMSA-N 0 3 321.811 4.251 20 30 DIEDHN N#Cc1ccc(CNC/C=C/c2ccc(F)cc2)cc1Cl ZINC000619748635 1053555001 /nfs/dbraw/zinc/55/50/01/1053555001.db2.gz PJISAKMUEMKLIJ-OWOJBTEDSA-N 0 3 300.764 4.154 20 30 DIEDHN Cc1cc2cc(CNC3CC(C#N)(c4ccccc4)C3)ccc2[nH]1 ZINC001323982305 1053615573 /nfs/dbraw/zinc/61/55/73/1053615573.db2.gz WIOPYPYPTCBVJF-UHFFFAOYSA-N 0 3 315.420 4.190 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021205 1053617246 /nfs/dbraw/zinc/61/72/46/1053617246.db2.gz HEDJYHKYPBVTAC-XJKSGUPXSA-N 0 3 316.470 4.279 20 30 DIEDHN Cc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000183279723 1053622245 /nfs/dbraw/zinc/62/22/45/1053622245.db2.gz GKXBKFQXNXTDBR-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN C=CCc1cccc(O[C@H]2CCCN([C@@H](C)c3ccccn3)C2)c1 ZINC001231010032 1053649460 /nfs/dbraw/zinc/64/94/60/1053649460.db2.gz NEGAFUOZMAWNCQ-PXNSSMCTSA-N 0 3 322.452 4.415 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2cccc(OCC#N)c2)cc1 ZINC001324840786 1053683147 /nfs/dbraw/zinc/68/31/47/1053683147.db2.gz HPFDJILQFVPNPH-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN C=C(CNCc1cccc(OC)c1OC(F)F)c1ccccc1 ZINC000620757805 1053729743 /nfs/dbraw/zinc/72/97/43/1053729743.db2.gz KRZPYTXSDMCOIQ-UHFFFAOYSA-N 0 3 319.351 4.100 20 30 DIEDHN C=CC[C@@H](C)NCc1cc(Cl)c(C)cc1Br ZINC001200526893 1053735913 /nfs/dbraw/zinc/73/59/13/1053735913.db2.gz XHEMXTOCBBGVIP-SNVBAGLBSA-N 0 3 302.643 4.465 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)c1c(C)cnc2ccccc21 ZINC001326475964 1053784985 /nfs/dbraw/zinc/78/49/85/1053784985.db2.gz WFNKLIUCSPLTIN-UHFFFAOYSA-N 0 3 322.408 4.211 20 30 DIEDHN Cc1oc2ccccc2c1[C@H](C)NCc1cccc(OCC#N)c1 ZINC001354229173 1053802076 /nfs/dbraw/zinc/80/20/76/1053802076.db2.gz OGSLXPHDPKRJJJ-AWEZNQCLSA-N 0 3 320.392 4.494 20 30 DIEDHN C=CCOc1cccc(CN2CCC(Oc3ccccc3)CC2)c1 ZINC001231620750 1053805313 /nfs/dbraw/zinc/80/53/13/1053805313.db2.gz AMPNAIWXOFZXFN-UHFFFAOYSA-N 0 3 323.436 4.295 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OC(C)(C)C)cc1 ZINC001231807149 1053864369 /nfs/dbraw/zinc/86/43/69/1053864369.db2.gz XGVRNINRBPXMHQ-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001231843533 1053886445 /nfs/dbraw/zinc/88/64/45/1053886445.db2.gz XNJHMIWRVGGAOS-UHFFFAOYSA-N 0 3 319.449 4.217 20 30 DIEDHN N#CCCN(Cc1cc2c[nH]ccc-2n1)Cc1ccc(Cl)cc1 ZINC001232015263 1053944337 /nfs/dbraw/zinc/94/43/37/1053944337.db2.gz DTMSCBZRYGCLLR-UHFFFAOYSA-N 0 3 324.815 4.132 20 30 DIEDHN N#CCCN(Cc1cc2cnccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001232015263 1053944350 /nfs/dbraw/zinc/94/43/50/1053944350.db2.gz DTMSCBZRYGCLLR-UHFFFAOYSA-N 0 3 324.815 4.132 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001232115671 1053964680 /nfs/dbraw/zinc/96/46/80/1053964680.db2.gz YZDAELWAJZFEDZ-KRWDZBQOSA-N 0 3 310.828 4.276 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC001232115437 1053965796 /nfs/dbraw/zinc/96/57/96/1053965796.db2.gz OXSBOAGTQKABAA-INIZCTEOSA-N 0 3 314.791 4.340 20 30 DIEDHN CN(Cc1ccc(C#N)c(Cl)c1)Cc1cccc2cccnc21 ZINC001232115515 1053966551 /nfs/dbraw/zinc/96/65/51/1053966551.db2.gz SAIYXHJKFKMDST-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN C[C@H](c1cccc2ccccc21)N(C)Cc1cc(C#N)ccn1 ZINC001232479899 1054056107 /nfs/dbraw/zinc/05/61/07/1054056107.db2.gz BGMHTXMTQNOWRY-OAHLLOKOSA-N 0 3 301.393 4.299 20 30 DIEDHN Cc1cccc(F)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001232483617 1054058259 /nfs/dbraw/zinc/05/82/59/1054058259.db2.gz MAKQZFCMGCBHCX-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN C=CCCCCN(C)Cc1cc(OCc2ccccc2)ccn1 ZINC001232590568 1054076150 /nfs/dbraw/zinc/07/61/50/1054076150.db2.gz ZLOISQBSUWUAOA-UHFFFAOYSA-N 0 3 310.441 4.449 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](CCc3ccccc3)C2)s1 ZINC001232845300 1054129872 /nfs/dbraw/zinc/12/98/72/1054129872.db2.gz SWEUTQJEDHTVJC-QGZVFWFLSA-N 0 3 310.466 4.465 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232890345 1054142207 /nfs/dbraw/zinc/14/22/07/1054142207.db2.gz SQYRNZBQUGGQKV-OHFIKTQHSA-N 0 3 321.399 4.154 20 30 DIEDHN C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(F)ccc1[O-] ZINC000848566623 1054153218 /nfs/dbraw/zinc/15/32/18/1054153218.db2.gz CLZQWXDPKGYJOZ-ZDUSSCGKSA-N 0 3 310.372 4.133 20 30 DIEDHN Nc1ccc(CN2CCC(C#Cc3ccccc3)CC2)c(Cl)c1 ZINC001233377194 1054254317 /nfs/dbraw/zinc/25/43/17/1054254317.db2.gz SRWWZRCLMUFKQI-UHFFFAOYSA-N 0 3 324.855 4.186 20 30 DIEDHN CCCCCCCCC[C@H](C)CC(=O)N1CCCN(C)CC1 ZINC001440405815 1054349654 /nfs/dbraw/zinc/34/96/54/1054349654.db2.gz LYUBXWMCQNRDHR-SFHVURJKSA-N 0 3 310.526 4.317 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991352 1054374381 /nfs/dbraw/zinc/37/43/81/1054374381.db2.gz MKNSNKUBWONGGU-SJLPKXTDSA-N 0 3 303.377 4.403 20 30 DIEDHN N#CC(C(=O)C12CCC(CC1)CC2)c1ccc2ccccc2n1 ZINC001341839611 1054410512 /nfs/dbraw/zinc/41/05/12/1054410512.db2.gz XFLSRRPLUYMVRS-CZDRUDQFSA-N 0 3 304.393 4.381 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001443332559 1054446801 /nfs/dbraw/zinc/44/68/01/1054446801.db2.gz IFOPTRSISCVQJD-HKUYNNGSSA-N 0 3 322.537 4.316 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC001344322728 1054465605 /nfs/dbraw/zinc/46/56/05/1054465605.db2.gz WSCXAIUBROZHNT-HLLBOEOZSA-N 0 3 321.424 4.069 20 30 DIEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369462 1054467125 /nfs/dbraw/zinc/46/71/25/1054467125.db2.gz WJXWNPQMAUTPES-VXGBXAGGSA-N 0 3 313.788 4.139 20 30 DIEDHN C=CC[C@H](CCCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234240028 1054467289 /nfs/dbraw/zinc/46/72/89/1054467289.db2.gz AKXJLRDDHJLHPG-OAHLLOKOSA-N 0 3 309.425 4.410 20 30 DIEDHN C=CCOc1ccccc1[C@H](C)Oc1cccc2c1CCN(C)C2 ZINC001234424444 1054520642 /nfs/dbraw/zinc/52/06/42/1054520642.db2.gz PXOKZLKRXIGYHX-INIZCTEOSA-N 0 3 323.436 4.379 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C1CCC(c2ccccc2)CC1 ZINC001346097055 1054527518 /nfs/dbraw/zinc/52/75/18/1054527518.db2.gz WWUFSZXFOAGSFU-DAWZGUTISA-N 0 3 321.424 4.053 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC001346095495 1054528426 /nfs/dbraw/zinc/52/84/26/1054528426.db2.gz FHTKUABUQMULSE-QGZVFWFLSA-N 0 3 323.440 4.010 20 30 DIEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775770 1054533357 /nfs/dbraw/zinc/53/33/57/1054533357.db2.gz CSVHYBBMMHRTDA-RHSMWYFYSA-N 0 3 324.428 4.009 20 30 DIEDHN CCOc1cccc(CNCc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000073012178 1054614745 /nfs/dbraw/zinc/61/47/45/1054614745.db2.gz JAKJZUSBXIGJTG-SFHVURJKSA-N 0 3 324.424 4.056 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)s2)c1 ZINC000073012428 1054615443 /nfs/dbraw/zinc/61/54/43/1054615443.db2.gz SDXVEKBBMBYISA-OAHLLOKOSA-N 0 3 300.427 4.027 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N(CC)C1CCN(C)CC1 ZINC001449965082 1054632533 /nfs/dbraw/zinc/63/25/33/1054632533.db2.gz BJVCCTDLULCTOV-KRWDZBQOSA-N 0 3 310.526 4.316 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000180042927 1054729989 /nfs/dbraw/zinc/72/99/89/1054729989.db2.gz PBXWYSSDDREQTA-LJQANCHMSA-N 0 3 306.409 4.364 20 30 DIEDHN CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1CC#N ZINC001235529439 1054738352 /nfs/dbraw/zinc/73/83/52/1054738352.db2.gz MQCRTNDVWWXHJS-UHFFFAOYSA-N 0 3 318.342 4.403 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C(C)(C)CCCc1ccccc1 ZINC001349703666 1054786447 /nfs/dbraw/zinc/78/64/47/1054786447.db2.gz ZBBKGOFCEMYDMP-KRWDZBQOSA-N 0 3 323.440 4.128 20 30 DIEDHN C=CC(C)(C)CCN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000624037262 1054864236 /nfs/dbraw/zinc/86/42/36/1054864236.db2.gz SZTDCFCGHGFMPT-IBGZPJMESA-N 0 3 310.441 4.372 20 30 DIEDHN Cc1ccc(C#N)c(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001236468638 1055129824 /nfs/dbraw/zinc/12/98/24/1055129824.db2.gz ADKIJWPSWIAHIV-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN Cc1nc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1C#N ZINC001236471895 1055131236 /nfs/dbraw/zinc/13/12/36/1055131236.db2.gz NOLVLPAPFKGSBD-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN Cc1c(C#N)ccnc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236472247 1055131271 /nfs/dbraw/zinc/13/12/71/1055131271.db2.gz ZABLYBYRZDXACJ-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN [O-]N=Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001236475403 1055135296 /nfs/dbraw/zinc/13/52/96/1055135296.db2.gz OPJNNXVUOBRDRR-UXHICEINSA-N 0 3 318.420 4.315 20 30 DIEDHN [O-]N=Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001236475403 1055135299 /nfs/dbraw/zinc/13/52/99/1055135299.db2.gz OPJNNXVUOBRDRR-UXHICEINSA-N 0 3 318.420 4.315 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(C#N)cc2F)ccc1F ZINC001236534471 1055165097 /nfs/dbraw/zinc/16/50/97/1055165097.db2.gz GDGHAAHPROHDHN-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN N#Cc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)c(F)c1 ZINC001236535026 1055166856 /nfs/dbraw/zinc/16/68/56/1055166856.db2.gz SGSQVDSKTDZTEP-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN C=C(C)CN(CC)Cc1cc(F)c(F)c(Br)c1 ZINC001236860884 1055294826 /nfs/dbraw/zinc/29/48/26/1055294826.db2.gz RMTQJUQBIMKVBR-UHFFFAOYSA-N 0 3 304.178 4.125 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(-n2ccnc2)cc1Cl ZINC001236916915 1055316851 /nfs/dbraw/zinc/31/68/51/1055316851.db2.gz AQKLZIIXKHZLRO-UHFFFAOYSA-N 0 3 303.837 4.314 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000765016645 1055316895 /nfs/dbraw/zinc/31/68/95/1055316895.db2.gz XLHRLGSDAIURSE-QGZVFWFLSA-N 0 3 316.351 4.401 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237020565 1055344008 /nfs/dbraw/zinc/34/40/08/1055344008.db2.gz OYVRTRVAJQSORD-OAHLLOKOSA-N 0 3 310.828 4.247 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccc(OC)c2)cc1 ZINC000765251954 1055344217 /nfs/dbraw/zinc/34/42/17/1055344217.db2.gz PQGAHQHHOOKOFJ-HOTGVXAUSA-N 0 3 309.409 4.119 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc2cccc(Br)c2n1 ZINC001237172870 1055395645 /nfs/dbraw/zinc/39/56/45/1055395645.db2.gz BXMPIBLJGOMTCT-UHFFFAOYSA-N 0 3 319.246 4.395 20 30 DIEDHN C#Cc1ccc(CN2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)cc1 ZINC001237245857 1055407931 /nfs/dbraw/zinc/40/79/31/1055407931.db2.gz JTHLJDZLXUZOQK-AZUAARDMSA-N 0 3 322.839 4.105 20 30 DIEDHN C=C(C)CN(CC)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237342093 1055433813 /nfs/dbraw/zinc/43/38/13/1055433813.db2.gz IYPJPMHJRPRTJS-UHFFFAOYSA-N 0 3 304.434 4.432 20 30 DIEDHN CCCCCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001537815770 1055448144 /nfs/dbraw/zinc/44/81/44/1055448144.db2.gz XVHMBXPJJVUFNY-APWZRJJASA-N 0 3 304.478 4.155 20 30 DIEDHN C=CCN(Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237473463 1055457777 /nfs/dbraw/zinc/45/77/77/1055457777.db2.gz KITBUEOGKKLJNU-UHFFFAOYSA-N 0 3 315.420 4.238 20 30 DIEDHN Cn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)c2cc(C#N)ccc21 ZINC001237471794 1055458074 /nfs/dbraw/zinc/45/80/74/1055458074.db2.gz ZQGVQENDGSGREK-LPHOPBHVSA-N 0 3 307.441 4.205 20 30 DIEDHN Cn1cc(CN2CCC[C@H]3CCCC[C@H]32)c2cc(C#N)ccc21 ZINC001237471797 1055459171 /nfs/dbraw/zinc/45/91/71/1055459171.db2.gz ZQGVQENDGSGREK-VQIMIIECSA-N 0 3 307.441 4.205 20 30 DIEDHN C=C(C)COCCNCc1ccc(-c2ccccc2)cc1OC ZINC001620855144 1055482809 /nfs/dbraw/zinc/48/28/09/1055482809.db2.gz LXBSAVLKDQXBSW-UHFFFAOYSA-N 0 3 311.425 4.045 20 30 DIEDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC(S)CC1 ZINC001237644504 1055493033 /nfs/dbraw/zinc/49/30/33/1055493033.db2.gz CPMHDBAOXBDPIT-UHFFFAOYSA-N 0 3 317.429 4.093 20 30 DIEDHN CC1(C#N)CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237643784 1055493212 /nfs/dbraw/zinc/49/32/12/1055493212.db2.gz BYOYYSXQCBNBCT-UHFFFAOYSA-N 0 3 324.399 4.324 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001595503366 1055604850 /nfs/dbraw/zinc/60/48/50/1055604850.db2.gz SGWHTGWYSRKARJ-LJQANCHMSA-N 0 3 316.489 4.128 20 30 DIEDHN C[C@@H](NC[C@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531848 1055628960 /nfs/dbraw/zinc/62/89/60/1055628960.db2.gz VHTZMJPKAKVNLM-MSOLQXFVSA-N 0 3 317.436 4.240 20 30 DIEDHN N#CCC1CCN(Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238556836 1055687588 /nfs/dbraw/zinc/68/75/88/1055687588.db2.gz YZFLODXPCNNTAB-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](C#N)CC2)cnc1-c1ccccc1 ZINC001238615415 1055698395 /nfs/dbraw/zinc/69/83/95/1055698395.db2.gz ORYWZOGMQWSZFO-QGZVFWFLSA-N 0 3 305.425 4.183 20 30 DIEDHN CN1CCCC[C@H]1c1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239292529 1055861121 /nfs/dbraw/zinc/86/11/21/1055861121.db2.gz WYHMZOCGHKCMMC-BQYDLMEBSA-N 0 3 303.409 4.280 20 30 DIEDHN N#Cc1ccc(/C=C/c2cncc(CN3CCCCC3)c2)cc1 ZINC001239303663 1055862524 /nfs/dbraw/zinc/86/25/24/1055862524.db2.gz VDUHMABOGAOMNK-RMKNXTFCSA-N 0 3 303.409 4.110 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001569790893 1055873767 /nfs/dbraw/zinc/87/37/67/1055873767.db2.gz SHMUEQDDTNLMFB-ROUUACIJSA-N 0 3 322.537 4.316 20 30 DIEDHN C[C@@H]1CC[C@H](C)N(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645450 1055927357 /nfs/dbraw/zinc/92/73/57/1055927357.db2.gz YZOQHVPBYCJISK-KGLIPLIRSA-N 0 3 311.347 4.057 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3cc(C)ccc32)cc1OC ZINC001620767932 1055937133 /nfs/dbraw/zinc/93/71/33/1055937133.db2.gz PYICQWCDHDHPPP-LJQANCHMSA-N 0 3 323.436 4.346 20 30 DIEDHN C=CCC1(NCc2nccc(C)c2Br)CCCC1 ZINC001621006386 1055972462 /nfs/dbraw/zinc/97/24/62/1055972462.db2.gz HTQJEMLJAADNHK-UHFFFAOYSA-N 0 3 309.251 4.131 20 30 DIEDHN CC[C@](C)(NCc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC001621030194 1055992763 /nfs/dbraw/zinc/99/27/63/1055992763.db2.gz XTKJRDFSEHYANY-IBGZPJMESA-N 0 3 312.388 4.121 20 30 DIEDHN C=CC(C)(C)CCCNCc1cc(C#N)ccc1Br ZINC001621057089 1056014299 /nfs/dbraw/zinc/01/42/99/1056014299.db2.gz QIEIECVJYVZRQL-UHFFFAOYSA-N 0 3 321.262 4.403 20 30 DIEDHN CC(C)(C)CCCNCc1cc(C#N)ccc1Br ZINC001620807070 1056001739 /nfs/dbraw/zinc/00/17/39/1056001739.db2.gz JOPLSXJBBYTMMN-UHFFFAOYSA-N 0 3 309.251 4.237 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000131516564 1056063598 /nfs/dbraw/zinc/06/35/98/1056063598.db2.gz HRYKUBHCGKPTLI-SJKOYZFVSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000131516564 1056063608 /nfs/dbraw/zinc/06/36/08/1056063608.db2.gz HRYKUBHCGKPTLI-SJKOYZFVSA-N 0 3 324.380 4.063 20 30 DIEDHN CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000131543667 1056098770 /nfs/dbraw/zinc/09/87/70/1056098770.db2.gz RIEHTLKYLIMGPF-BBRMVZONSA-N 0 3 300.402 4.038 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000131561034 1056124576 /nfs/dbraw/zinc/12/45/76/1056124576.db2.gz HJCFZRMCUAGSAX-LRDDRELGSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000131561034 1056124589 /nfs/dbraw/zinc/12/45/89/1056124589.db2.gz HJCFZRMCUAGSAX-LRDDRELGSA-N 0 3 324.380 4.063 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)cn1 ZINC000554497299 1056356981 /nfs/dbraw/zinc/35/69/81/1056356981.db2.gz LLZCDFLXJVRDCW-UHFFFAOYSA-N 0 3 313.832 4.265 20 30 DIEDHN N#Cc1cccc(CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000057872126 1056452782 /nfs/dbraw/zinc/45/27/82/1056452782.db2.gz DLFCHRDFROATMY-UHFFFAOYSA-N 0 3 317.392 4.079 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1csc(C#N)c1 ZINC000921818824 1056514519 /nfs/dbraw/zinc/51/45/19/1056514519.db2.gz YYOYHVFGXKFZIQ-GTNSWQLSSA-N 0 3 300.402 4.172 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1csc(C#N)c1 ZINC000921818823 1056514549 /nfs/dbraw/zinc/51/45/49/1056514549.db2.gz YYOYHVFGXKFZIQ-DIFFPNOSSA-N 0 3 300.402 4.172 20 30 DIEDHN C[C@H]1c2cc(F)cc(F)c2CCN1CC1CCC(C#N)CC1 ZINC001616333140 1056635289 /nfs/dbraw/zinc/63/52/89/1056635289.db2.gz XHUBZZKKPDBLNT-HSBZDZAISA-N 0 3 304.384 4.214 20 30 DIEDHN COCC#CCN[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001616601591 1056684159 /nfs/dbraw/zinc/68/41/59/1056684159.db2.gz VXZDQDATMYLXMM-INIZCTEOSA-N 0 3 313.363 4.032 20 30 DIEDHN N#CCCC[C@@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000922144627 1056845245 /nfs/dbraw/zinc/84/52/45/1056845245.db2.gz HFWYVQLQGUQGNG-HXUWFJFHSA-N 0 3 319.452 4.485 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2cc(C)cc(C)c2)CCCC1(C)C ZINC001617604299 1056856879 /nfs/dbraw/zinc/85/68/79/1056856879.db2.gz RQMRFJPTYNLCOC-GOSISDBHSA-N 0 3 314.473 4.309 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000785468994 1056989152 /nfs/dbraw/zinc/98/91/52/1056989152.db2.gz PIPHKOHMYXGFAJ-CQSZACIVSA-N 0 3 320.845 4.372 20 30 DIEDHN C=CCCC[C@H](NCc1cnn(CCF)c1)c1ccccc1 ZINC000922335456 1057011209 /nfs/dbraw/zinc/01/12/09/1057011209.db2.gz SDNBNCLAQCXWGN-SFHVURJKSA-N 0 3 301.409 4.040 20 30 DIEDHN Cc1cc(CN(C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000123875951 1057029711 /nfs/dbraw/zinc/02/97/11/1057029711.db2.gz MKPUYDOJZQJJIV-UHFFFAOYSA-N 0 3 301.393 4.047 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017398 1057106420 /nfs/dbraw/zinc/10/64/20/1057106420.db2.gz BICLMSPZKNWMJH-PBHICJAKSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@H](N[C@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018429 1057109106 /nfs/dbraw/zinc/10/91/06/1057109106.db2.gz HYAOBENPQPFSLR-MSOLQXFVSA-N 0 3 324.424 4.211 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020593 1057117761 /nfs/dbraw/zinc/11/77/61/1057117761.db2.gz QNOVFEWKQKREJJ-SUMWQHHRSA-N 0 3 300.377 4.197 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021408 1057121937 /nfs/dbraw/zinc/12/19/37/1057121937.db2.gz SSZXBEWNOBGMQW-KBXCAEBGSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCCc2ccc(OC)cc21)c1ccncc1 ZINC000766021925 1057122568 /nfs/dbraw/zinc/12/25/68/1057122568.db2.gz VOWJRUCRNCZHTM-UXHICEINSA-N 0 3 308.425 4.375 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023023 1057123655 /nfs/dbraw/zinc/12/36/55/1057123655.db2.gz ZMJNRWHCPSPEHT-RHSMWYFYSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023024 1057124237 /nfs/dbraw/zinc/12/42/37/1057124237.db2.gz ZMJNRWHCPSPEHT-WMLDXEAASA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023022 1057124244 /nfs/dbraw/zinc/12/42/44/1057124244.db2.gz ZMJNRWHCPSPEHT-PBHICJAKSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CCCC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000658100071 1057266919 /nfs/dbraw/zinc/26/69/19/1057266919.db2.gz ZNUXXAXFTCERCB-QGZVFWFLSA-N 0 3 310.445 4.010 20 30 DIEDHN Cc1cc(-c2ccc(F)c(CN3CCCCC3)c2)cnc1C#N ZINC001242357237 1057343486 /nfs/dbraw/zinc/34/34/86/1057343486.db2.gz MFLYOYSROUAQDP-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN CCCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173926692 1057346788 /nfs/dbraw/zinc/34/67/88/1057346788.db2.gz MPLGMONAYZRCOE-HNNXBMFYSA-N 0 3 321.424 4.148 20 30 DIEDHN N#Cc1cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)ccc1[O-] ZINC001242566394 1057406645 /nfs/dbraw/zinc/40/66/45/1057406645.db2.gz WUOMGBBGUDLAOZ-UHFFFAOYSA-N 0 3 310.372 4.056 20 30 DIEDHN N#Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1[O-] ZINC001242566422 1057407645 /nfs/dbraw/zinc/40/76/45/1057407645.db2.gz YQLSTYCLRDQYTQ-UHFFFAOYSA-N 0 3 310.372 4.056 20 30 DIEDHN CCCN1CCCC[C@@H]1c1ccc(C2=CC(=O)C[C@@H](C)C2)nc1 ZINC001242739499 1057464648 /nfs/dbraw/zinc/46/46/48/1057464648.db2.gz DNRDGLNGEFWWOX-MGPUTAFESA-N 0 3 312.457 4.401 20 30 DIEDHN C=CCC[C@H](NCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000676724303 1057498049 /nfs/dbraw/zinc/49/80/49/1057498049.db2.gz AJMQLOHVPDMXIM-HNNXBMFYSA-N 0 3 309.335 4.226 20 30 DIEDHN C[C@]1(NCc2ccc(C3(C#N)CC3)cc2)CCOc2ccccc21 ZINC000923026767 1057521975 /nfs/dbraw/zinc/52/19/75/1057521975.db2.gz WZYRMDTVGHOIGQ-FQEVSTJZSA-N 0 3 318.420 4.029 20 30 DIEDHN CC#Cc1cncc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001242941892 1057525152 /nfs/dbraw/zinc/52/51/52/1057525152.db2.gz GOCVNVCSUKDKAW-UHFFFAOYSA-N 0 3 308.400 4.245 20 30 DIEDHN CC(C)(C)C[C@@H](NCc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000611380275 1057593361 /nfs/dbraw/zinc/59/33/61/1057593361.db2.gz AGQQHECFCKQIQX-GOSISDBHSA-N 0 3 311.404 4.359 20 30 DIEDHN CC(C)Sc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611389645 1057598277 /nfs/dbraw/zinc/59/82/77/1057598277.db2.gz OYOOAVHKFVAFEV-AWEZNQCLSA-N 0 3 311.454 4.305 20 30 DIEDHN CC(C)Sc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000611389646 1057598414 /nfs/dbraw/zinc/59/84/14/1057598414.db2.gz OYOOAVHKFVAFEV-CQSZACIVSA-N 0 3 311.454 4.305 20 30 DIEDHN COc1cccc(C2(N[C@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000611475531 1057602402 /nfs/dbraw/zinc/60/24/02/1057602402.db2.gz OUMDZLUDZCILKX-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN N#Cc1ccccc1-c1ccc(CNCc2ccc(O)cc2)cc1 ZINC000611526283 1057605068 /nfs/dbraw/zinc/60/50/68/1057605068.db2.gz MWSYXUJFAFWBTQ-UHFFFAOYSA-N 0 3 314.388 4.221 20 30 DIEDHN CCCCSCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730422141 1057713214 /nfs/dbraw/zinc/71/32/14/1057713214.db2.gz UQPTWYBTUCIZBA-NSHDSACASA-N 0 3 322.430 4.145 20 30 DIEDHN N#Cc1ccccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845729 1057756005 /nfs/dbraw/zinc/75/60/05/1057756005.db2.gz ISLNXAIBFGMYJF-UHFFFAOYSA-N 0 3 306.409 4.209 20 30 DIEDHN N#Cc1ccccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845729 1057756007 /nfs/dbraw/zinc/75/60/07/1057756007.db2.gz ISLNXAIBFGMYJF-UHFFFAOYSA-N 0 3 306.409 4.209 20 30 DIEDHN CC(C)[C@@H](C#N)c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245426007 1058164523 /nfs/dbraw/zinc/16/45/23/1058164523.db2.gz LQPILRJTEVPKCE-LEWJYISDSA-N 0 3 324.468 4.218 20 30 DIEDHN CC[C@H](CC1CCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001518066607 1058311883 /nfs/dbraw/zinc/31/18/83/1058311883.db2.gz SQYNNPCIHCQOES-TZMCWYRMSA-N 0 3 306.356 4.143 20 30 DIEDHN C#CCN(Cc1ccc2cc[nH]c2c1)[C@H]1CCc2ccccc21 ZINC001559499045 1059283203 /nfs/dbraw/zinc/28/32/03/1059283203.db2.gz GRANNWBXLCUASX-NRFANRHFSA-N 0 3 300.405 4.291 20 30 DIEDHN C=CCN(CC1CCCCC1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC001559538439 1059340703 /nfs/dbraw/zinc/34/07/03/1059340703.db2.gz YJXVOYAYNZOSTQ-AWEZNQCLSA-N 0 3 305.418 4.196 20 30 DIEDHN FC(F)(F)Oc1ccc(C#CCN2C3CCCC2CCC3)cc1 ZINC001559541488 1059346469 /nfs/dbraw/zinc/34/64/69/1059346469.db2.gz QYHYXVULAWVVCK-UHFFFAOYSA-N 0 3 323.358 4.344 20 30 DIEDHN C#CCCCCCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC001559553045 1059365870 /nfs/dbraw/zinc/36/58/70/1059365870.db2.gz SBIJGJZWGQIHFZ-UHFFFAOYSA-N 0 3 318.530 4.012 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001559584740 1059419096 /nfs/dbraw/zinc/41/90/96/1059419096.db2.gz VWIPSUJNWGXCRX-UHFFFAOYSA-N 0 3 310.482 4.064 20 30 DIEDHN C=CCN(CCSCc1ccccc1)CCc1ccco1 ZINC001559689652 1059519401 /nfs/dbraw/zinc/51/94/01/1059519401.db2.gz UBOOSTHPPWQBSI-UHFFFAOYSA-N 0 3 301.455 4.244 20 30 DIEDHN CCCCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001559691940 1059520361 /nfs/dbraw/zinc/52/03/61/1059520361.db2.gz VWFNVALEEJEMMP-HOTGVXAUSA-N 0 3 312.498 4.287 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830984 1059664679 /nfs/dbraw/zinc/66/46/79/1059664679.db2.gz TXACMOYKUPKITC-MLGOLLRUSA-N 0 3 311.347 4.428 20 30 DIEDHN C=CC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001559982939 1059788803 /nfs/dbraw/zinc/78/88/03/1059788803.db2.gz ANZRQHLMOPFQPJ-INIZCTEOSA-N 0 3 323.358 4.225 20 30 DIEDHN C=CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)COC ZINC001559992437 1059798039 /nfs/dbraw/zinc/79/80/39/1059798039.db2.gz AFTXJAHKURKCQX-LLVKDONJSA-N 0 3 321.770 4.382 20 30 DIEDHN C=CCCCCN1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001559991198 1059798675 /nfs/dbraw/zinc/79/86/75/1059798675.db2.gz LUWTVCRVWSAAMO-SFHVURJKSA-N 0 3 315.457 4.284 20 30 DIEDHN CC[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1Br ZINC001560018571 1059828454 /nfs/dbraw/zinc/82/84/54/1059828454.db2.gz YMDFZECTYSTQRV-SWLSCSKDSA-N 0 3 321.262 4.474 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248520315 1059863128 /nfs/dbraw/zinc/86/31/28/1059863128.db2.gz QCOVBCBAJNRDEG-HNNXBMFYSA-N 0 3 310.828 4.247 20 30 DIEDHN CC[C@@H](NCc1c(C)cc(C#N)cc1C)c1ccccc1OC ZINC001560088074 1059899429 /nfs/dbraw/zinc/89/94/29/1059899429.db2.gz WNRVVMSRTNITJN-LJQANCHMSA-N 0 3 308.425 4.425 20 30 DIEDHN C=CCN(CC=C)Cc1ccc2nc(Br)sc2c1 ZINC001248592731 1059905506 /nfs/dbraw/zinc/90/55/06/1059905506.db2.gz WVIZHMFYIYCLKY-UHFFFAOYSA-N 0 3 323.259 4.233 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001248660381 1059928752 /nfs/dbraw/zinc/92/87/52/1059928752.db2.gz RPGLOJIATRNIAI-KRWDZBQOSA-N 0 3 315.457 4.106 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(C)nc1 ZINC001248752520 1059965826 /nfs/dbraw/zinc/96/58/26/1059965826.db2.gz OVRQXCPBOIHQST-HXUWFJFHSA-N 0 3 305.425 4.161 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCCc2ccc(OC)cc2C1 ZINC001248752578 1059967810 /nfs/dbraw/zinc/96/78/10/1059967810.db2.gz QWMNXUDYAYVNGM-UHFFFAOYSA-N 0 3 320.436 4.078 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(OCc2ccccc2)cn1 ZINC001248864182 1060026543 /nfs/dbraw/zinc/02/65/43/1060026543.db2.gz TUEJBTYGFPIKSC-UHFFFAOYSA-N 0 3 310.441 4.449 20 30 DIEDHN C=CC[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC001560338634 1060124756 /nfs/dbraw/zinc/12/47/56/1060124756.db2.gz GMHPGCRWHHUMEC-NRFANRHFSA-N 0 3 321.468 4.479 20 30 DIEDHN CCCCN(Cc1cnn2ccc(C#N)cc12)Cc1ccccc1 ZINC001249098426 1060153678 /nfs/dbraw/zinc/15/36/78/1060153678.db2.gz AFEMDBDBHOZOJX-UHFFFAOYSA-N 0 3 318.424 4.008 20 30 DIEDHN C=CC[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C(C)(C)C ZINC001249258195 1060204419 /nfs/dbraw/zinc/20/44/19/1060204419.db2.gz FSXQMDNHQYQRBY-UHFFFAOYSA-N 0 3 301.430 4.363 20 30 DIEDHN C=CC[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C(C)(C)C ZINC001249258195 1060204438 /nfs/dbraw/zinc/20/44/38/1060204438.db2.gz FSXQMDNHQYQRBY-UHFFFAOYSA-N 0 3 301.430 4.363 20 30 DIEDHN CCc1cc(OC)ccc1CNCc1ccc(C#N)c(Cl)c1 ZINC001560452235 1060241203 /nfs/dbraw/zinc/24/12/03/1060241203.db2.gz SAQFUOVMZOLUFL-UHFFFAOYSA-N 0 3 314.816 4.072 20 30 DIEDHN CCc1ccc(CN(C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429964 1060248126 /nfs/dbraw/zinc/24/81/26/1060248126.db2.gz XWIMPQDVSVIKCE-UHFFFAOYSA-N 0 3 303.409 4.234 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC001560478314 1060269982 /nfs/dbraw/zinc/26/99/82/1060269982.db2.gz SIMANIXAPOGMGL-UHFFFAOYSA-N 0 3 303.377 4.272 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H](Cc3ccccc3)C2)c1F ZINC001249685772 1060346300 /nfs/dbraw/zinc/34/63/00/1060346300.db2.gz QUJKMMSJKHKDNI-KRWDZBQOSA-N 0 3 308.400 4.152 20 30 DIEDHN COc1cc(CNCc2ccccc2CC(C)C)ccc1C#N ZINC001560541554 1060348894 /nfs/dbraw/zinc/34/88/94/1060348894.db2.gz ZTMBJNFHFALQQH-UHFFFAOYSA-N 0 3 308.425 4.055 20 30 DIEDHN C#CC1(NCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCC1 ZINC001560568811 1060377296 /nfs/dbraw/zinc/37/72/96/1060377296.db2.gz AJHYIHBJFNXLJQ-UHFFFAOYSA-N 0 3 322.235 4.305 20 30 DIEDHN CSc1ccc(CNCc2ccc(Cl)cc2)cc1C#N ZINC001560589728 1060403060 /nfs/dbraw/zinc/40/30/60/1060403060.db2.gz ZJEWXUAMXGJCOL-UHFFFAOYSA-N 0 3 302.830 4.223 20 30 DIEDHN CCCn1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC001560678555 1060515886 /nfs/dbraw/zinc/51/58/86/1060515886.db2.gz ICZNFXKOFXJRQV-UHFFFAOYSA-N 0 3 324.472 4.131 20 30 DIEDHN C#CCN(Cc1ccc(N(C)C)cc1C)[C@@H]1CCc2ccccc21 ZINC001560701478 1060558265 /nfs/dbraw/zinc/55/82/65/1060558265.db2.gz NLWVJFLWLDFORW-JOCHJYFZSA-N 0 3 318.464 4.184 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cc(C)nc2c1CCCC2 ZINC001560708829 1060565533 /nfs/dbraw/zinc/56/55/33/1060565533.db2.gz SZGNNIGGZVFDGL-UHFFFAOYSA-N 0 3 310.441 4.093 20 30 DIEDHN N#Cc1ccc(Cc2cccc(CN3CCCCC3)c2F)cc1 ZINC001250055735 1060573483 /nfs/dbraw/zinc/57/34/83/1060573483.db2.gz UWTHERAPDPUWLL-UHFFFAOYSA-N 0 3 308.400 4.274 20 30 DIEDHN C=CC[C@H](CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001560791163 1060652025 /nfs/dbraw/zinc/65/20/25/1060652025.db2.gz CEAIMRBRHCYSQT-SFHVURJKSA-N 0 3 311.425 4.416 20 30 DIEDHN C#C[C@@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865265 1060726241 /nfs/dbraw/zinc/72/62/41/1060726241.db2.gz VGAHDQUNVDZZAW-MAUKXSAKSA-N 0 3 320.823 4.253 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2nc3ccc(OC)cc3s2)C1 ZINC001560922915 1060788711 /nfs/dbraw/zinc/78/87/11/1060788711.db2.gz LSIWOIKLWCZVDS-CYBMUJFWSA-N 0 3 302.443 4.093 20 30 DIEDHN CC[C@H](C)CN(CC)Cc1ccc(C#N)cc1Br ZINC001473203622 1060968879 /nfs/dbraw/zinc/96/88/79/1060968879.db2.gz HDDAHZHGCBQZOP-LBPRGKRZSA-N 0 3 309.251 4.189 20 30 DIEDHN CC1(C)CCc2ccccc2[C@H](NCc2cccc(C#N)n2)C1 ZINC001462152022 1060973565 /nfs/dbraw/zinc/97/35/65/1060973565.db2.gz OITBVRZPQBVMCA-LJQANCHMSA-N 0 3 305.425 4.147 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCc2ccccc2[C@@H]1C(C)C ZINC001473221610 1060999942 /nfs/dbraw/zinc/99/99/42/1060999942.db2.gz BBRDODYJQDUWDC-NRFANRHFSA-N 0 3 320.436 4.322 20 30 DIEDHN CCCCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259694 1061035112 /nfs/dbraw/zinc/03/51/12/1061035112.db2.gz LKGYICDZEGTEHV-JKSUJKDBSA-N 0 3 306.475 4.035 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1C[C@H](C(C)C)[C@@H]1C(C)C ZINC001462237177 1061048607 /nfs/dbraw/zinc/04/86/07/1061048607.db2.gz ZXWVIRCPVWRSGP-BEFAXECRSA-N 0 3 319.876 4.464 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001473319493 1061084612 /nfs/dbraw/zinc/08/46/12/1061084612.db2.gz UXHHMGKKAFXMDU-WOJBJXKFSA-N 0 3 311.425 4.230 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001462366077 1061130211 /nfs/dbraw/zinc/13/02/11/1061130211.db2.gz VSAXZMNMUFINBP-CABCVRRESA-N 0 3 306.409 4.075 20 30 DIEDHN C=C(C)[C@@H](NCCN(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC001473400886 1061136215 /nfs/dbraw/zinc/13/62/15/1061136215.db2.gz VIVUDLWPCHCJJT-LJQANCHMSA-N 0 3 316.395 4.308 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001462413143 1061158064 /nfs/dbraw/zinc/15/80/64/1061158064.db2.gz JKINNXPSAHHVRA-CQSZACIVSA-N 0 3 321.486 4.492 20 30 DIEDHN C=C(Br)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001473452107 1061167998 /nfs/dbraw/zinc/16/79/98/1061167998.db2.gz KIBHDEYULXGYOJ-XHSDSOJGSA-N 0 3 306.247 4.163 20 30 DIEDHN CCO[C@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440443 1061173474 /nfs/dbraw/zinc/17/34/74/1061173474.db2.gz NIPJNPUCHTWZTM-IRXDYDNUSA-N 0 3 304.478 4.178 20 30 DIEDHN C=CCCCN(CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462637480 1061309344 /nfs/dbraw/zinc/30/93/44/1061309344.db2.gz WRTNXOIXJGINQK-UHFFFAOYSA-N 0 3 316.323 4.402 20 30 DIEDHN CCCCCCCN1CCN(Cc2ccc(CC)cc2)CC1 ZINC001473754064 1061393580 /nfs/dbraw/zinc/39/35/80/1061393580.db2.gz FJOTTYWRIHOGIH-UHFFFAOYSA-N 0 3 302.506 4.337 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473855561 1061434386 /nfs/dbraw/zinc/43/43/86/1061434386.db2.gz WAJFTJODWKXUPC-HNNXBMFYSA-N 0 3 317.820 4.321 20 30 DIEDHN Cc1cccc(CNCCSCc2ccccc2C#N)c1F ZINC001473915702 1061464196 /nfs/dbraw/zinc/46/41/96/1061464196.db2.gz HPTLUSXOLKUSML-UHFFFAOYSA-N 0 3 314.429 4.029 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1nc2ccccc2s1 ZINC001252131250 1061589566 /nfs/dbraw/zinc/58/95/66/1061589566.db2.gz KLZHVZCHLSXHRA-OAHLLOKOSA-N 0 3 320.502 4.497 20 30 DIEDHN CCCCCCCC[C@@H](O)CN[C@@H](c1ccc(F)cn1)C1CC1 ZINC001252139722 1061597812 /nfs/dbraw/zinc/59/78/12/1061597812.db2.gz QZNRQOSAIKFXFX-IEBWSBKVSA-N 0 3 322.468 4.373 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001464846460 1061639351 /nfs/dbraw/zinc/63/93/51/1061639351.db2.gz IEPUXBRUTDCHBD-YAINUAMHSA-N 0 3 320.521 4.236 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001464846456 1061640505 /nfs/dbraw/zinc/64/05/05/1061640505.db2.gz IEPUXBRUTDCHBD-JZHDPFOFSA-N 0 3 320.521 4.236 20 30 DIEDHN Cc1oc(-c2cccs2)nc1CNCC(C)(C)CCC#N ZINC001474168270 1061714270 /nfs/dbraw/zinc/71/42/70/1061714270.db2.gz XYKCFIODHFAALR-UHFFFAOYSA-N 0 3 303.431 4.131 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ncccc1C ZINC001252981035 1061772103 /nfs/dbraw/zinc/77/21/03/1061772103.db2.gz XYIJRPUEQLSIBK-SFHVURJKSA-N 0 3 306.494 4.371 20 30 DIEDHN CSc1ccc(CNCc2ccc3ncccc3c2)cc1C#N ZINC001474266776 1061833825 /nfs/dbraw/zinc/83/38/25/1061833825.db2.gz YMGXPFPFACNSHP-UHFFFAOYSA-N 0 3 319.433 4.118 20 30 DIEDHN C=CCCCCCC[C@H](O)CN1CCN(CCCCCC)CC1 ZINC001253240125 1061838191 /nfs/dbraw/zinc/83/81/91/1061838191.db2.gz ZQLWZJKTWRVWBG-FQEVSTJZSA-N 0 3 324.553 4.072 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1sccc1Cl ZINC001253254567 1061857034 /nfs/dbraw/zinc/85/70/34/1061857034.db2.gz CPEKNALTMZJVCM-ZDUSSCGKSA-N 0 3 301.883 4.379 20 30 DIEDHN C=CCCCCCC[C@H](O)CN1CCC(=O)[C@H](C)C12CCCC2 ZINC001253243295 1061842243 /nfs/dbraw/zinc/84/22/43/1061842243.db2.gz UDRXQGLSINYGSX-ROUUACIJSA-N 0 3 321.505 4.098 20 30 DIEDHN CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC001474274604 1061842375 /nfs/dbraw/zinc/84/23/75/1061842375.db2.gz FMUZQMCOZBLKEK-UHFFFAOYSA-N 0 3 314.816 4.028 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1sccc1Cl ZINC001253254566 1061856304 /nfs/dbraw/zinc/85/63/04/1061856304.db2.gz CPEKNALTMZJVCM-CYBMUJFWSA-N 0 3 301.883 4.379 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNC1(c2ccccc2OC)CC1 ZINC001253254325 1061856720 /nfs/dbraw/zinc/85/67/20/1061856720.db2.gz BEZPCPWELSLWCW-QGZVFWFLSA-N 0 3 317.473 4.161 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H](c1cccnc1F)C1CC1 ZINC001253255393 1061858349 /nfs/dbraw/zinc/85/83/49/1061858349.db2.gz YGQLBEPISADLPM-AEFFLSMTSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNC(C)(C)c1cc(Cl)ccn1 ZINC001253256821 1061859400 /nfs/dbraw/zinc/85/94/00/1061859400.db2.gz GDGVAMOBEDQZOA-MRXNPFEDSA-N 0 3 324.896 4.447 20 30 DIEDHN CCCCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1CN2C ZINC001253563425 1061927992 /nfs/dbraw/zinc/92/79/92/1061927992.db2.gz FRSHNKXCDGWMAV-UFYCRDLUSA-N 0 3 324.553 4.047 20 30 DIEDHN CCCCCCCCCCCC[C@H](O)CNCc1ccnnc1 ZINC001253565580 1061931988 /nfs/dbraw/zinc/93/19/88/1061931988.db2.gz QAXLNOXLDDNQFM-IBGZPJMESA-N 0 3 321.509 4.238 20 30 DIEDHN CCC(CC)CN(CCC#N)CCCc1ccc2c(c1)CCO2 ZINC001474339052 1061936489 /nfs/dbraw/zinc/93/64/89/1061936489.db2.gz BEMACMTUYVYKDY-UHFFFAOYSA-N 0 3 314.473 4.206 20 30 DIEDHN CN(CC#Cc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC001459312707 1062079364 /nfs/dbraw/zinc/07/93/64/1062079364.db2.gz FHTJVABUFMKEHJ-UHFFFAOYSA-N 0 3 303.380 4.462 20 30 DIEDHN C=CCN(Cc1cccc(Br)n1)CC1CCCCC1 ZINC001459475597 1062158059 /nfs/dbraw/zinc/15/80/59/1062158059.db2.gz ARRZCXIBFQILOL-UHFFFAOYSA-N 0 3 323.278 4.412 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N1CCCN(C)C[C@@H]1CC ZINC001467644701 1062172758 /nfs/dbraw/zinc/17/27/58/1062172758.db2.gz OSMKOVUZBXTISO-MSOLQXFVSA-N 0 3 310.526 4.316 20 30 DIEDHN C#C[C@@H](NCCCc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001474543678 1062235278 /nfs/dbraw/zinc/23/52/78/1062235278.db2.gz ARYOEFDWPLBCRJ-GOSISDBHSA-N 0 3 303.327 4.001 20 30 DIEDHN C#C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)(C)C ZINC001474562942 1062269058 /nfs/dbraw/zinc/26/90/58/1062269058.db2.gz DWFRUXCSJFOZFZ-INIZCTEOSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001459673581 1062295000 /nfs/dbraw/zinc/29/50/00/1062295000.db2.gz VMCBACXNKMUBTH-KXBFYZLASA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001459673567 1062295118 /nfs/dbraw/zinc/29/51/18/1062295118.db2.gz VMCBACXNKMUBTH-BEFAXECRSA-N 0 3 308.400 4.323 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018810 1062300160 /nfs/dbraw/zinc/30/01/60/1062300160.db2.gz KXOHIINOJAHXRR-VQIMIIECSA-N 0 3 311.425 4.117 20 30 DIEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC001459692398 1062312149 /nfs/dbraw/zinc/31/21/49/1062312149.db2.gz CSPSPCZLNWCCPX-QZTJIDSGSA-N 0 3 319.876 4.217 20 30 DIEDHN CC(C)CCO[C@H]1CC[C@H](NCc2cccc(F)c2C#N)CC1 ZINC001474629168 1062351248 /nfs/dbraw/zinc/35/12/48/1062351248.db2.gz UJVPVARGAHGBCN-QAQDUYKDSA-N 0 3 318.436 4.161 20 30 DIEDHN CCC#C[C@H](C)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760471 1062369205 /nfs/dbraw/zinc/36/92/05/1062369205.db2.gz MSZVOUVZNZBLHA-JSGCOSHPSA-N 0 3 312.240 4.248 20 30 DIEDHN N#Cc1ccc(CN(CCOC2CCCCCC2)C2CC2)cc1 ZINC001459816790 1062422831 /nfs/dbraw/zinc/42/28/31/1062422831.db2.gz FVQBLFCBGVJCRI-UHFFFAOYSA-N 0 3 312.457 4.262 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H]2CSCc3ccccc32)C1 ZINC001255453632 1062450974 /nfs/dbraw/zinc/45/09/74/1062450974.db2.gz HEADEHVGGJRRDY-SYYJFZTOSA-N 0 3 320.461 4.188 20 30 DIEDHN C#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC001474730971 1062452237 /nfs/dbraw/zinc/45/22/37/1062452237.db2.gz AZTRPMAGSSNMPK-SFHVURJKSA-N 0 3 324.855 4.398 20 30 DIEDHN COc1ccc([C@H](NCC#Cc2ccccc2)C2CCC2)cc1 ZINC001474736436 1062454209 /nfs/dbraw/zinc/45/42/09/1062454209.db2.gz HLFUSERHUGLCTP-OAQYLSRUSA-N 0 3 305.421 4.178 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255706025 1062528815 /nfs/dbraw/zinc/52/88/15/1062528815.db2.gz NZZHNIBNXAELFH-JKSUJKDBSA-N 0 3 308.347 4.037 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255706023 1062530399 /nfs/dbraw/zinc/53/03/99/1062530399.db2.gz NZZHNIBNXAELFH-HOTGVXAUSA-N 0 3 308.347 4.037 20 30 DIEDHN C=C(C)[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980792 1062540421 /nfs/dbraw/zinc/54/04/21/1062540421.db2.gz QZBCDAHOLZEKHI-RHSMWYFYSA-N 0 3 307.384 4.273 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(F)c(F)c1 ZINC001459980375 1062540701 /nfs/dbraw/zinc/54/07/01/1062540701.db2.gz OBDNFNGFMFBSBY-ZUXXIDCJSA-N 0 3 307.384 4.129 20 30 DIEDHN C=C(C)[C@@H](NC[C@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978280 1062541373 /nfs/dbraw/zinc/54/13/73/1062541373.db2.gz DAFCLJYKKGZLHS-RHSMWYFYSA-N 0 3 309.400 4.377 20 30 DIEDHN C[C@H]1CCN(Cc2cccc(C#N)c2F)CC12CCCCC2 ZINC001459997450 1062557153 /nfs/dbraw/zinc/55/71/53/1062557153.db2.gz WPDPSBDJCGPPKI-HNNXBMFYSA-N 0 3 300.421 4.490 20 30 DIEDHN Cc1ccc([C@@H]2C[C@@H](C)N(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001460028880 1062582148 /nfs/dbraw/zinc/58/21/48/1062582148.db2.gz JPRJTBCBBHOEGX-YLJYHZDGSA-N 0 3 307.412 4.364 20 30 DIEDHN Cc1ccc([C@H]2C[C@@H](C)N(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001460028879 1062583879 /nfs/dbraw/zinc/58/38/79/1062583879.db2.gz JPRJTBCBBHOEGX-XLIONFOSSA-N 0 3 307.412 4.364 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001460044235 1062595284 /nfs/dbraw/zinc/59/52/84/1062595284.db2.gz WAWQHZMTFGMVNR-KRWDZBQOSA-N 0 3 301.430 4.182 20 30 DIEDHN C=CCCC1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCC1 ZINC001470074327 1062698073 /nfs/dbraw/zinc/69/80/73/1062698073.db2.gz CCKJRAVVMCIRCI-GOSISDBHSA-N 0 3 320.521 4.140 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001470297610 1062746797 /nfs/dbraw/zinc/74/67/97/1062746797.db2.gz PMEOOUJHQDVRTC-QZTJIDSGSA-N 0 3 310.526 4.220 20 30 DIEDHN C=CCN(Cc1ccc([C@@H](C)C(F)(F)F)cc1)[C@@H](C)COC ZINC001460408990 1062842403 /nfs/dbraw/zinc/84/24/03/1062842403.db2.gz NWYYXGXQEZCQIC-UONOGXRCSA-N 0 3 315.379 4.375 20 30 DIEDHN C=CCC1(NCc2ncc(-c3ccccc3F)o2)CCCC1 ZINC001460447494 1062860418 /nfs/dbraw/zinc/86/04/18/1062860418.db2.gz LLQYQSBYMHCKSL-UHFFFAOYSA-N 0 3 300.377 4.459 20 30 DIEDHN C=CCCCCN1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC001460730421 1063023551 /nfs/dbraw/zinc/02/35/51/1063023551.db2.gz LWQODHSXHWJZGI-LJQANCHMSA-N 0 3 304.453 4.251 20 30 DIEDHN C#CCN(Cc1cccc(C(=O)Nc2ccccc2)c1)C(C)(C)C ZINC001460807043 1063071637 /nfs/dbraw/zinc/07/16/37/1063071637.db2.gz LVQNSJMDKQPIRO-UHFFFAOYSA-N 0 3 320.436 4.173 20 30 DIEDHN C[C@@H](NC1CCC(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC001257010690 1063078977 /nfs/dbraw/zinc/07/89/77/1063078977.db2.gz FTXYOBMDARMZRQ-NVPAJSRCSA-N 0 3 311.454 4.392 20 30 DIEDHN Cc1cnc(CNC2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001257013311 1063082579 /nfs/dbraw/zinc/08/25/79/1063082579.db2.gz FUPIVIZRGXKUSS-UHFFFAOYSA-N 0 3 311.454 4.139 20 30 DIEDHN CCOC(=O)[C@@H]1CC[C@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001257064728 1063098628 /nfs/dbraw/zinc/09/86/28/1063098628.db2.gz XAJDATQWTJZQOC-AEFFLSMTSA-N 0 3 320.477 4.047 20 30 DIEDHN C=CC[C@@H]1CCN1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC001460911997 1063132406 /nfs/dbraw/zinc/13/24/06/1063132406.db2.gz XDLBTOIWQHRHPD-QGZVFWFLSA-N 0 3 313.832 4.256 20 30 DIEDHN COc1ccc2cc(CC[C@H](C)NCC3(C#N)CC3)ccc2c1 ZINC001257274846 1063177467 /nfs/dbraw/zinc/17/74/67/1063177467.db2.gz LXCOIDAXMZNHNE-HNNXBMFYSA-N 0 3 308.425 4.063 20 30 DIEDHN COc1ccc2cc(CC[C@H](C)N3CC(CC#N)C3)ccc2c1 ZINC001257278814 1063177803 /nfs/dbraw/zinc/17/78/03/1063177803.db2.gz SHGGWOSCAKLSIY-HNNXBMFYSA-N 0 3 308.425 4.015 20 30 DIEDHN COc1ccc2cc(CC[C@H](C)N3CC[C@](C)(C#N)C3)ccc2c1 ZINC001257285072 1063181010 /nfs/dbraw/zinc/18/10/10/1063181010.db2.gz MXOFVIGZNREWKP-HRAATJIYSA-N 0 3 322.452 4.405 20 30 DIEDHN CCCCCC(CCCCC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001257551083 1063332709 /nfs/dbraw/zinc/33/27/09/1063332709.db2.gz BJTZSVFUEZHDBY-HOCLYGCPSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCCCCC[C@@H](C)n1cc(CN)c(C)nc1=N ZINC001257550799 1063333235 /nfs/dbraw/zinc/33/32/35/1063333235.db2.gz VAZIHTNGGLNPCD-OAHLLOKOSA-N 0 3 306.498 4.221 20 30 DIEDHN C=C1C[C@@H]2CC([NH2+]Cc3cc(Cl)c([O-])c(OC)c3)C[C@H](C1)C2 ZINC001257887804 1063425810 /nfs/dbraw/zinc/42/58/10/1063425810.db2.gz LBGXZAGMGQRAOB-NNQSOWQGSA-N 0 3 321.848 4.279 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473137015 1063443607 /nfs/dbraw/zinc/44/36/07/1063443607.db2.gz NCLGNFXZZLYTOP-UHFFFAOYSA-N 0 3 310.397 4.134 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1ccn(CC(F)(F)F)n1 ZINC001258043095 1063475589 /nfs/dbraw/zinc/47/55/89/1063475589.db2.gz IVPHRXASBQYYEE-CYBMUJFWSA-N 0 3 305.388 4.284 20 30 DIEDHN CC1(CCC(=O)C(C#N)C(=O)Nc2cccc3ccccc32)CC1 ZINC001515358766 1063672483 /nfs/dbraw/zinc/67/24/83/1063672483.db2.gz LZOZJLAEDTYFLP-INIZCTEOSA-N 0 3 320.392 4.067 20 30 DIEDHN C(#Cc1ccccc1)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC001461862254 1063755455 /nfs/dbraw/zinc/75/54/55/1063755455.db2.gz CBTKHMUKBKIBRR-HSZRJFAPSA-N 0 3 315.460 4.408 20 30 DIEDHN CCCC[C@H](Cc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001258705069 1063763377 /nfs/dbraw/zinc/76/33/77/1063763377.db2.gz CRMYJLWUIUJUOW-MRXNPFEDSA-N 0 3 315.848 4.242 20 30 DIEDHN C[C@H](Cc1cccc(Cl)c1)N1CCc2cc(C#N)ccc2C1 ZINC001258745292 1063795722 /nfs/dbraw/zinc/79/57/22/1063795722.db2.gz LGRKWDAFZRETLO-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001303274472 1065111777 /nfs/dbraw/zinc/11/17/77/1065111777.db2.gz VITURSUAIKNKGD-RCCFBDPRSA-N 0 3 308.510 4.068 20 30 DIEDHN Cc1cc(C#N)cc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001307146410 1065284761 /nfs/dbraw/zinc/28/47/61/1065284761.db2.gz HRODQWYWFGFQKR-GOSISDBHSA-N 0 3 323.465 4.018 20 30 DIEDHN C#CCN(C[C@H]1CCCCC1(F)F)[C@@H]1CCc2ccccc21 ZINC001307428405 1065388595 /nfs/dbraw/zinc/38/85/95/1065388595.db2.gz CYYYJDMZCSAMNH-SJLPKXTDSA-N 0 3 303.396 4.435 20 30 DIEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001307465683 1065417060 /nfs/dbraw/zinc/41/70/60/1065417060.db2.gz UPLBVHNJZFWRNY-FQEVSTJZSA-N 0 3 308.400 4.251 20 30 DIEDHN C#CCCCCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001307597050 1065506727 /nfs/dbraw/zinc/50/67/27/1065506727.db2.gz FURZZVRWIDSRDC-UHFFFAOYSA-N 0 3 300.402 4.143 20 30 DIEDHN N#CCC1(CN[C@H](COc2ccccc2)c2ccccc2)CC1 ZINC001307634077 1065530057 /nfs/dbraw/zinc/53/00/57/1065530057.db2.gz ZGIQZDKGNVRCKF-LJQANCHMSA-N 0 3 306.409 4.090 20 30 DIEDHN C#CC(C)(C)N(C)Cc1ccc(OCc2ccccc2F)cc1 ZINC001307678635 1065559305 /nfs/dbraw/zinc/55/93/05/1065559305.db2.gz DKVMLOBLHSZEDL-UHFFFAOYSA-N 0 3 311.400 4.248 20 30 DIEDHN CCC[C@@]1(C(=O)OCC)CCCN1CCCCC1(C#N)CCC1 ZINC001307733121 1065592975 /nfs/dbraw/zinc/59/29/75/1065592975.db2.gz GXCCETRNUBCECJ-IBGZPJMESA-N 0 3 320.477 4.048 20 30 DIEDHN C=C(Br)CN1CCC[C@@]1(CC)Cc1ccccc1 ZINC001307919772 1065680106 /nfs/dbraw/zinc/68/01/06/1065680106.db2.gz XEIWFMKEELSNEU-INIZCTEOSA-N 0 3 308.263 4.382 20 30 DIEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC001308119736 1065769993 /nfs/dbraw/zinc/76/99/93/1065769993.db2.gz FGSXVMDICXUYSA-GHYICZDASA-N 0 3 318.420 4.115 20 30 DIEDHN C=CCCCN(CC)Cc1ccc(Br)cc1C#N ZINC001308133164 1065772311 /nfs/dbraw/zinc/77/23/11/1065772311.db2.gz CMPMBCPHHRAASR-UHFFFAOYSA-N 0 3 307.235 4.109 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc2c(cc1Cl)OCCO2 ZINC001308135580 1065775390 /nfs/dbraw/zinc/77/53/90/1065775390.db2.gz HSOKXQDLKMHNNG-AWEZNQCLSA-N 0 3 307.821 4.042 20 30 DIEDHN C=CC[C@@H]1CC[C@H](NCc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209969 1065817043 /nfs/dbraw/zinc/81/70/43/1065817043.db2.gz OYRITKMCUJJRTB-SJORKVTESA-N 0 3 321.468 4.195 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[C@H](SC)C1 ZINC001308269639 1065870881 /nfs/dbraw/zinc/87/08/81/1065870881.db2.gz VGJHOZDRMJIUHW-KGLIPLIRSA-N 0 3 323.889 4.116 20 30 DIEDHN C=C(C)CCNCc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001308412359 1065971940 /nfs/dbraw/zinc/97/19/40/1065971940.db2.gz ZDTRRHPVIIBOIA-UHFFFAOYSA-N 0 3 317.864 4.257 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OC)c(OCC(C)C)c2)c1 ZINC001308435048 1065986691 /nfs/dbraw/zinc/98/66/91/1065986691.db2.gz FNUMECVLUAVSPL-UHFFFAOYSA-N 0 3 323.436 4.001 20 30 DIEDHN C=CCOc1cccc(CNC2(c3cccc(OC)c3)CCC2)c1 ZINC001308474144 1066013783 /nfs/dbraw/zinc/01/37/83/1066013783.db2.gz BVXACYUTHRLRAE-UHFFFAOYSA-N 0 3 323.436 4.429 20 30 DIEDHN Cc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1C#N ZINC001308518031 1066041285 /nfs/dbraw/zinc/04/12/85/1066041285.db2.gz XFLKDQJFVJEWFZ-UHFFFAOYSA-N 0 3 305.208 4.463 20 30 DIEDHN CC(C)c1cnc(CNC(C)(C)Cc2ccc(C#N)cc2)s1 ZINC001308530277 1066047981 /nfs/dbraw/zinc/04/79/81/1066047981.db2.gz UTDJZSAOIDJUQX-UHFFFAOYSA-N 0 3 313.470 4.249 20 30 DIEDHN COc1cc(F)cc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC001308570070 1066080757 /nfs/dbraw/zinc/08/07/57/1066080757.db2.gz CQPDBPUUXAREER-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN C#CCN(CCCc1ccc(F)c(F)c1)Cc1ccc(F)cc1 ZINC001308590041 1066103718 /nfs/dbraw/zinc/10/37/18/1066103718.db2.gz NCUSTUXBNLZOFY-UHFFFAOYSA-N 0 3 317.354 4.172 20 30 DIEDHN CCN(Cc1ccc(C)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC001308619472 1066122041 /nfs/dbraw/zinc/12/20/41/1066122041.db2.gz NPEGQFANRYGSFO-MRXNPFEDSA-N 0 3 308.425 4.458 20 30 DIEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC001308698916 1066187725 /nfs/dbraw/zinc/18/77/25/1066187725.db2.gz XVVZBPBABANYLU-OAHLLOKOSA-N 0 3 322.305 4.133 20 30 DIEDHN N#CC1(CN[C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723821 1066201443 /nfs/dbraw/zinc/20/14/43/1066201443.db2.gz HYWNAAYIBQRFBO-WFASDCNBSA-N 0 3 308.347 4.023 20 30 DIEDHN C#C[C@@H](NCc1cnn(C2CCCC2)c1-c1ccccc1)C(C)C ZINC001308751629 1066225705 /nfs/dbraw/zinc/22/57/05/1066225705.db2.gz VXRNTJAAGWZPLC-HXUWFJFHSA-N 0 3 321.468 4.413 20 30 DIEDHN C#C[C@H](NCCCCCOc1ccccc1)c1ccc(F)cc1 ZINC001308787933 1066261354 /nfs/dbraw/zinc/26/13/54/1066261354.db2.gz ZNODDQHAWJRSDZ-FQEVSTJZSA-N 0 3 311.400 4.339 20 30 DIEDHN C#C[C@@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795710 1066271984 /nfs/dbraw/zinc/27/19/84/1066271984.db2.gz KPJKITWKXQSZAM-QZTJIDSGSA-N 0 3 316.231 4.425 20 30 DIEDHN N#Cc1c(F)cccc1CNCC1(c2ccccc2F)CCC1 ZINC001308849223 1066325755 /nfs/dbraw/zinc/32/57/55/1066325755.db2.gz VNNDHTQSIHJMEH-UHFFFAOYSA-N 0 3 312.363 4.048 20 30 DIEDHN C=CC[C@H]1CCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC001308880353 1066359554 /nfs/dbraw/zinc/35/95/54/1066359554.db2.gz KSOJCOZKWBVIKP-AWEZNQCLSA-N 0 3 300.427 4.224 20 30 DIEDHN C=CCCC(C)(C)CNCc1nnn(-c2ccccc2)c1C1CC1 ZINC001308894537 1066376134 /nfs/dbraw/zinc/37/61/34/1066376134.db2.gz HGSCGGDIXPOOMZ-UHFFFAOYSA-N 0 3 324.472 4.227 20 30 DIEDHN CCC[C@H]1[C@H](C)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776345 191226911 /nfs/dbraw/zinc/22/69/11/191226911.db2.gz IMVMIFBSYJFPHF-PBHICJAKSA-N 0 3 324.428 4.009 20 30 DIEDHN C=CC[C@H](CC)NCc1csc(COc2ccccc2)n1 ZINC000281500462 334984630 /nfs/dbraw/zinc/98/46/30/334984630.db2.gz WRJURLLBPSPZME-AWEZNQCLSA-N 0 3 302.443 4.166 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3c1cccc3Cl)CC2 ZINC000563783398 335007139 /nfs/dbraw/zinc/00/71/39/335007139.db2.gz WVAWRQOSKLJQNK-RTBURBONSA-N 0 3 308.812 4.476 20 30 DIEDHN C=CCC[C@H](N[C@H](C)C[C@@H](O)c1cccs1)c1ccco1 ZINC000286208009 335030567 /nfs/dbraw/zinc/03/05/67/335030567.db2.gz RXSIJZAFOMICPW-QLFBSQMISA-N 0 3 305.443 4.450 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029091 335031769 /nfs/dbraw/zinc/03/17/69/335031769.db2.gz JDCTXYZDLQXORS-APWZRJJASA-N 0 3 323.436 4.427 20 30 DIEDHN CN(CCCC(C)(C)C#N)Cc1cc(Br)cs1 ZINC000087608593 332034527 /nfs/dbraw/zinc/03/45/27/332034527.db2.gz ILHBUGNJJOBSJS-UHFFFAOYSA-N 0 3 315.280 4.272 20 30 DIEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709124 331469277 /nfs/dbraw/zinc/46/92/77/331469277.db2.gz SMRQUKODKSGVDF-XJKSGUPXSA-N 0 3 316.470 4.015 20 30 DIEDHN C[C@@H](CCNC1(c2cccc(C#N)c2)CC1)OCc1ccccc1 ZINC000556505304 331709145 /nfs/dbraw/zinc/70/91/45/331709145.db2.gz HSCUOBSJAFYCOA-KRWDZBQOSA-N 0 3 320.436 4.132 20 30 DIEDHN C=CCCOCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000557276092 331780485 /nfs/dbraw/zinc/78/04/85/331780485.db2.gz LHMGOLUAGUYWLT-SFHVURJKSA-N 0 3 315.457 4.395 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1Cc2ccccc2C1 ZINC000569399257 332074773 /nfs/dbraw/zinc/07/47/73/332074773.db2.gz LIECUYUPAVOIJF-VXKWHMMOSA-N 0 3 316.448 4.173 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000518625574 332100460 /nfs/dbraw/zinc/10/04/60/332100460.db2.gz HOZYRXRNQUCBOD-ZTQAJYAQSA-N 0 3 324.399 4.268 20 30 DIEDHN C=CCOc1cccc(CNCCc2nc3c(cccc3C)o2)c1 ZINC000410319526 332111657 /nfs/dbraw/zinc/11/16/57/332111657.db2.gz WLEHDACBAAVVEH-UHFFFAOYSA-N 0 3 322.408 4.033 20 30 DIEDHN C=CCCc1ccccc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000410375107 332119464 /nfs/dbraw/zinc/11/94/64/332119464.db2.gz WLFQCKUDRRCCGI-INIZCTEOSA-N 0 3 300.446 4.008 20 30 DIEDHN C=CC(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449484283 332282983 /nfs/dbraw/zinc/28/29/83/332282983.db2.gz FYLYWGWWQSUAAD-UHFFFAOYSA-N 0 3 317.414 4.020 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCCC#N)C1 ZINC000114472577 332327678 /nfs/dbraw/zinc/32/76/78/332327678.db2.gz KWTAZQYAFVIXCC-MRXNPFEDSA-N 0 3 310.445 4.100 20 30 DIEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cccs1 ZINC000237333974 332343278 /nfs/dbraw/zinc/34/32/78/332343278.db2.gz GLXLJZLJNUCQCO-CQSZACIVSA-N 0 3 300.427 4.281 20 30 DIEDHN COc1ccc(C[C@H]2CCCN(Cc3cccc(C#N)c3)C2)cc1 ZINC000560541348 332355336 /nfs/dbraw/zinc/35/53/36/332355336.db2.gz JACDUEVKKHSOGZ-HXUWFJFHSA-N 0 3 320.436 4.022 20 30 DIEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCCSCC#N ZINC000121023932 332391247 /nfs/dbraw/zinc/39/12/47/332391247.db2.gz JLDMKYZLJPLKIC-CYBMUJFWSA-N 0 3 311.520 4.215 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000237825718 332392871 /nfs/dbraw/zinc/39/28/71/332392871.db2.gz OKVRRGKKTVWEQJ-HXUWFJFHSA-N 0 3 306.409 4.146 20 30 DIEDHN C=CCSCCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000560902592 332393485 /nfs/dbraw/zinc/39/34/85/332393485.db2.gz XTZPNNVFRDDIRR-LLVKDONJSA-N 0 3 305.365 4.155 20 30 DIEDHN C=C(C)CCN[C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000561850996 332506191 /nfs/dbraw/zinc/50/61/91/332506191.db2.gz HLFDQUNDZWSRQC-HXUWFJFHSA-N 0 3 311.425 4.349 20 30 DIEDHN C[C@H](NC1CC(C(F)(F)F)C1)c1ccc(C#N)cc1Cl ZINC000562086515 332545579 /nfs/dbraw/zinc/54/55/79/332545579.db2.gz IEWKLBUJTVMUFE-PUSIOWJLSA-N 0 3 302.727 4.203 20 30 DIEDHN CSc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1F ZINC000151377496 332574341 /nfs/dbraw/zinc/57/43/41/332574341.db2.gz LACJEYRXJGGARO-LBPRGKRZSA-N 0 3 300.402 4.270 20 30 DIEDHN C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1cscn1 ZINC000565246457 332691302 /nfs/dbraw/zinc/69/13/02/332691302.db2.gz NLZABCMQMYWZBA-MXWWQKGMSA-N 0 3 311.454 4.198 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000378889601 333060552 /nfs/dbraw/zinc/06/05/52/333060552.db2.gz KJEQEJPCVBEVJU-AWEZNQCLSA-N 0 3 312.369 4.010 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000462754153 333108965 /nfs/dbraw/zinc/10/89/65/333108965.db2.gz HDRSOYQZUSRWCH-MOPGFXCFSA-N 0 3 315.457 4.079 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OC2CCCCC2)CC1 ZINC000516755354 333123950 /nfs/dbraw/zinc/12/39/50/333123950.db2.gz ZURXOMLFKFHCQO-INIZCTEOSA-N 0 3 312.457 4.433 20 30 DIEDHN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542557 333162885 /nfs/dbraw/zinc/16/28/85/333162885.db2.gz KFPFLLPEEYTQMZ-DJJJIMSYSA-N 0 3 310.372 4.066 20 30 DIEDHN CCC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000180554422 333163117 /nfs/dbraw/zinc/16/31/17/333163117.db2.gz GCTTZYAUBPRYFV-FQEVSTJZSA-N 0 3 324.424 4.229 20 30 DIEDHN CCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000180554444 333163254 /nfs/dbraw/zinc/16/32/54/333163254.db2.gz GCTTZYAUBPRYFV-HXUWFJFHSA-N 0 3 324.424 4.229 20 30 DIEDHN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000182221445 333176744 /nfs/dbraw/zinc/17/67/44/333176744.db2.gz VHWPLOVRYJYCHB-AWEZNQCLSA-N 0 3 310.372 4.068 20 30 DIEDHN C[C@H](CN(C)Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000183971095 333190502 /nfs/dbraw/zinc/19/05/02/333190502.db2.gz SOEHJABZPFRUOL-CQSZACIVSA-N 0 3 313.470 4.180 20 30 DIEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCCC#N ZINC000184087833 333191893 /nfs/dbraw/zinc/19/18/93/333191893.db2.gz JTOPOVGMFFNMLV-NSHDSACASA-N 0 3 303.406 4.212 20 30 DIEDHN Cc1ccccc1[C@H]1CCCN1CCOc1ccccc1C#N ZINC000497475965 333254965 /nfs/dbraw/zinc/25/49/65/333254965.db2.gz YEEJHJCTOGIRLC-LJQANCHMSA-N 0 3 306.409 4.083 20 30 DIEDHN C[C@@H](c1cc2ccccc2o1)N(C)CCOc1ccccc1C#N ZINC000497584581 333265885 /nfs/dbraw/zinc/26/58/85/333265885.db2.gz HPSZJEYMYTZXLP-HNNXBMFYSA-N 0 3 320.392 4.376 20 30 DIEDHN CCN(CCOc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594087 333267483 /nfs/dbraw/zinc/26/74/83/333267483.db2.gz PNIGQHXGEVJVAH-INIZCTEOSA-N 0 3 324.424 4.029 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294564 333301199 /nfs/dbraw/zinc/30/11/99/333301199.db2.gz CMOFRARCYKZFNR-DQLDELGASA-N 0 3 320.436 4.059 20 30 DIEDHN C=C(C)[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546125 335135732 /nfs/dbraw/zinc/13/57/32/335135732.db2.gz XYKXKQIJGOGGRX-WMLDXEAASA-N 0 3 307.384 4.273 20 30 DIEDHN C=CCCC[C@H](C)N[C@@H](C)c1ncc(Br)cc1F ZINC000187422348 333488543 /nfs/dbraw/zinc/48/85/43/333488543.db2.gz ZEPZSQUCEKTOFL-QWRGUYRKSA-N 0 3 315.230 4.379 20 30 DIEDHN CCCOc1ccc(CNCc2cccc(C#N)c2)cc1OCC ZINC000066972036 335143986 /nfs/dbraw/zinc/14/39/86/335143986.db2.gz WKHUOVRLTNWEQI-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN CCC[C@H](NCCOCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000339067780 333507942 /nfs/dbraw/zinc/50/79/42/333507942.db2.gz IBFUFRZRJGGKDL-HNNXBMFYSA-N 0 3 315.244 4.354 20 30 DIEDHN C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418607 333600837 /nfs/dbraw/zinc/60/08/37/333600837.db2.gz NYFJFRBZYPMHRJ-IUODEOHRSA-N 0 3 318.852 4.234 20 30 DIEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000186068878 335158796 /nfs/dbraw/zinc/15/87/96/335158796.db2.gz UKICJJJMTNHOSW-INIZCTEOSA-N 0 3 300.446 4.132 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC000571445212 333789471 /nfs/dbraw/zinc/78/94/71/333789471.db2.gz RHGPJDPVHSSKCD-OAGGEKHMSA-N 0 3 308.347 4.256 20 30 DIEDHN CCCCOc1ccc([C@H](C)NCC(C)(C)CC#N)cc1OC ZINC000414160066 333914862 /nfs/dbraw/zinc/91/48/62/333914862.db2.gz CFDILMIXSJPQPU-HNNXBMFYSA-N 0 3 318.461 4.465 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(OC(F)(F)F)cc1 ZINC000414161341 333915346 /nfs/dbraw/zinc/91/53/46/333915346.db2.gz FGTNKPYOBMKQLY-LLVKDONJSA-N 0 3 300.324 4.176 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000414166061 333916205 /nfs/dbraw/zinc/91/62/05/333916205.db2.gz NCABSDNKKDQRSB-GFCCVEGCSA-N 0 3 314.351 4.218 20 30 DIEDHN CC[C@@H](NCc1cnccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000414236919 333917671 /nfs/dbraw/zinc/91/76/71/333917671.db2.gz WDYRVQYHOYGMIJ-LJQANCHMSA-N 0 3 307.441 4.492 20 30 DIEDHN COc1cccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)c1 ZINC000271661751 334025456 /nfs/dbraw/zinc/02/54/56/334025456.db2.gz LGTUKOHGKRSZIR-OAHLLOKOSA-N 0 3 308.425 4.347 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829747 334027474 /nfs/dbraw/zinc/02/74/74/334027474.db2.gz DRKHJUUXJRVEQO-UZLBHIALSA-N 0 3 304.393 4.004 20 30 DIEDHN C[C@@H](NCCCC#N)c1cc2cc(Br)ccc2o1 ZINC000273310482 334045234 /nfs/dbraw/zinc/04/52/34/334045234.db2.gz WNGPXJBPLYPCJR-SNVBAGLBSA-N 0 3 307.191 4.150 20 30 DIEDHN C[C@H](CCC#N)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000276334532 334075803 /nfs/dbraw/zinc/07/58/03/334075803.db2.gz RQSWSEYHDPPYKB-GFCCVEGCSA-N 0 3 317.820 4.353 20 30 DIEDHN COc1ccc(OC)c([C@H](C)NCCCCC(C)(C)C#N)c1 ZINC000277890764 334091668 /nfs/dbraw/zinc/09/16/68/334091668.db2.gz ZWGASKVNKCZBSF-AWEZNQCLSA-N 0 3 304.434 4.074 20 30 DIEDHN C[C@@H](c1ccsc1)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000278631682 334098929 /nfs/dbraw/zinc/09/89/29/334098929.db2.gz GKCCENCRDCYCQC-INIZCTEOSA-N 0 3 319.518 4.147 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000278718448 334100198 /nfs/dbraw/zinc/10/01/98/334100198.db2.gz UXPQIXRCYGIJOH-LKUPVBHCSA-N 0 3 302.421 4.326 20 30 DIEDHN COCc1ccc([C@@H]2CCCN2CCCCC(C)(C)C#N)o1 ZINC000278864134 334102509 /nfs/dbraw/zinc/10/25/09/334102509.db2.gz SGASVSWDGNAITP-INIZCTEOSA-N 0 3 304.434 4.283 20 30 DIEDHN CC[C@@H](NCc1ccc(OC)c(Cl)c1)c1ccc(C#N)cc1 ZINC000278881943 334102779 /nfs/dbraw/zinc/10/27/79/334102779.db2.gz XZFVUTBWHUXXQN-QGZVFWFLSA-N 0 3 314.816 4.461 20 30 DIEDHN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000279651595 334110756 /nfs/dbraw/zinc/11/07/56/334110756.db2.gz BYFZWZTZYSIPSC-UXPWSPDFSA-N 0 3 308.425 4.397 20 30 DIEDHN C[C@@H]1CCN(CCCC2(C#N)CCOCC2)[C@H](c2ccco2)C1 ZINC000281901009 334129575 /nfs/dbraw/zinc/12/95/75/334129575.db2.gz FPMTYISMJPACRY-SJORKVTESA-N 0 3 316.445 4.153 20 30 DIEDHN CC[C@H]1c2ccsc2CCN1CCCC1(C#N)CCOCC1 ZINC000281942571 334129740 /nfs/dbraw/zinc/12/97/40/334129740.db2.gz IWZXSPXGRRXCMZ-INIZCTEOSA-N 0 3 318.486 4.158 20 30 DIEDHN CC(C)(CCC#N)CNCc1ccncc1OCc1ccccc1 ZINC000285765605 334150186 /nfs/dbraw/zinc/15/01/86/334150186.db2.gz ZTPZUGQRQAWQNV-UHFFFAOYSA-N 0 3 323.440 4.080 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217699 334156736 /nfs/dbraw/zinc/15/67/36/334156736.db2.gz FWQRGRMSWMDNJK-YQQAZPJKSA-N 0 3 307.397 4.217 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462399 334172812 /nfs/dbraw/zinc/17/28/12/334172812.db2.gz WOXNQESZJMTREC-MBPVOVBZSA-N 0 3 320.436 4.133 20 30 DIEDHN N#C[C@H]1CCC[C@@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462408 334172829 /nfs/dbraw/zinc/17/28/29/334172829.db2.gz WOXNQESZJMTREC-NASSWSRMSA-N 0 3 320.436 4.133 20 30 DIEDHN CC(C)(CCC#N)CNCc1nc(-c2ccccc2F)cs1 ZINC000291684888 334180837 /nfs/dbraw/zinc/18/08/37/334180837.db2.gz XMJAGCGFMUNTKU-UHFFFAOYSA-N 0 3 317.433 4.369 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1O ZINC000340444259 334202999 /nfs/dbraw/zinc/20/29/99/334202999.db2.gz HRKMRJMYWFPNGY-CRAIPNDOSA-N 0 3 324.424 4.487 20 30 DIEDHN Cc1ncc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449708 334205435 /nfs/dbraw/zinc/20/54/35/334205435.db2.gz WAAMBFIHWGCRIC-DNVCBOLYSA-N 0 3 308.429 4.179 20 30 DIEDHN CC(C)(C#N)CCCCN1CCC(F)(c2ccccn2)CC1 ZINC000295409600 334222817 /nfs/dbraw/zinc/22/28/17/334222817.db2.gz SNHQLMUBWBOOKK-UHFFFAOYSA-N 0 3 303.425 4.062 20 30 DIEDHN COc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341704186 334472082 /nfs/dbraw/zinc/47/20/82/334472082.db2.gz DSAHGGFQZXDWEM-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758656 334477671 /nfs/dbraw/zinc/47/76/71/334477671.db2.gz AQEZDHCXDVOBFH-VBKZILBWSA-N 0 3 301.393 4.158 20 30 DIEDHN COc1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873952 334488566 /nfs/dbraw/zinc/48/85/66/334488566.db2.gz JGLVIOFBBAGXCY-YJYMSZOUSA-N 0 3 324.399 4.434 20 30 DIEDHN COc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873945 334488705 /nfs/dbraw/zinc/48/87/05/334488705.db2.gz JGLVIOFBBAGXCY-BFUOFWGJSA-N 0 3 324.399 4.434 20 30 DIEDHN C=CC[C@H]1N(C(=O)Nc2ccccc2CNC)CCCC1(C)C ZINC000415925070 334632663 /nfs/dbraw/zinc/63/26/63/334632663.db2.gz SMRKYPAVFBROSI-QGZVFWFLSA-N 0 3 315.461 4.005 20 30 DIEDHN COc1ccsc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362239 334739224 /nfs/dbraw/zinc/73/92/24/334739224.db2.gz JLKGUQCBHAOWLM-MLGOLLRUSA-N 0 3 312.438 4.357 20 30 DIEDHN Cc1c([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365718 334741472 /nfs/dbraw/zinc/74/14/72/334741472.db2.gz MHPNBPXWQNDXRI-JLTOFOAXSA-N 0 3 322.456 4.372 20 30 DIEDHN COc1cc([C@@H](C)NCc2ccc(C#N)cc2)ccc1OC(C)C ZINC000048710132 334742808 /nfs/dbraw/zinc/74/28/08/334742808.db2.gz UROBHUGIIBYVKV-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363461 334744421 /nfs/dbraw/zinc/74/44/21/334744421.db2.gz KQNFPMJBWJSAEG-QKKBWIMNSA-N 0 3 318.420 4.317 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2ccc(O)cc21 ZINC000417367748 334761688 /nfs/dbraw/zinc/76/16/88/334761688.db2.gz PGMAQQJGXANJCH-SFTDATJTSA-N 0 3 318.420 4.308 20 30 DIEDHN N#CCc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000343697307 335188902 /nfs/dbraw/zinc/18/89/02/335188902.db2.gz RWQGVOJFBWTAJJ-TZIWHRDSSA-N 0 3 320.436 4.010 20 30 DIEDHN C=CCC[C@@H](NCc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000345019457 335291815 /nfs/dbraw/zinc/29/18/15/335291815.db2.gz MMDOKTSCWLDBCK-OAHLLOKOSA-N 0 3 309.335 4.226 20 30 DIEDHN C=CCC[C@@H](NCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000345019457 335291818 /nfs/dbraw/zinc/29/18/18/335291818.db2.gz MMDOKTSCWLDBCK-OAHLLOKOSA-N 0 3 309.335 4.226 20 30 DIEDHN Cc1ccc(C)n1C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000345138422 335300646 /nfs/dbraw/zinc/30/06/46/335300646.db2.gz XKZYUMBVDMZRRE-KRWDZBQOSA-N 0 3 307.441 4.375 20 30 DIEDHN C=CCCOCCNCc1cc(-c2ccccc2)ccc1OC ZINC000536007900 335809817 /nfs/dbraw/zinc/80/98/17/335809817.db2.gz SGEBYDZQEZKPOB-UHFFFAOYSA-N 0 3 311.425 4.045 20 30 DIEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccc(OC)c(OC)c1 ZINC000352245935 336206500 /nfs/dbraw/zinc/20/65/00/336206500.db2.gz KXUONMMMRLPXPP-SFHVURJKSA-N 0 3 324.424 4.011 20 30 DIEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OC)c(OC)c1 ZINC000352245933 336206510 /nfs/dbraw/zinc/20/65/10/336206510.db2.gz KXUONMMMRLPXPP-GOSISDBHSA-N 0 3 324.424 4.011 20 30 DIEDHN N#CC1(c2ccccn2)CCN(CCC2CCCCCC2)CC1 ZINC000580378488 336262194 /nfs/dbraw/zinc/26/21/94/336262194.db2.gz MHYZLHBDZIFXPE-UHFFFAOYSA-N 0 3 311.473 4.299 20 30 DIEDHN COc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1C#N ZINC000532745819 336269379 /nfs/dbraw/zinc/26/93/79/336269379.db2.gz CLQDMWWDSYEYQY-FQEVSTJZSA-N 0 3 318.420 4.219 20 30 DIEDHN COc1ccc2c(c1)CCCN([C@H](C)c1cccc(C#N)c1)C2 ZINC000526942199 336275339 /nfs/dbraw/zinc/27/53/39/336275339.db2.gz TVNKREAZJSIIAZ-OAHLLOKOSA-N 0 3 306.409 4.076 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004375 336286834 /nfs/dbraw/zinc/28/68/34/336286834.db2.gz CDSMZAYXMJIUJK-YWZLYKJASA-N 0 3 306.409 4.391 20 30 DIEDHN Cc1ccccc1CN1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301170392 336293113 /nfs/dbraw/zinc/29/31/13/336293113.db2.gz WVZFPZSUUDMTDC-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN C=C(C)CN1CCC(Nc2cc(C(C)C)nc(C(C)C)n2)CC1 ZINC000301850219 336334018 /nfs/dbraw/zinc/33/40/18/336334018.db2.gz DXVQPKSCCKTLTG-UHFFFAOYSA-N 0 3 316.493 4.176 20 30 DIEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139032 336374814 /nfs/dbraw/zinc/37/48/14/336374814.db2.gz WCKFNBOHQSNWES-SCLBCKFNSA-N 0 3 314.816 4.250 20 30 DIEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139030 336374844 /nfs/dbraw/zinc/37/48/44/336374844.db2.gz WCKFNBOHQSNWES-ACJLOTCBSA-N 0 3 314.816 4.250 20 30 DIEDHN C=CCc1cc(CNCc2cccc(C)c2)cc(OC)c1OC ZINC000105478336 336387608 /nfs/dbraw/zinc/38/76/08/336387608.db2.gz BGFZEEJCDSRUGM-UHFFFAOYSA-N 0 3 311.425 4.031 20 30 DIEDHN C=CCc1cc(CNCc2ccc(C)cc2)cc(OC)c1OC ZINC000105478331 336387697 /nfs/dbraw/zinc/38/76/97/336387697.db2.gz WTKWZSFGJSVBNM-UHFFFAOYSA-N 0 3 311.425 4.031 20 30 DIEDHN CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410632 336416031 /nfs/dbraw/zinc/41/60/31/336416031.db2.gz IJRRJVJRDVLMIV-UXHICEINSA-N 0 3 306.409 4.295 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(Cl)cc1 ZINC000353630779 336430347 /nfs/dbraw/zinc/43/03/47/336430347.db2.gz NRKWZWFGEKQWGS-QGZVFWFLSA-N 0 3 314.816 4.461 20 30 DIEDHN COCCCC[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000355291088 336502826 /nfs/dbraw/zinc/50/28/26/336502826.db2.gz MKLVYMSOMIWGSC-GOSISDBHSA-N 0 3 314.454 4.267 20 30 DIEDHN COCCCC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000355334749 336504472 /nfs/dbraw/zinc/50/44/72/336504472.db2.gz SNXLFBVUFZFNAH-GOSISDBHSA-N 0 3 314.454 4.267 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccncc1 ZINC000356195369 336540407 /nfs/dbraw/zinc/54/04/07/336540407.db2.gz QQINHRIDKWWKJD-MRXNPFEDSA-N 0 3 319.330 4.213 20 30 DIEDHN C=CCC1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCC1 ZINC000358503434 336632744 /nfs/dbraw/zinc/63/27/44/336632744.db2.gz NIVUDQVGAIRNBK-UHFFFAOYSA-N 0 3 312.457 4.357 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2ncccc2c1 ZINC000359027757 336654154 /nfs/dbraw/zinc/65/41/54/336654154.db2.gz HZKSEPONCKUEOA-NRFANRHFSA-N 0 3 313.404 4.274 20 30 DIEDHN Cc1nc(C)c(CN[C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360656565 336717816 /nfs/dbraw/zinc/71/78/16/336717816.db2.gz IWHOTSAQMSKNAF-QGZVFWFLSA-N 0 3 311.454 4.189 20 30 DIEDHN N#Cc1cccc(CN[C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000368960572 336855695 /nfs/dbraw/zinc/85/56/95/336855695.db2.gz OICZASUVCFWINY-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(C3CC3)cc2)ccc1C#N ZINC000418118126 336869431 /nfs/dbraw/zinc/86/94/31/336869431.db2.gz VKRLFUMHXKDCIP-AWEZNQCLSA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2[nH]ccc21 ZINC000418143899 336896590 /nfs/dbraw/zinc/89/65/90/336896590.db2.gz JKYFYPJBLZWEPJ-FQEVSTJZSA-N 0 3 301.393 4.207 20 30 DIEDHN CC(=O)c1ccc2c(c1)CCN(CCCCC(C)(C)C#N)CC2 ZINC000376116330 337027526 /nfs/dbraw/zinc/02/75/26/337027526.db2.gz QEXJYYODVXXYIG-UHFFFAOYSA-N 0 3 312.457 4.010 20 30 DIEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179128 337028997 /nfs/dbraw/zinc/02/89/97/337028997.db2.gz XSTZZUUNMUPPHQ-IERDGZPVSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179130 337029043 /nfs/dbraw/zinc/02/90/43/337029043.db2.gz XSTZZUUNMUPPHQ-KKSFZXQISA-N 0 3 320.436 4.377 20 30 DIEDHN C=C(C)[C@H](N[C@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613119 337038041 /nfs/dbraw/zinc/03/80/41/337038041.db2.gz YIRGMVHWNLOMDR-IRXDYDNUSA-N 0 3 307.384 4.131 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377799367 337061517 /nfs/dbraw/zinc/06/15/17/337061517.db2.gz UBYAYAIZRPAEIJ-YSGRDPCXSA-N 0 3 306.409 4.129 20 30 DIEDHN CCOc1cc2nccc(NCCCCC#N)c2cc1OCC ZINC000171819600 337089323 /nfs/dbraw/zinc/08/93/23/337089323.db2.gz VRVAPULSGJGLTL-UHFFFAOYSA-N 0 3 313.401 4.138 20 30 DIEDHN CCOc1ccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)cc1 ZINC000582748193 337133051 /nfs/dbraw/zinc/13/30/51/337133051.db2.gz DYLIMYWYABJESG-NRFANRHFSA-N 0 3 320.436 4.488 20 30 DIEDHN Cc1cccc(OC[C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508625 337146885 /nfs/dbraw/zinc/14/68/85/337146885.db2.gz VVUWRUSAYLZHEV-HUUCEWRRSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000176747940 337151977 /nfs/dbraw/zinc/15/19/77/337151977.db2.gz DLQWNYTTXZRULZ-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccc(C#N)cc1 ZINC000178554254 337163718 /nfs/dbraw/zinc/16/37/18/337163718.db2.gz KGBULNBBKGTJBE-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCCOCCN[C@@H](CC)c1cccc(Br)c1 ZINC000222450560 337178606 /nfs/dbraw/zinc/17/86/06/337178606.db2.gz TYLVMSSCVJXLTJ-HNNXBMFYSA-N 0 3 312.251 4.083 20 30 DIEDHN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000189371817 337278895 /nfs/dbraw/zinc/27/88/95/337278895.db2.gz MUFMJMHWQGZGSC-HNAYVOBHSA-N 0 3 322.408 4.072 20 30 DIEDHN C=CCOc1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000583232984 337281367 /nfs/dbraw/zinc/28/13/67/337281367.db2.gz MZTIZDUGVVSLPT-RTWAWAEBSA-N 0 3 323.436 4.261 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000192923217 337307557 /nfs/dbraw/zinc/30/75/57/337307557.db2.gz CLUHTFQHBGZPMF-TWOQFEAHSA-N 0 3 305.425 4.482 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(CC#N)cc1 ZINC000583716134 337316809 /nfs/dbraw/zinc/31/68/09/337316809.db2.gz PHYFAGXACNZEEW-NRFANRHFSA-N 0 3 320.436 4.271 20 30 DIEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)s1 ZINC000237749576 337469429 /nfs/dbraw/zinc/46/94/29/337469429.db2.gz MWDIKRVJIOYROW-UHFFFAOYSA-N 0 3 300.427 4.029 20 30 DIEDHN C=CCOc1ccc(CNCc2cc(C)nc(C)c2)cc1Cl ZINC000421383332 337529515 /nfs/dbraw/zinc/52/95/15/337529515.db2.gz NYEFZYGZADGDSL-UHFFFAOYSA-N 0 3 316.832 4.206 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416492 337644484 /nfs/dbraw/zinc/64/44/84/337644484.db2.gz BIJXJCKLGFSKFE-LPHOPBHVSA-N 0 3 321.420 4.263 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557465 337644946 /nfs/dbraw/zinc/64/49/46/337644946.db2.gz SZXCSYYTYHBSLC-DYESRHJHSA-N 0 3 323.436 4.127 20 30 DIEDHN C=CCCOCCN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536838768 337736042 /nfs/dbraw/zinc/73/60/42/337736042.db2.gz KXAVGEKKNFSQPY-OAHLLOKOSA-N 0 3 300.229 4.163 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2cc[nH]c2c1 ZINC000527719745 337758933 /nfs/dbraw/zinc/75/89/33/337758933.db2.gz JFYRNTVJLDXEFV-IBGZPJMESA-N 0 3 301.393 4.207 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000424208655 337809763 /nfs/dbraw/zinc/80/97/63/337809763.db2.gz YNYQAJVIMVRRFA-NWDGAFQWSA-N 0 3 302.324 4.007 20 30 DIEDHN COc1ccc(Oc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000424209694 337809801 /nfs/dbraw/zinc/80/98/01/337809801.db2.gz ZLZOYGNSSBYSKA-DLBZAZTESA-N 0 3 322.408 4.269 20 30 DIEDHN C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326012 337821287 /nfs/dbraw/zinc/82/12/87/337821287.db2.gz LPUFPHZCYKOXKJ-ZAZJYDDPSA-N 0 3 319.246 4.279 20 30 DIEDHN C[C@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326010 337821359 /nfs/dbraw/zinc/82/13/59/337821359.db2.gz LPUFPHZCYKOXKJ-UUIJZJDISA-N 0 3 319.246 4.279 20 30 DIEDHN CCCCOc1ccc([C@H](C)NCCC(C)(C)C#N)cc1OC ZINC000538513209 337826706 /nfs/dbraw/zinc/82/67/06/337826706.db2.gz ZJBJNTWQZHNJST-HNNXBMFYSA-N 0 3 318.461 4.465 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000046836383 337840728 /nfs/dbraw/zinc/84/07/28/337840728.db2.gz JROXLWPPPWQBGF-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN C=CCCC[C@H](C)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000536994976 337860362 /nfs/dbraw/zinc/86/03/62/337860362.db2.gz GCMIMRSKPRRMNE-HNNXBMFYSA-N 0 3 313.445 4.124 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000537089715 337888655 /nfs/dbraw/zinc/88/86/55/337888655.db2.gz TUYSHARJEQEANQ-GOSISDBHSA-N 0 3 312.388 4.061 20 30 DIEDHN Cc1cccc(C)c1OC[C@H](NCCCC#N)c1ccccc1 ZINC000537124318 337893544 /nfs/dbraw/zinc/89/35/44/337893544.db2.gz LMVSGODHEUYMQT-IBGZPJMESA-N 0 3 308.425 4.317 20 30 DIEDHN C[C@H](NCCOc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000537293815 337928897 /nfs/dbraw/zinc/92/88/97/337928897.db2.gz HUBDSLNPKFTEOR-INIZCTEOSA-N 0 3 316.404 4.441 20 30 DIEDHN CC(C)OCc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000537295498 337928920 /nfs/dbraw/zinc/92/89/20/337928920.db2.gz IUMDQZLWJVOXNK-MRXNPFEDSA-N 0 3 308.425 4.334 20 30 DIEDHN C=CCC(C)(C)c1noc(-c2cccc(CN3CCCC3)c2)n1 ZINC000516497803 338013962 /nfs/dbraw/zinc/01/39/62/338013962.db2.gz ZWTMPWJSBWOXPJ-UHFFFAOYSA-N 0 3 311.429 4.186 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)c(F)c1 ZINC000516517135 338014314 /nfs/dbraw/zinc/01/43/14/338014314.db2.gz OMVGLKIVRVYLIX-QMIHWGKISA-N 0 3 324.399 4.268 20 30 DIEDHN C=CCC[C@@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311435 338026160 /nfs/dbraw/zinc/02/61/60/338026160.db2.gz NSOXZFXXNLWTBF-NVXWUHKLSA-N 0 3 314.404 4.295 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429573618 338084649 /nfs/dbraw/zinc/08/46/49/338084649.db2.gz BIOYDHCLMWVNNB-LSDHHAIUSA-N 0 3 318.486 4.024 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1CC ZINC000429783210 338089784 /nfs/dbraw/zinc/08/97/84/338089784.db2.gz IAQSBWZDNLHHDI-HUUCEWRRSA-N 0 3 318.486 4.072 20 30 DIEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000429800664 338090224 /nfs/dbraw/zinc/09/02/24/338090224.db2.gz SGUKRJDANDDIGB-AWEZNQCLSA-N 0 3 307.235 4.184 20 30 DIEDHN CC(C)[C@H]1N(Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000430084621 338095451 /nfs/dbraw/zinc/09/54/51/338095451.db2.gz KIGIMSODMXZSIH-LJQANCHMSA-N 0 3 312.457 4.380 20 30 DIEDHN N#CCC1(CN[C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000430761382 338114096 /nfs/dbraw/zinc/11/40/96/338114096.db2.gz LWRSRONNMJYSOB-OAHLLOKOSA-N 0 3 319.246 4.110 20 30 DIEDHN CCCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1OC ZINC000430747066 338113300 /nfs/dbraw/zinc/11/33/00/338113300.db2.gz KLWWDHWMDKPHRF-HNNXBMFYSA-N 0 3 316.445 4.219 20 30 DIEDHN CCc1ccc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433101590 338181961 /nfs/dbraw/zinc/18/19/61/338181961.db2.gz DWGIMWJBRKFJAE-OXJNMPFZSA-N 0 3 320.436 4.199 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000433122025 338182416 /nfs/dbraw/zinc/18/24/16/338182416.db2.gz UOHSRPNFDWPGLP-IAGOWNOFSA-N 0 3 324.449 4.184 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1cccs1)C1CC1 ZINC000433217697 338186272 /nfs/dbraw/zinc/18/62/72/338186272.db2.gz BQHDKPFENMBPRC-MRXNPFEDSA-N 0 3 324.449 4.012 20 30 DIEDHN CC(C)CCC[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433222702 338186540 /nfs/dbraw/zinc/18/65/40/338186540.db2.gz WKLBORNRJOPVSM-FUHWJXTLSA-N 0 3 300.446 4.090 20 30 DIEDHN C=CCC[C@H](NCc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433313310 338191662 /nfs/dbraw/zinc/19/16/62/338191662.db2.gz VAHFYNNQLSRKLG-KRWDZBQOSA-N 0 3 307.397 4.467 20 30 DIEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000433376191 338194108 /nfs/dbraw/zinc/19/41/08/338194108.db2.gz RQPSAWFRMFZUHC-UWVAXJGDSA-N 0 3 320.436 4.067 20 30 DIEDHN C=CCCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434662614 338222686 /nfs/dbraw/zinc/22/26/86/338222686.db2.gz MRIAJSFSLCYNEV-UHFFFAOYSA-N 0 3 303.421 4.467 20 30 DIEDHN C=CCN(CCC(=O)Nc1ccccc1C)CCc1ccccc1 ZINC000434835909 338226246 /nfs/dbraw/zinc/22/62/46/338226246.db2.gz IDQDWTZCOAEUMO-UHFFFAOYSA-N 0 3 322.452 4.054 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)s1 ZINC000435729697 338246595 /nfs/dbraw/zinc/24/65/95/338246595.db2.gz BMOUTKKYVDYRQC-MQMHXKEQSA-N 0 3 302.830 4.309 20 30 DIEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1cc(C#N)cs1 ZINC000435732777 338246809 /nfs/dbraw/zinc/24/68/09/338246809.db2.gz QQPOLNCXMXJREH-IAGOWNOFSA-N 0 3 306.475 4.083 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)oc2ccccc21 ZINC000435738269 338247075 /nfs/dbraw/zinc/24/70/75/338247075.db2.gz QERHRTBCLFLLMY-WBMJQRKESA-N 0 3 305.805 4.157 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Cl)ccc1Cl ZINC000435739333 338247257 /nfs/dbraw/zinc/24/72/57/338247257.db2.gz WYTMPCGGYOIAAK-XHDPSFHLSA-N 0 3 300.229 4.064 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229388 338262555 /nfs/dbraw/zinc/26/25/55/338262555.db2.gz DXBJLJZHYSGDNN-LPHOPBHVSA-N 0 3 308.400 4.198 20 30 DIEDHN C[C@@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000436313429 338268625 /nfs/dbraw/zinc/26/86/25/338268625.db2.gz WYFZIFIIWHBRPG-SRCQZFHVSA-N 0 3 312.363 4.433 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000437095917 338300660 /nfs/dbraw/zinc/30/06/60/338300660.db2.gz XYJHRTOOVKGHLI-HZMBPMFUSA-N 0 3 302.315 4.325 20 30 DIEDHN CC(C)N(C)c1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000437101998 338301115 /nfs/dbraw/zinc/30/11/15/338301115.db2.gz FJDCVCUSLOGDFO-MRXNPFEDSA-N 0 3 307.441 4.254 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1ccc2nc(C)ccc2c1 ZINC000437797994 338321883 /nfs/dbraw/zinc/32/18/83/338321883.db2.gz KHEUBFWMTZVJRM-UHFFFAOYSA-N 0 3 306.409 4.367 20 30 DIEDHN C=CCOCCCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439322983 338367191 /nfs/dbraw/zinc/36/71/91/338367191.db2.gz QQKLHUVRMPGRDS-UHFFFAOYSA-N 0 3 311.828 4.193 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000572487148 338386546 /nfs/dbraw/zinc/38/65/46/338386546.db2.gz YHQPRNCRSNAHIA-UHFFFAOYSA-N 0 3 301.390 4.010 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2COCc2ccccc2)C1 ZINC000442717263 338428880 /nfs/dbraw/zinc/42/88/80/338428880.db2.gz NLISBXZKIDQKGB-WIYYLYMNSA-N 0 3 320.436 4.185 20 30 DIEDHN COc1ccc(-c2csc(CN[C@@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000442780138 338430779 /nfs/dbraw/zinc/43/07/79/338430779.db2.gz FTBMSMHTNSDFLW-XJKSGUPXSA-N 0 3 312.438 4.206 20 30 DIEDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442870269 338436684 /nfs/dbraw/zinc/43/66/84/338436684.db2.gz UWJPAEIGSRFANQ-QFBILLFUSA-N 0 3 306.409 4.144 20 30 DIEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000442887142 338438389 /nfs/dbraw/zinc/43/83/89/338438389.db2.gz UEOSZZPXQRQPJP-CQSZACIVSA-N 0 3 306.365 4.034 20 30 DIEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000446904591 338540170 /nfs/dbraw/zinc/54/01/70/338540170.db2.gz NCQHZQYDVSUGSF-JMSVASOKSA-N 0 3 307.235 4.182 20 30 DIEDHN CCO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000447569720 338557694 /nfs/dbraw/zinc/55/76/94/338557694.db2.gz QHOUUFIPPFPWKG-LIRRHRJNSA-N 0 3 312.388 4.126 20 30 DIEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000449291837 338610078 /nfs/dbraw/zinc/61/00/78/338610078.db2.gz NXBYCAVMQUODHG-TTXORMCVSA-N 0 3 317.380 4.285 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NC/C=C/c2ccc(Br)cc2)C1 ZINC000449452182 338625728 /nfs/dbraw/zinc/62/57/28/338625728.db2.gz FKXZWSCHSHJNBW-FKFXUJFPSA-N 0 3 319.246 4.134 20 30 DIEDHN N#Cc1csc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000449692020 338646649 /nfs/dbraw/zinc/64/66/49/338646649.db2.gz ZQGDCQBFBMUCSS-RDJZCZTQSA-N 0 3 311.454 4.078 20 30 DIEDHN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871064 338746766 /nfs/dbraw/zinc/74/67/66/338746766.db2.gz QTRGLGGWECADFY-DNVCBOLYSA-N 0 3 305.425 4.180 20 30 DIEDHN Cc1cc([C@H](N[C@H]2CC[C@@H](CC#N)C2)c2cccnc2)ccc1F ZINC000453296099 338820124 /nfs/dbraw/zinc/82/01/24/338820124.db2.gz TZEKXCCACSELFZ-QSFXBCCZSA-N 0 3 323.415 4.291 20 30 DIEDHN C=CCC1(CN[C@@H](c2ccccc2)c2cncnc2)CCCC1 ZINC000453377202 338834523 /nfs/dbraw/zinc/83/45/23/338834523.db2.gz PVDXHUDIMQNOKC-IBGZPJMESA-N 0 3 307.441 4.292 20 30 DIEDHN N#CCSCCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459581924 339037065 /nfs/dbraw/zinc/03/70/65/339037065.db2.gz QSFYMMMZFFRZGY-KRWDZBQOSA-N 0 3 300.471 4.251 20 30 DIEDHN N#CCCCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459584448 339037260 /nfs/dbraw/zinc/03/72/60/339037260.db2.gz AXLOQBSVXBAEEO-MRXNPFEDSA-N 0 3 316.836 4.437 20 30 DIEDHN C[C@H](CCCc1cccnc1)NCC#Cc1ccc(Cl)cc1 ZINC000459637865 339039781 /nfs/dbraw/zinc/03/97/81/339039781.db2.gz INISEQACLPPLIV-MRXNPFEDSA-N 0 3 312.844 4.088 20 30 DIEDHN CC(C)(C)c1nn(-c2ccccc2)cc1CNCC(C)(C)CC#N ZINC000459729638 339044888 /nfs/dbraw/zinc/04/48/88/339044888.db2.gz KLOVQLNPRMUAKX-UHFFFAOYSA-N 0 3 324.472 4.199 20 30 DIEDHN CC[C@H](CCc1ccc(Br)cc1)N[C@@H](CC)CC#N ZINC000462057223 339071554 /nfs/dbraw/zinc/07/15/54/339071554.db2.gz JAHOMQBOFWSQRG-CVEARBPZSA-N 0 3 323.278 4.442 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H](C)Oc1ccccc1C ZINC000462735258 339085784 /nfs/dbraw/zinc/08/57/84/339085784.db2.gz OYBCZHPIIALQOT-KRWDZBQOSA-N 0 3 311.425 4.117 20 30 DIEDHN N#Cc1ccc(OCCNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000462767241 339087598 /nfs/dbraw/zinc/08/75/98/339087598.db2.gz ZKWLGVFHGBWBNN-UHFFFAOYSA-N 0 3 321.207 4.034 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000463295300 339113765 /nfs/dbraw/zinc/11/37/65/339113765.db2.gz ZODHUJHRKVNQOH-QUCCMNQESA-N 0 3 320.436 4.438 20 30 DIEDHN CCN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)OC ZINC000463421195 339117188 /nfs/dbraw/zinc/11/71/88/339117188.db2.gz YDRUBCGGXZNXDJ-MRXNPFEDSA-N 0 3 308.425 4.082 20 30 DIEDHN C=C(C)COc1cc(CN[C@@H](C)CC(F)(F)F)ccc1OC ZINC000463714438 339124437 /nfs/dbraw/zinc/12/44/37/339124437.db2.gz BIKHJWAZSVTDFB-LBPRGKRZSA-N 0 3 317.351 4.081 20 30 DIEDHN Cc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000464411162 339141561 /nfs/dbraw/zinc/14/15/61/339141561.db2.gz LBXWYDSMSYKYTK-AWEZNQCLSA-N 0 3 318.298 4.207 20 30 DIEDHN CCCN(CCc1cccs1)Cc1cc(C#N)ccc1OC ZINC000464582798 339146065 /nfs/dbraw/zinc/14/60/65/339146065.db2.gz XYMFRKOOHKKHPX-UHFFFAOYSA-N 0 3 314.454 4.083 20 30 DIEDHN C[C@H]1C[C@H](c2ccccc2F)N(CCOc2ccccc2C#N)C1 ZINC000464741293 339150708 /nfs/dbraw/zinc/15/07/08/339150708.db2.gz SUQVFMLHFQKION-HNAYVOBHSA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@H]1C[C@H](c2ccccc2F)N(CCOc2cccc(C#N)c2)C1 ZINC000464743081 339150747 /nfs/dbraw/zinc/15/07/47/339150747.db2.gz YMRDGJCEJODDNX-MGPUTAFESA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)[C@@H](c2ccco2)C1 ZINC000464852786 339157810 /nfs/dbraw/zinc/15/78/10/339157810.db2.gz CDWRZERSECOBRZ-NVXWUHKLSA-N 0 3 310.397 4.003 20 30 DIEDHN N#Cc1cccc(CCNCc2cc(Cl)ccc2Cl)c1 ZINC000466421962 339204006 /nfs/dbraw/zinc/20/40/06/339204006.db2.gz INPFJPIOVSWTAT-UHFFFAOYSA-N 0 3 305.208 4.197 20 30 DIEDHN CCN(CCCSCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000466704153 339213474 /nfs/dbraw/zinc/21/34/74/339213474.db2.gz BMHSNHKDMMMNEE-UHFFFAOYSA-N 0 3 317.285 4.462 20 30 DIEDHN C=CCCN(C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000467300722 339230400 /nfs/dbraw/zinc/23/04/00/339230400.db2.gz HALYQXJXSCGUDJ-UHFFFAOYSA-N 0 3 301.821 4.113 20 30 DIEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000467428852 339237908 /nfs/dbraw/zinc/23/79/08/339237908.db2.gz JOHSJIWHDKANMA-GFCCVEGCSA-N 0 3 302.780 4.244 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(F)c(C#N)c1 ZINC000468270791 339258274 /nfs/dbraw/zinc/25/82/74/339258274.db2.gz QICCBSKYJAGZTH-CXAGYDPISA-N 0 3 312.363 4.214 20 30 DIEDHN N#Cc1cc(CN(CCc2ccc(F)cc2)C2CC2)ccc1F ZINC000468287538 339258991 /nfs/dbraw/zinc/25/89/91/339258991.db2.gz QUDTXFQAZXVRMC-UHFFFAOYSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCOCCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000470765990 339327218 /nfs/dbraw/zinc/32/72/18/339327218.db2.gz OSZYDJAREBJXLH-UHFFFAOYSA-N 0 3 300.229 4.165 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152533 339364484 /nfs/dbraw/zinc/36/44/84/339364484.db2.gz HDVVPJOVHLDETA-QFBILLFUSA-N 0 3 324.399 4.187 20 30 DIEDHN CC(C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000472407143 339371555 /nfs/dbraw/zinc/37/15/55/339371555.db2.gz JPANYSJGKQIJTQ-MLGOLLRUSA-N 0 3 304.821 4.237 20 30 DIEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCC23CCCC3)cc1 ZINC000474055093 339399521 /nfs/dbraw/zinc/39/95/21/339399521.db2.gz GRQTUACHZHHWMZ-MRXNPFEDSA-N 0 3 307.359 4.369 20 30 DIEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCC23CCCC3)cc1 ZINC000474055086 339399537 /nfs/dbraw/zinc/39/95/37/339399537.db2.gz GRQTUACHZHHWMZ-INIZCTEOSA-N 0 3 307.359 4.369 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565715 339455663 /nfs/dbraw/zinc/45/56/63/339455663.db2.gz MFRSXYZBBPHOEY-QAPCUYQASA-N 0 3 312.363 4.262 20 30 DIEDHN Cn1cc(CN[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309715 339568550 /nfs/dbraw/zinc/56/85/50/339568550.db2.gz LZQSNFJUQWHKJE-BEFAXECRSA-N 0 3 319.452 4.286 20 30 DIEDHN C=C(C)[C@@H](N[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000480667941 339582117 /nfs/dbraw/zinc/58/21/17/339582117.db2.gz SANWPAJLRNOOGF-FZKQIMNGSA-N 0 3 309.400 4.377 20 30 DIEDHN COc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1C ZINC000481645014 339608568 /nfs/dbraw/zinc/60/85/68/339608568.db2.gz MSNYKBSRIJJYEO-HXUWFJFHSA-N 0 3 320.436 4.433 20 30 DIEDHN COc1cc(C)ccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481666373 339609205 /nfs/dbraw/zinc/60/92/05/339609205.db2.gz GVWMJKMTMQJOTP-HXUWFJFHSA-N 0 3 320.436 4.433 20 30 DIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2ncsc2c1 ZINC000485803523 339713160 /nfs/dbraw/zinc/71/31/60/339713160.db2.gz OQAKQNYWBXITTO-LLVKDONJSA-N 0 3 311.385 4.158 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(C)c2)C2CC2)cc1 ZINC000488133765 339771465 /nfs/dbraw/zinc/77/14/65/339771465.db2.gz CBTZPQSRVYJUNA-FQEVSTJZSA-N 0 3 306.409 4.116 20 30 DIEDHN C=CCC(C)(C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000489704492 339816549 /nfs/dbraw/zinc/81/65/49/339816549.db2.gz OZVRRNZFVZWPBH-UHFFFAOYSA-N 0 3 314.473 4.005 20 30 DIEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000493962738 339937526 /nfs/dbraw/zinc/93/75/26/339937526.db2.gz WBNVXFBHWBGBNN-OXQOHEQNSA-N 0 3 311.425 4.117 20 30 DIEDHN C=CCC[C@H](C(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000494903689 339964159 /nfs/dbraw/zinc/96/41/59/339964159.db2.gz OHPYAILOPYPLSY-FQEVSTJZSA-N 0 3 322.452 4.437 20 30 DIEDHN C=CCOc1cccc(CNCCc2nc3ccccc3s2)c1 ZINC000500143768 340051209 /nfs/dbraw/zinc/05/12/09/340051209.db2.gz ZOOVJXROIQGHEY-UHFFFAOYSA-N 0 3 324.449 4.193 20 30 DIEDHN CSc1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000500245963 340053939 /nfs/dbraw/zinc/05/39/39/340053939.db2.gz OPVOJHUEQQGHHQ-AWEZNQCLSA-N 0 3 312.438 4.010 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000502551290 340107442 /nfs/dbraw/zinc/10/74/42/340107442.db2.gz MXTGBDZRDKLXSH-IBGZPJMESA-N 0 3 312.388 4.193 20 30 DIEDHN C=CCc1cc(CN(C)Cc2ccc(C)cc2)cc(OC)c1O ZINC000505603324 340172581 /nfs/dbraw/zinc/17/25/81/340172581.db2.gz COFSRNFDSLRTBG-UHFFFAOYSA-N 0 3 311.425 4.070 20 30 DIEDHN COc1cccc(CN(C)Cc2cccc(OCCCC#N)c2)c1 ZINC000505667388 340174780 /nfs/dbraw/zinc/17/47/80/340174780.db2.gz ZMGLXAOCDRHBPQ-UHFFFAOYSA-N 0 3 324.424 4.010 20 30 DIEDHN Cc1ccc(Cl)cc1N1CCN(CC(C)(C)CCC#N)CC1 ZINC000505752224 340176636 /nfs/dbraw/zinc/17/66/36/340176636.db2.gz ZGMZELCRIGOMAX-UHFFFAOYSA-N 0 3 319.880 4.100 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)c2nc3ccccc3s2)c1C ZINC000505777895 340177611 /nfs/dbraw/zinc/17/76/11/340177611.db2.gz RPIZVSPOQQRPNP-ZDUSSCGKSA-N 0 3 321.405 4.159 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](COc2ccccc2)C1 ZINC000505867377 340180116 /nfs/dbraw/zinc/18/01/16/340180116.db2.gz BQXMETKNDGIOTO-AEFFLSMTSA-N 0 3 306.409 4.020 20 30 DIEDHN C=CCc1cc(CN(CC)Cc2cccs2)cc(OC)c1O ZINC000506021021 340183529 /nfs/dbraw/zinc/18/35/29/340183529.db2.gz GLZMOKPCOPFNSK-UHFFFAOYSA-N 0 3 317.454 4.213 20 30 DIEDHN C=CCOc1ccc(CN(Cc2ccncc2)C(C)(C)C)cc1 ZINC000506050711 340184366 /nfs/dbraw/zinc/18/43/66/340184366.db2.gz FTFZBLMUMVAKKM-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN CC(C)(C)c1cccc(OCCNCc2cccc(C#N)c2)c1 ZINC000506284265 340191130 /nfs/dbraw/zinc/19/11/30/340191130.db2.gz MOWNMPDGUUFDFT-UHFFFAOYSA-N 0 3 308.425 4.024 20 30 DIEDHN CCC1CCC(N(Cc2cnc3ccc(C#N)cn23)C2CC2)CC1 ZINC000506570596 340197006 /nfs/dbraw/zinc/19/70/06/340197006.db2.gz MOKVOIDAMABZAV-UHFFFAOYSA-N 0 3 322.456 4.139 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1C ZINC000507152727 340209872 /nfs/dbraw/zinc/20/98/72/340209872.db2.gz YSNUYWQVDLUGIN-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(C#N)cc1 ZINC000507157695 340209989 /nfs/dbraw/zinc/20/99/89/340209989.db2.gz BQISEPIHUAQMRI-FQEVSTJZSA-N 0 3 306.409 4.076 20 30 DIEDHN Cc1ccccc1[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000507184662 340211738 /nfs/dbraw/zinc/21/17/38/340211738.db2.gz WMJWUUJGIVSBGU-KRWDZBQOSA-N 0 3 315.420 4.109 20 30 DIEDHN COCc1ccccc1/C=C(\C)CN(C)Cc1ccc(C#N)cc1 ZINC000507189115 340211926 /nfs/dbraw/zinc/21/19/26/340211926.db2.gz INCAGIFUWYCHNV-SFQUDFHCSA-N 0 3 320.436 4.240 20 30 DIEDHN CCN(Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000507222887 340214477 /nfs/dbraw/zinc/21/44/77/340214477.db2.gz XHKYWXJLXFRAAR-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN COc1ccccc1-c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000507691924 340228430 /nfs/dbraw/zinc/22/84/30/340228430.db2.gz RUEUOIPMNPSASP-UHFFFAOYSA-N 0 3 320.436 4.488 20 30 DIEDHN COc1ccsc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000507731607 340229731 /nfs/dbraw/zinc/22/97/31/340229731.db2.gz KBLBDOXRWGTLDM-UHFFFAOYSA-N 0 3 314.454 4.287 20 30 DIEDHN C=C(C)CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000507949454 340236420 /nfs/dbraw/zinc/23/64/20/340236420.db2.gz HNJJEKZNPARUSU-AWEZNQCLSA-N 0 3 317.820 4.146 20 30 DIEDHN CCN(Cc1ccc(OC)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508604385 340247756 /nfs/dbraw/zinc/24/77/56/340247756.db2.gz MFQRPSZPSJXZIF-MRXNPFEDSA-N 0 3 308.425 4.458 20 30 DIEDHN C=CCOc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1 ZINC000508627847 340248847 /nfs/dbraw/zinc/24/88/47/340248847.db2.gz CURDXHCZSAULLW-UHFFFAOYSA-N 0 3 322.452 4.101 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(COC)c1 ZINC000508643870 340249265 /nfs/dbraw/zinc/24/92/65/340249265.db2.gz QIFRVCOXVPWGKZ-UHFFFAOYSA-N 0 3 308.425 4.117 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000086584630 340252627 /nfs/dbraw/zinc/25/26/27/340252627.db2.gz PENMRELJUSZVIT-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN CCOc1ccc(C2=CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000509456716 340270129 /nfs/dbraw/zinc/27/01/29/340270129.db2.gz YOEFOVCZKSQBIJ-UHFFFAOYSA-N 0 3 318.420 4.246 20 30 DIEDHN COCc1ccccc1/C=C(/C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000509796913 340279382 /nfs/dbraw/zinc/27/93/82/340279382.db2.gz DUFDAORHXBFKEZ-WBILKINKSA-N 0 3 320.436 4.459 20 30 DIEDHN N#Cc1csc(CN2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000510392966 340297852 /nfs/dbraw/zinc/29/78/52/340297852.db2.gz GFKCGSVGTBVWHA-UHFFFAOYSA-N 0 3 314.429 4.214 20 30 DIEDHN CN(CCCOc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC000510470344 340300547 /nfs/dbraw/zinc/30/05/47/340300547.db2.gz UTJTXSGIJWWCCS-UHFFFAOYSA-N 0 3 320.845 4.174 20 30 DIEDHN CCN(CC)[C@H](CNc1ccc(C#N)cc1F)c1ccsc1 ZINC000303160821 340307573 /nfs/dbraw/zinc/30/75/73/340307573.db2.gz TWXWMCYTZQEVDZ-QGZVFWFLSA-N 0 3 317.433 4.254 20 30 DIEDHN C=C(C)CCN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000510815814 340311897 /nfs/dbraw/zinc/31/18/97/340311897.db2.gz WSZNZPPHDBUAJJ-AWEZNQCLSA-N 0 3 310.235 4.171 20 30 DIEDHN C[C@H](CN1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000510886198 340313833 /nfs/dbraw/zinc/31/38/33/340313833.db2.gz AYKPDKQAHMTHCL-GFCCVEGCSA-N 0 3 314.326 4.137 20 30 DIEDHN Cc1cccc(C)c1OCCCN(C)Cc1cccc(C#N)c1 ZINC000303440261 340325421 /nfs/dbraw/zinc/32/54/21/340325421.db2.gz APYFKJNAOMCXBE-UHFFFAOYSA-N 0 3 308.425 4.076 20 30 DIEDHN COc1c(C)cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000303680839 340342520 /nfs/dbraw/zinc/34/25/20/340342520.db2.gz IZSVVXCIZHHTKI-INIZCTEOSA-N 0 3 308.425 4.377 20 30 DIEDHN CCC(C)(C)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511939512 340343336 /nfs/dbraw/zinc/34/33/36/340343336.db2.gz DBXCEXFXKFDHHV-QGZVFWFLSA-N 0 3 321.424 4.271 20 30 DIEDHN C=C(C)COCCN[C@H](C)c1cc(C)c(Br)s1 ZINC000512058755 340347107 /nfs/dbraw/zinc/34/71/07/340347107.db2.gz OYOWOEOAEADUNH-LLVKDONJSA-N 0 3 318.280 4.062 20 30 DIEDHN C=CCCOCCNCc1ccc(-c2ccccc2)cc1OC ZINC000512386573 340359898 /nfs/dbraw/zinc/35/98/98/340359898.db2.gz HDUFSRLHVMMCCG-UHFFFAOYSA-N 0 3 311.425 4.045 20 30 DIEDHN C=CCOc1ccc(CNC/C=C\c2ccccc2OC)cc1 ZINC000512577870 340367684 /nfs/dbraw/zinc/36/76/84/340367684.db2.gz LKWMUQYPPNKNGD-VURMDHGXSA-N 0 3 309.409 4.063 20 30 DIEDHN C=CCOc1ccc(CNC/C=C/c2ccccc2OC)cc1 ZINC000512577869 340367716 /nfs/dbraw/zinc/36/77/16/340367716.db2.gz LKWMUQYPPNKNGD-SOFGYWHQSA-N 0 3 309.409 4.063 20 30 DIEDHN C[C@H](NC[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629636 340370090 /nfs/dbraw/zinc/37/00/90/340370090.db2.gz JPJOSTSIOTUWPV-JCKWVBRZSA-N 0 3 318.436 4.189 20 30 DIEDHN CC(C)c1nc(CCN[C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000512637359 340370316 /nfs/dbraw/zinc/37/03/16/340370316.db2.gz VBQQAYRNICTEDW-GFCCVEGCSA-N 0 3 317.433 4.171 20 30 DIEDHN Cc1ccc(C[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643778 340370658 /nfs/dbraw/zinc/37/06/58/340370658.db2.gz YJOGWOUWVGWHNY-WCQYABFASA-N 0 3 302.418 4.349 20 30 DIEDHN Cc1ccc(C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643776 340370679 /nfs/dbraw/zinc/37/06/79/340370679.db2.gz YJOGWOUWVGWHNY-AAEUAGOBSA-N 0 3 302.418 4.349 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646667 340370785 /nfs/dbraw/zinc/37/07/85/340370785.db2.gz CCGANDMGKBYSTI-JNAXZKDPSA-N 0 3 324.399 4.126 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000512646953 340370804 /nfs/dbraw/zinc/37/08/04/340370804.db2.gz FQCWNEKQIIOFAC-LKWXMQFFSA-N 0 3 324.399 4.301 20 30 DIEDHN C[C@H](NCCCOC1CCCCC1)c1ccc(C#N)cc1F ZINC000512649113 340370935 /nfs/dbraw/zinc/37/09/35/340370935.db2.gz QNDLDLAUYZPCOD-AWEZNQCLSA-N 0 3 304.409 4.087 20 30 DIEDHN Cc1cccc(C)c1OCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512649708 340371011 /nfs/dbraw/zinc/37/10/11/340371011.db2.gz UAOVXLVAQHCXFU-HNNXBMFYSA-N 0 3 312.388 4.044 20 30 DIEDHN Cc1ccc(CC[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661183 340371764 /nfs/dbraw/zinc/37/17/64/340371764.db2.gz QHEBCRXMOHQURP-OCCSQVGLSA-N 0 3 300.377 4.271 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(CSC)cc2)c1 ZINC000512977446 340386627 /nfs/dbraw/zinc/38/66/27/340386627.db2.gz MDNVXVBAUAVVQZ-UHFFFAOYSA-N 0 3 313.466 4.404 20 30 DIEDHN CCN(CC)[C@@H](CNc1cccc(F)c1C#N)c1ccsc1 ZINC000513173859 340395731 /nfs/dbraw/zinc/39/57/31/340395731.db2.gz YWCDIWRJKILAML-KRWDZBQOSA-N 0 3 317.433 4.254 20 30 DIEDHN C[C@H]1SCCN(CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000174868212 340398018 /nfs/dbraw/zinc/39/80/18/340398018.db2.gz KISZIUORVBBWAB-WBVHZDCISA-N 0 3 302.487 4.495 20 30 DIEDHN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000195322557 340577863 /nfs/dbraw/zinc/57/78/63/340577863.db2.gz XHERBNHHCWBJCK-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000322717232 340706006 /nfs/dbraw/zinc/70/60/06/340706006.db2.gz ABYIVGJZZPSPAP-AWEZNQCLSA-N 0 3 308.400 4.427 20 30 DIEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000537986024 340805599 /nfs/dbraw/zinc/80/55/99/340805599.db2.gz FSARRQWDYWFHNG-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN C=CCC[C@H](NCc1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000539360867 340882525 /nfs/dbraw/zinc/88/25/25/340882525.db2.gz ARWCKQZPIOFJJL-KRWDZBQOSA-N 0 3 313.397 4.172 20 30 DIEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000539508418 340888499 /nfs/dbraw/zinc/88/84/99/340888499.db2.gz XKSCBQNDLNNXPD-ZIAGYGMSSA-N 0 3 314.816 4.330 20 30 DIEDHN C=CCC[C@H](NCC(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000540460319 340932121 /nfs/dbraw/zinc/93/21/21/340932121.db2.gz IPZRSZMILMNYCC-XLIONFOSSA-N 0 3 322.452 4.161 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@H]2N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000540595141 340937413 /nfs/dbraw/zinc/93/74/13/340937413.db2.gz OBWGOGUNNIXECO-DQLDELGASA-N 0 3 320.436 4.438 20 30 DIEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000540609662 340938734 /nfs/dbraw/zinc/93/87/34/340938734.db2.gz WIFWBPQPCBRNSA-NJSLBKSFSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](NCC(C)(C)Oc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540705436 340942276 /nfs/dbraw/zinc/94/22/76/340942276.db2.gz GDDLWBRUWNEXAS-CQSZACIVSA-N 0 3 312.388 4.206 20 30 DIEDHN CCCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000541594341 340976755 /nfs/dbraw/zinc/97/67/55/340976755.db2.gz ARHZZNCXRNECIC-KRWDZBQOSA-N 0 3 324.428 4.057 20 30 DIEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(CC#N)cc2)C1 ZINC000542276944 341002952 /nfs/dbraw/zinc/00/29/52/341002952.db2.gz FIPWFJWUDBADGJ-QRWLVFNGSA-N 0 3 308.400 4.475 20 30 DIEDHN C[C@@H](NCCCC#N)c1ccc2ccccc2c1OC(F)F ZINC000542499687 341010672 /nfs/dbraw/zinc/01/06/72/341010672.db2.gz UKRLHCOIGJYDOE-GFCCVEGCSA-N 0 3 304.340 4.396 20 30 DIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000130329677 341017282 /nfs/dbraw/zinc/01/72/82/341017282.db2.gz WSPDWUNBWFVONG-NSHDSACASA-N 0 3 306.818 4.003 20 30 DIEDHN N#CCc1ccc(CN2CCC(COc3ccccc3)CC2)cc1 ZINC000543140664 341033893 /nfs/dbraw/zinc/03/38/93/341033893.db2.gz OZXGGUDLXBKDEP-UHFFFAOYSA-N 0 3 320.436 4.044 20 30 DIEDHN C=CCN(Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000543190947 341036065 /nfs/dbraw/zinc/03/60/65/341036065.db2.gz AUGRLHAGQRKBDT-UHFFFAOYSA-N 0 3 317.230 4.148 20 30 DIEDHN COc1ccc2c(c1)C[C@H](C)N(CCCC(C)(C)C#N)[C@H]2C ZINC000543808935 341059968 /nfs/dbraw/zinc/05/99/68/341059968.db2.gz BGEBKNHFOBWLHL-GJZGRUSLSA-N 0 3 300.446 4.333 20 30 DIEDHN COc1ccc2c(c1)C[C@H](C)N(CCCC(C)(C)C#N)[C@@H]2C ZINC000543808937 341060097 /nfs/dbraw/zinc/06/00/97/341060097.db2.gz BGEBKNHFOBWLHL-LSDHHAIUSA-N 0 3 300.446 4.333 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2ccncc2)c1 ZINC000131185443 341064029 /nfs/dbraw/zinc/06/40/29/341064029.db2.gz WYMXQHBHESVMGH-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCCC1 ZINC000131644167 341105682 /nfs/dbraw/zinc/10/56/82/341105682.db2.gz BXGIXRTZUHPRFJ-QGZVFWFLSA-N 0 3 319.452 4.351 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OC)c(Cl)c2)cc1 ZINC000132303142 341120374 /nfs/dbraw/zinc/12/03/74/341120374.db2.gz OQYCLFHFDMRIJB-UHFFFAOYSA-N 0 3 317.816 4.203 20 30 DIEDHN Cc1ccc(C(C)(C)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000545396814 341123948 /nfs/dbraw/zinc/12/39/48/341123948.db2.gz HVDVGKUZNNYRFZ-UHFFFAOYSA-N 0 3 307.441 4.216 20 30 DIEDHN N#CC(C(=O)c1csc2ccccc12)c1nc2ccccc2[nH]1 ZINC000073972349 341124251 /nfs/dbraw/zinc/12/42/51/341124251.db2.gz UCGFNDYIXOJYGV-LBPRGKRZSA-N 0 3 317.373 4.268 20 30 DIEDHN CN(CCCSCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000074981894 341158584 /nfs/dbraw/zinc/15/85/84/341158584.db2.gz ISVYPWBSAWVNIU-UHFFFAOYSA-N 0 3 303.258 4.072 20 30 DIEDHN C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755821 341182009 /nfs/dbraw/zinc/18/20/09/341182009.db2.gz YNYVWGKBEQGXCR-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000236733708 341197346 /nfs/dbraw/zinc/19/73/46/341197346.db2.gz RNKCRUWOFZAPSW-UHFFFAOYSA-N 0 3 302.805 4.163 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(OC)CCCCC1 ZINC000564316703 341205620 /nfs/dbraw/zinc/20/56/20/341205620.db2.gz WISBCPYASURMID-UHFFFAOYSA-N 0 3 319.493 4.191 20 30 DIEDHN C=CC[C@H](CO)N[C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393557 341210792 /nfs/dbraw/zinc/21/07/92/341210792.db2.gz UKNMLAXZSKYXIS-TZMCWYRMSA-N 0 3 321.367 4.029 20 30 DIEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393555 341210797 /nfs/dbraw/zinc/21/07/97/341210797.db2.gz UKNMLAXZSKYXIS-JSGCOSHPSA-N 0 3 321.367 4.029 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cccc(C#N)c1 ZINC000076767100 341213831 /nfs/dbraw/zinc/21/38/31/341213831.db2.gz CWHKNHBCELZMCX-FZKQIMNGSA-N 0 3 314.816 4.077 20 30 DIEDHN N#Cc1cccc(COc2cccc(CN[C@H]3C=CCCC3)c2)c1 ZINC000237848966 341221941 /nfs/dbraw/zinc/22/19/41/341221941.db2.gz FBSVSLOVGNUVMU-FQEVSTJZSA-N 0 3 318.420 4.336 20 30 DIEDHN N#Cc1ccc(CNCC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000237882897 341222461 /nfs/dbraw/zinc/22/24/61/341222461.db2.gz CBLCKUMDOXSISK-UHFFFAOYSA-N 0 3 314.816 4.406 20 30 DIEDHN C=CCCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000547869844 341238660 /nfs/dbraw/zinc/23/86/60/341238660.db2.gz MDZXIHVLZGGUAE-GOSISDBHSA-N 0 3 309.388 4.082 20 30 DIEDHN CCC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488194 341263553 /nfs/dbraw/zinc/26/35/53/341263553.db2.gz YNRWPVCWHQATGA-WBVHZDCISA-N 0 3 324.428 4.057 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000079720612 341264476 /nfs/dbraw/zinc/26/44/76/341264476.db2.gz RXMJLCXAKLQDOM-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000549136921 341286690 /nfs/dbraw/zinc/28/66/90/341286690.db2.gz VCEGISNSTQOKNW-FQEVSTJZSA-N 0 3 322.452 4.139 20 30 DIEDHN Cc1ccccc1[C@H](NCc1cnc2ccc(C#N)cn12)C(C)C ZINC000551799088 341352162 /nfs/dbraw/zinc/35/21/62/341352162.db2.gz JXNBEIZNENGCPK-HXUWFJFHSA-N 0 3 318.424 4.001 20 30 DIEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823461 341353075 /nfs/dbraw/zinc/35/30/75/341353075.db2.gz GWFIKFDTKRNENN-LSDHHAIUSA-N 0 3 308.347 4.235 20 30 DIEDHN C=CCC[C@H](NC[C@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043700 341364501 /nfs/dbraw/zinc/36/45/01/341364501.db2.gz ZGZDWSIOZILEEC-YJBOKZPZSA-N 0 3 315.413 4.353 20 30 DIEDHN C=CCC[C@@H](NCCc1ccc(OC)cc1OC)c1ccco1 ZINC000552047531 341364912 /nfs/dbraw/zinc/36/49/12/341364912.db2.gz POZAICWXMURLLS-QGZVFWFLSA-N 0 3 315.413 4.136 20 30 DIEDHN C=CCC[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000552246004 341381069 /nfs/dbraw/zinc/38/10/69/341381069.db2.gz DPPWPEFDINCTIV-HNNXBMFYSA-N 0 3 300.358 4.027 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1 ZINC000552324741 341386538 /nfs/dbraw/zinc/38/65/38/341386538.db2.gz HWNPHEJSUJDOML-INIZCTEOSA-N 0 3 310.441 4.168 20 30 DIEDHN CC(C)Oc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564432039 341501687 /nfs/dbraw/zinc/50/16/87/341501687.db2.gz NYHBGXDEGNXKHL-FQEVSTJZSA-N 0 3 306.409 4.123 20 30 DIEDHN COc1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218255 341520449 /nfs/dbraw/zinc/52/04/49/341520449.db2.gz MHPHOLXZGVBDRX-QAPCUYQASA-N 0 3 309.413 4.176 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432059 341622561 /nfs/dbraw/zinc/62/25/61/341622561.db2.gz DTZYGIXNQAWIOB-GJZGRUSLSA-N 0 3 310.397 4.009 20 30 DIEDHN CC(C)Oc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000271764022 341624475 /nfs/dbraw/zinc/62/44/75/341624475.db2.gz MWLFHGSMFCPEBN-INIZCTEOSA-N 0 3 324.424 4.227 20 30 DIEDHN CC[C@@]1(CN[C@@H](C)c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000568807396 341682309 /nfs/dbraw/zinc/68/23/09/341682309.db2.gz PYPZNWNKYACZQK-KKSFZXQISA-N 0 3 320.436 4.087 20 30 DIEDHN C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC000168014328 341728895 /nfs/dbraw/zinc/72/88/95/341728895.db2.gz OMTGQGYGOUWBMD-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN C=CCOCCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000573665832 341735432 /nfs/dbraw/zinc/73/54/32/341735432.db2.gz AVBVMYYIULYEJR-CQSZACIVSA-N 0 3 316.470 4.280 20 30 DIEDHN CCOc1cccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848272 341770725 /nfs/dbraw/zinc/77/07/25/341770725.db2.gz XXYFOVSJWQTNDO-VBKZILBWSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C#N)cs1 ZINC000175978152 341854750 /nfs/dbraw/zinc/85/47/50/341854750.db2.gz QUPPMICMHOIEJX-PIGZYNQJSA-N 0 3 300.402 4.172 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C#N)cs1 ZINC000175978166 341854802 /nfs/dbraw/zinc/85/48/02/341854802.db2.gz QUPPMICMHOIEJX-APPDUMDISA-N 0 3 300.402 4.172 20 30 DIEDHN COc1ccc2cc(CNCc3ccc(C#N)s3)ccc2c1 ZINC000176943862 341905825 /nfs/dbraw/zinc/90/58/25/341905825.db2.gz WINOVAFQEBOFQU-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN CO[C@H](c1ccccc1F)[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000577665934 341928080 /nfs/dbraw/zinc/92/80/80/341928080.db2.gz KBUJNTUAVNUWFJ-CWVNLOTRSA-N 0 3 324.399 4.050 20 30 DIEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000577991728 341964470 /nfs/dbraw/zinc/96/44/70/341964470.db2.gz MQYHQIROXCKWQU-HOTGVXAUSA-N 0 3 309.413 4.003 20 30 DIEDHN N#C[C@@H]1CC[C@H](NC2(c3cccc(Br)c3)CCC2)C1 ZINC000442867809 518196363 /nfs/dbraw/zinc/19/63/63/518196363.db2.gz ZKHVINKYHFLNKD-DOMZBBRYSA-N 0 3 319.246 4.110 20 30 DIEDHN CC(C)c1nc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)no1 ZINC000265579075 519860529 /nfs/dbraw/zinc/86/05/29/519860529.db2.gz XWPCUHLRGXNZMI-CQSZACIVSA-N 0 3 324.428 4.005 20 30 DIEDHN CC(C)c1nc([C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566139 519867939 /nfs/dbraw/zinc/86/79/39/519867939.db2.gz WFCZVWQMZIENJA-YOEHRIQHSA-N 0 3 324.428 4.005 20 30 DIEDHN C[C@H](NCc1ccc(-c2cccnc2)cc1)c1cccc(C#N)c1 ZINC000365044695 525432739 /nfs/dbraw/zinc/43/27/39/525432739.db2.gz RRFPEUMXXHGOIC-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430756 525594539 /nfs/dbraw/zinc/59/45/39/525594539.db2.gz RNSDFNXGZRKEAO-LAUBAEHRSA-N 0 3 319.452 4.046 20 30 DIEDHN C[C@@H](c1ccccc1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715772 526092534 /nfs/dbraw/zinc/09/25/34/526092534.db2.gz NYXUKJQSAKWZJM-INIZCTEOSA-N 0 3 306.409 4.163 20 30 DIEDHN Cn1cc(CNC2(c3ccc(Cl)cc3)CCCC2)cc1C#N ZINC000191083912 527215084 /nfs/dbraw/zinc/21/50/84/527215084.db2.gz DHQFUVDBBDRZMX-UHFFFAOYSA-N 0 3 313.832 4.109 20 30 DIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nc(Br)ccc1F ZINC000788694009 1050726364 /nfs/dbraw/zinc/72/63/64/1050726364.db2.gz TWTJQTPJQBZYLT-MNOVXSKESA-N 0 3 315.230 4.379 20 30 DIEDHN C=CCC[C@@H](NCc1cn(C)nc1C(F)F)c1ccccc1 ZINC000274521472 1035508896 /nfs/dbraw/zinc/50/88/96/1035508896.db2.gz YKEUOSABHCEJIJ-OAHLLOKOSA-N 0 3 305.372 4.155 20 30 DIEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000610213304 1035746357 /nfs/dbraw/zinc/74/63/57/1035746357.db2.gz YFYVOXFDEPVGGB-CTWPCTMYSA-N 0 3 319.537 4.005 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 ZINC000610216138 1035752595 /nfs/dbraw/zinc/75/25/95/1035752595.db2.gz OOFOINNVWMBWLE-BEFAXECRSA-N 0 3 308.400 4.323 20 30 DIEDHN C#CCCCN(Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC001209269946 1036092125 /nfs/dbraw/zinc/09/21/25/1036092125.db2.gz SCGDZWAWABZYOV-UHFFFAOYSA-N 0 3 323.436 4.119 20 30 DIEDHN COCCN(Cc1ccc(C)c(C#N)c1)Cc1ccc(C)cc1C ZINC001167227310 1036295126 /nfs/dbraw/zinc/29/51/26/1036295126.db2.gz KPIIOPMMJJQPKH-UHFFFAOYSA-N 0 3 322.452 4.132 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175750727 1036392679 /nfs/dbraw/zinc/39/26/79/1036392679.db2.gz SLMUAZPNRYXJOK-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000610345104 1036838165 /nfs/dbraw/zinc/83/81/65/1036838165.db2.gz RVPFQZQHBVYFFD-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1SC ZINC000610345168 1036839121 /nfs/dbraw/zinc/83/91/21/1036839121.db2.gz WCHZFSOCWLUECW-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN CCCCCCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001167387815 1037094684 /nfs/dbraw/zinc/09/46/84/1037094684.db2.gz XMPVIQCCRNIYLP-SFHVURJKSA-N 0 3 302.462 4.084 20 30 DIEDHN CC1(C)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537632979 1037270024 /nfs/dbraw/zinc/27/00/24/1037270024.db2.gz BOFHTYBQSHDKCT-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC#Cc1ccc(F)cc1 ZINC001167433963 1037293722 /nfs/dbraw/zinc/29/37/22/1037293722.db2.gz QBUNVPVNJAILAS-MAUKXSAKSA-N 0 3 311.375 4.194 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000580919702 1037357223 /nfs/dbraw/zinc/35/72/23/1037357223.db2.gz WLPPMOLLHGJYBO-IBGZPJMESA-N 0 3 324.424 4.159 20 30 DIEDHN CCn1c2ccccc2nc1[C@H]1CCCN1C[C@@H](C)CCC#N ZINC000602456050 1038011891 /nfs/dbraw/zinc/01/18/91/1038011891.db2.gz ZLVDRYWVGZSIIB-MAUKXSAKSA-N 0 3 310.445 4.133 20 30 DIEDHN COc1cc(C)c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176211 1038036846 /nfs/dbraw/zinc/03/68/46/1038036846.db2.gz HZSVEMCWLJFLIT-GJZGRUSLSA-N 0 3 324.424 4.296 20 30 DIEDHN N#CC1CCC(NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000602750741 1038082854 /nfs/dbraw/zinc/08/28/54/1038082854.db2.gz BRHVXDZWWGCLLI-UHFFFAOYSA-N 0 3 314.763 4.113 20 30 DIEDHN N#CCC1(CN2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000602768699 1038087757 /nfs/dbraw/zinc/08/77/57/1038087757.db2.gz RXTKQOJZBWIPOV-UHFFFAOYSA-N 0 3 311.454 4.170 20 30 DIEDHN Cc1nc2ccccc2n1CCCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602982333 1038116129 /nfs/dbraw/zinc/11/61/29/1038116129.db2.gz QULNDKMZTQFVBD-HKUYNNGSSA-N 0 3 324.472 4.139 20 30 DIEDHN Cc1nc2ccccc2n1CCCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602982334 1038116725 /nfs/dbraw/zinc/11/67/25/1038116725.db2.gz QULNDKMZTQFVBD-IEBWSBKVSA-N 0 3 324.472 4.139 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Cc2nccs2)CC1 ZINC000602957271 1038116817 /nfs/dbraw/zinc/11/68/17/1038116817.db2.gz SCOKTPCWPCDXAY-AWEZNQCLSA-N 0 3 311.454 4.030 20 30 DIEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000598613603 1038132562 /nfs/dbraw/zinc/13/25/62/1038132562.db2.gz KNYMHOJJURSHNG-DLBZAZTESA-N 0 3 320.864 4.168 20 30 DIEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000598619141 1038135100 /nfs/dbraw/zinc/13/51/00/1038135100.db2.gz BLLPENVCLDJMFO-IAGOWNOFSA-N 0 3 320.864 4.168 20 30 DIEDHN CC1(c2ccccc2)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598678064 1038150286 /nfs/dbraw/zinc/15/02/86/1038150286.db2.gz VKPNEHKJHKCNCF-UHFFFAOYSA-N 0 3 302.421 4.015 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000599007694 1038212497 /nfs/dbraw/zinc/21/24/97/1038212497.db2.gz TZWZYGJADOPRKT-INIZCTEOSA-N 0 3 302.830 4.440 20 30 DIEDHN CCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341709870 1038238805 /nfs/dbraw/zinc/23/88/05/1038238805.db2.gz MPOGJJMJYQFOJY-LJQANCHMSA-N 0 3 324.399 4.263 20 30 DIEDHN CC1(C#N)CCC(NC2(c3c(F)cccc3F)CCC2)CC1 ZINC000599092438 1038239232 /nfs/dbraw/zinc/23/92/32/1038239232.db2.gz HFBDNTVHFSSXOY-UHFFFAOYSA-N 0 3 304.384 4.406 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(C)c(C#N)c2)cc1OC ZINC000599348364 1038270612 /nfs/dbraw/zinc/27/06/12/1038270612.db2.gz JMHODONEPXCAJX-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610829928 1038373197 /nfs/dbraw/zinc/37/31/97/1038373197.db2.gz SONBJXUUMVFYAN-UONOGXRCSA-N 0 3 309.369 4.187 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000796715625 1038394154 /nfs/dbraw/zinc/39/41/54/1038394154.db2.gz HDEMXKIBNNLIKU-GOSISDBHSA-N 0 3 307.397 4.262 20 30 DIEDHN N#CC(C(=O)c1cc2[nH]ccc2s1)c1ccc2ccccc2n1 ZINC000684629619 1038414417 /nfs/dbraw/zinc/41/44/17/1038414417.db2.gz ACCCTWGAIZAWGV-LBPRGKRZSA-N 0 3 317.373 4.268 20 30 DIEDHN COc1ccc(CN2CCC[C@H]2c2ccccc2C)cc1C#N ZINC000610991999 1038420246 /nfs/dbraw/zinc/42/02/46/1038420246.db2.gz YRUMDZNQZMWLQD-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN CCC(CC)(NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000610993617 1038421088 /nfs/dbraw/zinc/42/10/88/1038421088.db2.gz WQFLMJMIDUETEN-UHFFFAOYSA-N 0 3 313.832 4.412 20 30 DIEDHN Cc1cccc([C@@H]2CCCCCN2Cc2ccnc(C#N)c2)c1 ZINC000610993544 1038423901 /nfs/dbraw/zinc/42/39/01/1038423901.db2.gz XAEFXOSYEDWDIR-FQEVSTJZSA-N 0 3 305.425 4.379 20 30 DIEDHN CCCc1ccc([C@H](NCc2ccnc(C#N)c2)C(C)C)cc1 ZINC000610994241 1038425490 /nfs/dbraw/zinc/42/54/90/1038425490.db2.gz PTKOAFJXQFUDME-HXUWFJFHSA-N 0 3 307.441 4.393 20 30 DIEDHN CSc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768726 1038485818 /nfs/dbraw/zinc/48/58/18/1038485818.db2.gz KPFCPWYPBWWABE-CQSZACIVSA-N 0 3 312.438 4.162 20 30 DIEDHN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000121713066 1038502364 /nfs/dbraw/zinc/50/23/64/1038502364.db2.gz GPMXIADKGZIXPG-INIZCTEOSA-N 0 3 322.408 4.313 20 30 DIEDHN CC(C)(CCC#N)CNCc1csc(-c2cccs2)n1 ZINC000342308938 1038524816 /nfs/dbraw/zinc/52/48/16/1038524816.db2.gz SELHODUDLLRXFB-UHFFFAOYSA-N 0 3 305.472 4.291 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000172112925 1038547908 /nfs/dbraw/zinc/54/79/08/1038547908.db2.gz BIEKBLBMWDALLU-UHFFFAOYSA-N 0 3 305.830 4.093 20 30 DIEDHN Cc1cnc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000277538644 1038630960 /nfs/dbraw/zinc/63/09/60/1038630960.db2.gz RYDZBKADGWJEJQ-AWEZNQCLSA-N 0 3 311.454 4.264 20 30 DIEDHN C=CCC[C@@H](NCc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657412333 1038651058 /nfs/dbraw/zinc/65/10/58/1038651058.db2.gz CMTAARCIRGQTCI-OAHLLOKOSA-N 0 3 323.362 4.236 20 30 DIEDHN CCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127656828 1038663856 /nfs/dbraw/zinc/66/38/56/1038663856.db2.gz FZUXSSAPMGHMMG-MRXNPFEDSA-N 0 3 300.402 4.003 20 30 DIEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC[C@H](C#N)CCC#N ZINC000159104950 1038691902 /nfs/dbraw/zinc/69/19/02/1038691902.db2.gz NNQCTWFIWZZMOD-IHRRRGAJSA-N 0 3 323.362 4.231 20 30 DIEDHN COc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCCS2 ZINC000187753008 1038694406 /nfs/dbraw/zinc/69/44/06/1038694406.db2.gz VGWFOMYFCWYHBI-GOSISDBHSA-N 0 3 324.449 4.284 20 30 DIEDHN N#Cc1csc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000127860394 1038702883 /nfs/dbraw/zinc/70/28/83/1038702883.db2.gz IBLUQMFWFMKPHC-AWEZNQCLSA-N 0 3 323.421 4.141 20 30 DIEDHN N#Cc1csc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000127860177 1038703520 /nfs/dbraw/zinc/70/35/20/1038703520.db2.gz IBLUQMFWFMKPHC-CQSZACIVSA-N 0 3 323.421 4.141 20 30 DIEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000342736490 1038751918 /nfs/dbraw/zinc/75/19/18/1038751918.db2.gz XQTQXVJXSOXMLI-QGZVFWFLSA-N 0 3 324.815 4.100 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC1CCCC1 ZINC000173901850 1038806489 /nfs/dbraw/zinc/80/64/89/1038806489.db2.gz ZBGDUYYPDDCGNW-OAHLLOKOSA-N 0 3 309.413 4.110 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCCCCCC1 ZINC000173900441 1038810094 /nfs/dbraw/zinc/81/00/94/1038810094.db2.gz GQYUHHPYFAFQNM-HNNXBMFYSA-N 0 3 309.413 4.110 20 30 DIEDHN COc1ccc(CNCc2ccc3ccccc3c2)cc1C#N ZINC000174309148 1038927739 /nfs/dbraw/zinc/92/77/39/1038927739.db2.gz XXSPDJICHZRGIN-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCCC[C@H]2Cc2ccccc2)c1 ZINC000608909312 1038937347 /nfs/dbraw/zinc/93/73/47/1038937347.db2.gz JHBKQDBWJIJSPJ-IBGZPJMESA-N 0 3 308.400 4.295 20 30 DIEDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174430310 1038939142 /nfs/dbraw/zinc/93/91/42/1038939142.db2.gz KGNSESCGONGFAV-MRXNPFEDSA-N 0 3 307.441 4.255 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)CC2)c(F)c1 ZINC000608977274 1038948636 /nfs/dbraw/zinc/94/86/36/1038948636.db2.gz ATYVXEOVUXQEDC-SFHVURJKSA-N 0 3 308.400 4.467 20 30 DIEDHN Cc1nc2c(s1)[C@@H](NC1(c3ccc(C#N)cc3)CCC1)CCC2 ZINC000594512207 1039066251 /nfs/dbraw/zinc/06/62/51/1039066251.db2.gz CEJADVBVECJKFC-KRWDZBQOSA-N 0 3 323.465 4.370 20 30 DIEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846576 1039123415 /nfs/dbraw/zinc/12/34/15/1039123415.db2.gz OBXQHKRNHMDBJX-JKSUJKDBSA-N 0 3 323.795 4.403 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000218862204 1039179523 /nfs/dbraw/zinc/17/95/23/1039179523.db2.gz KHQWPYLNSXATNS-IAGOWNOFSA-N 0 3 324.468 4.304 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155109 1039225229 /nfs/dbraw/zinc/22/52/29/1039225229.db2.gz ANGRYFHKXJONGY-FZKQIMNGSA-N 0 3 309.369 4.268 20 30 DIEDHN C=C(C)COCCN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000539507258 1039275205 /nfs/dbraw/zinc/27/52/05/1039275205.db2.gz GQSJERIZWQILKH-CQSZACIVSA-N 0 3 303.402 4.075 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccsc2)cc1OC ZINC000669830920 1039294188 /nfs/dbraw/zinc/29/41/88/1039294188.db2.gz CKORYJCNDUVMMI-ZDUSSCGKSA-N 0 3 303.427 4.172 20 30 DIEDHN CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](C#N)CCC#N ZINC000583688818 1039424385 /nfs/dbraw/zinc/42/43/85/1039424385.db2.gz FQHVMZAUKDUGPG-IUODEOHRSA-N 0 3 324.255 4.348 20 30 DIEDHN CC[C@@H](CSC)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540198167 1039455482 /nfs/dbraw/zinc/45/54/82/1039455482.db2.gz FXYHKSKRVFCNQC-HNNXBMFYSA-N 0 3 315.404 4.130 20 30 DIEDHN Cc1cc([C@H](NCc2ccc(F)c(C#N)c2)C2CC2)ccc1F ZINC000540520054 1039510985 /nfs/dbraw/zinc/51/09/85/1039510985.db2.gz HNWCDKCLNABFBR-LJQANCHMSA-N 0 3 312.363 4.386 20 30 DIEDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000278611031 1039592113 /nfs/dbraw/zinc/59/21/13/1039592113.db2.gz FRAKLZAEYWZELS-GOSISDBHSA-N 0 3 311.404 4.004 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1ccccc1OC(F)F ZINC000491329239 1039772227 /nfs/dbraw/zinc/77/22/27/1039772227.db2.gz LWYVSFDXTKFYND-UHFFFAOYSA-N 0 3 307.340 4.112 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152012583 1039939309 /nfs/dbraw/zinc/93/93/09/1039939309.db2.gz PTYSVRJATUILHS-CABCVRRESA-N 0 3 323.440 4.356 20 30 DIEDHN Cc1cc(CNCc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000443972548 1039983778 /nfs/dbraw/zinc/98/37/78/1039983778.db2.gz WXHBQMJGOGLMGG-UHFFFAOYSA-N 0 3 320.314 4.055 20 30 DIEDHN Cc1cc(CNCc2ccc(-c3ccncc3)cc2)ccc1C#N ZINC000443996670 1040014810 /nfs/dbraw/zinc/01/48/10/1040014810.db2.gz VIYRFGMEBLTGFF-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)s1 ZINC000657928880 1040186065 /nfs/dbraw/zinc/18/60/65/1040186065.db2.gz WBVZFEWLESRNTR-GDBMZVCRSA-N 0 3 313.470 4.430 20 30 DIEDHN N#CC(C(=O)CCCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000892420498 1040249783 /nfs/dbraw/zinc/24/97/83/1040249783.db2.gz SXYQQUQNDRYHDM-INIZCTEOSA-N 0 3 317.392 4.152 20 30 DIEDHN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1ccc2ccccc2n1 ZINC000892427844 1040375875 /nfs/dbraw/zinc/37/58/75/1040375875.db2.gz QZCWFMYMYJVACM-UYTSQGDYSA-N 0 3 322.433 4.085 20 30 DIEDHN Cc1cc(Cl)cc(C)c1CNCc1ccc(OCC#N)cc1 ZINC000179320390 1040388639 /nfs/dbraw/zinc/38/86/39/1040388639.db2.gz LVGJXPSDSPUGQU-UHFFFAOYSA-N 0 3 314.816 4.149 20 30 DIEDHN CC(C)(C#N)CCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000444690492 1040637039 /nfs/dbraw/zinc/63/70/39/1040637039.db2.gz SVZFKHIMHZLVQY-CQSZACIVSA-N 0 3 306.400 4.474 20 30 DIEDHN N#CCC[C@@H](C#N)CNCC1(c2cccc(Cl)c2)CCCC1 ZINC000066483997 1040854294 /nfs/dbraw/zinc/85/42/94/1040854294.db2.gz SDMZRIAGIUCCNG-HNNXBMFYSA-N 0 3 315.848 4.185 20 30 DIEDHN COc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000414101164 1040859650 /nfs/dbraw/zinc/85/96/50/1040859650.db2.gz STERUKVBZIQJSN-HNNXBMFYSA-N 0 3 306.409 4.215 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000582389756 1040918137 /nfs/dbraw/zinc/91/81/37/1040918137.db2.gz BAGOPIJFMHJYNR-NJYVYQBISA-N 0 3 318.420 4.055 20 30 DIEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)CC(F)F ZINC000892552598 1040982546 /nfs/dbraw/zinc/98/25/46/1040982546.db2.gz AHFPGXMRRZVWOZ-SNVBAGLBSA-N 0 3 306.312 4.076 20 30 DIEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)CC(F)(F)F ZINC000892553055 1040985883 /nfs/dbraw/zinc/98/58/83/1040985883.db2.gz ICIXJZQBELMDAO-JTQLQIEISA-N 0 3 324.302 4.373 20 30 DIEDHN C#Cc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000809602829 1041201143 /nfs/dbraw/zinc/20/11/43/1041201143.db2.gz ARPLSLLIYPXJKL-UHFFFAOYSA-N 0 3 315.338 4.466 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1 ZINC000809626105 1041206753 /nfs/dbraw/zinc/20/67/53/1041206753.db2.gz BLJQBFNVOCLMCX-HNNXBMFYSA-N 0 3 323.411 4.447 20 30 DIEDHN C/C=C/COc1ccc(CC[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000613540399 1041234479 /nfs/dbraw/zinc/23/44/79/1041234479.db2.gz UQBCBCWJXVZTHZ-SQRWCISFSA-N 0 3 300.446 4.102 20 30 DIEDHN C=CCOCCN[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000311722663 1041338811 /nfs/dbraw/zinc/33/88/11/1041338811.db2.gz MNLIBDHPLNUHMJ-LLVKDONJSA-N 0 3 324.218 4.049 20 30 DIEDHN COc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613667779 1041419790 /nfs/dbraw/zinc/41/97/90/1041419790.db2.gz REUWRNNBOGUGEX-MOXGXCLJSA-N 0 3 306.409 4.066 20 30 DIEDHN C=CC[C@H](NCc1cc(C)nc2c1CCCC2)c1ccncc1 ZINC000892971826 1041445782 /nfs/dbraw/zinc/44/57/82/1041445782.db2.gz DIIKUQUQXUEXKV-IBGZPJMESA-N 0 3 307.441 4.071 20 30 DIEDHN N#CC(=C([O-])c1cc2c(s1)CCCCCC2)c1ccccn1 ZINC000046706007 1041507744 /nfs/dbraw/zinc/50/77/44/1041507744.db2.gz XUVBMAKORLMEGS-AWEZNQCLSA-N 0 3 310.422 4.292 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCCCCC2)c1ccccn1 ZINC000046706007 1041507748 /nfs/dbraw/zinc/50/77/48/1041507748.db2.gz XUVBMAKORLMEGS-AWEZNQCLSA-N 0 3 310.422 4.292 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000747815393 1041648039 /nfs/dbraw/zinc/64/80/39/1041648039.db2.gz GNNZLOFUPPDOFZ-QRWLVFNGSA-N 0 3 324.399 4.284 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000747815394 1041648204 /nfs/dbraw/zinc/64/82/04/1041648204.db2.gz GNNZLOFUPPDOFZ-YWZLYKJASA-N 0 3 324.399 4.284 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc3ccccc3c2)cc1 ZINC000236693834 1041661689 /nfs/dbraw/zinc/66/16/89/1041661689.db2.gz JIGSNVIKPGXWRN-UHFFFAOYSA-N 0 3 301.389 4.142 20 30 DIEDHN C#CCOc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000236694044 1041663013 /nfs/dbraw/zinc/66/30/13/1041663013.db2.gz BEERQKQLVBZBBF-GOSISDBHSA-N 0 3 309.434 4.025 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373700 1041666458 /nfs/dbraw/zinc/66/64/58/1041666458.db2.gz XPGCCWQNJPZTBV-QRWLVFNGSA-N 0 3 319.452 4.352 20 30 DIEDHN N#CC1(c2ccccn2)CCN(CCCC2CCCCC2)CC1 ZINC000584866286 1041695316 /nfs/dbraw/zinc/69/53/16/1041695316.db2.gz QHMIDOIWJSRYNY-UHFFFAOYSA-N 0 3 311.473 4.299 20 30 DIEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000216700791 1041745059 /nfs/dbraw/zinc/74/50/59/1041745059.db2.gz NIPCKTNKTDJHPQ-CQSZACIVSA-N 0 3 306.365 4.034 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2ccsc2)no1 ZINC000661119711 1041889774 /nfs/dbraw/zinc/88/97/74/1041889774.db2.gz WKOZHTXPZIQTRP-TZMCWYRMSA-N 0 3 303.431 4.023 20 30 DIEDHN C=CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378535 1041929466 /nfs/dbraw/zinc/92/94/66/1041929466.db2.gz IGMXRVDSMVNOQU-JKSUJKDBSA-N 0 3 311.429 4.394 20 30 DIEDHN CSCc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594938266 1041943878 /nfs/dbraw/zinc/94/38/78/1041943878.db2.gz LLBBNAAWUJMZJY-UHFFFAOYSA-N 0 3 322.477 4.395 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(C)(F)F ZINC000815912422 1042000596 /nfs/dbraw/zinc/00/05/96/1042000596.db2.gz LQYKQUNEWNWZNI-PWSUYJOCSA-N 0 3 320.364 4.278 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cncc(C)c2)cc1 ZINC000181830248 1042049796 /nfs/dbraw/zinc/04/97/96/1042049796.db2.gz IHJDXGMCRZAUOZ-HNNXBMFYSA-N 0 3 316.832 4.372 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cncc(C)c2)cc1 ZINC000181830266 1042050441 /nfs/dbraw/zinc/05/04/41/1042050441.db2.gz IHJDXGMCRZAUOZ-OAHLLOKOSA-N 0 3 316.832 4.372 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000662084168 1042059629 /nfs/dbraw/zinc/05/96/29/1042059629.db2.gz NOYDOIRRIWYIRI-OAGGEKHMSA-N 0 3 309.413 4.289 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614180037 1042422317 /nfs/dbraw/zinc/42/23/17/1042422317.db2.gz UCWWHGYJZCPFIL-OAHLLOKOSA-N 0 3 308.425 4.347 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)OCO2 ZINC000614179217 1042422540 /nfs/dbraw/zinc/42/25/40/1042422540.db2.gz JSYYEIPIVUESNA-CQSZACIVSA-N 0 3 322.408 4.067 20 30 DIEDHN CCOc1cccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236979569 1042442538 /nfs/dbraw/zinc/44/25/38/1042442538.db2.gz YHUHODZJULYTAP-HOTGVXAUSA-N 0 3 324.424 4.227 20 30 DIEDHN CCOc1cccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236979599 1042442605 /nfs/dbraw/zinc/44/26/05/1042442605.db2.gz YHUHODZJULYTAP-CVEARBPZSA-N 0 3 324.424 4.227 20 30 DIEDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C#N)c1 ZINC000015571672 1042579668 /nfs/dbraw/zinc/57/96/68/1042579668.db2.gz PXBGLBYJLFWKSO-UHFFFAOYSA-N 0 3 319.452 4.181 20 30 DIEDHN Cc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618803480 1042600102 /nfs/dbraw/zinc/60/01/02/1042600102.db2.gz IOCSOBNSHYATHF-UGSOOPFHSA-N 0 3 321.380 4.113 20 30 DIEDHN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000319677231 1042626485 /nfs/dbraw/zinc/62/64/85/1042626485.db2.gz ABSLKZGAXSDQLZ-LSDHHAIUSA-N 0 3 310.397 4.009 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000516918710 1042859781 /nfs/dbraw/zinc/85/97/81/1042859781.db2.gz XJQZPLTWDUOAJO-AWEZNQCLSA-N 0 3 308.347 4.199 20 30 DIEDHN C=CCC[C@@H](NCc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000638785515 1042983852 /nfs/dbraw/zinc/98/38/52/1042983852.db2.gz WPXDJCNUPLAPDX-MRXNPFEDSA-N 0 3 318.367 4.041 20 30 DIEDHN Cc1c(CN(Cc2ccc(C#N)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000519908291 1043007970 /nfs/dbraw/zinc/00/79/70/1043007970.db2.gz QWSOAFRBJZIZAQ-UHFFFAOYSA-N 0 3 323.396 4.186 20 30 DIEDHN C[C@H](NCc1ccccc1N1CCCCC1)c1cccc(C#N)c1 ZINC000174429560 1043066183 /nfs/dbraw/zinc/06/61/83/1043066183.db2.gz CCYKOBNWRRTRCM-KRWDZBQOSA-N 0 3 319.452 4.399 20 30 DIEDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177277 1043123726 /nfs/dbraw/zinc/12/37/26/1043123726.db2.gz MRASMZHKPSNVKF-KBPBESRZSA-N 0 3 309.369 4.187 20 30 DIEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619472 1043238029 /nfs/dbraw/zinc/23/80/29/1043238029.db2.gz GKHWOKZQXFBVEU-YVEFUNNKSA-N 0 3 303.365 4.038 20 30 DIEDHN C#CC[C@H]([NH2+]Cc1ccc(OCCC)cc1[O-])c1ccccc1 ZINC000270203740 1043380039 /nfs/dbraw/zinc/38/00/39/1043380039.db2.gz MRQMGGZIKBSTEP-IBGZPJMESA-N 0 3 309.409 4.035 20 30 DIEDHN C#CCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000271022643 1043398924 /nfs/dbraw/zinc/39/89/24/1043398924.db2.gz OKEXSOXDUFCODA-UHFFFAOYSA-N 0 3 317.820 4.014 20 30 DIEDHN Cc1cccc(Oc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccn2)c1C ZINC000442779333 1043417382 /nfs/dbraw/zinc/41/73/82/1043417382.db2.gz MAFVGHPESQZGMX-SJLPKXTDSA-N 0 3 321.424 4.273 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453136 1043421565 /nfs/dbraw/zinc/42/15/65/1043421565.db2.gz GKEHJCOMHOHMLB-QFBILLFUSA-N 0 3 323.436 4.427 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634926 1043439973 /nfs/dbraw/zinc/43/99/73/1043439973.db2.gz MZEINKTWALMQRB-OXJNMPFZSA-N 0 3 307.437 4.329 20 30 DIEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](c1ccccc1C)C(C)C ZINC000522131523 1043545994 /nfs/dbraw/zinc/54/59/94/1043545994.db2.gz IPVKQWDZOUTNPT-FQEVSTJZSA-N 0 3 316.489 4.049 20 30 DIEDHN C[C@H]1c2ccccc2CCN1Cc1cccc(OCCCC#N)c1 ZINC000353393984 1043605097 /nfs/dbraw/zinc/60/50/97/1043605097.db2.gz LALBTGZGABGGKF-KRWDZBQOSA-N 0 3 320.436 4.488 20 30 DIEDHN COCCN(Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487433578 1043607188 /nfs/dbraw/zinc/60/71/88/1043607188.db2.gz TUNOAOOERIVJBC-UHFFFAOYSA-N 0 3 322.452 4.136 20 30 DIEDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1C#N ZINC000926966224 1043664759 /nfs/dbraw/zinc/66/47/59/1043664759.db2.gz IMHORXPIBJLSPA-MLGOLLRUSA-N 0 3 310.372 4.050 20 30 DIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC1CCCC1 ZINC000876599393 1043701265 /nfs/dbraw/zinc/70/12/65/1043701265.db2.gz ZQXXULCLLYHFBB-ZDUSSCGKSA-N 0 3 324.877 4.130 20 30 DIEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000876931150 1043726146 /nfs/dbraw/zinc/72/61/46/1043726146.db2.gz JTZQQCDWURNEEO-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN N#Cc1ccc(C2=CCN(Cc3ccc(CF)cc3)CC2)cc1 ZINC000777716839 1043779915 /nfs/dbraw/zinc/77/99/15/1043779915.db2.gz NXSKOSUVRDKYES-UHFFFAOYSA-N 0 3 306.384 4.317 20 30 DIEDHN C#CCCCCCCN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000877634291 1043784022 /nfs/dbraw/zinc/78/40/22/1043784022.db2.gz LZICPFWDXOVTDH-SFHVURJKSA-N 0 3 301.430 4.017 20 30 DIEDHN C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877813393 1043801006 /nfs/dbraw/zinc/80/10/06/1043801006.db2.gz YNYAGKKWLAKWNN-OAHLLOKOSA-N 0 3 308.347 4.016 20 30 DIEDHN C=CCOc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1OC ZINC000356287528 1043830954 /nfs/dbraw/zinc/83/09/54/1043830954.db2.gz UNJILFLNWVKGBG-IBGZPJMESA-N 0 3 313.441 4.025 20 30 DIEDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000323476419 1043841939 /nfs/dbraw/zinc/84/19/39/1043841939.db2.gz YYJJVKQAYUHFJB-OAHLLOKOSA-N 0 3 303.409 4.209 20 30 DIEDHN Cc1nc2c(s1)[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782047 1043875952 /nfs/dbraw/zinc/87/59/52/1043875952.db2.gz KHSVMHHVININDX-FUHWJXTLSA-N 0 3 323.465 4.368 20 30 DIEDHN CC(C)C[C@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930226222 1043898903 /nfs/dbraw/zinc/89/89/03/1043898903.db2.gz KGMRFAHHAAVWDJ-SFHVURJKSA-N 0 3 313.832 4.484 20 30 DIEDHN C=CCCN(Cc1[nH]nc2c1cccc2C)Cc1ccccc1 ZINC001137148162 1044001382 /nfs/dbraw/zinc/00/13/82/1044001382.db2.gz UKHIXLKXUJKOCL-UHFFFAOYSA-N 0 3 305.425 4.450 20 30 DIEDHN C=C(C)COCCN[C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358262066 1044043012 /nfs/dbraw/zinc/04/30/12/1044043012.db2.gz CXTAXCYNZMWBFT-INIZCTEOSA-N 0 3 309.837 4.044 20 30 DIEDHN N#CC1(CCN[C@H](Cn2ccnc2)c2ccccc2)CCCCC1 ZINC000880570775 1044047945 /nfs/dbraw/zinc/04/79/45/1044047945.db2.gz YSGWIAIZIHSQIV-LJQANCHMSA-N 0 3 322.456 4.078 20 30 DIEDHN CC1(C)CCc2ccccc2[C@H](NCc2ccc(C#N)cn2)C1 ZINC000562035509 1044052756 /nfs/dbraw/zinc/05/27/56/1044052756.db2.gz ATXIAGNPZKJSEL-LJQANCHMSA-N 0 3 305.425 4.147 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146922 1044096408 /nfs/dbraw/zinc/09/64/08/1044096408.db2.gz ARZUNVDXOIJIAP-MOPGFXCFSA-N 0 3 309.384 4.176 20 30 DIEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000281394380 1044128070 /nfs/dbraw/zinc/12/80/70/1044128070.db2.gz YHIXHYLBWWWLCX-SGTLLEGYSA-N 0 3 310.372 4.044 20 30 DIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccccc2)ccc1OC ZINC000129504897 1044159580 /nfs/dbraw/zinc/15/95/80/1044159580.db2.gz WBNLWDVNGGUDSB-QAPCUYQASA-N 0 3 324.424 4.227 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934560546 1044258658 /nfs/dbraw/zinc/25/86/58/1044258658.db2.gz LHSRMAJINWTSED-INIZCTEOSA-N 0 3 322.456 4.023 20 30 DIEDHN N#CCCCOc1cccc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000896946386 1044268789 /nfs/dbraw/zinc/26/87/89/1044268789.db2.gz IVOAKCXEPTWBTJ-UHFFFAOYSA-N 0 3 316.420 4.083 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000360655206 1044296173 /nfs/dbraw/zinc/29/61/73/1044296173.db2.gz CCFDKHXQNREWSB-LJQANCHMSA-N 0 3 321.380 4.024 20 30 DIEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000361510773 1044412415 /nfs/dbraw/zinc/41/24/15/1044412415.db2.gz LEUUOGXZADIJSI-GFCCVEGCSA-N 0 3 321.346 4.109 20 30 DIEDHN N#CC(C(=O)c1ccc(C(F)F)cc1)c1cnc2ccccc2n1 ZINC000361541045 1044415997 /nfs/dbraw/zinc/41/59/97/1044415997.db2.gz LKUPCLBYQWDLRC-CYBMUJFWSA-N 0 3 323.302 4.057 20 30 DIEDHN N#CC(C(=O)c1ccc(C(F)F)cc1)c1cnc2ccccc2n1 ZINC000361541046 1044416203 /nfs/dbraw/zinc/41/62/03/1044416203.db2.gz LKUPCLBYQWDLRC-ZDUSSCGKSA-N 0 3 323.302 4.057 20 30 DIEDHN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000237479356 1044435501 /nfs/dbraw/zinc/43/55/01/1044435501.db2.gz YDYQXLHUPADLFW-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1cc(C#N)ccc1F ZINC000609915681 1044479517 /nfs/dbraw/zinc/47/95/17/1044479517.db2.gz KDWRNBPAQDRIFE-ZDUSSCGKSA-N 0 3 316.807 4.414 20 30 DIEDHN N#CC(C(=O)c1cc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000041496218 1044494393 /nfs/dbraw/zinc/49/43/93/1044494393.db2.gz JYBKXMQHEIHNKS-GFCCVEGCSA-N 0 3 317.373 4.268 20 30 DIEDHN Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000041542359 1044500789 /nfs/dbraw/zinc/50/07/89/1044500789.db2.gz QHJJHUIWEUUBCJ-MRXNPFEDSA-N 0 3 318.376 4.254 20 30 DIEDHN Cc1cc(C(=O)C(C#N)c2ccc3ccccc3n2)cc(Cl)n1 ZINC000778599150 1044578866 /nfs/dbraw/zinc/57/88/66/1044578866.db2.gz OGXXZDDDUJSPIL-AWEZNQCLSA-N 0 3 321.767 4.082 20 30 DIEDHN CSc1ccc(CNCc2csc(C)c2C)cc1C#N ZINC000886277121 1044628325 /nfs/dbraw/zinc/62/83/25/1044628325.db2.gz HROSNQNZALGRGT-UHFFFAOYSA-N 0 3 302.468 4.248 20 30 DIEDHN C=CCC[C@@H](N[C@@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553123 1044658394 /nfs/dbraw/zinc/65/83/94/1044658394.db2.gz DSSNISPHAKXNKQ-HNAYVOBHSA-N 0 3 324.424 4.226 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(SC)c(C#N)c2)cc1 ZINC000886686455 1044679752 /nfs/dbraw/zinc/67/97/52/1044679752.db2.gz QLYUCYPOYTWBGC-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN CSc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1C#N ZINC000886690540 1044680659 /nfs/dbraw/zinc/68/06/59/1044680659.db2.gz XQQPGZXDYNNEDK-LJQANCHMSA-N 0 3 323.465 4.306 20 30 DIEDHN CSc1ccc(CN[C@H](C)c2ccc(C)nc2C)cc1C#N ZINC000886688446 1044680699 /nfs/dbraw/zinc/68/06/99/1044680699.db2.gz RTRCFJFOWDCGND-CYBMUJFWSA-N 0 3 311.454 4.143 20 30 DIEDHN CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccc1[O-] ZINC000886689528 1044681450 /nfs/dbraw/zinc/68/14/50/1044681450.db2.gz BUQYTSLXLJQWOU-INIZCTEOSA-N 0 3 312.438 4.227 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1C#N ZINC000886690434 1044681828 /nfs/dbraw/zinc/68/18/28/1044681828.db2.gz WGDVOTULHHDBKB-QGZVFWFLSA-N 0 3 324.449 4.153 20 30 DIEDHN CSc1ccc(CN[C@H](C)c2sc(C)nc2C)cc1C#N ZINC000886688449 1044681941 /nfs/dbraw/zinc/68/19/41/1044681941.db2.gz RUGHCRJBESZYSZ-SNVBAGLBSA-N 0 3 317.483 4.204 20 30 DIEDHN C[C@@H](CC(=O)Nc1ccccc1)N[C@@H](CCC#N)c1ccccc1 ZINC000123327560 1044783750 /nfs/dbraw/zinc/78/37/50/1044783750.db2.gz PQKUFDYKLQRHBD-LPHOPBHVSA-N 0 3 321.424 4.038 20 30 DIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000156582507 1044812949 /nfs/dbraw/zinc/81/29/49/1044812949.db2.gz GKSUDTIRYCSECH-GXTWGEPZSA-N 0 3 316.451 4.128 20 30 DIEDHN C=C(C)CN(CC[C@@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000572921480 1044885415 /nfs/dbraw/zinc/88/54/15/1044885415.db2.gz MXENHCLPOVHRIB-QGZVFWFLSA-N 0 3 313.441 4.344 20 30 DIEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000264557945 1044894603 /nfs/dbraw/zinc/89/46/03/1044894603.db2.gz NNTHMQHOXONECP-ZDUSSCGKSA-N 0 3 316.351 4.060 20 30 DIEDHN Cc1ccccc1C1(CNC[C@H](C#N)CCC#N)CCCCC1 ZINC000573829360 1044924977 /nfs/dbraw/zinc/92/49/77/1044924977.db2.gz IHBYMBBTCMMAGI-SFHVURJKSA-N 0 3 309.457 4.230 20 30 DIEDHN CC(C)(C#N)CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000157764027 1044943302 /nfs/dbraw/zinc/94/33/02/1044943302.db2.gz UNPNGJQBZZOGBX-UHFFFAOYSA-N 0 3 318.848 4.175 20 30 DIEDHN C=CCCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000574485688 1044955869 /nfs/dbraw/zinc/95/58/69/1044955869.db2.gz AMLPMGMWVSUILU-HNNXBMFYSA-N 0 3 313.445 4.292 20 30 DIEDHN C=CCC[C@H](NCc1ccccc1-n1ccnc1)c1ccco1 ZINC000373700357 1045003205 /nfs/dbraw/zinc/00/32/05/1045003205.db2.gz MJDVDYJJKBCEGN-KRWDZBQOSA-N 0 3 307.397 4.262 20 30 DIEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399413 1045006968 /nfs/dbraw/zinc/00/69/68/1045006968.db2.gz LGWXNCPJRQLBBE-GHMZBOCLSA-N 0 3 317.380 4.034 20 30 DIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000411775868 1045030417 /nfs/dbraw/zinc/03/04/17/1045030417.db2.gz YYYUJMIYJDEVIA-AWEZNQCLSA-N 0 3 301.390 4.110 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000576077685 1045032473 /nfs/dbraw/zinc/03/24/73/1045032473.db2.gz ZGZASTPBOVMWHX-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1ccc([C@H](CCC#N)NCCOc2cccc(C)c2)cc1 ZINC000576594463 1045065165 /nfs/dbraw/zinc/06/51/65/1045065165.db2.gz ZWDHGWPWCDOKBC-FQEVSTJZSA-N 0 3 324.424 4.017 20 30 DIEDHN C=CCCc1ccccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412323627 1045076106 /nfs/dbraw/zinc/07/61/06/1045076106.db2.gz XFDQYNHFJBDGSC-XHSDSOJGSA-N 0 3 300.446 4.005 20 30 DIEDHN N#Cc1cc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000468265675 1045136295 /nfs/dbraw/zinc/13/62/95/1045136295.db2.gz GPFYUQKBWWCUCO-OAHLLOKOSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C(F)F)nc1 ZINC000601127252 1045189694 /nfs/dbraw/zinc/18/96/94/1045189694.db2.gz CZBSWJWUIFRSMR-MRXNPFEDSA-N 0 3 313.351 4.058 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305034 1045214063 /nfs/dbraw/zinc/21/40/63/1045214063.db2.gz RAGDMGHQPZGCGY-MLGOLLRUSA-N 0 3 321.380 4.207 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073090 1045221749 /nfs/dbraw/zinc/22/17/49/1045221749.db2.gz AAEXLBYCCQDMRI-KXBFYZLASA-N 0 3 310.441 4.277 20 30 DIEDHN C=CCC[C@H](NC[C@@H](c1ccsc1)N(C)C)c1ccco1 ZINC000579017738 1045288877 /nfs/dbraw/zinc/28/88/77/1045288877.db2.gz NQVCDEHTRRAWEB-HOTGVXAUSA-N 0 3 304.459 4.241 20 30 DIEDHN Cc1cc(CN[C@H]2CCCc3c(F)cc(F)cc32)ccc1C#N ZINC000449347389 1045378736 /nfs/dbraw/zinc/37/87/36/1045378736.db2.gz CFYCENHKPZOJNK-IBGZPJMESA-N 0 3 312.363 4.312 20 30 DIEDHN C=CCc1cc(CN[C@@H](C)c2cccc(C)c2)cc(OC)c1O ZINC000449770731 1045435236 /nfs/dbraw/zinc/43/52/36/1045435236.db2.gz DULFYPYMKCKBNU-HNNXBMFYSA-N 0 3 311.425 4.289 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905227 1045573882 /nfs/dbraw/zinc/57/38/82/1045573882.db2.gz SQWLIIIFYHNIEO-CXAGYDPISA-N 0 3 312.413 4.038 20 30 DIEDHN C=CC[C@H]1N(Cc2ccn(CC(F)(F)F)n2)CCCC1(C)C ZINC000450863117 1045581056 /nfs/dbraw/zinc/58/10/56/1045581056.db2.gz GJECVFHKGVHFRY-CQSZACIVSA-N 0 3 315.383 4.012 20 30 DIEDHN CC(C)CC(CC(C)C)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123477206 1045584154 /nfs/dbraw/zinc/58/41/54/1045584154.db2.gz SCPGHTXDVJHHTF-CQSZACIVSA-N 0 3 308.372 4.244 20 30 DIEDHN N#CC(C(=O)[C@H]1CCCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000800383955 1045613084 /nfs/dbraw/zinc/61/30/84/1045613084.db2.gz JYACFKNWWCAPDF-UONOGXRCSA-N 0 3 314.335 4.237 20 30 DIEDHN C#CCCOc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190963059 1045635679 /nfs/dbraw/zinc/63/56/79/1045635679.db2.gz LUMZLIOSHRZNRK-LAUBAEHRSA-N 0 3 320.436 4.067 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000629202207 1045654416 /nfs/dbraw/zinc/65/44/16/1045654416.db2.gz SVHZVJOGLRFSQO-DLBZAZTESA-N 0 3 322.452 4.080 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000191683418 1045747005 /nfs/dbraw/zinc/74/70/05/1045747005.db2.gz LDCQFRWAEJCSCY-OAHLLOKOSA-N 0 3 306.409 4.145 20 30 DIEDHN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC000192100992 1045779978 /nfs/dbraw/zinc/77/99/78/1045779978.db2.gz MXFQFPJUBARJAO-IBGZPJMESA-N 0 3 312.363 4.467 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000192150578 1045786124 /nfs/dbraw/zinc/78/61/24/1045786124.db2.gz TZTCPRBBWKNHAB-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN C[C@H](C#N)OCCN(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000801916402 1045837940 /nfs/dbraw/zinc/83/79/40/1045837940.db2.gz XJMSLIONZXVETH-CVEARBPZSA-N 0 3 314.454 4.240 20 30 DIEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000801938149 1045853057 /nfs/dbraw/zinc/85/30/57/1045853057.db2.gz ZEQABXDWUDHEKX-HOTGVXAUSA-N 0 3 310.397 4.058 20 30 DIEDHN CC(C)N(Cc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000531757253 1045918410 /nfs/dbraw/zinc/91/84/10/1045918410.db2.gz KADVZDNGCVJETF-UHFFFAOYSA-N 0 3 307.441 4.293 20 30 DIEDHN CCCCCCCCC[C@@H](C)OCCCN1CCN(C)CC1 ZINC001206596691 1045940651 /nfs/dbraw/zinc/94/06/51/1045940651.db2.gz QBAUHXKZFWBEAQ-LJQANCHMSA-N 0 3 312.542 4.170 20 30 DIEDHN COc1ccc(CN2CCC[C@H](c3ccccc3)CC2)c(C#N)c1 ZINC001137704921 1045940701 /nfs/dbraw/zinc/94/07/01/1045940701.db2.gz ZNNLAWZNRVWUAV-SFHVURJKSA-N 0 3 320.436 4.337 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453236457 1045998962 /nfs/dbraw/zinc/99/89/62/1045998962.db2.gz NSVIEHSGOHHYSG-WOJBJXKFSA-N 0 3 324.374 4.491 20 30 DIEDHN CN(c1ccc(C#N)cc1)c1ccc(CN2CC(C)(C)C2)cc1 ZINC001137898113 1046004044 /nfs/dbraw/zinc/00/40/44/1046004044.db2.gz FPOCLIOVOBRHKD-UHFFFAOYSA-N 0 3 305.425 4.168 20 30 DIEDHN COc1ccc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)cc1C#N ZINC000080339734 1046025717 /nfs/dbraw/zinc/02/57/17/1046025717.db2.gz CPIJDKQBFFQBHV-ZUOKHONESA-N 0 3 324.399 4.119 20 30 DIEDHN CCCCS[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080456855 1046050619 /nfs/dbraw/zinc/05/06/19/1046050619.db2.gz KBEZWWILNSOIEY-NWDGAFQWSA-N 0 3 310.488 4.365 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735634 1046054285 /nfs/dbraw/zinc/05/42/85/1046054285.db2.gz GZOLQGWGVNTLEH-CXAGYDPISA-N 0 3 308.381 4.089 20 30 DIEDHN COC(=O)c1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826556 1046080698 /nfs/dbraw/zinc/08/06/98/1046080698.db2.gz FNOIJSGBZHJUML-CABCVRRESA-N 0 3 322.408 4.065 20 30 DIEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(Br)cc1 ZINC001256213935 1046107646 /nfs/dbraw/zinc/10/76/46/1046107646.db2.gz DVJJZHSPFGHYIV-WFASDCNBSA-N 0 3 309.251 4.052 20 30 DIEDHN CCSc1cc(CN[C@@H](CC)c2cccc(C#N)c2)ccn1 ZINC000902964874 1046130176 /nfs/dbraw/zinc/13/01/76/1046130176.db2.gz ZVRFGBDJRKXHJM-KRWDZBQOSA-N 0 3 311.454 4.306 20 30 DIEDHN C=CCN(CC=C)Cc1c[nH]c2ccc(Br)cc12 ZINC001138320120 1046151616 /nfs/dbraw/zinc/15/16/16/1046151616.db2.gz RCCVJSWUEXYPPL-UHFFFAOYSA-N 0 3 305.219 4.104 20 30 DIEDHN CC1(C#N)CCN(Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336768 1046153586 /nfs/dbraw/zinc/15/35/86/1046153586.db2.gz YRLDAZUYQXXTPV-UHFFFAOYSA-N 0 3 314.432 4.212 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077528 1046156134 /nfs/dbraw/zinc/15/61/34/1046156134.db2.gz KYPJZMVSLNXFDR-MLGOLLRUSA-N 0 3 321.380 4.207 20 30 DIEDHN CC(=O)OCc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000903078515 1046157564 /nfs/dbraw/zinc/15/75/64/1046157564.db2.gz ICFXXWWFVXBLII-GJZGRUSLSA-N 0 3 322.408 4.033 20 30 DIEDHN C#CC[C@H](NCc1ccc(OCCC)c(OC)c1)c1ccccc1 ZINC000756995537 1046157683 /nfs/dbraw/zinc/15/76/83/1046157683.db2.gz IRERTCISOPBGIX-IBGZPJMESA-N 0 3 323.436 4.338 20 30 DIEDHN C#CC[C@@H](NCc1cccc(OC(F)F)c1)c1ccccc1 ZINC000756997786 1046158343 /nfs/dbraw/zinc/15/83/43/1046158343.db2.gz NEXUNSXJBYJQML-QGZVFWFLSA-N 0 3 301.336 4.142 20 30 DIEDHN C#CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000756997855 1046159584 /nfs/dbraw/zinc/15/95/84/1046159584.db2.gz OSPLBVGWOKUESH-OAQYLSRUSA-N 0 3 306.453 4.387 20 30 DIEDHN CC[C@@H](NCc1ccc(SC)c(C#N)c1)c1cccc(C#N)c1 ZINC000903095976 1046163857 /nfs/dbraw/zinc/16/38/57/1046163857.db2.gz ZNELLTMLVKNEAL-GOSISDBHSA-N 0 3 321.449 4.393 20 30 DIEDHN CCCCCCCN(C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138457248 1046188791 /nfs/dbraw/zinc/18/87/91/1046188791.db2.gz OKJHVXPMURLUQO-UHFFFAOYSA-N 0 3 319.493 4.468 20 30 DIEDHN C#CCOc1ccccc1CNCc1ccc(C)c2ccccc12 ZINC001202833775 1046199922 /nfs/dbraw/zinc/19/99/22/1046199922.db2.gz RVSUSSDCTJSAMG-UHFFFAOYSA-N 0 3 315.416 4.450 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000903235256 1046202294 /nfs/dbraw/zinc/20/22/94/1046202294.db2.gz WNFRDYWUBXYRPA-ZIAGYGMSSA-N 0 3 312.388 4.426 20 30 DIEDHN C=CCN(Cc1c(C)nn(Cc2ccccc2)c1C)C(C)(C)C ZINC001138507711 1046204530 /nfs/dbraw/zinc/20/45/30/1046204530.db2.gz JAVREJOUNOFRNR-UHFFFAOYSA-N 0 3 311.473 4.335 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)cc1C#N ZINC000087822491 1046210581 /nfs/dbraw/zinc/21/05/81/1046210581.db2.gz HZSKHZHWJGKSEX-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN CC[C@@]1(C)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168163501 1046219308 /nfs/dbraw/zinc/21/93/08/1046219308.db2.gz NQOAFNHTUGMFTE-INIZCTEOSA-N 0 3 311.347 4.059 20 30 DIEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC001307507035 1046224872 /nfs/dbraw/zinc/22/48/72/1046224872.db2.gz RDFRXDCUIOWHDA-HNNXBMFYSA-N 0 3 321.262 4.331 20 30 DIEDHN C=CCN(Cc1cncn1Cc1ccccc1)C1CCCCC1 ZINC001138565564 1046227939 /nfs/dbraw/zinc/22/79/39/1046227939.db2.gz RJTURJRRCQTCJA-UHFFFAOYSA-N 0 3 309.457 4.252 20 30 DIEDHN C=CCc1cccc(C[NH+]2CCC(Oc3ccccc3)CC2)c1[O-] ZINC001138624278 1046245957 /nfs/dbraw/zinc/24/59/57/1046245957.db2.gz ATSBNZXJFDVNKF-UHFFFAOYSA-N 0 3 323.436 4.164 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1[O-] ZINC001138625180 1046246305 /nfs/dbraw/zinc/24/63/05/1046246305.db2.gz GCYJOVHIOVSEDA-QGZVFWFLSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1[O-] ZINC001138625180 1046246313 /nfs/dbraw/zinc/24/63/13/1046246313.db2.gz GCYJOVHIOVSEDA-QGZVFWFLSA-N 0 3 323.436 4.119 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000245714011 1046261822 /nfs/dbraw/zinc/26/18/22/1046261822.db2.gz GNNRQJIUXNJJEI-YRNRMSPPSA-N 0 3 306.409 4.170 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1 ZINC000245803185 1046270842 /nfs/dbraw/zinc/27/08/42/1046270842.db2.gz YCWQFSZKCALWQU-CVEARBPZSA-N 0 3 306.409 4.097 20 30 DIEDHN COc1ccc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)cc1C#N ZINC000758639964 1046283424 /nfs/dbraw/zinc/28/34/24/1046283424.db2.gz MIIARKVBQVNOMQ-HXUWFJFHSA-N 0 3 324.399 4.255 20 30 DIEDHN C=CCN(Cc1cnc(N(CC)CC)s1)C1CCCCC1 ZINC001138803539 1046297308 /nfs/dbraw/zinc/29/73/08/1046297308.db2.gz SMQPGQZNZAJZRC-UHFFFAOYSA-N 0 3 307.507 4.310 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001138866959 1046316224 /nfs/dbraw/zinc/31/62/24/1046316224.db2.gz ZWYGCNCGMBAHCI-UHFFFAOYSA-N 0 3 303.409 4.208 20 30 DIEDHN C=CCOc1ccccc1CN1CCC2(CC[C@H](F)C2)CC1 ZINC001139030414 1046363771 /nfs/dbraw/zinc/36/37/71/1046363771.db2.gz MOUWWXLVMYWQAH-KRWDZBQOSA-N 0 3 303.421 4.356 20 30 DIEDHN C[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CC1(F)F ZINC000639181000 1046366262 /nfs/dbraw/zinc/36/62/62/1046366262.db2.gz LZFQXTFGAFAJIM-HZGVNTEJSA-N 0 3 315.232 4.117 20 30 DIEDHN COc1ccc(-c2ccccc2)cc1CN1CCC[C@@H](C#N)CC1 ZINC001139070638 1046380379 /nfs/dbraw/zinc/38/03/79/1046380379.db2.gz PWPKDCOPZZQTEO-QGZVFWFLSA-N 0 3 320.436 4.488 20 30 DIEDHN CCn1ccc2ccc(CN(C)Cc3cccc(C#N)c3)cc21 ZINC001139120601 1046390156 /nfs/dbraw/zinc/39/01/56/1046390156.db2.gz XASNRENOTPBPLZ-UHFFFAOYSA-N 0 3 303.409 4.165 20 30 DIEDHN N#CCC1CN(Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001139198188 1046409105 /nfs/dbraw/zinc/40/91/05/1046409105.db2.gz JOPJFEONUIKTGO-UHFFFAOYSA-N 0 3 301.393 4.180 20 30 DIEDHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000246893462 1046436462 /nfs/dbraw/zinc/43/64/62/1046436462.db2.gz CDFPIKJIBHJXAQ-XHSDSOJGSA-N 0 3 316.360 4.116 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)cc1F ZINC001139527239 1046463127 /nfs/dbraw/zinc/46/31/27/1046463127.db2.gz BVPRYCBKCMGCDH-KRWDZBQOSA-N 0 3 308.400 4.152 20 30 DIEDHN C=CCOc1cccc(CN2CCC(OC3CCCC3)CC2)c1 ZINC000127098711 1046480055 /nfs/dbraw/zinc/48/00/55/1046480055.db2.gz SJBDULMIGZJFLH-UHFFFAOYSA-N 0 3 315.457 4.175 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895542 1046484563 /nfs/dbraw/zinc/48/45/63/1046484563.db2.gz BTKZBELZZAETRA-IFXJQAMLSA-N 0 3 309.413 4.008 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1C(C)C ZINC001139618035 1046486622 /nfs/dbraw/zinc/48/66/22/1046486622.db2.gz IRWZMXRFCUHENG-UHFFFAOYSA-N 0 3 308.425 4.322 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000127847611 1046487422 /nfs/dbraw/zinc/48/74/22/1046487422.db2.gz FZRRYHPLBHKLME-CYBMUJFWSA-N 0 3 323.421 4.141 20 30 DIEDHN CCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1CC ZINC001139625258 1046490166 /nfs/dbraw/zinc/49/01/66/1046490166.db2.gz DOBDZXOKQLDXKN-UHFFFAOYSA-N 0 3 308.425 4.151 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC3(CCc4ccccc43)CC2)c1 ZINC001139645933 1046495460 /nfs/dbraw/zinc/49/54/60/1046495460.db2.gz FONDITVGSQAELZ-UHFFFAOYSA-N 0 3 320.411 4.177 20 30 DIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC001139726379 1046505564 /nfs/dbraw/zinc/50/55/64/1046505564.db2.gz LEAKNKZFNUKHOC-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN C=CCn1cc(CN(C)[C@H](C)c2cccc3ccccc32)cn1 ZINC001139771238 1046516010 /nfs/dbraw/zinc/51/60/10/1046516010.db2.gz UIXFKGWMBSZHLQ-MRXNPFEDSA-N 0 3 305.425 4.415 20 30 DIEDHN C#CC[C@H](NCc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000782532459 1046534138 /nfs/dbraw/zinc/53/41/38/1046534138.db2.gz JJVAFABSXLVLOG-FQEVSTJZSA-N 0 3 300.405 4.397 20 30 DIEDHN N#Cc1cccc(C2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 ZINC001137319086 1046540575 /nfs/dbraw/zinc/54/05/75/1046540575.db2.gz GTHKAMXFUWGEOJ-UHFFFAOYSA-N 0 3 315.420 4.419 20 30 DIEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCCS2 ZINC000783225908 1046563847 /nfs/dbraw/zinc/56/38/47/1046563847.db2.gz ZCLMGZAXAQYACE-GOSISDBHSA-N 0 3 324.449 4.284 20 30 DIEDHN N#CCC1CCN(Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140096416 1046588010 /nfs/dbraw/zinc/58/80/10/1046588010.db2.gz SYJRWTVRWFTLGY-UHFFFAOYSA-N 0 3 315.417 4.075 20 30 DIEDHN COc1ccccc1[C@H](C)N(C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116141 1046593388 /nfs/dbraw/zinc/59/33/88/1046593388.db2.gz SRMDRUOKVHWGEQ-AWEZNQCLSA-N 0 3 319.408 4.241 20 30 DIEDHN C=CCOc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000678238445 1046595223 /nfs/dbraw/zinc/59/52/23/1046595223.db2.gz JFTYKFZGIGINRM-NRFANRHFSA-N 0 3 323.436 4.215 20 30 DIEDHN COc1ccccc1[C@@H](C)N(C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116142 1046595746 /nfs/dbraw/zinc/59/57/46/1046595746.db2.gz SRMDRUOKVHWGEQ-CQSZACIVSA-N 0 3 319.408 4.241 20 30 DIEDHN CC1(c2ccccc2)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC001140139710 1046598709 /nfs/dbraw/zinc/59/87/09/1046598709.db2.gz JRVBDNDVLXABHF-UHFFFAOYSA-N 0 3 308.400 4.251 20 30 DIEDHN C=CCN(C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C)cc12 ZINC001140253216 1046625721 /nfs/dbraw/zinc/62/57/21/1046625721.db2.gz JNDUHSHIMMJFNA-UHFFFAOYSA-N 0 3 314.429 4.351 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cc3ccccc3o2)cc1 ZINC000093689156 1046634999 /nfs/dbraw/zinc/63/49/99/1046634999.db2.gz FCPWEIUNCFJSHB-HNNXBMFYSA-N 0 3 320.392 4.356 20 30 DIEDHN N#Cc1ccc(CNCC2(Sc3ccccc3)CC2)c(F)c1 ZINC000532987600 1046635221 /nfs/dbraw/zinc/63/52/21/1046635221.db2.gz HSNAGAKQADKDBO-UHFFFAOYSA-N 0 3 312.413 4.112 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001140296540 1046643401 /nfs/dbraw/zinc/64/34/01/1046643401.db2.gz SHUABFSAQXTSML-ZDUSSCGKSA-N 0 3 316.857 4.309 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccncc2)c1 ZINC000834650640 1046644798 /nfs/dbraw/zinc/64/47/98/1046644798.db2.gz OQZCUKQTNJQSBB-HKUYNNGSSA-N 0 3 309.413 4.003 20 30 DIEDHN C=CCCC[C@H](C)N[C@@H](C)c1nc(Br)cs1 ZINC000834702491 1046649696 /nfs/dbraw/zinc/64/96/96/1046649696.db2.gz PFOMWIIBVJSZBG-UWVGGRQHSA-N 0 3 303.269 4.301 20 30 DIEDHN N#CCCC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834810233 1046674466 /nfs/dbraw/zinc/67/44/66/1046674466.db2.gz ALRBOPGOXXHATF-ROUUACIJSA-N 0 3 306.409 4.404 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2ccccn2)cc1 ZINC001140378931 1046678928 /nfs/dbraw/zinc/67/89/28/1046678928.db2.gz GVQATWIACRLPSD-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C=CCCC[C@@H](C)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715869 1046691404 /nfs/dbraw/zinc/69/14/04/1046691404.db2.gz GSYCQHNAIMEVBZ-MXWKQRLJSA-N 0 3 303.290 4.404 20 30 DIEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747904 1046693539 /nfs/dbraw/zinc/69/35/39/1046693539.db2.gz FLYFUXJFOZTHNW-KSSFIOAISA-N 0 3 315.388 4.206 20 30 DIEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747905 1046693678 /nfs/dbraw/zinc/69/36/78/1046693678.db2.gz FLYFUXJFOZTHNW-RDTXWAMCSA-N 0 3 315.388 4.206 20 30 DIEDHN N#CCC1CCN(Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140418564 1046707133 /nfs/dbraw/zinc/70/71/33/1046707133.db2.gz SQJDJJFMWGRJMX-UHFFFAOYSA-N 0 3 315.417 4.075 20 30 DIEDHN C#Cc1cccc(CN[C@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000834903453 1046713449 /nfs/dbraw/zinc/71/34/49/1046713449.db2.gz PNRUKJPTJMZIPA-CQSZACIVSA-N 0 3 311.450 4.249 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000834904201 1046716558 /nfs/dbraw/zinc/71/65/58/1046716558.db2.gz WGMWIHZSEKIRBU-LJQANCHMSA-N 0 3 324.399 4.263 20 30 DIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000533425097 1046720932 /nfs/dbraw/zinc/72/09/32/1046720932.db2.gz MMZZIPIDLRQUPB-KRWDZBQOSA-N 0 3 302.462 4.309 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1nc2ccccc2[nH]1 ZINC000796738311 1046724389 /nfs/dbraw/zinc/72/43/89/1046724389.db2.gz IWEHZEYGNMWZTC-KLHDSHLOSA-N 0 3 321.424 4.346 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1nc2ccccc2[nH]1 ZINC000796738307 1046724747 /nfs/dbraw/zinc/72/47/47/1046724747.db2.gz IWEHZEYGNMWZTC-CAOSSQGBSA-N 0 3 321.424 4.346 20 30 DIEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000796800404 1046734799 /nfs/dbraw/zinc/73/47/99/1046734799.db2.gz UDSJVHKVZXUMLR-YOEHRIQHSA-N 0 3 322.408 4.313 20 30 DIEDHN CC(C)CCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000835061919 1046752819 /nfs/dbraw/zinc/75/28/19/1046752819.db2.gz LJJREZCGQKAZIX-QGZVFWFLSA-N 0 3 322.408 4.313 20 30 DIEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000075438701 1046811253 /nfs/dbraw/zinc/81/12/53/1046811253.db2.gz GCXGDXHECGXRRG-CYBMUJFWSA-N 0 3 322.261 4.038 20 30 DIEDHN N#CCC1(CNCc2ccc(SC(F)(F)F)cc2)CC1 ZINC000797468540 1046838358 /nfs/dbraw/zinc/83/83/58/1046838358.db2.gz KDTQHJXRIWNBQT-UHFFFAOYSA-N 0 3 300.349 4.082 20 30 DIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000076736107 1046867496 /nfs/dbraw/zinc/86/74/96/1046867496.db2.gz VGFXSCCDXPZSIQ-MRXNPFEDSA-N 0 3 302.462 4.343 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCS[C@H](c2ccccc2)C1 ZINC000614963242 1046891168 /nfs/dbraw/zinc/89/11/68/1046891168.db2.gz ZCAGDYBSVFDZDP-BEFAXECRSA-N 0 3 308.450 4.409 20 30 DIEDHN N#CC1(c2ccccc2)CCN(Cc2coc3ccccc23)CC1 ZINC001140782704 1046895361 /nfs/dbraw/zinc/89/53/61/1046895361.db2.gz QPLWMUPIKUGMJU-UHFFFAOYSA-N 0 3 316.404 4.490 20 30 DIEDHN C=C[C@@H](C)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237448195 1046917266 /nfs/dbraw/zinc/91/72/66/1046917266.db2.gz WGNHNTZPWGJDMZ-CYBMUJFWSA-N 0 3 314.816 4.256 20 30 DIEDHN CCN(CC)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccco1 ZINC000303536551 1046931582 /nfs/dbraw/zinc/93/15/82/1046931582.db2.gz XQZKYIQGYUQUMV-INIZCTEOSA-N 0 3 317.820 4.300 20 30 DIEDHN C=CCc1cc(CNC2(c3ccccc3C)CC2)cc(OC)c1O ZINC000647224362 1046955600 /nfs/dbraw/zinc/95/56/00/1046955600.db2.gz CZEQGLIZERUMPD-UHFFFAOYSA-N 0 3 323.436 4.217 20 30 DIEDHN N#CC(C(=O)CCCC1CCOCC1)c1ccc2ccccc2n1 ZINC000798814308 1046975191 /nfs/dbraw/zinc/97/51/91/1046975191.db2.gz KDBAMLQLOUOPSR-KRWDZBQOSA-N 0 3 322.408 4.008 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001137408537 1046975809 /nfs/dbraw/zinc/97/58/09/1046975809.db2.gz MITLKTSPHQYPHJ-MJGOQNOKSA-N 0 3 316.489 4.126 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1 ZINC000272549560 1047016598 /nfs/dbraw/zinc/01/65/98/1047016598.db2.gz QYEPOLBLYFVHAH-INIZCTEOSA-N 0 3 314.454 4.184 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720138 1047055220 /nfs/dbraw/zinc/05/52/20/1047055220.db2.gz BNZQGKOFKNHVLC-WOJBJXKFSA-N 0 3 305.421 4.427 20 30 DIEDHN C=C(C)CN(CC)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141309856 1047084900 /nfs/dbraw/zinc/08/49/00/1047084900.db2.gz DGGMKQGELJJIQY-UHFFFAOYSA-N 0 3 313.470 4.054 20 30 DIEDHN Cc1cccc(C)c1OC[C@@H](NCCCC#N)c1ccccc1 ZINC000537124319 1047138198 /nfs/dbraw/zinc/13/81/98/1047138198.db2.gz LMVSGODHEUYMQT-LJQANCHMSA-N 0 3 308.425 4.317 20 30 DIEDHN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CC1(C#N)CC1 ZINC000537247292 1047155606 /nfs/dbraw/zinc/15/56/06/1047155606.db2.gz CCUXJLWVXGPISA-LAUBAEHRSA-N 0 3 316.448 4.369 20 30 DIEDHN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CC1(C#N)CC1 ZINC000537247293 1047155727 /nfs/dbraw/zinc/15/57/27/1047155727.db2.gz CCUXJLWVXGPISA-UTKZUKDTSA-N 0 3 316.448 4.369 20 30 DIEDHN CC(C)c1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000838791785 1047158515 /nfs/dbraw/zinc/15/85/15/1047158515.db2.gz YKUGOOOSHFDWFL-MRXNPFEDSA-N 0 3 318.376 4.370 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1C)C1CC1 ZINC000537292278 1047160091 /nfs/dbraw/zinc/16/00/91/1047160091.db2.gz UITVYSHYRWCDIO-HXUWFJFHSA-N 0 3 306.409 4.116 20 30 DIEDHN Cc1ccc(CCCC=Nn2cnnc2-c2ccccc2)cc1C ZINC000783822264 1047206978 /nfs/dbraw/zinc/20/69/78/1047206978.db2.gz SYARGEKXJYVOGK-UHFFFAOYSA-N 0 3 318.424 4.419 20 30 DIEDHN N#Cc1ccc(C2CCN(Cc3scnc3C3CC3)CC2)cc1 ZINC000897589047 1047212665 /nfs/dbraw/zinc/21/26/65/1047212665.db2.gz RDASJUPNALHKAS-UHFFFAOYSA-N 0 3 323.465 4.272 20 30 DIEDHN CC(C)(C)c1ccncc1CNC1CC(C#N)(c2ccccc2)C1 ZINC001117948341 1047252137 /nfs/dbraw/zinc/25/21/37/1047252137.db2.gz SUYMOWFFECFYDQ-UHFFFAOYSA-N 0 3 319.452 4.093 20 30 DIEDHN CCCN(Cc1cc(C#N)ccc1Br)CC(C)C ZINC001141664518 1047256041 /nfs/dbraw/zinc/25/60/41/1047256041.db2.gz OKGWFXQAEGDDLC-UHFFFAOYSA-N 0 3 309.251 4.189 20 30 DIEDHN CCC[C@](C)(NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000897925826 1047300086 /nfs/dbraw/zinc/30/00/86/1047300086.db2.gz LLTZFVFHLJHRQD-FQEVSTJZSA-N 0 3 318.424 4.011 20 30 DIEDHN Cc1cc(N(C)C)ccc1CN[C@H](CCC#N)c1ccccc1 ZINC000840936586 1047360701 /nfs/dbraw/zinc/36/07/01/1047360701.db2.gz LXWCRZNXLBQFHT-HXUWFJFHSA-N 0 3 307.441 4.196 20 30 DIEDHN C=CCCn1cc(CN(C)[C@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000653762085 1047419013 /nfs/dbraw/zinc/41/90/13/1047419013.db2.gz SSHGTUWFTFLLKF-UXHICEINSA-N 0 3 324.472 4.012 20 30 DIEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cnc1Cl ZINC000841893400 1047461828 /nfs/dbraw/zinc/46/18/28/1047461828.db2.gz DTEYNAXOCDGKTD-KRWDZBQOSA-N 0 3 311.816 4.082 20 30 DIEDHN CSc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCC2 ZINC000842830708 1047507062 /nfs/dbraw/zinc/50/70/62/1047507062.db2.gz XAPPFUWRFLZNKW-LJQANCHMSA-N 0 3 308.450 4.447 20 30 DIEDHN C[C@@H](NC1(c2cccc(F)c2)CCC1)c1ccc(OCC#N)cc1 ZINC000842900667 1047512583 /nfs/dbraw/zinc/51/25/83/1047512583.db2.gz GKDPHWWODZNFOL-OAHLLOKOSA-N 0 3 324.399 4.458 20 30 DIEDHN N#Cc1ccc2c(CN3CCC4(CC(F)(F)C4)CC3)c[nH]c2c1 ZINC001142915952 1047513870 /nfs/dbraw/zinc/51/38/70/1047513870.db2.gz KQPFOAFKJQOTLE-UHFFFAOYSA-N 0 3 315.367 4.051 20 30 DIEDHN C=CCN(Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1 ZINC001142922287 1047514910 /nfs/dbraw/zinc/51/49/10/1047514910.db2.gz AKDOVKGONHBUSM-UHFFFAOYSA-N 0 3 301.393 4.228 20 30 DIEDHN CC(C)(C)c1cccc(CN2CCc3cc(C#N)ccc3C2)c1O ZINC001143103431 1047531435 /nfs/dbraw/zinc/53/14/35/1047531435.db2.gz DABRPCVGVFEYCX-UHFFFAOYSA-N 0 3 320.436 4.120 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@@H](OC(C)(C)C)C2)c([O-])c1 ZINC000843265019 1047536424 /nfs/dbraw/zinc/53/64/24/1047536424.db2.gz SNXPFOTUDDBBHJ-HQJMKTBMSA-N 0 3 318.461 4.003 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2C2CCCCC2)c1F ZINC001143173609 1047537198 /nfs/dbraw/zinc/53/71/98/1047537198.db2.gz AAWURTQCTOAMLJ-QGZVFWFLSA-N 0 3 304.384 4.381 20 30 DIEDHN CC(C)(CCC#N)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000093532645 1047548117 /nfs/dbraw/zinc/54/81/17/1047548117.db2.gz FXNKZCKKPSNFFR-UHFFFAOYSA-N 0 3 316.289 4.133 20 30 DIEDHN C#CC[C@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000843423938 1047549916 /nfs/dbraw/zinc/54/99/16/1047549916.db2.gz MBNUAPDHDYSYKJ-ZDUSSCGKSA-N 0 3 302.468 4.107 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1 ZINC000093845393 1047552916 /nfs/dbraw/zinc/55/29/16/1047552916.db2.gz UMFWOLPLTBNMQU-OXQOHEQNSA-N 0 3 323.440 4.043 20 30 DIEDHN C=CCCC[C@@H](C)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407668 1047676132 /nfs/dbraw/zinc/67/61/32/1047676132.db2.gz IZBGYLRUWNLSBI-ZIAGYGMSSA-N 0 3 316.424 4.110 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000538513450 1047685342 /nfs/dbraw/zinc/68/53/42/1047685342.db2.gz KCVHNGWMPHIJMJ-CYBMUJFWSA-N 0 3 304.409 4.205 20 30 DIEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000067799269 1047773886 /nfs/dbraw/zinc/77/38/86/1047773886.db2.gz SQWMKEURFGAMST-HNNXBMFYSA-N 0 3 318.376 4.372 20 30 DIEDHN CCCc1cccc(CN2CCc3c(CC#N)cccc3C2)c1 ZINC001183181870 1047901331 /nfs/dbraw/zinc/90/13/31/1047901331.db2.gz ZCGMABRHLSZNPE-UHFFFAOYSA-N 0 3 304.437 4.263 20 30 DIEDHN C#CCN(Cc1cccc(N(C)C)c1)[C@H]1CCCc2ccccc21 ZINC001198103903 1047928199 /nfs/dbraw/zinc/92/81/99/1047928199.db2.gz KVBHOCMWPYKWBR-QFIPXVFZSA-N 0 3 318.464 4.265 20 30 DIEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001198457687 1047958291 /nfs/dbraw/zinc/95/82/91/1047958291.db2.gz HVUBTXKEPDMTSD-CQSZACIVSA-N 0 3 308.853 4.264 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCO[C@H](c2ccccc2)CC1 ZINC001198704768 1047999351 /nfs/dbraw/zinc/99/93/51/1047999351.db2.gz FGKWMZTULNOALU-NRFANRHFSA-N 0 3 320.436 4.139 20 30 DIEDHN C=CC1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000554364377 1048079935 /nfs/dbraw/zinc/07/99/35/1048079935.db2.gz AZCJFZKLGKYFPI-UHFFFAOYSA-N 0 3 302.805 4.393 20 30 DIEDHN CCN(CC)[C@H](CNc1cc(C)cc(F)c1C#N)c1ccco1 ZINC001162308118 1048259148 /nfs/dbraw/zinc/25/91/48/1048259148.db2.gz OJJLVHBTZVWNGB-QGZVFWFLSA-N 0 3 315.392 4.094 20 30 DIEDHN C#Cc1ccccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201478143 1048296476 /nfs/dbraw/zinc/29/64/76/1048296476.db2.gz XTFZTLLBJGNVCD-RTWAWAEBSA-N 0 3 314.432 4.401 20 30 DIEDHN C=CCOCc1ncn2c1CN(C[C@@H](CC)CCCC)CCC2 ZINC001201558305 1048317754 /nfs/dbraw/zinc/31/77/54/1048317754.db2.gz AZLQGFMKQANNEG-KRWDZBQOSA-N 0 3 319.493 4.008 20 30 DIEDHN C=CCOCc1ncn2c1CN(C[C@H](CC)CCCC)CCC2 ZINC001201558306 1048318186 /nfs/dbraw/zinc/31/81/86/1048318186.db2.gz AZLQGFMKQANNEG-QGZVFWFLSA-N 0 3 319.493 4.008 20 30 DIEDHN CCCCCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC001201631444 1048327827 /nfs/dbraw/zinc/32/78/27/1048327827.db2.gz SQGKFPLHANXOMP-HXUWFJFHSA-N 0 3 324.553 4.314 20 30 DIEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Br ZINC000481265383 1048347983 /nfs/dbraw/zinc/34/79/83/1048347983.db2.gz AWYJAEBMZVHMNL-SMDDNHRTSA-N 0 3 307.235 4.084 20 30 DIEDHN C[C@]1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCS1 ZINC000600121498 1048368075 /nfs/dbraw/zinc/36/80/75/1048368075.db2.gz VFHXGRXUCQYJLS-KZNAEPCWSA-N 0 3 300.471 4.044 20 30 DIEDHN CCCCCCCCN1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001201815155 1048378178 /nfs/dbraw/zinc/37/81/78/1048378178.db2.gz XUULIKFSVZARRK-SFHVURJKSA-N 0 3 321.509 4.199 20 30 DIEDHN CC(C)[C@H](C#N)c1ccc(N[C@@H]2CNCc3ccsc32)cc1 ZINC001163228605 1048440555 /nfs/dbraw/zinc/44/05/55/1048440555.db2.gz LPCBJAWILJIVPH-DLBZAZTESA-N 0 3 311.454 4.268 20 30 DIEDHN CCC1(CC)CCCN1Cc1ccc(C#N)cc1Br ZINC001175898415 1048476580 /nfs/dbraw/zinc/47/65/80/1048476580.db2.gz OGVNGYHUDXDTEN-UHFFFAOYSA-N 0 3 321.262 4.475 20 30 DIEDHN C=CCCCNCc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001202258611 1048494317 /nfs/dbraw/zinc/49/43/17/1048494317.db2.gz HBZRNWQPXYKMPL-UHFFFAOYSA-N 0 3 317.864 4.257 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CCCc2ccc(F)cc21 ZINC001202282014 1048509321 /nfs/dbraw/zinc/50/93/21/1048509321.db2.gz ZGLRUXLSHKJRIL-HXUWFJFHSA-N 0 3 308.400 4.481 20 30 DIEDHN COc1cc(CNCc2c(C)cc(Cl)cc2C)ccc1C#N ZINC000567970530 1048609578 /nfs/dbraw/zinc/60/95/78/1048609578.db2.gz HAAIVUDOTXCAGA-UHFFFAOYSA-N 0 3 314.816 4.127 20 30 DIEDHN CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1OC ZINC000850030248 1048612217 /nfs/dbraw/zinc/61/22/17/1048612217.db2.gz WDJYOPAPIVNELB-LJQANCHMSA-N 0 3 320.436 4.491 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1C ZINC000160094867 1048634965 /nfs/dbraw/zinc/63/49/65/1048634965.db2.gz BPUKSQZYJSZLRG-ZDUSSCGKSA-N 0 3 313.426 4.129 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cc2cnccc2o1 ZINC000850444634 1048658887 /nfs/dbraw/zinc/65/88/87/1048658887.db2.gz YPVJHFOTJWWISB-ZIAGYGMSSA-N 0 3 321.380 4.142 20 30 DIEDHN C#CCN(CCOCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001176453702 1048688267 /nfs/dbraw/zinc/68/82/67/1048688267.db2.gz XNTNQTIFXPLNGG-JOCHJYFZSA-N 0 3 319.448 4.216 20 30 DIEDHN Cn1cc(CN(Cc2ccc3ccccc3c2)C2CC2)cc1C#N ZINC000483172458 1048753015 /nfs/dbraw/zinc/75/30/15/1048753015.db2.gz LEDFZULNUMUTKV-UHFFFAOYSA-N 0 3 315.420 4.215 20 30 DIEDHN CCN(Cc1ccc(C#N)cc1Br)[C@H](C)C(C)C ZINC001190604038 1048765483 /nfs/dbraw/zinc/76/54/83/1048765483.db2.gz AWUWGIDHTAOFPO-GFCCVEGCSA-N 0 3 309.251 4.187 20 30 DIEDHN N#CC(C(=O)c1csc(Cl)c1)c1nccc2ccccc21 ZINC000483242036 1048761630 /nfs/dbraw/zinc/76/16/30/1048761630.db2.gz XACXZZAYMWHJDS-ZDUSSCGKSA-N 0 3 312.781 4.440 20 30 DIEDHN N#CC(C(=O)c1csc(Cl)c1)c1nccc2ccccc21 ZINC000483242035 1048762026 /nfs/dbraw/zinc/76/20/26/1048762026.db2.gz XACXZZAYMWHJDS-CYBMUJFWSA-N 0 3 312.781 4.440 20 30 DIEDHN N#Cc1ccc(CN(CC2CC2)C2CCC2)c(Br)c1 ZINC000483301765 1048775971 /nfs/dbraw/zinc/77/59/71/1048775971.db2.gz GXPUCGLJIUWOHW-UHFFFAOYSA-N 0 3 319.246 4.085 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413796 1048788592 /nfs/dbraw/zinc/78/85/92/1048788592.db2.gz BUAWFZZAIKSGBQ-NHCUHLMSSA-N 0 3 300.405 4.290 20 30 DIEDHN C=CCCCN(CC)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC001176797865 1048789540 /nfs/dbraw/zinc/78/95/40/1048789540.db2.gz GHMYMVHPDOYDEX-SJORKVTESA-N 0 3 314.473 4.031 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000038003372 1048816638 /nfs/dbraw/zinc/81/66/38/1048816638.db2.gz AMWSDPBJFJPITI-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN CCCCCCCCNC(=O)Nc1ccccc1CN(C)C ZINC001191069716 1048838722 /nfs/dbraw/zinc/83/87/22/1048838722.db2.gz PSXXPCZFNJBDIO-UHFFFAOYSA-N 0 3 305.466 4.230 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)N[C@@H](c1ncccn1)C1CC1 ZINC000903324760 1048859478 /nfs/dbraw/zinc/85/94/78/1048859478.db2.gz QYLXHKNCNZLMCS-RBUKOAKNSA-N 0 3 307.441 4.095 20 30 DIEDHN Cc1cc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)c(C)o1 ZINC000067506528 1048861777 /nfs/dbraw/zinc/86/17/77/1048861777.db2.gz HUNJXQJWVQRYFH-HNNXBMFYSA-N 0 3 311.429 4.097 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658038 1048874343 /nfs/dbraw/zinc/87/43/43/1048874343.db2.gz FJPPYGZYQVFPMA-AWEZNQCLSA-N 0 3 323.827 4.457 20 30 DIEDHN C=CCCCCCN(C)[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001191133881 1048874728 /nfs/dbraw/zinc/87/47/28/1048874728.db2.gz UKSAEBVSVNHXNA-LJQANCHMSA-N 0 3 316.489 4.415 20 30 DIEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@H]1c1ccccc1 ZINC001191224075 1048901895 /nfs/dbraw/zinc/90/18/95/1048901895.db2.gz SFWCELNVYCADCV-HNAYVOBHSA-N 0 3 308.400 4.323 20 30 DIEDHN N#Cc1ccc(Br)c(CNCCC[C@H]2C=CCC2)c1 ZINC001203553211 1048927251 /nfs/dbraw/zinc/92/72/51/1048927251.db2.gz CAKFGFXTKRZPTE-ZDUSSCGKSA-N 0 3 319.246 4.157 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001177879204 1048962227 /nfs/dbraw/zinc/96/22/27/1048962227.db2.gz BJMZUVHOQOYPPZ-FUTHQCHMSA-N 0 3 320.521 4.378 20 30 DIEDHN CC(C)N(Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC001191582329 1048962882 /nfs/dbraw/zinc/96/28/82/1048962882.db2.gz OUQGKFIABJOZCJ-UHFFFAOYSA-N 0 3 321.262 4.474 20 30 DIEDHN C=C[C@H](COC)NCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001178536982 1049053947 /nfs/dbraw/zinc/05/39/47/1049053947.db2.gz GKYGERMJAOFGIX-MRXNPFEDSA-N 0 3 301.817 4.298 20 30 DIEDHN C=CCOc1ccc(CNCc2cnc3c(F)cccc3c2)cc1 ZINC001178700593 1049077584 /nfs/dbraw/zinc/07/75/84/1049077584.db2.gz VEWGPOIVBWDAGM-UHFFFAOYSA-N 0 3 322.383 4.229 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)ccc2C)c1 ZINC000113960880 1049079917 /nfs/dbraw/zinc/07/99/17/1049079917.db2.gz KVFOZNRWAOKQSW-LJQANCHMSA-N 0 3 308.425 4.274 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2cccc(C)c2nc1Cl ZINC001178762376 1049084783 /nfs/dbraw/zinc/08/47/83/1049084783.db2.gz MBFAFIPDQUXLNR-CVEARBPZSA-N 0 3 316.832 4.020 20 30 DIEDHN C#Cc1ccc(CNCc2cc(C)c(OC(F)F)c(C)c2)cc1 ZINC001178759116 1049085134 /nfs/dbraw/zinc/08/51/34/1049085134.db2.gz VJTSMJFKKHDPCA-UHFFFAOYSA-N 0 3 315.363 4.176 20 30 DIEDHN O=C1C=C2CN(Cc3ccc(-c4ccccc4)cc3)CCC2S1 ZINC001204134918 1049091004 /nfs/dbraw/zinc/09/10/04/1049091004.db2.gz HYYZXKJMWNVDQE-IBGZPJMESA-N 0 3 321.445 4.128 20 30 DIEDHN C(#Cc1ccccc1)CN1CC[C@@H](CSc2ccccc2)C1 ZINC001204164002 1049100177 /nfs/dbraw/zinc/10/01/77/1049100177.db2.gz WWVOSNJXPFOPGC-LJQANCHMSA-N 0 3 307.462 4.152 20 30 DIEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000775552609 1049148965 /nfs/dbraw/zinc/14/89/65/1049148965.db2.gz JACOHCUUKLGCAQ-MSOLQXFVSA-N 0 3 314.816 4.008 20 30 DIEDHN N#CCC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000775552618 1049149196 /nfs/dbraw/zinc/14/91/96/1049149196.db2.gz JACOHCUUKLGCAQ-ROUUACIJSA-N 0 3 314.816 4.008 20 30 DIEDHN Cc1c(F)cccc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001204510746 1049178939 /nfs/dbraw/zinc/17/89/39/1049178939.db2.gz NRFNICGPKVEIIJ-IBGZPJMESA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H](c3ccccc3)C2)n1 ZINC001179681648 1049197361 /nfs/dbraw/zinc/19/73/61/1049197361.db2.gz QYUJGHIWPVWCCT-JKSUJKDBSA-N 0 3 311.454 4.221 20 30 DIEDHN CC(C)Cc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000858204528 1049225122 /nfs/dbraw/zinc/22/51/22/1049225122.db2.gz NJQIAIBPHBLBAW-KRWDZBQOSA-N 0 3 322.452 4.466 20 30 DIEDHN C=CC(C)(C)CCN[C@H](C)c1nc(Br)cs1 ZINC000858447977 1049260404 /nfs/dbraw/zinc/26/04/04/1049260404.db2.gz UAQXPZFRRRYKEL-SECBINFHSA-N 0 3 303.269 4.159 20 30 DIEDHN C=CCN(C)CCN(CC)Cc1c(Cl)oc2ccccc21 ZINC001193920190 1049284096 /nfs/dbraw/zinc/28/40/96/1049284096.db2.gz KFFUDKGOQANGCU-UHFFFAOYSA-N 0 3 306.837 4.026 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CCCC2(C)C)cc1OC ZINC001180121924 1049292500 /nfs/dbraw/zinc/29/25/00/1049292500.db2.gz YKNKDRCVNDVYOR-UHFFFAOYSA-N 0 3 309.837 4.288 20 30 DIEDHN C=CCN(C/C=C/c1ccc(F)cc1F)CCc1ccco1 ZINC001180331803 1049347425 /nfs/dbraw/zinc/34/74/25/1049347425.db2.gz JSNTWVBDLCFCEO-HWKANZROSA-N 0 3 303.352 4.302 20 30 DIEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000485854733 1049355164 /nfs/dbraw/zinc/35/51/64/1049355164.db2.gz XJNUMNAYFBILRM-ZDUSSCGKSA-N 0 3 310.397 4.138 20 30 DIEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H]1c1cccs1 ZINC001180412792 1049360801 /nfs/dbraw/zinc/36/08/01/1049360801.db2.gz HLWKUKKOLOJMIY-KRWDZBQOSA-N 0 3 311.454 4.023 20 30 DIEDHN C/C(=C/c1ccccc1)CN(C)Cc1cc(C#N)ccc1N(C)C ZINC001180866067 1049413428 /nfs/dbraw/zinc/41/34/28/1049413428.db2.gz YNFCOZRISVJRDF-ATVHPVEESA-N 0 3 319.452 4.160 20 30 DIEDHN C=C[C@@](C)(O)CN(Cc1ccc(Cl)cc1Cl)C(C)C ZINC001252555952 1049413727 /nfs/dbraw/zinc/41/37/27/1049413727.db2.gz BLUWBSYXHRDCSB-OAHLLOKOSA-N 0 3 302.245 4.141 20 30 DIEDHN C=CC[C@H]1N(Cc2ccc(OC)c(OC)c2F)CCCC1(C)C ZINC001181296641 1049459282 /nfs/dbraw/zinc/45/92/82/1049459282.db2.gz BLVXSRACGYAJLX-MRXNPFEDSA-N 0 3 321.436 4.410 20 30 DIEDHN CCCCC[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000486795512 1049474830 /nfs/dbraw/zinc/47/48/30/1049474830.db2.gz HLNVWVKZSJYMEH-KRWDZBQOSA-N 0 3 324.428 4.153 20 30 DIEDHN COc1cccc([C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)c1 ZINC000486801529 1049476423 /nfs/dbraw/zinc/47/64/23/1049476423.db2.gz UVNJKKKCCCHZFX-FQEVSTJZSA-N 0 3 306.409 4.212 20 30 DIEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC001195222237 1049500066 /nfs/dbraw/zinc/50/00/66/1049500066.db2.gz AURHPWFVGKAWKG-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN C=CCCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001195423745 1049530203 /nfs/dbraw/zinc/53/02/03/1049530203.db2.gz FRTCFHOAJZQBRT-BZUAXINKSA-N 0 3 310.482 4.061 20 30 DIEDHN C=CCCn1cc(CN(CCCC)[C@@H]2CCC[C@H](C)C2)nn1 ZINC001182072524 1049570464 /nfs/dbraw/zinc/57/04/64/1049570464.db2.gz PYXHIDKDIVHFBE-FUHWJXTLSA-N 0 3 304.482 4.035 20 30 DIEDHN C=CC[C@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946741 1049598971 /nfs/dbraw/zinc/59/89/71/1049598971.db2.gz MVSKYFSPDHSTRL-LRDDRELGSA-N 0 3 314.256 4.315 20 30 DIEDHN C#C[C@@H](N[C@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974139 1049614348 /nfs/dbraw/zinc/61/43/48/1049614348.db2.gz MGIJXRUKAXVHNR-FZKQIMNGSA-N 0 3 301.792 4.374 20 30 DIEDHN C=C(CC)CNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001182357284 1049634986 /nfs/dbraw/zinc/63/49/86/1049634986.db2.gz SRBSBMYMMLHOQY-UHFFFAOYSA-N 0 3 313.397 4.179 20 30 DIEDHN N#Cc1ccc(CN2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001196329061 1049643467 /nfs/dbraw/zinc/64/34/67/1049643467.db2.gz KSCZCXMWMAHXSJ-QGZVFWFLSA-N 0 3 313.401 4.011 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc(CCCC)cc2)no1 ZINC001206094318 1049651890 /nfs/dbraw/zinc/65/18/90/1049651890.db2.gz GYQWUPFBDNXEKM-UHFFFAOYSA-N 0 3 311.429 4.188 20 30 DIEDHN C#C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091806 1049652068 /nfs/dbraw/zinc/65/20/68/1049652068.db2.gz SQKXBKYGNBXXLR-DLBZAZTESA-N 0 3 303.833 4.096 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc3sccc3c2)no1 ZINC001206094659 1049652222 /nfs/dbraw/zinc/65/22/22/1049652222.db2.gz SUDGMOSAEMAYJX-UHFFFAOYSA-N 0 3 311.410 4.060 20 30 DIEDHN CCCCCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000774348354 1049655356 /nfs/dbraw/zinc/65/53/56/1049655356.db2.gz KTBNLUMXBKKCGJ-GOSISDBHSA-N 0 3 303.425 4.209 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)[C@@H](C)[C@H]2C)cc1OC ZINC001182452910 1049658160 /nfs/dbraw/zinc/65/81/60/1049658160.db2.gz QEHRENYFMOQVHZ-BFHYXJOUSA-N 0 3 323.864 4.390 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccncc2CC)cc1 ZINC000774477127 1049671906 /nfs/dbraw/zinc/67/19/06/1049671906.db2.gz KFSHORCAUJAIEH-JKSUJKDBSA-N 0 3 308.425 4.068 20 30 DIEDHN C[C@@H](CNCC1(C#N)CCCC1)c1cccc(Br)c1 ZINC001182684860 1049698722 /nfs/dbraw/zinc/69/87/22/1049698722.db2.gz ODHZPAJWKQNBKK-ZDUSSCGKSA-N 0 3 321.262 4.226 20 30 DIEDHN CCCN(CC#Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC001196910055 1049704361 /nfs/dbraw/zinc/70/43/61/1049704361.db2.gz ZMMBDYPKXZGJQG-UHFFFAOYSA-N 0 3 311.400 4.098 20 30 DIEDHN CC(C)P(CCNC(=O)[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC001182799685 1049711658 /nfs/dbraw/zinc/71/16/58/1049711658.db2.gz KMGFHGNSZAPCAD-OAHLLOKOSA-N 0 3 318.401 4.077 20 30 DIEDHN C/C=C/COc1ccc(CC[C@H](C)NCC2(C#N)CCC2)cc1 ZINC001206328278 1049713440 /nfs/dbraw/zinc/71/34/40/1049713440.db2.gz IPHKBFDJPFGNIS-IDOMTICXSA-N 0 3 312.457 4.246 20 30 DIEDHN CCc1cc(C(=O)NCCP(C(C)C)C(C)C)ccc1C#N ZINC001197308382 1049736925 /nfs/dbraw/zinc/73/69/25/1049736925.db2.gz SDACQFMJKRWYRT-UHFFFAOYSA-N 0 3 318.401 4.149 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924932 1049751254 /nfs/dbraw/zinc/75/12/54/1049751254.db2.gz XUNIBKMXBMVPRM-HNNXBMFYSA-N 0 3 324.424 4.061 20 30 DIEDHN C[C@@H]1c2ccc(F)cc2CCN1CCCOc1cccc(C#N)c1 ZINC001197497600 1049756961 /nfs/dbraw/zinc/75/69/61/1049756961.db2.gz UIERSGPFMOAUFW-OAHLLOKOSA-N 0 3 324.399 4.086 20 30 DIEDHN C[C@H]1c2ccc(F)cc2CCN1CCCOc1cccc(C#N)c1 ZINC001197497599 1049757647 /nfs/dbraw/zinc/75/76/47/1049757647.db2.gz UIERSGPFMOAUFW-HNNXBMFYSA-N 0 3 324.399 4.086 20 30 DIEDHN COc1ccccc1[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001207261123 1049870896 /nfs/dbraw/zinc/87/08/96/1049870896.db2.gz NOVYXHVDKNOKBH-HXUWFJFHSA-N 0 3 319.448 4.316 20 30 DIEDHN CC(C)Oc1cccc([C@H](C)NCc2cc(C#N)cs2)c1 ZINC000093492371 1049951152 /nfs/dbraw/zinc/95/11/52/1049951152.db2.gz IRXXHYVFCOLJTC-ZDUSSCGKSA-N 0 3 300.427 4.258 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(N(CC)C(C)=O)CC1 ZINC001208124626 1049975701 /nfs/dbraw/zinc/97/57/01/1049975701.db2.gz WPQQWQKEUKDHNX-VAWYXSNFSA-N 0 3 308.510 4.236 20 30 DIEDHN CC[C@H](CC#N)NCCCCOc1ccccc1C(F)(F)F ZINC000571936692 1049977652 /nfs/dbraw/zinc/97/76/52/1049977652.db2.gz FMVWTAQHPAZSBI-CYBMUJFWSA-N 0 3 314.351 4.146 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001208178184 1049982035 /nfs/dbraw/zinc/98/20/35/1049982035.db2.gz MHVCDEHIVPBNJA-MRXNPFEDSA-N 0 3 313.441 4.149 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCC(c3noc(CC)n3)CC2)CC1 ZINC001208178989 1049982281 /nfs/dbraw/zinc/98/22/81/1049982281.db2.gz ZAUIHCKCCKVBRT-MRXNPFEDSA-N 0 3 315.461 4.114 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCC(c3nc(CC)no3)CC2)CC1 ZINC001208177807 1049982373 /nfs/dbraw/zinc/98/23/73/1049982373.db2.gz GFVAZQMFEZIKDK-MRXNPFEDSA-N 0 3 315.461 4.114 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NC1(c3ccc(F)cc3)CCC1)CC2 ZINC000589342973 1050028358 /nfs/dbraw/zinc/02/83/58/1050028358.db2.gz YAUDUOUWGOOQRM-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN C=CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001209157006 1050040794 /nfs/dbraw/zinc/04/07/94/1050040794.db2.gz NHRUSFCDTROEOZ-KRWDZBQOSA-N 0 3 300.446 4.063 20 30 DIEDHN C=CCCCCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC001209431621 1050058171 /nfs/dbraw/zinc/05/81/71/1050058171.db2.gz QXPCWVSHXLGUDU-SDNWHVSQSA-N 0 3 312.501 4.454 20 30 DIEDHN C=CCCCCCCN1CC(c2ccc(C(=O)OC)cc2)C1 ZINC001209440183 1050059408 /nfs/dbraw/zinc/05/94/08/1050059408.db2.gz DKIPYVNBMCFARB-UHFFFAOYSA-N 0 3 301.430 4.009 20 30 DIEDHN COc1ccccc1CN(CCCCC#N)Cc1cccs1 ZINC000057590561 1050100883 /nfs/dbraw/zinc/10/08/83/1050100883.db2.gz NVSBGCVCBGVNQV-UHFFFAOYSA-N 0 3 314.454 4.453 20 30 DIEDHN C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)c2ccccc2O1 ZINC000590779131 1050106832 /nfs/dbraw/zinc/10/68/32/1050106832.db2.gz AVZSXFUYTIRZJZ-VOBQZIQPSA-N 0 3 318.420 4.438 20 30 DIEDHN CC(C)c1ccc(OC2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000591011265 1050118884 /nfs/dbraw/zinc/11/88/84/1050118884.db2.gz DOQBYCJXSMMCNK-MRXNPFEDSA-N 0 3 300.446 4.345 20 30 DIEDHN C=CCc1cc(CNCc2csc(C)c2)cc(OC)c1OC ZINC000823825852 1050155933 /nfs/dbraw/zinc/15/59/33/1050155933.db2.gz WZVCYAXZMVJVMH-UHFFFAOYSA-N 0 3 317.454 4.092 20 30 DIEDHN CCc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)s1 ZINC000733800550 1050156378 /nfs/dbraw/zinc/15/63/78/1050156378.db2.gz YYBJNSZBBANKLQ-OAHLLOKOSA-N 0 3 314.454 4.281 20 30 DIEDHN C=CCOCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000347970263 1050165872 /nfs/dbraw/zinc/16/58/72/1050165872.db2.gz MVAXFFNFLSYIOA-OAHLLOKOSA-N 0 3 302.443 4.026 20 30 DIEDHN C=C(Br)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378760519 1050187679 /nfs/dbraw/zinc/18/76/79/1050187679.db2.gz AUIXHLRLFIZGEU-LPEHRKFASA-N 0 3 320.683 4.392 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000824469065 1050218433 /nfs/dbraw/zinc/21/84/33/1050218433.db2.gz WBZIPBIDOUBKLU-JLTOFOAXSA-N 0 3 324.399 4.284 20 30 DIEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC2(CCCC2)O1 ZINC000592196371 1050274735 /nfs/dbraw/zinc/27/47/35/1050274735.db2.gz WQMSVOQJMTWDTR-MRXNPFEDSA-N 0 3 312.457 4.021 20 30 DIEDHN CC1(C)CCc2cc(CNCc3ccc(C#N)c(F)c3)ccc2O1 ZINC000825231636 1050284993 /nfs/dbraw/zinc/28/49/93/1050284993.db2.gz BFOVWNCQEYAZDD-UHFFFAOYSA-N 0 3 324.399 4.091 20 30 DIEDHN N#C[C@H]1CCCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085068 1050297265 /nfs/dbraw/zinc/29/72/65/1050297265.db2.gz DRXCCWUEVRIVLF-WFASDCNBSA-N 0 3 323.267 4.476 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1csc(C)c1 ZINC000592379631 1050297720 /nfs/dbraw/zinc/29/77/20/1050297720.db2.gz MKYSIRRAKGIGFL-MRXNPFEDSA-N 0 3 300.427 4.178 20 30 DIEDHN N#C[C@@H]1CCCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085062 1050298447 /nfs/dbraw/zinc/29/84/47/1050298447.db2.gz DRXCCWUEVRIVLF-DOMZBBRYSA-N 0 3 323.267 4.476 20 30 DIEDHN CC(C)C[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735310326 1050372887 /nfs/dbraw/zinc/37/28/87/1050372887.db2.gz YNMQUBFWGPXUBQ-MRXNPFEDSA-N 0 3 306.837 4.253 20 30 DIEDHN CC(C)[C@@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735311711 1050373152 /nfs/dbraw/zinc/37/31/52/1050373152.db2.gz PFPSYJJWUYWWBS-INIZCTEOSA-N 0 3 306.837 4.253 20 30 DIEDHN CCn1cc(CN(Cc2ccccc2C(C)(C)C#N)C(C)C)cn1 ZINC000593079668 1050383391 /nfs/dbraw/zinc/38/33/91/1050383391.db2.gz JMRRGBDDEHMQGE-UHFFFAOYSA-N 0 3 324.472 4.115 20 30 DIEDHN N#CCCC[C@@H](NCc1cc2cnccc2o1)c1ccccc1 ZINC000593628532 1050430032 /nfs/dbraw/zinc/43/00/32/1050430032.db2.gz ADORSSZTDGATBF-GOSISDBHSA-N 0 3 305.381 4.353 20 30 DIEDHN C[C@@H](CCc1ccc(OC(F)F)cc1)NCC1(C#N)CCCC1 ZINC000593653621 1050432901 /nfs/dbraw/zinc/43/29/01/1050432901.db2.gz SPWFCEYUBBNJMK-AWEZNQCLSA-N 0 3 322.399 4.283 20 30 DIEDHN C=C(C)CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785965368 1050437671 /nfs/dbraw/zinc/43/76/71/1050437671.db2.gz QDUGJJSTCHCPDN-UHFFFAOYSA-N 0 3 307.437 4.213 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000785998448 1050442440 /nfs/dbraw/zinc/44/24/40/1050442440.db2.gz FHDIJMFHZCKHOP-HNNXBMFYSA-N 0 3 304.459 4.001 20 30 DIEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171131640 1050448914 /nfs/dbraw/zinc/44/89/14/1050448914.db2.gz YWZMJAZDOJXQMJ-GOSISDBHSA-N 0 3 302.849 4.356 20 30 DIEDHN CC[C@H](CC#N)NCC/C=C\c1ccc(Br)cc1 ZINC000594009343 1050472583 /nfs/dbraw/zinc/47/25/83/1050472583.db2.gz CVOOGTCLJOMZSS-UYWPIULCSA-N 0 3 307.235 4.134 20 30 DIEDHN CCOCc1ccccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594493955 1050517511 /nfs/dbraw/zinc/51/75/11/1050517511.db2.gz BZEUGHMNOHIGEL-UHFFFAOYSA-N 0 3 322.452 4.314 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCc4c3cc(F)cc4F)CCC2)cc1 ZINC000594516088 1050524924 /nfs/dbraw/zinc/52/49/24/1050524924.db2.gz AXIZBNDOJDKKQU-IBGZPJMESA-N 0 3 324.374 4.493 20 30 DIEDHN COc1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594515611 1050525367 /nfs/dbraw/zinc/52/53/67/1050525367.db2.gz OOMSIVLZMBDIRI-HNNXBMFYSA-N 0 3 306.409 4.297 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCO2 ZINC000594512800 1050525389 /nfs/dbraw/zinc/52/53/89/1050525389.db2.gz DQAFYHNOZPYMHT-AWEZNQCLSA-N 0 3 320.392 4.017 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594512757 1050526841 /nfs/dbraw/zinc/52/68/41/1050526841.db2.gz CXXJNFWYPYPJGF-AWEZNQCLSA-N 0 3 321.380 4.196 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCc4ccc(F)cc43)CCC2)cc1 ZINC000594516465 1050527680 /nfs/dbraw/zinc/52/76/80/1050527680.db2.gz RTGIEJDCONYOSA-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN C=CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594521946 1050530259 /nfs/dbraw/zinc/53/02/59/1050530259.db2.gz WDEFXCRMXDBLQK-UHFFFAOYSA-N 0 3 318.420 4.292 20 30 DIEDHN N#C[C@@H]1CCCN([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165174 1050547809 /nfs/dbraw/zinc/54/78/09/1050547809.db2.gz QVLNKJIWVGVMRB-DOMZBBRYSA-N 0 3 323.267 4.476 20 30 DIEDHN CC1(C#N)CCN([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171171243 1050556833 /nfs/dbraw/zinc/55/68/33/1050556833.db2.gz DEVVIIXVUDKDSU-AWEZNQCLSA-N 0 3 323.267 4.476 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N1CCCN(CC)CC1 ZINC001144387210 1050557250 /nfs/dbraw/zinc/55/72/50/1050557250.db2.gz BZEAZSURQHCKFX-SFHVURJKSA-N 0 3 310.526 4.317 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001211436673 1050566459 /nfs/dbraw/zinc/56/64/59/1050566459.db2.gz SJIABEBBEZHGAM-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(C)ccc2Cl)no1 ZINC001211436546 1050566603 /nfs/dbraw/zinc/56/66/03/1050566603.db2.gz PKQRGJONQBSETH-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C)cc2Cl)no1 ZINC001211436838 1050567284 /nfs/dbraw/zinc/56/72/84/1050567284.db2.gz ZYQRKTMKVXZSJJ-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN Cc1ccc(F)c(CN[C@H](C)Cc2cccc(C#N)c2)c1Cl ZINC001171178925 1050573742 /nfs/dbraw/zinc/57/37/42/1050573742.db2.gz LZAFZKVZWDVVKP-CYBMUJFWSA-N 0 3 316.807 4.380 20 30 DIEDHN Cc1cc(C)cc(CNCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000594973620 1050574195 /nfs/dbraw/zinc/57/41/95/1050574195.db2.gz NXRQWZZYCWZBPU-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(F)c(F)cc1Cl ZINC001171183486 1050581237 /nfs/dbraw/zinc/58/12/37/1050581237.db2.gz FICCVFMIXVWIOB-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN CCCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594964204 1050583710 /nfs/dbraw/zinc/58/37/10/1050583710.db2.gz CARUEOGPDDNOPW-UHFFFAOYSA-N 0 3 308.425 4.372 20 30 DIEDHN C=CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594965507 1050583853 /nfs/dbraw/zinc/58/38/53/1050583853.db2.gz JROOTRDPPWQITC-UHFFFAOYSA-N 0 3 306.409 4.148 20 30 DIEDHN Cc1cc(NC(=N)c2ccc3cc(O)ccc3c2)cc2cc[nH]c21 ZINC001171186583 1050584234 /nfs/dbraw/zinc/58/42/34/1050584234.db2.gz VSUFLCNRCOKSPQ-UHFFFAOYSA-N 0 3 315.376 4.372 20 30 DIEDHN CCCOc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594965041 1050584307 /nfs/dbraw/zinc/58/43/07/1050584307.db2.gz HSUOVGKJCOAHBD-UHFFFAOYSA-N 0 3 308.425 4.372 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCCC1)c1cnc2ccccc2n1 ZINC000845530183 1050590061 /nfs/dbraw/zinc/59/00/61/1050590061.db2.gz DQUIKJFUGSLXRF-JNSOCZORSA-N 0 3 319.408 4.333 20 30 DIEDHN COc1cc(CN[C@H]2CCCc3c(C)cccc32)ccc1C#N ZINC000594999820 1050590430 /nfs/dbraw/zinc/59/04/30/1050590430.db2.gz FLWFGXSEIXCDIG-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN Cc1ccc2oc(CN[C@@H](C)c3ccc(OCC#N)cc3)cc2c1 ZINC000740003948 1050594622 /nfs/dbraw/zinc/59/46/22/1050594622.db2.gz DTYRUWGIGUWUFN-HNNXBMFYSA-N 0 3 320.392 4.494 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)NC1(c2ccc(F)cc2F)CC1 ZINC001171191819 1050594904 /nfs/dbraw/zinc/59/49/04/1050594904.db2.gz GFWYCAZGTMRFMI-ZDUSSCGKSA-N 0 3 312.363 4.046 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049016 1050601985 /nfs/dbraw/zinc/60/19/85/1050601985.db2.gz TZYVUUJJASAFCH-BDJLRTHQSA-N 0 3 313.351 4.229 20 30 DIEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC2(C#N)CCCCC2)cc1 ZINC000595090905 1050611321 /nfs/dbraw/zinc/61/13/21/1050611321.db2.gz KZOIPQMMUNPHMD-ATZDWAIDSA-N 0 3 312.457 4.251 20 30 DIEDHN CC[C@H](N[C@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097204 1050612618 /nfs/dbraw/zinc/61/26/18/1050612618.db2.gz SNYUJCZYWWUQLP-PWRODBHTSA-N 0 3 322.452 4.357 20 30 DIEDHN C[C@@H](c1nc2ccccc2s1)N(C)CCc1ccc(C#N)cc1 ZINC000595350267 1050624091 /nfs/dbraw/zinc/62/40/91/1050624091.db2.gz GIMCOCSZKPHRFC-AWEZNQCLSA-N 0 3 321.449 4.403 20 30 DIEDHN CO[C@@H](CN[C@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418955 1050632560 /nfs/dbraw/zinc/63/25/60/1050632560.db2.gz GVORYHIUJMXMDF-MOPGFXCFSA-N 0 3 300.446 4.216 20 30 DIEDHN CCc1cccc(CNCc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000845937669 1050637219 /nfs/dbraw/zinc/63/72/19/1050637219.db2.gz NFBIHTWOJZENKZ-IBGZPJMESA-N 0 3 308.425 4.220 20 30 DIEDHN C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595613863 1050657196 /nfs/dbraw/zinc/65/71/96/1050657196.db2.gz IOTULOHZCMCNJL-STQMWFEESA-N 0 3 312.335 4.272 20 30 DIEDHN CCN(Cc1cccc(F)c1F)[C@H](C)Cc1cccc(C#N)c1 ZINC001171228685 1050722987 /nfs/dbraw/zinc/72/29/87/1050722987.db2.gz HWDATVVPLGEJIQ-CQSZACIVSA-N 0 3 314.379 4.290 20 30 DIEDHN N#CCCC[C@H](NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846922369 1050783182 /nfs/dbraw/zinc/78/31/82/1050783182.db2.gz WIBXJILUTWMTGR-INIZCTEOSA-N 0 3 317.795 4.399 20 30 DIEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597020558 1050797144 /nfs/dbraw/zinc/79/71/44/1050797144.db2.gz UFLFPNKCNNNBHT-OAHLLOKOSA-N 0 3 306.409 4.140 20 30 DIEDHN CC(C)N(Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccn1 ZINC000596992064 1050797588 /nfs/dbraw/zinc/79/75/88/1050797588.db2.gz SRRJDBFDNKDSHL-UHFFFAOYSA-N 0 3 305.425 4.047 20 30 DIEDHN C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NCC(C)(C)C#N ZINC000597083208 1050805539 /nfs/dbraw/zinc/80/55/39/1050805539.db2.gz PUXZPICLLDWXGL-SNVBAGLBSA-N 0 3 318.770 4.429 20 30 DIEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085183 1050806366 /nfs/dbraw/zinc/80/63/66/1050806366.db2.gz SIPKLNLJGPTFLY-CJNGLKHVSA-N 0 3 322.374 4.405 20 30 DIEDHN N#Cc1ccc(-c2ccn(CN3CCC4(C3)CCCCC4)n2)cc1 ZINC000742167959 1050807407 /nfs/dbraw/zinc/80/74/07/1050807407.db2.gz WOIXRHDWDIFZKD-UHFFFAOYSA-N 0 3 320.440 4.035 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cc(C)c1OC(F)F ZINC000597175116 1050817568 /nfs/dbraw/zinc/81/75/68/1050817568.db2.gz WSVDIKJQRPVPLW-AWEZNQCLSA-N 0 3 308.372 4.031 20 30 DIEDHN COc1ccc(CNCc2cc3ccccc3s2)cc1C#N ZINC000742367619 1050823332 /nfs/dbraw/zinc/82/33/32/1050823332.db2.gz CZCDDWDTYBRNKZ-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000772985246 1050906932 /nfs/dbraw/zinc/90/69/32/1050906932.db2.gz UZFBCAROPDLQPC-PXNSSMCTSA-N 0 3 324.399 4.284 20 30 DIEDHN Cc1cccnc1N=NC(C)c1cc(Br)ccc1F ZINC000790193036 1050925375 /nfs/dbraw/zinc/92/53/75/1050925375.db2.gz PMODJGVRNPFEQW-UHFFFAOYSA-N 0 3 322.181 4.128 20 30 DIEDHN CC(C)P(CCNC(=O)c1cccc([C@H](C)C#N)c1)C(C)C ZINC001148628872 1050962610 /nfs/dbraw/zinc/96/26/10/1050962610.db2.gz JGYMORVXEBJACZ-OAHLLOKOSA-N 0 3 318.401 4.342 20 30 DIEDHN CCn1nc(C)c(CN(Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000350660451 1050992775 /nfs/dbraw/zinc/99/27/75/1050992775.db2.gz OIUUFRSEVUCCTC-UHFFFAOYSA-N 0 3 324.472 4.050 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000743501065 1051037768 /nfs/dbraw/zinc/03/77/68/1051037768.db2.gz CACIKFNOFKPDBH-HSMAQGNYSA-N 0 3 321.424 4.290 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000791565363 1051061950 /nfs/dbraw/zinc/06/19/50/1051061950.db2.gz BFTGGYVAICBLAG-UHFFFAOYSA-N 0 3 306.409 4.167 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106092 1051062892 /nfs/dbraw/zinc/06/28/92/1051062892.db2.gz JZYVZCFWYABEKX-RTWAWAEBSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CC#C)c2ccccc2)cc1 ZINC000773115730 1051064903 /nfs/dbraw/zinc/06/49/03/1051064903.db2.gz OMFDVFMRFJZJOT-UTKZUKDTSA-N 0 3 303.405 4.114 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117004 1051067988 /nfs/dbraw/zinc/06/79/88/1051067988.db2.gz SSRXSHWYEJWMMS-LAUBAEHRSA-N 0 3 315.420 4.288 20 30 DIEDHN C#CC[C@@H](N[C@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773118039 1051069072 /nfs/dbraw/zinc/06/90/72/1051069072.db2.gz YICULNZKTDLCMW-RTBURBONSA-N 0 3 321.420 4.263 20 30 DIEDHN C#CC[C@H](NCc1ccc(-n2ccnc2)cc1C)c1ccccc1 ZINC000792273239 1051132891 /nfs/dbraw/zinc/13/28/91/1051132891.db2.gz TWILAMRAADPTNT-NRFANRHFSA-N 0 3 315.420 4.035 20 30 DIEDHN N#Cc1cccc(N)c1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215712179 1051319218 /nfs/dbraw/zinc/31/92/18/1051319218.db2.gz AUWAJFHGXWXBRG-UHFFFAOYSA-N 0 3 324.403 4.009 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2ccc(Cl)cc2C1 ZINC001172309775 1051336151 /nfs/dbraw/zinc/33/61/51/1051336151.db2.gz WWYGQCWCCNOWOX-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN Cc1ccc(F)c(CN[C@@H](C)Cc2ccc(C#N)cc2)c1Cl ZINC001172289264 1051347310 /nfs/dbraw/zinc/34/73/10/1051347310.db2.gz AXHSLFBJWNJOKJ-ZDUSSCGKSA-N 0 3 316.807 4.380 20 30 DIEDHN CCCCCCC[C@H](CC)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001172361875 1051375309 /nfs/dbraw/zinc/37/53/09/1051375309.db2.gz OQKNSFGPPLWGIL-KRWDZBQOSA-N 0 3 322.493 4.294 20 30 DIEDHN C[C@@H](CCCC#N)NCc1csc(-c2ccc(F)cc2)n1 ZINC001172491647 1051417985 /nfs/dbraw/zinc/41/79/85/1051417985.db2.gz HWPVAMKXOKEJGF-LBPRGKRZSA-N 0 3 303.406 4.121 20 30 DIEDHN CCCCCCCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172505237 1051425022 /nfs/dbraw/zinc/42/50/22/1051425022.db2.gz KRJOHYOWYCPIHV-CVEARBPZSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCC[C@H](CCC)NCc1cc2n(n1)CCCO2 ZINC001172508934 1051426474 /nfs/dbraw/zinc/42/64/74/1051426474.db2.gz RDLRMOMMZSGJFV-INIZCTEOSA-N 0 3 307.482 4.284 20 30 DIEDHN CCCCCCC[C@H](CCC)N1CCC(S(C)(=O)=O)CC1 ZINC001172511100 1051427972 /nfs/dbraw/zinc/42/79/72/1051427972.db2.gz MXFGXEHXRCBUEG-INIZCTEOSA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCC[C@@H](CCC)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001172511769 1051428922 /nfs/dbraw/zinc/42/89/22/1051428922.db2.gz WPHWXKGBOHEGEY-SJORKVTESA-N 0 3 317.539 4.025 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000766487891 1051430109 /nfs/dbraw/zinc/43/01/09/1051430109.db2.gz NGCOTMWRYYSDEH-CYBMUJFWSA-N 0 3 317.791 4.342 20 30 DIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc(C(C)C)cs2)o1 ZINC000747193349 1051437278 /nfs/dbraw/zinc/43/72/78/1051437278.db2.gz ILINANMUPSOBSL-VXGBXAGGSA-N 0 3 302.399 4.148 20 30 DIEDHN CC[C@H](CC#N)N[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578790 1051463399 /nfs/dbraw/zinc/46/33/99/1051463399.db2.gz ROZUNVKUXZSURA-CMPLNLGQSA-N 0 3 300.780 4.221 20 30 DIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CCC[C@H](CC#N)C1 ZINC001172881228 1051562859 /nfs/dbraw/zinc/56/28/59/1051562859.db2.gz FPQKNPWSOHNWQZ-UONOGXRCSA-N 0 3 308.878 4.446 20 30 DIEDHN C[C@H]1C[C@@H](Nc2ccc(/N=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372713 1051592853 /nfs/dbraw/zinc/59/28/53/1051592853.db2.gz AGZWVJJYFXEVRN-WGKKESJJSA-N 0 3 318.424 4.440 20 30 DIEDHN N#CCCN([C@H]1CCc2ncsc2C1)C1CCCCCCC1 ZINC001173140179 1051620909 /nfs/dbraw/zinc/62/09/09/1051620909.db2.gz XEPWUOYGUZZMRN-INIZCTEOSA-N 0 3 317.502 4.329 20 30 DIEDHN C#CCCCN[C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000766728509 1051632316 /nfs/dbraw/zinc/63/23/16/1051632316.db2.gz LQIGSFHJHYDVGD-LJQANCHMSA-N 0 3 313.828 4.441 20 30 DIEDHN C[C@@H](CC(c1ccccc1)c1ccccc1)NCC1(C#N)CC1 ZINC001173212327 1051649077 /nfs/dbraw/zinc/64/90/77/1051649077.db2.gz WPEJQHJXLKZZDI-KRWDZBQOSA-N 0 3 304.437 4.490 20 30 DIEDHN CCc1ccc(C[C@@H](C)NC(=N)c2ccc3ccccc3n2)cc1 ZINC001173240891 1051673706 /nfs/dbraw/zinc/67/37/06/1051673706.db2.gz KGFKKBLUYGBYIK-OAHLLOKOSA-N 0 3 317.436 4.134 20 30 DIEDHN CCCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173285584 1051688022 /nfs/dbraw/zinc/68/80/22/1051688022.db2.gz XOAWTMJEMQKWOD-ZWKOTPCHSA-N 0 3 323.525 4.397 20 30 DIEDHN C=CCOC1CCC(N(CC(=O)c2ccccc2)C(C)C)CC1 ZINC001173323091 1051693214 /nfs/dbraw/zinc/69/32/14/1051693214.db2.gz CGUVOEJGTLKGRL-UHFFFAOYSA-N 0 3 315.457 4.094 20 30 DIEDHN N#CCC1CCC(N2Cc3ccc(Br)cc3C2)CC1 ZINC001173330487 1051694703 /nfs/dbraw/zinc/69/47/03/1051694703.db2.gz ASCCCEHOQDASAB-UHFFFAOYSA-N 0 3 319.246 4.237 20 30 DIEDHN N#CCC1CCC(NCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173334849 1051696451 /nfs/dbraw/zinc/69/64/51/1051696451.db2.gz YXVGHXQVQMVRCG-UHFFFAOYSA-N 0 3 313.376 4.043 20 30 DIEDHN C=C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000805963096 1051708480 /nfs/dbraw/zinc/70/84/80/1051708480.db2.gz QDQQLNMNKQQQHE-GOSISDBHSA-N 0 3 315.457 4.043 20 30 DIEDHN CCN(CC)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000767683460 1051835754 /nfs/dbraw/zinc/83/57/54/1051835754.db2.gz XBJUNCASXCDKOE-UHFFFAOYSA-N 0 3 307.441 4.003 20 30 DIEDHN Cc1ccc(OC2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000489803901 1051866309 /nfs/dbraw/zinc/86/63/09/1051866309.db2.gz ALQDLKCDUDDYJS-QGZVFWFLSA-N 0 3 320.436 4.471 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103515 1051882109 /nfs/dbraw/zinc/88/21/09/1051882109.db2.gz GBECUHCDGBEWHR-DYVFJYSZSA-N 0 3 300.377 4.197 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103517 1051883255 /nfs/dbraw/zinc/88/32/55/1051883255.db2.gz GBECUHCDGBEWHR-SUMWQHHRSA-N 0 3 300.377 4.197 20 30 DIEDHN C#CCN(Cc1c(C)nn(C(C)(C)C)c1C)C1CCCCC1 ZINC000769146452 1052000474 /nfs/dbraw/zinc/00/04/74/1052000474.db2.gz ZTOWMFCHJKCTGE-UHFFFAOYSA-N 0 3 301.478 4.023 20 30 DIEDHN C=C(C)CN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808691609 1052060868 /nfs/dbraw/zinc/06/08/68/1052060868.db2.gz JKOYZKKHJUUZDE-CQSZACIVSA-N 0 3 322.880 4.045 20 30 DIEDHN CCCCCCCC(=O)c1ccc(O[C@H]2CCNC[C@@H]2F)cc1 ZINC001218066522 1052192053 /nfs/dbraw/zinc/19/20/53/1052192053.db2.gz LTFUDMVEXUTMGI-HKUYNNGSSA-N 0 3 321.436 4.309 20 30 DIEDHN CC(C)(C)c1cc(C#N)ccc1O[C@H]1CNCc2ccccc21 ZINC001218489779 1052249078 /nfs/dbraw/zinc/24/90/78/1052249078.db2.gz QNOZWUMXXKZCGZ-IBGZPJMESA-N 0 3 306.409 4.079 20 30 DIEDHN N#Cc1ccc(Cl)c(Cl)c1O[C@@H]1CNCc2ccccc21 ZINC001218493101 1052249407 /nfs/dbraw/zinc/24/94/07/1052249407.db2.gz HRTJKSYVMBISIV-CQSZACIVSA-N 0 3 319.191 4.088 20 30 DIEDHN C=CCCCCCCCCC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218712424 1052254063 /nfs/dbraw/zinc/25/40/63/1052254063.db2.gz YFVZFALIPBFCQM-OAHLLOKOSA-N 0 3 319.449 4.344 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C[C@@H](N)c2ccc(C#N)cc2)cc1 ZINC001218810366 1052256658 /nfs/dbraw/zinc/25/66/58/1052256658.db2.gz ZVQRTENHDNPUAN-AUUYWEPGSA-N 0 3 321.424 4.100 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(-c2cccnc2)cc1 ZINC001218916168 1052262443 /nfs/dbraw/zinc/26/24/43/1052262443.db2.gz ZBPGCXICLSQACU-IBGZPJMESA-N 0 3 323.440 4.151 20 30 DIEDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814053 1052284605 /nfs/dbraw/zinc/28/46/05/1052284605.db2.gz HALRFQWGZVNJNR-LRDDRELGSA-N 0 3 321.262 4.331 20 30 DIEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814056 1052285003 /nfs/dbraw/zinc/28/50/03/1052285003.db2.gz HALRFQWGZVNJNR-WBMJQRKESA-N 0 3 321.262 4.331 20 30 DIEDHN CCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000487879993 1052285683 /nfs/dbraw/zinc/28/56/83/1052285683.db2.gz RJCLZQRCGFMHOH-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN C[C@H](CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000231750826 1052288588 /nfs/dbraw/zinc/28/85/88/1052288588.db2.gz MQGYEAVANYTTNL-SSDOTTSWSA-N 0 3 303.221 4.275 20 30 DIEDHN C[C@@H](CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000231751231 1052288933 /nfs/dbraw/zinc/28/89/33/1052288933.db2.gz JDTMNUVNBJINBZ-ZETCQYMHSA-N 0 3 303.221 4.275 20 30 DIEDHN CCCCSCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000915098314 1052345041 /nfs/dbraw/zinc/34/50/41/1052345041.db2.gz QVKSVLRJMBGOPF-NSHDSACASA-N 0 3 304.440 4.006 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000915113164 1052350933 /nfs/dbraw/zinc/35/09/33/1052350933.db2.gz PLRSQNARSQSJAT-QQHUYRGFSA-N 0 3 321.424 4.290 20 30 DIEDHN CCC[C@H](NCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193871746 1052508070 /nfs/dbraw/zinc/50/80/70/1052508070.db2.gz GZEARFGYLPVDKD-SFHVURJKSA-N 0 3 309.369 4.097 20 30 DIEDHN C=CCCCN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125953140 1052659288 /nfs/dbraw/zinc/65/92/88/1052659288.db2.gz ZOFSHNMNJVODKE-IBGZPJMESA-N 0 3 305.425 4.219 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916898923 1052664727 /nfs/dbraw/zinc/66/47/27/1052664727.db2.gz GNHDOTOVQRDNAG-MRXNPFEDSA-N 0 3 314.429 4.039 20 30 DIEDHN CC(C)N1CC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224091744 1052667223 /nfs/dbraw/zinc/66/72/23/1052667223.db2.gz VILKTLDGJHCUMG-UOFXHNCJSA-N 0 3 308.425 4.264 20 30 DIEDHN C=CCCCCCCO[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001224360132 1052691385 /nfs/dbraw/zinc/69/13/85/1052691385.db2.gz NLLOPFIBTJIGJI-ZWKOTPCHSA-N 0 3 302.462 4.370 20 30 DIEDHN C[C@H](c1ccccn1)N1CCC[C@@H](OCCCCCCC#N)C1 ZINC001224376682 1052692247 /nfs/dbraw/zinc/69/22/47/1052692247.db2.gz URAORGSTMTWJRL-QZTJIDSGSA-N 0 3 315.461 4.098 20 30 DIEDHN CCCCCCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224393091 1052693531 /nfs/dbraw/zinc/69/35/31/1052693531.db2.gz SSJMBYNIPVREIZ-KDURUIRLSA-N 0 3 311.510 4.397 20 30 DIEDHN C=CCCCCCO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224428303 1052696183 /nfs/dbraw/zinc/69/61/83/1052696183.db2.gz UTKBKJFWJDNIDM-MSOLQXFVSA-N 0 3 302.462 4.370 20 30 DIEDHN CC(C)(C#N)CCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128298506 1052714630 /nfs/dbraw/zinc/71/46/30/1052714630.db2.gz IFIFYSCFRSOLIZ-CQSZACIVSA-N 0 3 306.837 4.123 20 30 DIEDHN CC(C)(C#N)CCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128298278 1052714821 /nfs/dbraw/zinc/71/48/21/1052714821.db2.gz IFIFYSCFRSOLIZ-AWEZNQCLSA-N 0 3 306.837 4.123 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755160 1052945396 /nfs/dbraw/zinc/94/53/96/1052945396.db2.gz URKKDUBLMUZYHQ-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2cccs2)c([O-])c1 ZINC000920943982 1052956108 /nfs/dbraw/zinc/95/61/08/1052956108.db2.gz GHTZNXIEFVSPOH-FDIDITGRSA-N 0 3 302.443 4.480 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OC(F)F)cc1 ZINC000921488445 1052973134 /nfs/dbraw/zinc/97/31/34/1052973134.db2.gz VZTVSERVDJKQFX-UHFFFAOYSA-N 0 3 316.351 4.066 20 30 DIEDHN N#CC(C(=O)CCC1CCC1)c1nc2ccccc2n1C(F)F ZINC000175119979 1052981387 /nfs/dbraw/zinc/98/13/87/1052981387.db2.gz UDJGVWFWTRVSOY-GFCCVEGCSA-N 0 3 317.339 4.188 20 30 DIEDHN N#CC(C(=O)CCC1CCC1)C(=O)Nc1cccc2ccccc21 ZINC000175109762 1052981481 /nfs/dbraw/zinc/98/14/81/1052981481.db2.gz JRSWVKLVHLEQPJ-KRWDZBQOSA-N 0 3 320.392 4.067 20 30 DIEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1F ZINC000609916569 1052998873 /nfs/dbraw/zinc/99/88/73/1052998873.db2.gz XWSCKIZRIKOGBQ-GUYCJALGSA-N 0 3 312.363 4.214 20 30 DIEDHN Cc1cccc2c1OCC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000616094608 1053045659 /nfs/dbraw/zinc/04/56/59/1053045659.db2.gz JGUZSJPZHZVHKT-VQTJNVASSA-N 0 3 318.420 4.358 20 30 DIEDHN C=CCOc1ccc(CNC2(c3ccccc3)CC2)cc1OC ZINC000068979845 1053094025 /nfs/dbraw/zinc/09/40/25/1053094025.db2.gz WVTQZUJZVPASFI-UHFFFAOYSA-N 0 3 309.409 4.039 20 30 DIEDHN C=CCc1ccccc1O[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001228847475 1053191971 /nfs/dbraw/zinc/19/19/71/1053191971.db2.gz UMIZVBXIXBDGHU-IEBWSBKVSA-N 0 3 322.452 4.415 20 30 DIEDHN C=CCc1ccccc1O[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001228846108 1053192098 /nfs/dbraw/zinc/19/20/98/1053192098.db2.gz IDYPFMWXTAJADV-SJLPKXTDSA-N 0 3 308.425 4.024 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001319123857 1053220334 /nfs/dbraw/zinc/22/03/34/1053220334.db2.gz UVQXTHKTWBRVAD-HXUWFJFHSA-N 0 3 320.436 4.146 20 30 DIEDHN C=CCOc1cccc(CN2CCC(Nc3ccccc3)CC2)c1 ZINC001319932915 1053287224 /nfs/dbraw/zinc/28/72/24/1053287224.db2.gz IRYMYHMDOMPTTF-UHFFFAOYSA-N 0 3 322.452 4.328 20 30 DIEDHN C=C(C)C[C@H](Oc1ccc(C(=O)CCN(C)C)cc1)C(=C)C ZINC001229303525 1053296125 /nfs/dbraw/zinc/29/61/25/1053296125.db2.gz UCDUHVWPBJBGRK-IBGZPJMESA-N 0 3 301.430 4.111 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2cccc(SC(F)(F)F)c2)C1 ZINC001320040145 1053297410 /nfs/dbraw/zinc/29/74/10/1053297410.db2.gz VLPKKTJMQKYGFS-ZDUSSCGKSA-N 0 3 317.376 4.075 20 30 DIEDHN CN1CCC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229373692 1053309084 /nfs/dbraw/zinc/30/90/84/1053309084.db2.gz CWLFPGGJIOJWDR-GOSISDBHSA-N 0 3 312.388 4.049 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427565 1053333688 /nfs/dbraw/zinc/33/36/88/1053333688.db2.gz GKZBAQIHTGHYRZ-YPMHNXCESA-N 0 3 320.433 4.109 20 30 DIEDHN CCOc1cccc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)c1 ZINC001320570054 1053345409 /nfs/dbraw/zinc/34/54/09/1053345409.db2.gz ZYCJLFKQIPKTDF-YQHFOJDRSA-N 0 3 320.436 4.360 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)c(F)c1 ZINC000618742717 1053359278 /nfs/dbraw/zinc/35/92/78/1053359278.db2.gz QCQWWRSBLNPCOE-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(F)cc(Cl)c1 ZINC000618743054 1053360748 /nfs/dbraw/zinc/36/07/48/1053360748.db2.gz VHKBPHMPLUXFFN-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(F)(F)F)cc1 ZINC000618741877 1053361211 /nfs/dbraw/zinc/36/12/11/1053361211.db2.gz IOCQKAPUBAWGGG-QGZVFWFLSA-N 0 3 316.326 4.354 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCSc2ccccc21 ZINC000618801639 1053365465 /nfs/dbraw/zinc/36/54/65/1053365465.db2.gz BKFIXYHZGYPHQP-MSOLQXFVSA-N 0 3 306.434 4.372 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001320835724 1053366123 /nfs/dbraw/zinc/36/61/23/1053366123.db2.gz BLNZXCKSGASHGF-ZDUSSCGKSA-N 0 3 319.351 4.002 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ccc(Cl)cc21 ZINC000618806141 1053370088 /nfs/dbraw/zinc/37/00/88/1053370088.db2.gz PPOBNGFWRYYIHJ-MOPGFXCFSA-N 0 3 308.812 4.476 20 30 DIEDHN Cc1c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803180 1053370582 /nfs/dbraw/zinc/37/05/82/1053370582.db2.gz QMLPTQYRYWLUSD-SCLBCKFNSA-N 0 3 321.380 4.113 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2c1cc(F)cc2F ZINC000618808140 1053372323 /nfs/dbraw/zinc/37/23/23/1053372323.db2.gz ZINOUOCMCKAXMP-RBUKOAKNSA-N 0 3 310.347 4.101 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2c1cc(F)cc2F ZINC000618808135 1053373285 /nfs/dbraw/zinc/37/32/85/1053373285.db2.gz ZINOUOCMCKAXMP-MOPGFXCFSA-N 0 3 310.347 4.101 20 30 DIEDHN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807185 1053373473 /nfs/dbraw/zinc/37/34/73/1053373473.db2.gz VHASFHIOBGGLNQ-SGTLLEGYSA-N 0 3 310.372 4.044 20 30 DIEDHN C=C[C@@]1(C)CC[C@@H](Oc2ccccc2CN(C)C)C(C)(C)O1 ZINC001229702280 1053387518 /nfs/dbraw/zinc/38/75/18/1053387518.db2.gz RTWDGKVKNYQMNE-MJGOQNOKSA-N 0 3 303.446 4.029 20 30 DIEDHN CC(C)(CCC#N)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000093838561 1053457035 /nfs/dbraw/zinc/45/70/35/1053457035.db2.gz KWBOJNYMHBMRFL-CQSZACIVSA-N 0 3 306.837 4.123 20 30 DIEDHN C=CCOc1ccc(CN(C)CCc2nccs2)cc1Cl ZINC000093843736 1053457621 /nfs/dbraw/zinc/45/76/21/1053457621.db2.gz DPKHLVZVXYESON-UHFFFAOYSA-N 0 3 322.861 4.036 20 30 DIEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287066 1053472463 /nfs/dbraw/zinc/47/24/63/1053472463.db2.gz YFILQPRYNQQWRL-DOMZBBRYSA-N 0 3 310.363 4.260 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(C(F)F)c2)cc1 ZINC001324333636 1053643754 /nfs/dbraw/zinc/64/37/54/1053643754.db2.gz IWUSZZOGKJIBGU-CYBMUJFWSA-N 0 3 316.351 4.205 20 30 DIEDHN CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1 ZINC001325298728 1053710411 /nfs/dbraw/zinc/71/04/11/1053710411.db2.gz DTAVFFQFECAZNL-LIRRHRJNSA-N 0 3 312.388 4.357 20 30 DIEDHN C=C(CNCc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000620756477 1053728816 /nfs/dbraw/zinc/72/88/16/1053728816.db2.gz CUAWKCNZAPGSRV-UHFFFAOYSA-N 0 3 317.436 4.292 20 30 DIEDHN COc1cccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202917 1053738896 /nfs/dbraw/zinc/73/88/96/1053738896.db2.gz GDQPVKSYONOBDN-CABCVRRESA-N 0 3 310.397 4.009 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc(C)cc1 ZINC001231618585 1053805792 /nfs/dbraw/zinc/80/57/92/1053805792.db2.gz OPVOJDZGUMFWDV-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN COc1cc(C)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C(C)C ZINC001231627436 1053808836 /nfs/dbraw/zinc/80/88/36/1053808836.db2.gz CBLKPXKQXHZIFU-XGWQRUHWSA-N 0 3 312.457 4.394 20 30 DIEDHN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271505858 1053817504 /nfs/dbraw/zinc/81/75/04/1053817504.db2.gz RLMIGIFZRWUWRD-HOTGVXAUSA-N 0 3 324.424 4.318 20 30 DIEDHN CCN(Cc1ccc(F)cc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116523 1053966330 /nfs/dbraw/zinc/96/63/30/1053966330.db2.gz MOPOKNHZVZPDAW-UHFFFAOYSA-N 0 3 302.780 4.373 20 30 DIEDHN C[C@H](NCc1cccc(OCC#N)c1)c1cccc(C2CC2)c1 ZINC001330361248 1054035479 /nfs/dbraw/zinc/03/54/79/1054035479.db2.gz GRHCZMSZLWOTPV-HNNXBMFYSA-N 0 3 306.409 4.317 20 30 DIEDHN N#Cc1cccc(C2CCN(Cc3cc4ccoc4cn3)CC2)c1 ZINC001232553322 1054069310 /nfs/dbraw/zinc/06/93/10/1054069310.db2.gz OHCDCPSLPPHODE-UHFFFAOYSA-N 0 3 317.392 4.079 20 30 DIEDHN CCCCCCCCCCN(C)Cc1ccnc(C(=O)OC)c1 ZINC001232773719 1054119252 /nfs/dbraw/zinc/11/92/52/1054119252.db2.gz AYYZEQMODYAQDX-UHFFFAOYSA-N 0 3 320.477 4.441 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888829 1054140734 /nfs/dbraw/zinc/14/07/34/1054140734.db2.gz SIDLDWZIDDBOPC-OAHLLOKOSA-N 0 3 309.388 4.013 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cncc(-c2ccccc2)c1 ZINC001232900653 1054144832 /nfs/dbraw/zinc/14/48/32/1054144832.db2.gz CFOBWBCLRNBKLR-ILKSOTCGSA-N 0 3 303.409 4.015 20 30 DIEDHN C=CCCCCCN[C@H](C)c1nc(Br)cs1 ZINC000848560348 1054149427 /nfs/dbraw/zinc/14/94/27/1054149427.db2.gz LRIHLJKIYXDXPW-SNVBAGLBSA-N 0 3 303.269 4.303 20 30 DIEDHN C=C(C)CN(CCCC(F)(F)F)Cc1cnn(C(C)C)c1 ZINC001335500773 1054219793 /nfs/dbraw/zinc/21/97/93/1054219793.db2.gz UUGHXSVKIBJEEB-UHFFFAOYSA-N 0 3 303.372 4.185 20 30 DIEDHN CCCCCCCN(CC)Cc1cc(C(=O)OCC)ccn1 ZINC001233325830 1054232859 /nfs/dbraw/zinc/23/28/59/1054232859.db2.gz FILIKMTYNLSEML-UHFFFAOYSA-N 0 3 306.450 4.051 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cc(F)c(F)cc1N ZINC001233380847 1054257940 /nfs/dbraw/zinc/25/79/40/1054257940.db2.gz GQMXEFVAWOAPQX-UHFFFAOYSA-N 0 3 302.368 4.125 20 30 DIEDHN C=CCN(Cc1cn2c(cccc2Cl)n1)C1CCCCC1 ZINC001233609442 1054311047 /nfs/dbraw/zinc/31/10/47/1054311047.db2.gz WCXRURDXSPUPHF-UHFFFAOYSA-N 0 3 303.837 4.308 20 30 DIEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cc(C#N)ccc1F ZINC001339118818 1054323952 /nfs/dbraw/zinc/32/39/52/1054323952.db2.gz SRBHLXKKCAKRMF-BLLLJJGKSA-N 0 3 310.372 4.050 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccccc1)C(C)(C)CO ZINC001341392971 1054385367 /nfs/dbraw/zinc/38/53/67/1054385367.db2.gz NTCOPVOXSVHLDY-HXUWFJFHSA-N 0 3 322.452 4.025 20 30 DIEDHN N#CC(C(=O)C1=C(c2ccccc2)CCCC1)c1cccc(F)n1 ZINC001342697536 1054428351 /nfs/dbraw/zinc/42/83/51/1054428351.db2.gz FRVCVABKWJVNRI-KRWDZBQOSA-N 0 3 320.367 4.425 20 30 DIEDHN C=C[C@H](Oc1c(F)cc(CN(C)C)cc1OC)c1ccccc1 ZINC001234240107 1054470059 /nfs/dbraw/zinc/47/00/59/1054470059.db2.gz BXDJWHPVIPRDSZ-KRWDZBQOSA-N 0 3 315.388 4.202 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C1=C(c2ccccc2)CCCC1 ZINC001344874717 1054481864 /nfs/dbraw/zinc/48/18/64/1054481864.db2.gz FWTFBKMFIIDTEC-SFHVURJKSA-N 0 3 319.408 4.107 20 30 DIEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345622007 1054504835 /nfs/dbraw/zinc/50/48/35/1054504835.db2.gz SLNKWYHXWFFHGK-IUODEOHRSA-N 0 3 314.335 4.038 20 30 DIEDHN CCC[C@H](C(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346001115 1054523531 /nfs/dbraw/zinc/52/35/31/1054523531.db2.gz VYJWCUVMCQZQIG-GJZGRUSLSA-N 0 3 314.335 4.120 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001346096439 1054528468 /nfs/dbraw/zinc/52/84/68/1054528468.db2.gz QGSVVQUOZOFMQA-KURKYZTESA-N 0 3 321.424 4.053 20 30 DIEDHN C=CCN(C)Cc1cc(OCc2ccccc2)c(OC)cc1C ZINC001234510095 1054539209 /nfs/dbraw/zinc/53/92/09/1054539209.db2.gz QPZJXEFVABIOKA-UHFFFAOYSA-N 0 3 311.425 4.200 20 30 DIEDHN N#CC(C(=O)C1CCCCCC1)c1nccn1Cc1ccccc1 ZINC001346536872 1054539734 /nfs/dbraw/zinc/53/97/34/1054539734.db2.gz BYSLIOAGNQBTHC-GOSISDBHSA-N 0 3 321.424 4.078 20 30 DIEDHN COc1ccc2ccc([O-])c(C[N@H+](CCC#N)C3CCCC3)c2c1 ZINC001234552869 1054547605 /nfs/dbraw/zinc/54/76/05/1054547605.db2.gz MNQKMRUSYSSLLJ-UHFFFAOYSA-N 0 3 324.424 4.212 20 30 DIEDHN COc1ccc2ccc([O-])c(C[N@@H+](CCC#N)C3CCCC3)c2c1 ZINC001234552869 1054547618 /nfs/dbraw/zinc/54/76/18/1054547618.db2.gz MNQKMRUSYSSLLJ-UHFFFAOYSA-N 0 3 324.424 4.212 20 30 DIEDHN Cc1ccc2nccc(NCc3ccc(OCC#N)cc3)c2c1 ZINC000185621558 1054599338 /nfs/dbraw/zinc/59/93/38/1054599338.db2.gz ZVZHSAFSJMMAID-UHFFFAOYSA-N 0 3 303.365 4.058 20 30 DIEDHN CCOc1cccc(CNCc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000073012181 1054614550 /nfs/dbraw/zinc/61/45/50/1054614550.db2.gz JAKJZUSBXIGJTG-GOSISDBHSA-N 0 3 324.424 4.056 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(F)cc2C)c1 ZINC000073012611 1054615034 /nfs/dbraw/zinc/61/50/34/1054615034.db2.gz ANWCHTWBDMSRNC-GOSISDBHSA-N 0 3 312.388 4.105 20 30 DIEDHN C=CCC[C@H](NCc1cnn(C)c1C(F)(F)F)c1ccccc1 ZINC000180050744 1054727848 /nfs/dbraw/zinc/72/78/48/1054727848.db2.gz GYOPNHMQDKJOKG-HNNXBMFYSA-N 0 3 323.362 4.236 20 30 DIEDHN C#C[C@](C)(CC)NCc1ccc(OC)c(SC(F)(F)F)c1 ZINC001473489021 1054730895 /nfs/dbraw/zinc/73/08/95/1054730895.db2.gz VOQRTTMBROUTCM-CQSZACIVSA-N 0 3 317.376 4.199 20 30 DIEDHN COc1cccc([C@@H]2CCCCN2Cc2ccccc2CC#N)c1 ZINC001235522197 1054735838 /nfs/dbraw/zinc/73/58/38/1054735838.db2.gz ASMPWGJFUQHXJW-NRFANRHFSA-N 0 3 320.436 4.488 20 30 DIEDHN CCCCCCCCCN1CCOC[C@H]1CC1CCOCC1 ZINC001473862902 1054762236 /nfs/dbraw/zinc/76/22/36/1054762236.db2.gz OMPBWOHBWSRSST-LJQANCHMSA-N 0 3 311.510 4.255 20 30 DIEDHN N#Cc1ccc(-c2cccc(CN3CCCCC3)c2F)c(C#N)c1 ZINC001236015309 1054896312 /nfs/dbraw/zinc/89/63/12/1054896312.db2.gz OTDBZYPHVAUKCP-UHFFFAOYSA-N 0 3 319.383 4.222 20 30 DIEDHN Cc1nccc(-c2cccc(CN3CCCCC3)c2F)c1C#N ZINC001236022381 1054900474 /nfs/dbraw/zinc/90/04/74/1054900474.db2.gz YCHIJAZJYNOPOS-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1Cl ZINC000112525768 1055106723 /nfs/dbraw/zinc/10/67/23/1055106723.db2.gz KVNCFPQHICUFRU-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN Cc1cc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ncc1C#N ZINC001236469256 1055129325 /nfs/dbraw/zinc/12/93/25/1055129325.db2.gz HXFYUJJNKXWKOV-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(Br)s1 ZINC000381381887 1055163633 /nfs/dbraw/zinc/16/36/33/1055163633.db2.gz LOHSWEFDVLWHMI-VIFPVBQESA-N 0 3 301.253 4.101 20 30 DIEDHN COc1ccc2sc(CN(C)Cc3ccc(C#N)cc3)cc2c1 ZINC001236664980 1055221176 /nfs/dbraw/zinc/22/11/76/1055221176.db2.gz XFHQBBUQXPQBLB-UHFFFAOYSA-N 0 3 322.433 4.414 20 30 DIEDHN C=CCN(C)Cc1ccc(C(F)(F)F)c(Br)c1 ZINC001236717372 1055239226 /nfs/dbraw/zinc/23/92/26/1055239226.db2.gz DXRGSMNIDLWVGN-UHFFFAOYSA-N 0 3 308.141 4.086 20 30 DIEDHN C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2cc1[O-] ZINC001236842562 1055288142 /nfs/dbraw/zinc/28/81/42/1055288142.db2.gz XQHDCSDYBOBGAZ-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2cc1[O-] ZINC001236842562 1055288154 /nfs/dbraw/zinc/28/81/54/1055288154.db2.gz XQHDCSDYBOBGAZ-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(-c2ccncc2)c1 ZINC000765015133 1055317192 /nfs/dbraw/zinc/31/71/92/1055317192.db2.gz PSMKLVDBCSMEFS-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN SC1CCN(Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001237008881 1055337406 /nfs/dbraw/zinc/33/74/06/1055337406.db2.gz MPLDIKLKBIJXNF-UHFFFAOYSA-N 0 3 318.873 4.296 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(OC(C)(C)C)c1 ZINC001237106426 1055371029 /nfs/dbraw/zinc/37/10/29/1055371029.db2.gz QQITYRXJZJBURQ-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2nccc(Cl)c2c1 ZINC001237270291 1055413013 /nfs/dbraw/zinc/41/30/13/1055413013.db2.gz QCVUPQWVINSHCC-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN CCCCCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001537815772 1055447879 /nfs/dbraw/zinc/44/78/79/1055447879.db2.gz XVHMBXPJJVUFNY-QFBILLFUSA-N 0 3 304.478 4.155 20 30 DIEDHN CCCCN(CCC#N)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237882352 1055547340 /nfs/dbraw/zinc/54/73/40/1055547340.db2.gz PEGHQHFNKLCVFX-UHFFFAOYSA-N 0 3 311.473 4.204 20 30 DIEDHN C=CCN(Cc1[nH]c(-c2ccc[nH]2)cc1OC)C1CCCCC1 ZINC001237880287 1055549080 /nfs/dbraw/zinc/54/90/80/1055549080.db2.gz NVVNPSNHFBBINB-UHFFFAOYSA-N 0 3 313.445 4.339 20 30 DIEDHN C#CCOc1ccc(CNCc2c3ccccc3oc2CC)cc1 ZINC001620942188 1055554988 /nfs/dbraw/zinc/55/49/88/1055554988.db2.gz WWFGGZRBZRRCSZ-UHFFFAOYSA-N 0 3 319.404 4.297 20 30 DIEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001168553785 1055573073 /nfs/dbraw/zinc/57/30/73/1055573073.db2.gz XAMKXBWBACDGMP-SCVCMEIPSA-N 0 3 314.763 4.284 20 30 DIEDHN CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191537 1055617657 /nfs/dbraw/zinc/61/76/57/1055617657.db2.gz NEMKEBOJDHBPMP-UHFFFAOYSA-N 0 3 302.780 4.373 20 30 DIEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccccc3)C2)ccc1Cl ZINC001238195059 1055618841 /nfs/dbraw/zinc/61/88/41/1055618841.db2.gz ZMGYVUFRJHENAO-KRWDZBQOSA-N 0 3 310.828 4.276 20 30 DIEDHN CCN(Cc1cccc(Cl)c1)Cc1ccc(C#N)c(OC)c1 ZINC001238412219 1055654050 /nfs/dbraw/zinc/65/40/50/1055654050.db2.gz APKIZVKDXOFWIL-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN Cc1ccc(OC(C)C)cc1CN(C)Cc1ccc(C#N)cc1 ZINC001238487224 1055671918 /nfs/dbraw/zinc/67/19/18/1055671918.db2.gz YEPJYZUBJWLZAH-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN C=C(C)CN(CC)Cc1cncc(-c2ccc(F)cc2OC)c1 ZINC001238549420 1055682051 /nfs/dbraw/zinc/68/20/51/1055682051.db2.gz VOBQNJVWASZNEU-UHFFFAOYSA-N 0 3 314.404 4.294 20 30 DIEDHN Cc1cccc2c1OCC[C@H]2NCc1c(C)cc(C#N)cc1C ZINC000921630874 1055684135 /nfs/dbraw/zinc/68/41/35/1055684135.db2.gz BIRZMDVMABRGIK-LJQANCHMSA-N 0 3 306.409 4.097 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](C#N)CC2)cc(C)c1OC(C)C ZINC001238751654 1055740721 /nfs/dbraw/zinc/74/07/21/1055740721.db2.gz IUVFUTVSTXOEID-QGZVFWFLSA-N 0 3 300.446 4.216 20 30 DIEDHN CCCCCCC[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001597032959 1055779588 /nfs/dbraw/zinc/77/95/88/1055779588.db2.gz UMODBXBXVRCWCR-ZWKOTPCHSA-N 0 3 310.526 4.364 20 30 DIEDHN CCCCCCCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001597081441 1055783388 /nfs/dbraw/zinc/78/33/88/1055783388.db2.gz LIIHKOZINZTCMW-UHFFFAOYSA-N 0 3 310.526 4.317 20 30 DIEDHN C=CCCCCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC001568784673 1055846352 /nfs/dbraw/zinc/84/63/52/1055846352.db2.gz CAZJPRHPIVYKRB-UHFFFAOYSA-N 0 3 314.473 4.149 20 30 DIEDHN N#Cc1ccc(/C=C/c2ccc(CN3CCCCC3)cn2)cc1 ZINC001239304361 1055862570 /nfs/dbraw/zinc/86/25/70/1055862570.db2.gz POFNCRVFAXWPES-CSKARUKUSA-N 0 3 303.409 4.110 20 30 DIEDHN CCCCCCCCCOC(=O)Nc1cnc2c(c1)CNCC2 ZINC001239311789 1055864466 /nfs/dbraw/zinc/86/44/66/1055864466.db2.gz WDHMVRUDFYZUOO-UHFFFAOYSA-N 0 3 319.449 4.026 20 30 DIEDHN C=CCCSCCNCc1cccc(F)c1OC(F)(F)F ZINC001620998283 1055967690 /nfs/dbraw/zinc/96/76/90/1055967690.db2.gz RZDAKYDSBAHYQC-UHFFFAOYSA-N 0 3 323.355 4.123 20 30 DIEDHN CC[C@@](C)(NCc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC001621030195 1055993567 /nfs/dbraw/zinc/99/35/67/1055993567.db2.gz XTKJRDFSEHYANY-LJQANCHMSA-N 0 3 312.388 4.121 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC001620800056 1055994902 /nfs/dbraw/zinc/99/49/02/1055994902.db2.gz WLOYQIZBUOSYIW-MRXNPFEDSA-N 0 3 322.330 4.387 20 30 DIEDHN C=CC[C@@H](NCc1cc(C)c2ncccc2c1)c1ccncc1 ZINC001620800140 1055995258 /nfs/dbraw/zinc/99/52/58/1055995258.db2.gz YSINRKQBOYNWNO-LJQANCHMSA-N 0 3 303.409 4.345 20 30 DIEDHN CCCCCCCCCC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001583169859 1056031398 /nfs/dbraw/zinc/03/13/98/1056031398.db2.gz KMZWYESWDKEQDT-UHFFFAOYSA-N 0 3 310.526 4.460 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000131516260 1056063926 /nfs/dbraw/zinc/06/39/26/1056063926.db2.gz HRYKUBHCGKPTLI-PXAZEXFGSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000131516260 1056063935 /nfs/dbraw/zinc/06/39/35/1056063935.db2.gz HRYKUBHCGKPTLI-PXAZEXFGSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000131516395 1056064039 /nfs/dbraw/zinc/06/40/39/1056064039.db2.gz HRYKUBHCGKPTLI-SJCJKPOMSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000131516395 1056064043 /nfs/dbraw/zinc/06/40/43/1056064043.db2.gz HRYKUBHCGKPTLI-SJCJKPOMSA-N 0 3 324.380 4.063 20 30 DIEDHN N#Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cs1 ZINC000921685125 1056266227 /nfs/dbraw/zinc/26/62/27/1056266227.db2.gz UHYAEIQILYKHSM-QGZVFWFLSA-N 0 3 300.402 4.390 20 30 DIEDHN C=CCOc1ccccc1CN[C@H](CC)c1ccc2c(c1)CCO2 ZINC000765908521 1056380866 /nfs/dbraw/zinc/38/08/66/1056380866.db2.gz OQGLRHOPECXNFX-LJQANCHMSA-N 0 3 323.436 4.427 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)cc1F ZINC000404675226 1056409855 /nfs/dbraw/zinc/40/98/55/1056409855.db2.gz FXCBXVGOJYBKIO-LJQANCHMSA-N 0 3 319.383 4.346 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000404696957 1056411932 /nfs/dbraw/zinc/41/19/32/1056411932.db2.gz WLWOYKWZLBMGFU-AWEZNQCLSA-N 0 3 308.400 4.427 20 30 DIEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000361507924 1056442380 /nfs/dbraw/zinc/44/23/80/1056442380.db2.gz HECBCTGBEYJJDG-GFCCVEGCSA-N 0 3 321.346 4.109 20 30 DIEDHN N#CCc1ccc(F)c(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240387506 1056468567 /nfs/dbraw/zinc/46/85/67/1056468567.db2.gz UBXNAQGFHLTFTE-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN N#CCc1cc(F)cc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC001240389089 1056473882 /nfs/dbraw/zinc/47/38/82/1056473882.db2.gz VJNRUMSCCZBJIU-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C=CCCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001615523877 1056525325 /nfs/dbraw/zinc/52/53/25/1056525325.db2.gz JQDWGMDZKNVNJF-HOTGVXAUSA-N 0 3 310.482 4.063 20 30 DIEDHN C=CCCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001615523878 1056527445 /nfs/dbraw/zinc/52/74/45/1056527445.db2.gz JQDWGMDZKNVNJF-HZPDHXFCSA-N 0 3 310.482 4.063 20 30 DIEDHN CCCCCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC001585355242 1056537841 /nfs/dbraw/zinc/53/78/41/1056537841.db2.gz VYBKFTDJSNTTEX-UHFFFAOYSA-N 0 3 316.445 4.195 20 30 DIEDHN C=C(C)CCN1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001616003665 1056605712 /nfs/dbraw/zinc/60/57/12/1056605712.db2.gz QZJWSKXLBXNFLD-GOSISDBHSA-N 0 3 311.429 4.188 20 30 DIEDHN COCCCC[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000922075748 1056785379 /nfs/dbraw/zinc/78/53/79/1056785379.db2.gz FFPXTWIJCGBQEO-SFHVURJKSA-N 0 3 314.454 4.267 20 30 DIEDHN N#CCCC[C@H](NCc1cccc2c1OCC2)c1ccccc1 ZINC000922144472 1056845563 /nfs/dbraw/zinc/84/55/63/1056845563.db2.gz DYHQWZAKBPUEFF-IBGZPJMESA-N 0 3 306.409 4.146 20 30 DIEDHN CC(C)N(Cc1cc(C#N)ccc1Br)CC1CCC1 ZINC001617591153 1056852641 /nfs/dbraw/zinc/85/26/41/1056852641.db2.gz UMRALSLENHRKBG-UHFFFAOYSA-N 0 3 321.262 4.331 20 30 DIEDHN CN(CCOc1ccccc1C(C)(C)C)CCC(C)(C)C#N ZINC001617598398 1056855100 /nfs/dbraw/zinc/85/51/00/1056855100.db2.gz ZRCJYXSYQNVAOS-UHFFFAOYSA-N 0 3 302.462 4.235 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2cc(C)ccc2C)CCCC1(C)C ZINC001617603661 1056855938 /nfs/dbraw/zinc/85/59/38/1056855938.db2.gz BHBGMYBKPWLXIR-GOSISDBHSA-N 0 3 314.473 4.309 20 30 DIEDHN CCCCCCCCOc1ccc(-c2cc(CN)ncn2)cc1 ZINC001241126802 1056911533 /nfs/dbraw/zinc/91/15/33/1056911533.db2.gz GGVARIGFFCTZMQ-UHFFFAOYSA-N 0 3 313.445 4.342 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000011038254 1056939263 /nfs/dbraw/zinc/93/92/63/1056939263.db2.gz WPMMLVBZYPWGNL-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)c(C)c1 ZINC000922225362 1056981909 /nfs/dbraw/zinc/98/19/09/1056981909.db2.gz ZBCJTWOXXZPEFG-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN COc1cc(C#N)ccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001241409043 1057044250 /nfs/dbraw/zinc/04/42/50/1057044250.db2.gz UCCWEXZSZVSXSM-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)o1)[C@@H]1CCCc2cccnc21 ZINC000155219804 1057045723 /nfs/dbraw/zinc/04/57/23/1057045723.db2.gz MHCDXUNLEDEVJY-GOSISDBHSA-N 0 3 309.413 4.082 20 30 DIEDHN CC1(C=Nn2cnnc2SCc2ccc(Cl)cc2)CCC1 ZINC000766002690 1057069364 /nfs/dbraw/zinc/06/93/64/1057069364.db2.gz PQNFHBBJVRQPSA-UHFFFAOYSA-N 0 3 320.849 4.248 20 30 DIEDHN N#CCc1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1 ZINC001241504154 1057073142 /nfs/dbraw/zinc/07/31/42/1057073142.db2.gz PGESLBSPYASQCB-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN N#CCOc1cc(F)ccc1C1=CCN(Cc2ccccc2)CC1 ZINC001241504168 1057073345 /nfs/dbraw/zinc/07/33/45/1057073345.db2.gz PSUZORTVGICQLY-UHFFFAOYSA-N 0 3 322.383 4.017 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018249 1057108687 /nfs/dbraw/zinc/10/86/87/1057108687.db2.gz GUWCEDNLYLHDAC-HUUCEWRRSA-N 0 3 313.470 4.385 20 30 DIEDHN C=CC[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019256 1057113564 /nfs/dbraw/zinc/11/35/64/1057113564.db2.gz LFCNEFDSOXXGRD-MSOLQXFVSA-N 0 3 311.385 4.348 20 30 DIEDHN C=CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019267 1057113570 /nfs/dbraw/zinc/11/35/70/1057113570.db2.gz LFCNEFDSOXXGRD-ZWKOTPCHSA-N 0 3 311.385 4.348 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020584 1057117300 /nfs/dbraw/zinc/11/73/00/1057117300.db2.gz QNOVFEWKQKREJJ-CXAGYDPISA-N 0 3 300.377 4.197 20 30 DIEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000625702376 1057192590 /nfs/dbraw/zinc/19/25/90/1057192590.db2.gz FCCHGVPFGMEINS-KRWDZBQOSA-N 0 3 320.436 4.190 20 30 DIEDHN C=C(C)CCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC001128771624 1057264827 /nfs/dbraw/zinc/26/48/27/1057264827.db2.gz MQBVLCAHLYDKPX-KRWDZBQOSA-N 0 3 322.880 4.195 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccc(OC(C)C)cc2)cc1C#N ZINC000172688414 1057265933 /nfs/dbraw/zinc/26/59/33/1057265933.db2.gz QEFOGXADHLWLEC-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN CCN(CC)Cc1ccc(F)c(C2=CC(=O)CC(C)(C)C2)c1 ZINC001242317895 1057332630 /nfs/dbraw/zinc/33/26/30/1057332630.db2.gz GHCMUCCYWAIBCQ-UHFFFAOYSA-N 0 3 303.421 4.440 20 30 DIEDHN C[C@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 ZINC000174329510 1057357716 /nfs/dbraw/zinc/35/77/16/1057357716.db2.gz UNRWYKAOBPUZMM-SNVBAGLBSA-N 0 3 309.196 4.179 20 30 DIEDHN C=C(CN[C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000675781883 1057413229 /nfs/dbraw/zinc/41/32/29/1057413229.db2.gz FSWHKMMCFZBGDL-SFHVURJKSA-N 0 3 317.436 4.295 20 30 DIEDHN CCCN(Cc1ccc(C#N)s1)Cc1ccc(OC)cc1 ZINC000611255658 1057587330 /nfs/dbraw/zinc/58/73/30/1057587330.db2.gz CWHMRAGHANOWNA-UHFFFAOYSA-N 0 3 300.427 4.041 20 30 DIEDHN CC(C)CN(Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611257875 1057587900 /nfs/dbraw/zinc/58/79/00/1057587900.db2.gz XHHOJOHMVKICGZ-UHFFFAOYSA-N 0 3 318.424 4.093 20 30 DIEDHN CC(C)CN(Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611257875 1057587905 /nfs/dbraw/zinc/58/79/05/1057587905.db2.gz XHHOJOHMVKICGZ-UHFFFAOYSA-N 0 3 318.424 4.093 20 30 DIEDHN C[C@@H]1C[C@@H]1[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434122 1057599305 /nfs/dbraw/zinc/59/93/05/1057599305.db2.gz PADNPMBSGUBUBL-OCBCSQNSSA-N 0 3 311.816 4.094 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccccc2OCC#N)ccc1F ZINC001243587548 1057725592 /nfs/dbraw/zinc/72/55/92/1057725592.db2.gz XNEASECRFNDOQN-UHFFFAOYSA-N 0 3 312.388 4.237 20 30 DIEDHN C[NH+]1CCC(c2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc2)CC1 ZINC001243657392 1057745615 /nfs/dbraw/zinc/74/56/15/1057745615.db2.gz PCVWBZZIPNBBIT-FYJGNVAPSA-N 0 3 312.388 4.110 20 30 DIEDHN COc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)c(C#N)c1 ZINC001243732841 1057765492 /nfs/dbraw/zinc/76/54/92/1057765492.db2.gz ZDHPTEZWISGMBZ-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN CC[C@@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732901144 1057791809 /nfs/dbraw/zinc/79/18/09/1057791809.db2.gz KBDYHPHCCNOCBZ-JKSUJKDBSA-N 0 3 318.376 4.273 20 30 DIEDHN N#Cc1ccc(F)c(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001244557857 1057995637 /nfs/dbraw/zinc/99/56/37/1057995637.db2.gz AVXSPFMOBQXROY-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CC(C)[C@H](C#N)c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001245426012 1058164742 /nfs/dbraw/zinc/16/47/42/1058164742.db2.gz LQPILRJTEVPKCE-SFTDATJTSA-N 0 3 324.468 4.218 20 30 DIEDHN N#CC(C(=O)CC1CCCCC1)c1nccn1Cc1ccccc1 ZINC001516637384 1058185255 /nfs/dbraw/zinc/18/52/55/1058185255.db2.gz MUGKVGMMMIFGRO-SFHVURJKSA-N 0 3 321.424 4.078 20 30 DIEDHN CCCCCCCN1CC2(CCN2CCCC(F)(F)F)C1 ZINC001278435103 1058731408 /nfs/dbraw/zinc/73/14/08/1058731408.db2.gz FDQFFPKUPZGWGQ-UHFFFAOYSA-N 0 3 306.416 4.059 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001531541245 1059349906 /nfs/dbraw/zinc/34/99/06/1059349906.db2.gz XVQVERBSQMZVPY-ROUUACIJSA-N 0 3 310.526 4.316 20 30 DIEDHN CCC#C[C@@H](C)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001559556161 1059372664 /nfs/dbraw/zinc/37/26/64/1059372664.db2.gz UCEMLYXGIQKXKR-CQSZACIVSA-N 0 3 320.274 4.214 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001531655710 1059384134 /nfs/dbraw/zinc/38/41/34/1059384134.db2.gz GODICBGQTZEWED-PXNSSMCTSA-N 0 3 322.537 4.364 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C)c(F)c1 ZINC001559680957 1059509119 /nfs/dbraw/zinc/50/91/19/1059509119.db2.gz RJXRQTKSPAMSIN-GOSISDBHSA-N 0 3 300.352 4.386 20 30 DIEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C)c(F)c1 ZINC001559709041 1059538368 /nfs/dbraw/zinc/53/83/68/1059538368.db2.gz ONYKCBSGWSWAPE-IBGZPJMESA-N 0 3 312.388 4.277 20 30 DIEDHN Cc1ccc(CN[C@H](C)c2ccc3ncsc3c2)cc1C#N ZINC001559769155 1059603674 /nfs/dbraw/zinc/60/36/74/1059603674.db2.gz TXCQNIODTIMEIU-CYBMUJFWSA-N 0 3 307.422 4.327 20 30 DIEDHN CCCCCCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001559781707 1059616663 /nfs/dbraw/zinc/61/66/63/1059616663.db2.gz OPRQTMDKWCXELR-QGZVFWFLSA-N 0 3 304.478 4.108 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2ccc(C)cc2C)CCCC1(C)C ZINC001559797070 1059631299 /nfs/dbraw/zinc/63/12/99/1059631299.db2.gz FSXWKEJQEIKJDQ-GOSISDBHSA-N 0 3 314.473 4.309 20 30 DIEDHN C=CCN(C)CCN(CC)Cc1nc(C2CCCCC2)cs1 ZINC001559796538 1059633683 /nfs/dbraw/zinc/63/36/83/1059633683.db2.gz NLZAPWNJGNLPMG-UHFFFAOYSA-N 0 3 321.534 4.131 20 30 DIEDHN CCCC1CCC(N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001559807395 1059644528 /nfs/dbraw/zinc/64/45/28/1059644528.db2.gz BUZXUOXFGWQFKN-UHFFFAOYSA-N 0 3 315.417 4.257 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCCCCCCC1 ZINC001559841544 1059671147 /nfs/dbraw/zinc/67/11/47/1059671147.db2.gz NFWPTXAQCUGYBT-UHFFFAOYSA-N 0 3 306.837 4.399 20 30 DIEDHN CC[C@H](c1ccccc1OC)N(C)CCOc1ccccc1C#N ZINC001559879428 1059699558 /nfs/dbraw/zinc/69/95/58/1059699558.db2.gz JGSIHHRQWZALQS-GOSISDBHSA-N 0 3 324.424 4.029 20 30 DIEDHN CCCCCCCCN(C)Cc1cnn2ccc(Cl)nc12 ZINC001248876574 1060031657 /nfs/dbraw/zinc/03/16/57/1060031657.db2.gz YHERZPBMNOWIFU-UHFFFAOYSA-N 0 3 308.857 4.175 20 30 DIEDHN C#CCOc1ccccc1CNC/C=C/c1cc(C)c(C)cc1C ZINC001560338280 1060122484 /nfs/dbraw/zinc/12/24/84/1060122484.db2.gz RHKZYSDKPAYEDZ-CSKARUKUSA-N 0 3 319.448 4.427 20 30 DIEDHN C=CCCCNCc1c(F)c(Cl)ccc1Br ZINC001560461639 1060197052 /nfs/dbraw/zinc/19/70/52/1060197052.db2.gz NPXFMUKNIJOAHS-UHFFFAOYSA-N 0 3 306.606 4.297 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC[C@@H]3c3ccccc3)[nH]c2c1 ZINC001249429040 1060248399 /nfs/dbraw/zinc/24/83/99/1060248399.db2.gz KTXFHHSXFPLQTP-HXUWFJFHSA-N 0 3 301.393 4.377 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC[C@@H]3c3cccs3)[nH]c2c1 ZINC001249429064 1060249026 /nfs/dbraw/zinc/24/90/26/1060249026.db2.gz MBWUJEZFFQHPBP-QGZVFWFLSA-N 0 3 307.422 4.438 20 30 DIEDHN COc1cc(CNCc2cccc(CC3CCC3)c2)ccc1C#N ZINC001560463701 1060254261 /nfs/dbraw/zinc/25/42/61/1060254261.db2.gz BBCIKASMIAQAAK-UHFFFAOYSA-N 0 3 320.436 4.199 20 30 DIEDHN N#Cc1ccc(CNC2(Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC001560473381 1060263058 /nfs/dbraw/zinc/26/30/58/1060263058.db2.gz IHRAZSRKFZFBCE-UHFFFAOYSA-N 0 3 314.791 4.216 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1 ZINC001560477650 1060266797 /nfs/dbraw/zinc/26/67/97/1060266797.db2.gz SBCGPLFCKARZLO-UHFFFAOYSA-N 0 3 319.326 4.065 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H](Cc3ccccc3)C2)c1F ZINC001249685773 1060347884 /nfs/dbraw/zinc/34/78/84/1060347884.db2.gz QUJKMMSJKHKDNI-QGZVFWFLSA-N 0 3 308.400 4.152 20 30 DIEDHN CCCCCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC001527132888 1060445589 /nfs/dbraw/zinc/44/55/89/1060445589.db2.gz BQTBABIQFXYKLW-GOSISDBHSA-N 0 3 316.489 4.257 20 30 DIEDHN COc1cc(CN(C)Cc2ccc(C(C)C)cc2)ccc1C#N ZINC001560634606 1060447321 /nfs/dbraw/zinc/44/73/21/1060447321.db2.gz CFWPEADXMLGOBI-UHFFFAOYSA-N 0 3 308.425 4.322 20 30 DIEDHN C=CC[C@H]1N(Cc2cc(F)c(OC)cc2OC)CCCC1(C)C ZINC001560793194 1060653602 /nfs/dbraw/zinc/65/36/02/1060653602.db2.gz IBAMNAPQXBRRFW-GOSISDBHSA-N 0 3 321.436 4.410 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC001560803190 1060664115 /nfs/dbraw/zinc/66/41/15/1060664115.db2.gz OXEQCWMTZKHNSG-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN N#Cc1c(F)cccc1CNCCc1cc2ccccc2s1 ZINC001560858134 1060717860 /nfs/dbraw/zinc/71/78/60/1060717860.db2.gz NFMKSIWAKCGQNZ-UHFFFAOYSA-N 0 3 310.397 4.244 20 30 DIEDHN C#C[C@@H](NCCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC001560865011 1060725780 /nfs/dbraw/zinc/72/57/80/1060725780.db2.gz NVPFWTDUJKHBDR-QGZVFWFLSA-N 0 3 305.755 4.125 20 30 DIEDHN N#Cc1ccc(F)c(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001250635216 1060969664 /nfs/dbraw/zinc/96/96/64/1060969664.db2.gz SMQQNDUSRVHBGO-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CC1(C)CCc2ccccc2[C@@H](NCc2cccc(C#N)n2)C1 ZINC001462152018 1060976003 /nfs/dbraw/zinc/97/60/03/1060976003.db2.gz OITBVRZPQBVMCA-IBGZPJMESA-N 0 3 305.425 4.147 20 30 DIEDHN C#C[C@H](NC1CC(c2cccc(OC)c2)C1)c1ccc(F)cc1 ZINC001462276447 1061068643 /nfs/dbraw/zinc/06/86/43/1061068643.db2.gz JRSSBVNPRRDGRT-NLPFYKDJSA-N 0 3 309.384 4.044 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001473319491 1061085002 /nfs/dbraw/zinc/08/50/02/1061085002.db2.gz UXHHMGKKAFXMDU-UXHICEINSA-N 0 3 311.425 4.230 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C)c(C(=O)OC)c1 ZINC001473443513 1061161075 /nfs/dbraw/zinc/16/10/75/1061161075.db2.gz GTAYCTPTXCQKQR-UHFFFAOYSA-N 0 3 323.436 4.360 20 30 DIEDHN C[C@H]1COC(C)(C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473446143 1061163633 /nfs/dbraw/zinc/16/36/33/1061163633.db2.gz IVBAXNRUSQDRLU-INIZCTEOSA-N 0 3 320.436 4.225 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462527542 1061237018 /nfs/dbraw/zinc/23/70/18/1061237018.db2.gz XXGUOYODGYTGNB-SIXWZSSISA-N 0 3 322.456 4.466 20 30 DIEDHN C=CC[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC001473627371 1061299489 /nfs/dbraw/zinc/29/94/89/1061299489.db2.gz JLPDVWWUPKITBR-AWEZNQCLSA-N 0 3 324.262 4.116 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](c1cccc(C)c1)C(C)C ZINC001473702575 1061353403 /nfs/dbraw/zinc/35/34/03/1061353403.db2.gz JRTHFNWGZKEUPE-HXUWFJFHSA-N 0 3 308.425 4.362 20 30 DIEDHN C[C@@H](c1cc(F)ccc1F)N(C)CCc1cccc(C#N)c1 ZINC001473732214 1061378531 /nfs/dbraw/zinc/37/85/31/1061378531.db2.gz PMPYPKNVBGFDMJ-ZDUSSCGKSA-N 0 3 300.352 4.072 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCCCc1ccccc1 ZINC001473914277 1061462623 /nfs/dbraw/zinc/46/26/23/1061462623.db2.gz PRFTXNPUNSACEP-UHFFFAOYSA-N 0 3 313.828 4.074 20 30 DIEDHN CCCCCCCC[C@H](O)CN1CCc2nc[nH]c2[C@H]1C(C)C ZINC001252132176 1061591734 /nfs/dbraw/zinc/59/17/34/1061591734.db2.gz BCHJZVFNQGVASA-QFBILLFUSA-N 0 3 321.509 4.076 20 30 DIEDHN CCCCCCCC[C@@H](O)CN[C@H](c1ccc(F)cn1)C1CC1 ZINC001252139723 1061598107 /nfs/dbraw/zinc/59/81/07/1061598107.db2.gz QZNRQOSAIKFXFX-MJGOQNOKSA-N 0 3 322.468 4.373 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1ccc(C(F)(F)F)o1 ZINC001252140512 1061600719 /nfs/dbraw/zinc/60/07/19/1061600719.db2.gz BACJCYOWTOWKJV-CYBMUJFWSA-N 0 3 321.383 4.500 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)c1ccccc1 ZINC001474106311 1061656685 /nfs/dbraw/zinc/65/66/85/1061656685.db2.gz IWSPRZTUAAYPHA-OAHLLOKOSA-N 0 3 313.828 4.245 20 30 DIEDHN C=CCC[C@@H](O)CN1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252599943 1061672739 /nfs/dbraw/zinc/67/27/39/1061672739.db2.gz QIMDJALBRQWCTG-QWHCGFSZSA-N 0 3 314.256 4.110 20 30 DIEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001252623793 1061682767 /nfs/dbraw/zinc/68/27/67/1061682767.db2.gz QXMZNXVNILPVDW-RBUKOAKNSA-N 0 3 315.844 4.346 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CN1CCN(C2CCC2)CC1 ZINC001252980856 1061774200 /nfs/dbraw/zinc/77/42/00/1061774200.db2.gz ZUDLINOTBKWMDZ-HXUWFJFHSA-N 0 3 324.553 4.048 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cc(OC)ccn1 ZINC001252986383 1061775816 /nfs/dbraw/zinc/77/58/16/1061775816.db2.gz MABLWEFCUMUEGI-SFHVURJKSA-N 0 3 322.493 4.072 20 30 DIEDHN CCCCCCCCCC[C@H](O)CN[C@@H](C)c1cncnc1 ZINC001252987058 1061777020 /nfs/dbraw/zinc/77/70/20/1061777020.db2.gz QIMVQOGUDSATQM-WMZOPIPTSA-N 0 3 307.482 4.019 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ccc(OC)cn1 ZINC001252987731 1061779826 /nfs/dbraw/zinc/77/98/26/1061779826.db2.gz WIPSIHATMCRFLU-GOSISDBHSA-N 0 3 322.493 4.072 20 30 DIEDHN C#CC[C@@H](COC)NCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001474225885 1061786758 /nfs/dbraw/zinc/78/67/58/1061786758.db2.gz AAMZRMHBNRAEMF-KRWDZBQOSA-N 0 3 313.828 4.135 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)CCC=C ZINC001474231638 1061796244 /nfs/dbraw/zinc/79/62/44/1061796244.db2.gz YHJQLVQDNBXDTF-UHFFFAOYSA-N 0 3 305.849 4.434 20 30 DIEDHN N#Cc1ccc2c(c1)C[C@H](NCc1c(Cl)cccc1Cl)C2 ZINC001474245565 1061811824 /nfs/dbraw/zinc/81/18/24/1061811824.db2.gz RQCMLBIGGSZJOD-CQSZACIVSA-N 0 3 317.219 4.122 20 30 DIEDHN C=CCCCCCC[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC001253238335 1061837510 /nfs/dbraw/zinc/83/75/10/1061837510.db2.gz CZRHGFAWRCYZNV-CABCVRRESA-N 0 3 307.400 4.148 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1csc(Cl)c1 ZINC001253252068 1061855380 /nfs/dbraw/zinc/85/53/80/1061855380.db2.gz QRFVIYLKOCSUCQ-AWEZNQCLSA-N 0 3 301.883 4.379 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](CC)C2)cc1OC ZINC001474331786 1061923043 /nfs/dbraw/zinc/92/30/43/1061923043.db2.gz WEFFVKIZJZQTAI-CYBMUJFWSA-N 0 3 309.837 4.145 20 30 DIEDHN N#CCOc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC001254109859 1062025695 /nfs/dbraw/zinc/02/56/95/1062025695.db2.gz JQTZZYTZEPIAGL-SFHVURJKSA-N 0 3 312.800 4.019 20 30 DIEDHN C=CCN(CC=C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474400349 1062058858 /nfs/dbraw/zinc/05/88/58/1062058858.db2.gz OVWGABAYQOAZJV-UHFFFAOYSA-N 0 3 318.464 4.423 20 30 DIEDHN N#Cc1c(F)cccc1CN[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001474459050 1062137311 /nfs/dbraw/zinc/13/73/11/1062137311.db2.gz RZAXZROWNPUXTE-AEFFLSMTSA-N 0 3 308.400 4.198 20 30 DIEDHN N#Cc1c(F)cccc1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001474509077 1062191690 /nfs/dbraw/zinc/19/16/90/1062191690.db2.gz KHEKLWXORJEJOX-YFVAEKQCSA-N 0 3 320.411 4.465 20 30 DIEDHN C#C[C@@H](NC1CC(C(C)C)C1)c1ccc(Br)cc1 ZINC001474545176 1062239845 /nfs/dbraw/zinc/23/98/45/1062239845.db2.gz BQFVYQHBLVMJPH-AVVWSFFYSA-N 0 3 306.247 4.148 20 30 DIEDHN CC(C)[C@H]1c2ccccc2CCN1CC#Cc1ccc(F)cc1 ZINC001459644789 1062277022 /nfs/dbraw/zinc/27/70/22/1062277022.db2.gz CZMZEELRBYPCRF-NRFANRHFSA-N 0 3 307.412 4.433 20 30 DIEDHN CC[C@@H](CC#N)NCC1(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001255161101 1062346904 /nfs/dbraw/zinc/34/69/04/1062346904.db2.gz UNBVBMUHEWZAJB-HNNXBMFYSA-N 0 3 310.363 4.310 20 30 DIEDHN CC[C@@H](CC#N)NCC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001255162761 1062347916 /nfs/dbraw/zinc/34/79/16/1062347916.db2.gz YJDLNFCRKKLPIL-HNNXBMFYSA-N 0 3 321.415 4.102 20 30 DIEDHN CC[C@H](CC#N)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001255177441 1062353331 /nfs/dbraw/zinc/35/33/31/1062353331.db2.gz RYYDSNGFLYMWDM-CVEARBPZSA-N 0 3 321.262 4.148 20 30 DIEDHN N#CCc1cccc2c1CCN(Cc1ccc(C3CC3)cc1)C2 ZINC001474654286 1062386003 /nfs/dbraw/zinc/38/60/03/1062386003.db2.gz CZMUZSKPQLXWIU-UHFFFAOYSA-N 0 3 302.421 4.188 20 30 DIEDHN C=C(CN1CCCCC1)c1nnc(-c2ccc(Cl)cc2C)o1 ZINC001255318194 1062396015 /nfs/dbraw/zinc/39/60/15/1062396015.db2.gz VNAODULLCKOPGN-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN COc1ccc([C@H](C)NC2CC(C#N)(c3ccccc3)C2)cc1C ZINC001474703037 1062429445 /nfs/dbraw/zinc/42/94/45/1062429445.db2.gz ZXVRSJBEPHHSLU-YQHFOJDRSA-N 0 3 320.436 4.278 20 30 DIEDHN C=CCOCCN[C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001459846223 1062443844 /nfs/dbraw/zinc/44/38/44/1062443844.db2.gz WEXBVCYDRNMDJG-MRXNPFEDSA-N 0 3 311.853 4.228 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CSCc3ccccc32)C1 ZINC001255453631 1062451953 /nfs/dbraw/zinc/45/19/53/1062451953.db2.gz HEADEHVGGJRRDY-SKINQDTJSA-N 0 3 320.461 4.188 20 30 DIEDHN C=CCCCCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001459925932 1062500847 /nfs/dbraw/zinc/50/08/47/1062500847.db2.gz BLQSUFABKXIYII-MRXNPFEDSA-N 0 3 315.379 4.158 20 30 DIEDHN C[C@@H](Cc1ccccc1F)N1CCC(C#N)(c2ccccc2)CC1 ZINC001255842435 1062627195 /nfs/dbraw/zinc/62/71/95/1062627195.db2.gz SFIMKARBJXTMTG-KRWDZBQOSA-N 0 3 322.427 4.314 20 30 DIEDHN CN(CCC1(C#N)CCCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001460140727 1062657247 /nfs/dbraw/zinc/65/72/47/1062657247.db2.gz CVCDCKNSXQPOOV-KRWDZBQOSA-N 0 3 320.864 4.169 20 30 DIEDHN C[C@@H](Cc1cccc(Br)c1)NC1(CC#N)CCCC1 ZINC001256188104 1062747115 /nfs/dbraw/zinc/74/71/15/1062747115.db2.gz ZQAAZXHSTSNYAF-ZDUSSCGKSA-N 0 3 321.262 4.196 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC001470297615 1062747254 /nfs/dbraw/zinc/74/72/54/1062747254.db2.gz PMEOOUJHQDVRTC-ZWKOTPCHSA-N 0 3 310.526 4.220 20 30 DIEDHN CCCN(CCC#N)[C@H](C)CCc1ccc(Br)cc1 ZINC001256226573 1062754541 /nfs/dbraw/zinc/75/45/41/1062754541.db2.gz PGXGGAJGCAZSPS-CQSZACIVSA-N 0 3 323.278 4.396 20 30 DIEDHN C[C@H](Cc1ccccc1Br)NC1(CC#N)CCCC1 ZINC001256838783 1063008990 /nfs/dbraw/zinc/00/89/90/1063008990.db2.gz SBVVNRYMHNROQC-CYBMUJFWSA-N 0 3 321.262 4.196 20 30 DIEDHN N#CC1CCC(N2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001256973133 1063065970 /nfs/dbraw/zinc/06/59/70/1063065970.db2.gz LXGOJYBVQYETBY-UHFFFAOYSA-N 0 3 308.347 4.146 20 30 DIEDHN COc1ccc2cc(CC[C@@H](C)NCC3(C#N)CC3)ccc2c1 ZINC001257274848 1063177987 /nfs/dbraw/zinc/17/79/87/1063177987.db2.gz LXCOIDAXMZNHNE-OAHLLOKOSA-N 0 3 308.425 4.063 20 30 DIEDHN CCCCCCCCCC[C@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001257545956 1063328070 /nfs/dbraw/zinc/32/80/70/1063328070.db2.gz AZRTVIZJYNJQMQ-DLBZAZTESA-N 0 3 309.498 4.007 20 30 DIEDHN CCCCCCCCCC[C@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC001257550260 1063333390 /nfs/dbraw/zinc/33/33/90/1063333390.db2.gz LRHWGKRPIUATCM-VQTJNVASSA-N 0 3 324.553 4.312 20 30 DIEDHN C=C(Cl)CNCC(C)(C)c1ccc(Br)cc1 ZINC001461238112 1063355507 /nfs/dbraw/zinc/35/55/07/1063355507.db2.gz YVOVUIVHAZBUQM-UHFFFAOYSA-N 0 3 302.643 4.069 20 30 DIEDHN C=C1C[C@@H]2CC(NCc3nc(SC)ncc3Cl)C[C@H](C1)C2 ZINC001257887976 1063425921 /nfs/dbraw/zinc/42/59/21/1063425921.db2.gz RHGKTARKIFNZPH-FUNVUKJBSA-N 0 3 323.893 4.076 20 30 DIEDHN Fc1ccc(C#CCN2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001473143390 1063449681 /nfs/dbraw/zinc/44/96/81/1063449681.db2.gz DRSJDNXNEPGYNC-FQEVSTJZSA-N 0 3 307.412 4.447 20 30 DIEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001473158223 1063463248 /nfs/dbraw/zinc/46/32/48/1063463248.db2.gz HWUMCPGJIUZMJP-HNNXBMFYSA-N 0 3 308.878 4.319 20 30 DIEDHN C#Cc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC001461384182 1063464539 /nfs/dbraw/zinc/46/45/39/1063464539.db2.gz AZXYFTDUWHIENN-GOSISDBHSA-N 0 3 311.812 4.325 20 30 DIEDHN C=CCCC[C@H](C)NCc1cc(Br)cnc1Cl ZINC001461394412 1063472977 /nfs/dbraw/zinc/47/29/77/1063472977.db2.gz XTJCPSJGPUHCJE-JTQLQIEISA-N 0 3 317.658 4.332 20 30 DIEDHN CCCCCCC[C@H](C)n1nc(C(F)(F)F)c2c1CCNC2 ZINC001258050508 1063483329 /nfs/dbraw/zinc/48/33/29/1063483329.db2.gz WIDGFEACDRZPJD-LBPRGKRZSA-N 0 3 317.399 4.469 20 30 DIEDHN C=C[C@H](COC)NCc1ccc2c(c1)c1ccccc1n2CC ZINC001461453068 1063515105 /nfs/dbraw/zinc/51/51/05/1063515105.db2.gz IMKZVZZPGOYDMT-MRXNPFEDSA-N 0 3 308.425 4.105 20 30 DIEDHN CCCCCCCCCCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001461475004 1063529511 /nfs/dbraw/zinc/52/95/11/1063529511.db2.gz KLCFMVBPEWDFRB-IBGZPJMESA-N 0 3 308.510 4.118 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(CC(C)C)cc2)cc1 ZINC001461520764 1063552760 /nfs/dbraw/zinc/55/27/60/1063552760.db2.gz KSWFVMHMTKYHSK-UHFFFAOYSA-N 0 3 307.437 4.187 20 30 DIEDHN CCCCCCCCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258229657 1063569634 /nfs/dbraw/zinc/56/96/34/1063569634.db2.gz TXLXNMXARSBGJM-CVEARBPZSA-N 0 3 300.487 4.025 20 30 DIEDHN C#Cc1cccc(CNCc2cc(C)cc(Br)c2)c1 ZINC001461576467 1063589623 /nfs/dbraw/zinc/58/96/23/1063589623.db2.gz CKHVMECBVVTXMM-UHFFFAOYSA-N 0 3 314.226 4.029 20 30 DIEDHN C#CC1(NCc2cccc(NC(=O)OC(C)(C)C)c2)CCCC1 ZINC001461710426 1063671621 /nfs/dbraw/zinc/67/16/21/1063671621.db2.gz CPBRZISMVLUOTE-UHFFFAOYSA-N 0 3 314.429 4.069 20 30 DIEDHN C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1Cl ZINC001461727742 1063681395 /nfs/dbraw/zinc/68/13/95/1063681395.db2.gz FOEBDZNNGHYMQE-CYBMUJFWSA-N 0 3 317.816 4.461 20 30 DIEDHN Cc1ccc(CNCc2ccc(C(F)(F)F)cc2C)cc1C#N ZINC001461751562 1063694924 /nfs/dbraw/zinc/69/49/24/1063694924.db2.gz OUBUVGKRXDGZRN-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN C=CCC[C@@H](C)NCc1csc(-c2ccc(OC)cc2)n1 ZINC001258717949 1063775249 /nfs/dbraw/zinc/77/52/49/1063775249.db2.gz AAJQXLQHAFHKAI-CYBMUJFWSA-N 0 3 302.443 4.263 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2c1CCC2 ZINC001461884200 1063775614 /nfs/dbraw/zinc/77/56/14/1063775614.db2.gz ROWCKNRUNHWFQZ-YADHBBJMSA-N 0 3 316.448 4.447 20 30 DIEDHN C=CCC[C@H](C)NCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001258723604 1063776907 /nfs/dbraw/zinc/77/69/07/1063776907.db2.gz ZXTFOVLKCZBVNO-AWEZNQCLSA-N 0 3 303.837 4.029 20 30 DIEDHN C=CCC[C@@H](C)NCc1cn(Cc2cccc(Cl)c2)cn1 ZINC001258724345 1063778088 /nfs/dbraw/zinc/77/80/88/1063778088.db2.gz URGXLJQJCHMFPJ-CQSZACIVSA-N 0 3 303.837 4.029 20 30 DIEDHN COc1cc(CN[C@H](CCCC#N)c2ccccc2)ccc1F ZINC001261244752 1063914734 /nfs/dbraw/zinc/91/47/34/1063914734.db2.gz BVARBJVZMMEYPF-GOSISDBHSA-N 0 3 312.388 4.359 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc2ccccc2n1 ZINC001263285996 1063978048 /nfs/dbraw/zinc/97/80/48/1063978048.db2.gz SICMXOVGMYZSCD-NXOAAHMSSA-N 0 3 304.393 4.237 20 30 DIEDHN Fc1ccc(C#CCN2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001307459324 1065412486 /nfs/dbraw/zinc/41/24/86/1065412486.db2.gz ODRQJARWLMBDMO-FQEVSTJZSA-N 0 3 307.412 4.132 20 30 DIEDHN C[C@@H]1[C@@H](C)CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001307488573 1065431713 /nfs/dbraw/zinc/43/17/13/1065431713.db2.gz DDAAKGMWZZWEHY-UONOGXRCSA-N 0 3 311.347 4.057 20 30 DIEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC001307486929 1065432850 /nfs/dbraw/zinc/43/28/50/1065432850.db2.gz ZVSISUYLOOXOEW-QGZVFWFLSA-N 0 3 302.462 4.309 20 30 DIEDHN CCO[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552186 1065478840 /nfs/dbraw/zinc/47/88/40/1065478840.db2.gz SVDWSAGXWFLFFJ-RBUKOAKNSA-N 0 3 317.448 4.093 20 30 DIEDHN CCCCCCCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC001307610275 1065513594 /nfs/dbraw/zinc/51/35/94/1065513594.db2.gz INNGISDHWYDZKT-UHFFFAOYSA-N 0 3 310.526 4.316 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC001307761639 1065608930 /nfs/dbraw/zinc/60/89/30/1065608930.db2.gz JDSSLDSRRPSEDF-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN CCOCCN(Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC001307998092 1065717669 /nfs/dbraw/zinc/71/76/69/1065717669.db2.gz YLSZFHFMFPMDKW-NRFANRHFSA-N 0 3 320.436 4.084 20 30 DIEDHN C[C@@H]1C[C@H](C)CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001308085892 1065754935 /nfs/dbraw/zinc/75/49/35/1065754935.db2.gz XKPKGJGGLISYTR-CHWSQXEVSA-N 0 3 308.372 4.028 20 30 DIEDHN C[C@]1(Cc2ccc(Cl)s2)CCCN1Cc1ccc(C#N)o1 ZINC001308124623 1065773730 /nfs/dbraw/zinc/77/37/30/1065773730.db2.gz LAOSCFZKQAHBMW-MRXNPFEDSA-N 0 3 320.845 4.463 20 30 DIEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc2ccccc2c1 ZINC001308137091 1065776242 /nfs/dbraw/zinc/77/62/42/1065776242.db2.gz OKAVWXZCYKRKIM-LJQANCHMSA-N 0 3 308.425 4.209 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc(Br)cs1 ZINC001308134406 1065776486 /nfs/dbraw/zinc/77/64/86/1065776486.db2.gz AFNOHNHIDQFXBW-LBPRGKRZSA-N 0 3 300.265 4.441 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1csc(C#N)c1 ZINC001308276470 1065876818 /nfs/dbraw/zinc/87/68/18/1065876818.db2.gz NCGREGSRJAMKGG-BZNIZROVSA-N 0 3 320.845 4.139 20 30 DIEDHN C=C[C@H](C)NCc1ccc(-c2cccc(Br)c2)o1 ZINC001308328454 1065916170 /nfs/dbraw/zinc/91/61/70/1065916170.db2.gz GFXHUKKBFKZLOY-NSHDSACASA-N 0 3 306.203 4.373 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC001308296284 1065893296 /nfs/dbraw/zinc/89/32/96/1065893296.db2.gz XWWRYGGBTILYKA-QAPCUYQASA-N 0 3 317.860 4.410 20 30 DIEDHN C=CCCCCNCc1cnn(Cc2ccccc2)c1Cl ZINC001308378885 1065952791 /nfs/dbraw/zinc/95/27/91/1065952791.db2.gz ANFNBGNYLCCGNN-UHFFFAOYSA-N 0 3 303.837 4.031 20 30 DIEDHN N#Cc1cc(CNCCn2ccc3cc(Cl)ccc32)cs1 ZINC001308400635 1065963561 /nfs/dbraw/zinc/96/35/61/1065963561.db2.gz IKPOXFWXGKAYJL-UHFFFAOYSA-N 0 3 315.829 4.018 20 30 DIEDHN C=CCC1(CNCc2snc(OC)c2Cl)CCCC1 ZINC001308403082 1065965329 /nfs/dbraw/zinc/96/53/29/1065965329.db2.gz KIXUDJUQFXGZAO-UHFFFAOYSA-N 0 3 300.855 4.031 20 30 DIEDHN C=CCN(Cc1cc2ccncc2s1)Cc1ccc(OC)cc1 ZINC001308578693 1066092536 /nfs/dbraw/zinc/09/25/36/1066092536.db2.gz RYQDIHGBLRYWNW-UHFFFAOYSA-N 0 3 324.449 4.493 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H]2c2cccc3ccccc32)n1 ZINC001308595958 1066106941 /nfs/dbraw/zinc/10/69/41/1066106941.db2.gz WUOYWENXBPAYGG-OAQYLSRUSA-N 0 3 313.404 4.444 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(N(C)C)cc1C ZINC001308631019 1066127952 /nfs/dbraw/zinc/12/79/52/1066127952.db2.gz IWNVLGVSSDNKAK-UHFFFAOYSA-N 0 3 319.452 4.121 20 30 DIEDHN C=CCCCC[C@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703110 1066189005 /nfs/dbraw/zinc/18/90/05/1066189005.db2.gz GQXBHOHENYLGHG-KXBFYZLASA-N 0 3 315.436 4.373 20 30 DIEDHN N#CC1(CN[C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723818 1066201013 /nfs/dbraw/zinc/20/10/13/1066201013.db2.gz HYWNAAYIBQRFBO-DOMZBBRYSA-N 0 3 308.347 4.023 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCCc3c(F)cccc32)C1 ZINC001308793325 1066269252 /nfs/dbraw/zinc/26/92/52/1066269252.db2.gz YCFQYVSDKJHMNJ-ZWVUXNTGSA-N 0 3 320.411 4.417 20 30 DIEDHN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(C#N)c(C)c1 ZINC001308795937 1066271310 /nfs/dbraw/zinc/27/13/10/1066271310.db2.gz YJBXSZPIKYVUAB-IBGZPJMESA-N 0 3 308.425 4.458 20 30 DIEDHN CCc1ccc(CN(Cc2cccc(C#N)n2)CC(C)C)cc1 ZINC001308835667 1066311576 /nfs/dbraw/zinc/31/15/76/1066311576.db2.gz ZEQFGEIASOSQMW-UHFFFAOYSA-N 0 3 307.441 4.174 20 30 DIEDHN Cc1cc(CN2CCC(Oc3cccc(F)c3)CC2)ccc1C#N ZINC001308876045 1066354976 /nfs/dbraw/zinc/35/49/76/1066354976.db2.gz ZTGNLCCZSBQHGP-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CC[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308881434 1066361207 /nfs/dbraw/zinc/36/12/07/1066361207.db2.gz WQFRIQSJLWYRLZ-NSHDSACASA-N 0 3 314.307 4.012 20 30 DIEDHN FC(F)n1cc(CNCC#Cc2ccccc2)c2ccccc21 ZINC001308894714 1066374996 /nfs/dbraw/zinc/37/49/96/1066374996.db2.gz JSLNVEBWLMXTMF-UHFFFAOYSA-N 0 3 310.347 4.178 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000088764442 185264327 /nfs/dbraw/zinc/26/43/27/185264327.db2.gz MZTUJTWDIZOOLT-INIZCTEOSA-N 0 3 305.425 4.009 20 30 DIEDHN Cc1ccc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cn1 ZINC000442893140 338438927 /nfs/dbraw/zinc/43/89/27/338438927.db2.gz ADWUGQHKHWGJSO-INIZCTEOSA-N 0 3 305.425 4.202 20 30 DIEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1sccc1Br ZINC000578716973 332391175 /nfs/dbraw/zinc/39/11/75/332391175.db2.gz AHVKGLFBYMCWLN-DCAQKATOSA-N 0 3 313.264 4.244 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000287638778 335048820 /nfs/dbraw/zinc/04/88/20/335048820.db2.gz UODUFZPRKDLJBE-HNNXBMFYSA-N 0 3 313.445 4.188 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924858 131210058 /nfs/dbraw/zinc/21/00/58/131210058.db2.gz DXIFZVWFKGHYHS-HUUCEWRRSA-N 0 3 324.424 4.296 20 30 DIEDHN Cc1cc(Br)cc(C)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000447529640 331513821 /nfs/dbraw/zinc/51/38/21/331513821.db2.gz MIUOIRFYZFRDHL-ZFWWWQNUSA-N 0 3 321.262 4.238 20 30 DIEDHN N#Cc1cccc(C2(NCCSCc3ccccc3)CC2)c1 ZINC000556510183 331711263 /nfs/dbraw/zinc/71/12/63/331711263.db2.gz JTLFGTXZYGBURK-UHFFFAOYSA-N 0 3 308.450 4.070 20 30 DIEDHN CCCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000558507884 331914974 /nfs/dbraw/zinc/91/49/74/331914974.db2.gz RFTAVFBSIPDNMI-NRFANRHFSA-N 0 3 320.436 4.433 20 30 DIEDHN Cc1oc2ccccc2c1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000558510030 331915114 /nfs/dbraw/zinc/91/51/14/331915114.db2.gz WNTNKEAZXAPINK-IBGZPJMESA-N 0 3 302.377 4.390 20 30 DIEDHN CC[C@H](CC#N)NCC(Cc1ccccc1)Cc1ccccc1 ZINC000558575592 331925087 /nfs/dbraw/zinc/92/50/87/331925087.db2.gz PWPUEHAOXGLCRF-OAQYLSRUSA-N 0 3 306.453 4.370 20 30 DIEDHN CC(C)COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000127317785 332001066 /nfs/dbraw/zinc/00/10/66/332001066.db2.gz ZRQDKFIFQJTPQE-MRXNPFEDSA-N 0 3 308.425 4.444 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127938082 332009289 /nfs/dbraw/zinc/00/92/89/332009289.db2.gz YLWPEOGXZOSEFG-AWEZNQCLSA-N 0 3 302.830 4.440 20 30 DIEDHN C=CCC[C@H](Nc1cccc(OCCN(C)C)c1)c1ccco1 ZINC000569367219 332064874 /nfs/dbraw/zinc/06/48/74/332064874.db2.gz NMQRWDZSTVEIJS-SFHVURJKSA-N 0 3 314.429 4.339 20 30 DIEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000091080678 332099478 /nfs/dbraw/zinc/09/94/78/332099478.db2.gz HGQVPUINZZEUIH-SFHVURJKSA-N 0 3 322.456 4.165 20 30 DIEDHN C=CCCc1ccccc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000410375108 332119434 /nfs/dbraw/zinc/11/94/34/332119434.db2.gz WLFQCKUDRRCCGI-MRXNPFEDSA-N 0 3 300.446 4.008 20 30 DIEDHN CC(C)(C)[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000560243008 332322176 /nfs/dbraw/zinc/32/21/76/332322176.db2.gz XMAUTHLDALHMGB-IBGZPJMESA-N 0 3 318.424 4.083 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518604 332349573 /nfs/dbraw/zinc/34/95/73/332349573.db2.gz HMUNYEKFYWNRLH-MSOLQXFVSA-N 0 3 316.420 4.319 20 30 DIEDHN C=CCC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000560526890 332351470 /nfs/dbraw/zinc/35/14/70/332351470.db2.gz IDJYZCAXHGWMCZ-MRXNPFEDSA-N 0 3 300.358 4.027 20 30 DIEDHN N#CCCCOc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000237744130 332387977 /nfs/dbraw/zinc/38/79/77/332387977.db2.gz HNWJYUDBUHWWML-UHFFFAOYSA-N 0 3 314.816 4.312 20 30 DIEDHN COc1ccc([C@@H]2CCCN2CC(C)(C)CCC#N)c(OC)c1 ZINC000121021828 332391195 /nfs/dbraw/zinc/39/11/95/332391195.db2.gz AYFLEJTWHSYWBP-KRWDZBQOSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@@H]1CCC[C@H](CCN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930417 332395061 /nfs/dbraw/zinc/39/50/61/332395061.db2.gz UPIZVTRCZLQURX-QZTJIDSGSA-N 0 3 311.473 4.155 20 30 DIEDHN Cc1ccccc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000562068217 332541346 /nfs/dbraw/zinc/54/13/46/332541346.db2.gz MDYFXQTYYWAJGF-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN CC(C)(CCC#N)CNCc1cc(Br)ccc1F ZINC000135141193 332615836 /nfs/dbraw/zinc/61/58/36/332615836.db2.gz QWBOJVCZZAAYRA-UHFFFAOYSA-N 0 3 313.214 4.008 20 30 DIEDHN CC(C)(CCC#N)CNCc1cc(F)ccc1Br ZINC000135154202 332615995 /nfs/dbraw/zinc/61/59/95/332615995.db2.gz VIVNYWCMRSZPIS-UHFFFAOYSA-N 0 3 313.214 4.008 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3c2cccc3OC)cc1 ZINC000151904560 332637709 /nfs/dbraw/zinc/63/77/09/332637709.db2.gz UVLCWKSRHRXGNN-LJQANCHMSA-N 0 3 309.409 4.037 20 30 DIEDHN CCCOCc1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000443979791 332647134 /nfs/dbraw/zinc/64/71/34/332647134.db2.gz OTPXRAODXNHLJD-UHFFFAOYSA-N 0 3 308.425 4.083 20 30 DIEDHN C=CC[C@@H](CC)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466399589 333017838 /nfs/dbraw/zinc/01/78/38/333017838.db2.gz PCHZPEOJXPMXBR-CYBMUJFWSA-N 0 3 317.414 4.163 20 30 DIEDHN N#Cc1cccc(CCNCc2ccc(F)c(Cl)c2Cl)c1 ZINC000466427126 333020832 /nfs/dbraw/zinc/02/08/32/333020832.db2.gz ZPLDIMZIERAKCL-UHFFFAOYSA-N 0 3 323.198 4.336 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000178509290 333140043 /nfs/dbraw/zinc/14/00/43/333140043.db2.gz JQBNQLGICZCJHT-CQSZACIVSA-N 0 3 310.363 4.262 20 30 DIEDHN C[C@H](NC1(c2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000180351589 333161191 /nfs/dbraw/zinc/16/11/91/333161191.db2.gz ICSPZDLFMLHXOQ-INIZCTEOSA-N 0 3 306.409 4.319 20 30 DIEDHN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542519 333162973 /nfs/dbraw/zinc/16/29/73/333162973.db2.gz KFPFLLPEEYTQMZ-ORAYPTAESA-N 0 3 310.372 4.066 20 30 DIEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NCCCC#N)cc1 ZINC000181139507 333167646 /nfs/dbraw/zinc/16/76/46/333167646.db2.gz DVPFQAFVDXJTML-IBGZPJMESA-N 0 3 312.388 4.011 20 30 DIEDHN Cc1c2ccccc2oc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181754163 333172104 /nfs/dbraw/zinc/17/21/04/333172104.db2.gz HAHCGKHOZULVMP-HNNXBMFYSA-N 0 3 320.392 4.494 20 30 DIEDHN C[C@H](NCc1ccc(C(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000183989553 333190674 /nfs/dbraw/zinc/19/06/74/333190674.db2.gz OFTAVVCHLLVNRK-ZDUSSCGKSA-N 0 3 316.351 4.377 20 30 DIEDHN CC(C)(C)OCc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185807822 333214398 /nfs/dbraw/zinc/21/43/98/333214398.db2.gz GDPBJJKDQOHJFW-CRAIPNDOSA-N 0 3 300.446 4.174 20 30 DIEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852489 333215091 /nfs/dbraw/zinc/21/50/91/333215091.db2.gz SIEZRGWLGJIYRT-GQIGUUNPSA-N 0 3 305.425 4.482 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C#N)s1 ZINC000497263119 333228738 /nfs/dbraw/zinc/22/87/38/333228738.db2.gz SADWPCNZZMOJOP-BDJLRTHQSA-N 0 3 320.845 4.139 20 30 DIEDHN CC(C)OC[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000500371799 333238992 /nfs/dbraw/zinc/23/89/92/333238992.db2.gz MXYNNEFOZFPQCS-MRXNPFEDSA-N 0 3 308.425 4.128 20 30 DIEDHN CCN(CCOc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593799 333267555 /nfs/dbraw/zinc/26/75/55/333267555.db2.gz JUAIIUUFMYIIPL-QGZVFWFLSA-N 0 3 308.425 4.329 20 30 DIEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294591 333301197 /nfs/dbraw/zinc/30/11/97/333301197.db2.gz CMOFRARCYKZFNR-NDXORKPFSA-N 0 3 320.436 4.059 20 30 DIEDHN C/C(=C\c1ccccc1C(F)(F)F)CNCC1(CC#N)CC1 ZINC000337249212 333444213 /nfs/dbraw/zinc/44/42/13/333444213.db2.gz JEHNBTMCMFCXKD-JLHYYAGUSA-N 0 3 308.347 4.392 20 30 DIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000411480783 333681454 /nfs/dbraw/zinc/68/14/54/333681454.db2.gz WOMCBXGZBOAMNM-KRWDZBQOSA-N 0 3 322.456 4.387 20 30 DIEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000411480785 333681460 /nfs/dbraw/zinc/68/14/60/333681460.db2.gz WOMCBXGZBOAMNM-QGZVFWFLSA-N 0 3 322.456 4.387 20 30 DIEDHN C[C@H](NCCC1(C#N)CCCCC1)[C@@H]1OCCc2sccc21 ZINC000411754313 333706205 /nfs/dbraw/zinc/70/62/05/333706205.db2.gz DWSZMPNNLFEJTA-YOEHRIQHSA-N 0 3 318.486 4.204 20 30 DIEDHN C=CCCc1ccccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412323625 333747066 /nfs/dbraw/zinc/74/70/66/333747066.db2.gz XFDQYNHFJBDGSC-OAGGEKHMSA-N 0 3 300.446 4.005 20 30 DIEDHN COc1ccc2oc([C@@H](C)NCC(C)(C)CC#N)c(C)c2c1 ZINC000414160715 333914948 /nfs/dbraw/zinc/91/49/48/333914948.db2.gz DKDKMXKSZIQXAT-CYBMUJFWSA-N 0 3 300.402 4.340 20 30 DIEDHN CC(C)(CC#N)CN[C@@H]1CCc2sc(Br)cc21 ZINC000414167531 333916903 /nfs/dbraw/zinc/91/69/03/333916903.db2.gz PIIHBFZBJAECOE-SNVBAGLBSA-N 0 3 313.264 4.027 20 30 DIEDHN N#CCOc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000264562394 333957993 /nfs/dbraw/zinc/95/79/93/333957993.db2.gz OVPDWILLQLTVSI-FQEVSTJZSA-N 0 3 306.409 4.220 20 30 DIEDHN C=CCc1cc(CN[C@H](CC)c2ccccc2)cc(OC)c1O ZINC000414491208 333995888 /nfs/dbraw/zinc/99/58/88/333995888.db2.gz CLERDWHPXXXGTR-GOSISDBHSA-N 0 3 311.425 4.370 20 30 DIEDHN Cc1cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517151 334024133 /nfs/dbraw/zinc/02/41/33/334024133.db2.gz UFMYWQVEBJYVLU-CABCVRRESA-N 0 3 312.388 4.448 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000271492429 334024171 /nfs/dbraw/zinc/02/41/71/334024171.db2.gz PASMPDYJGRJYBT-HXUWFJFHSA-N 0 3 306.409 4.386 20 30 DIEDHN CCOc1ccccc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271523516 334024390 /nfs/dbraw/zinc/02/43/90/334024390.db2.gz VFEKUBBEOPDPSF-HOTGVXAUSA-N 0 3 324.424 4.399 20 30 DIEDHN CCOc1ccccc1[C@@H](CC)NCc1ccc(OCC#N)cc1 ZINC000271800088 334027113 /nfs/dbraw/zinc/02/71/13/334027113.db2.gz RWKJCJADNUINMB-LJQANCHMSA-N 0 3 324.424 4.229 20 30 DIEDHN N#CCCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000273291570 334044916 /nfs/dbraw/zinc/04/49/16/334044916.db2.gz SGIBWJBHLVICEV-AWEZNQCLSA-N 0 3 315.417 4.220 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000274625324 334064148 /nfs/dbraw/zinc/06/41/48/334064148.db2.gz NLDGGKWOBLXRHP-DUVNUKRYSA-N 0 3 311.454 4.461 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000274625328 334064183 /nfs/dbraw/zinc/06/41/83/334064183.db2.gz NLDGGKWOBLXRHP-NOLJZWGESA-N 0 3 311.454 4.461 20 30 DIEDHN C[C@@H](NCCCC(C)(C)C#N)c1nc2ccccc2n1C(F)F ZINC000275426271 334070895 /nfs/dbraw/zinc/07/08/95/334070895.db2.gz GSBQVRVHBBBKRZ-GFCCVEGCSA-N 0 3 320.387 4.412 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278556517 334097962 /nfs/dbraw/zinc/09/79/62/334097962.db2.gz BEIDYLWNVPDJQD-CYBMUJFWSA-N 0 3 310.363 4.262 20 30 DIEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCCC(C)(C)C#N ZINC000278812768 334101815 /nfs/dbraw/zinc/10/18/15/334101815.db2.gz BQYDBIUBWGFYER-INIZCTEOSA-N 0 3 308.853 4.289 20 30 DIEDHN CC[C@@H](NCc1ccc(F)c(COC)c1)c1ccc(C#N)cc1 ZINC000278888133 334102977 /nfs/dbraw/zinc/10/29/77/334102977.db2.gz YKAFTAGGQBRRSI-LJQANCHMSA-N 0 3 312.388 4.085 20 30 DIEDHN C[C@H](NCCCCC(C)(C)C#N)c1ccc(Br)cn1 ZINC000280588525 334118639 /nfs/dbraw/zinc/11/86/39/334118639.db2.gz UBTZETIZGPCONC-LBPRGKRZSA-N 0 3 324.266 4.215 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340103640 334127365 /nfs/dbraw/zinc/12/73/65/334127365.db2.gz JJAYHSPGNHAJPO-FQEVSTJZSA-N 0 3 321.424 4.005 20 30 DIEDHN COc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)ccc1OCC(C)C ZINC000281878249 334129174 /nfs/dbraw/zinc/12/91/74/334129174.db2.gz FXDVBOAHXLWCBZ-ZMSDIMECSA-N 0 3 316.445 4.073 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289439474 334165375 /nfs/dbraw/zinc/16/53/75/334165375.db2.gz DOHWRAXXMIKUND-RBUKOAKNSA-N 0 3 324.468 4.021 20 30 DIEDHN N#C[C@H]1CCC[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462391 334172832 /nfs/dbraw/zinc/17/28/32/334172832.db2.gz WOXNQESZJMTREC-LRGNLBRXSA-N 0 3 320.436 4.133 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000293758809 334201901 /nfs/dbraw/zinc/20/19/01/334201901.db2.gz JSQIHPMYIORQBW-BZUAXINKSA-N 0 3 318.848 4.123 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000293758816 334201908 /nfs/dbraw/zinc/20/19/08/334201908.db2.gz JSQIHPMYIORQBW-PMPSAXMXSA-N 0 3 318.848 4.123 20 30 DIEDHN N#C[C@H]1CCC[C@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833571 334202612 /nfs/dbraw/zinc/20/26/12/334202612.db2.gz WOXNQESZJMTREC-DVWBAYGPSA-N 0 3 320.436 4.133 20 30 DIEDHN COc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1O ZINC000340444260 334202963 /nfs/dbraw/zinc/20/29/63/334202963.db2.gz HRKMRJMYWFPNGY-MAUKXSAKSA-N 0 3 324.424 4.487 20 30 DIEDHN C[C@H](c1ccc(CN2CCC(C)(C#N)CC2)cc1)C(F)(F)F ZINC000294885518 334214021 /nfs/dbraw/zinc/21/40/21/334214021.db2.gz CJJPYPVRJFWFET-CYBMUJFWSA-N 0 3 310.363 4.478 20 30 DIEDHN COc1cc([C@H](C)N[C@@H](C)CCC#N)ccc1OCC(C)C ZINC000299519800 334256052 /nfs/dbraw/zinc/25/60/52/334256052.db2.gz CVYABYQUVPJVHF-GJZGRUSLSA-N 0 3 304.434 4.073 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000187703761 334269079 /nfs/dbraw/zinc/26/90/79/334269079.db2.gz CLPDEADENOLPBR-JXFKEZNVSA-N 0 3 305.425 4.196 20 30 DIEDHN C=CC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000111258460 334314411 /nfs/dbraw/zinc/31/44/11/334314411.db2.gz APRDLRZJDLEQOC-UHFFFAOYSA-N 0 3 308.425 4.059 20 30 DIEDHN Cc1nc(C)c([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341761525 334478361 /nfs/dbraw/zinc/47/83/61/334478361.db2.gz PLVORAKKYGBOHS-SJKOYZFVSA-N 0 3 311.454 4.360 20 30 DIEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1C ZINC000341763271 334478508 /nfs/dbraw/zinc/47/85/08/334478508.db2.gz WNINLDJNWPSMTA-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN COc1ccc(C)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341820212 334482299 /nfs/dbraw/zinc/48/22/99/334482299.db2.gz XWMSRZRXQHWUHZ-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN N#CCC[C@@H](NCCCCOc1ccccc1)c1ccccc1 ZINC000342189513 334515921 /nfs/dbraw/zinc/51/59/21/334515921.db2.gz FSOOXIHZECQBNH-HXUWFJFHSA-N 0 3 308.425 4.480 20 30 DIEDHN C=CCC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342798185 334572776 /nfs/dbraw/zinc/57/27/76/334572776.db2.gz RYZVQGGPNFZNFF-IBGZPJMESA-N 0 3 316.408 4.003 20 30 DIEDHN Cc1nc(-c2ccc(CNCC(C)(C)CCC#N)o2)cs1 ZINC000343064627 334599864 /nfs/dbraw/zinc/59/98/64/334599864.db2.gz IGZGKHGIVYJRRX-UHFFFAOYSA-N 0 3 303.431 4.131 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1CNC ZINC000415919765 334628785 /nfs/dbraw/zinc/62/87/85/334628785.db2.gz IKMYZNVUOSHEMN-UHFFFAOYSA-N 0 3 323.440 4.016 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCNc2ccccc21 ZINC000417366292 334744501 /nfs/dbraw/zinc/74/45/01/334744501.db2.gz NDBQOCZNKMDRLV-RTWAWAEBSA-N 0 3 317.436 4.472 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373696 334764925 /nfs/dbraw/zinc/76/49/25/334764925.db2.gz XPGCCWQNJPZTBV-FOIQADDNSA-N 0 3 319.452 4.352 20 30 DIEDHN CC(C)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373251 334764983 /nfs/dbraw/zinc/76/49/83/334764983.db2.gz XAJCBXNFBXTRCJ-WOJBJXKFSA-N 0 3 305.425 4.318 20 30 DIEDHN Cc1[nH]c2ccc(CNCc3ccc(C#N)c(C)c3)cc2c1C ZINC000443980916 338465280 /nfs/dbraw/zinc/46/52/80/338465280.db2.gz NYZWVCITDANEDE-UHFFFAOYSA-N 0 3 303.409 4.255 20 30 DIEDHN N#CCCCNCc1ccc(-c2cccc(Br)c2)o1 ZINC000344328911 335241157 /nfs/dbraw/zinc/24/11/57/335241157.db2.gz MCUYLWFXORKXHY-UHFFFAOYSA-N 0 3 319.202 4.102 20 30 DIEDHN CC(C)(CCC#N)CNCc1ccc(Br)cc1F ZINC000344512125 335257696 /nfs/dbraw/zinc/25/76/96/335257696.db2.gz DRZWOOXUJJJOMK-UHFFFAOYSA-N 0 3 313.214 4.008 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000344821390 335281100 /nfs/dbraw/zinc/28/11/00/335281100.db2.gz JCCFRGGXUUKVNB-HNNXBMFYSA-N 0 3 308.372 4.037 20 30 DIEDHN Cc1ccc(C)n1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000345138423 335300626 /nfs/dbraw/zinc/30/06/26/335300626.db2.gz XKZYUMBVDMZRRE-QGZVFWFLSA-N 0 3 307.441 4.375 20 30 DIEDHN CSC[C@H](NCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000346800036 335436810 /nfs/dbraw/zinc/43/68/10/335436810.db2.gz QROVOOWOHYOEHQ-ZDUSSCGKSA-N 0 3 302.365 4.003 20 30 DIEDHN C=C(CN[C@@H]1CCCOc2ccc(OC)cc21)c1ccccc1 ZINC000346785252 335440780 /nfs/dbraw/zinc/44/07/80/335440780.db2.gz ZKFDXKHEDKVDOW-LJQANCHMSA-N 0 3 309.409 4.212 20 30 DIEDHN CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1c(C)nn(C)c1C ZINC000347998330 335544867 /nfs/dbraw/zinc/54/48/67/335544867.db2.gz GDSNBUYFVIFFRC-GOSISDBHSA-N 0 3 324.472 4.079 20 30 DIEDHN CC(C)(C#N)CCNC1(c2cccc(Br)c2)CCC1 ZINC000535664653 335715426 /nfs/dbraw/zinc/71/54/26/335715426.db2.gz GJWPFDRFYJGYHE-UHFFFAOYSA-N 0 3 321.262 4.358 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000053149554 335835351 /nfs/dbraw/zinc/83/53/51/335835351.db2.gz QTQNXNWIYNOPDR-UHFFFAOYSA-N 0 3 305.780 4.334 20 30 DIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000520692231 336020926 /nfs/dbraw/zinc/02/09/26/336020926.db2.gz RFOXNAFPSUQDCL-UHFFFAOYSA-N 0 3 323.440 4.002 20 30 DIEDHN Cc1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c(O)c1 ZINC000330254468 336130235 /nfs/dbraw/zinc/13/02/35/336130235.db2.gz AWQUOAHFXQSAMA-INIZCTEOSA-N 0 3 302.418 4.086 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000042797082 336242749 /nfs/dbraw/zinc/24/27/49/336242749.db2.gz HZJJSLOKOMHSID-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN N#Cc1ccc(CNCCCc2ccc(Cl)cc2)c(F)c1 ZINC000532567698 336255738 /nfs/dbraw/zinc/25/57/38/336255738.db2.gz INZKALJIJVDRGQ-UHFFFAOYSA-N 0 3 302.780 4.073 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774756 336261338 /nfs/dbraw/zinc/26/13/38/336261338.db2.gz NCQHZQYDVSUGSF-HUBLWGQQSA-N 0 3 307.235 4.182 20 30 DIEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774736 336261395 /nfs/dbraw/zinc/26/13/95/336261395.db2.gz NCQHZQYDVSUGSF-TYNCELHUSA-N 0 3 307.235 4.182 20 30 DIEDHN C[C@@H]1C[C@@H](C)N1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990400 336278080 /nfs/dbraw/zinc/27/80/80/336278080.db2.gz LTTICXOFRVWPNN-HZPDHXFCSA-N 0 3 306.409 4.120 20 30 DIEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000192970257 336286026 /nfs/dbraw/zinc/28/60/26/336286026.db2.gz LCXYYXQPBXFUQB-SFHVURJKSA-N 0 3 314.816 4.483 20 30 DIEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000192970269 336286105 /nfs/dbraw/zinc/28/61/05/336286105.db2.gz LCXYYXQPBXFUQB-GOSISDBHSA-N 0 3 314.816 4.483 20 30 DIEDHN C[C@H](N[C@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018604 336287074 /nfs/dbraw/zinc/28/70/74/336287074.db2.gz PNRYBXZKAMXTAR-KSSFIOAISA-N 0 3 324.449 4.477 20 30 DIEDHN N#Cc1c(F)cccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000301071339 336288445 /nfs/dbraw/zinc/28/84/45/336288445.db2.gz VGTUBNWELNCMBS-MRXNPFEDSA-N 0 3 315.417 4.008 20 30 DIEDHN N#Cc1cc(Cl)ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000301209824 336295066 /nfs/dbraw/zinc/29/50/66/336295066.db2.gz UHUMQGWBOAAOCK-MRXNPFEDSA-N 0 3 315.804 4.054 20 30 DIEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000301386053 336303837 /nfs/dbraw/zinc/30/38/37/336303837.db2.gz CNSGCPWHXWZRGL-HNNXBMFYSA-N 0 3 323.415 4.335 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106392 336361064 /nfs/dbraw/zinc/36/10/64/336361064.db2.gz YDRSDOBNDCGMQT-SJORKVTESA-N 0 3 314.429 4.307 20 30 DIEDHN CN1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000302836989 336371564 /nfs/dbraw/zinc/37/15/64/336371564.db2.gz XAWMMTGKUMXJFF-ZWKOTPCHSA-N 0 3 311.816 4.069 20 30 DIEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139031 336374890 /nfs/dbraw/zinc/37/48/90/336374890.db2.gz WCKFNBOHQSNWES-FZKQIMNGSA-N 0 3 314.816 4.250 20 30 DIEDHN CO[C@@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142316 336375099 /nfs/dbraw/zinc/37/50/99/336375099.db2.gz QKIHZJCPPZMJPX-UGSOOPFHSA-N 0 3 314.816 4.250 20 30 DIEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)cc1Cl ZINC000111104745 336397747 /nfs/dbraw/zinc/39/77/47/336397747.db2.gz MKZPZTOTDAPQGS-INIZCTEOSA-N 0 3 315.804 4.054 20 30 DIEDHN CC(C)(CCC#N)CN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000418090086 336398987 /nfs/dbraw/zinc/39/89/87/336398987.db2.gz DDPYYGQQFCQCKB-INIZCTEOSA-N 0 3 306.400 4.302 20 30 DIEDHN Cc1cc([C@@H](C)NC2CCN(c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000353499216 336420778 /nfs/dbraw/zinc/42/07/78/336420778.db2.gz CFLCLRNHACZQFF-OAHLLOKOSA-N 0 3 323.440 4.088 20 30 DIEDHN COc1cc(CN[C@@H]2CCC(C)(C)c3ccccc32)ccc1C#N ZINC000353617245 336429068 /nfs/dbraw/zinc/42/90/68/336429068.db2.gz CXCWGDNHBVOAGW-LJQANCHMSA-N 0 3 320.436 4.469 20 30 DIEDHN N#CCCC[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000353910860 336447284 /nfs/dbraw/zinc/44/72/84/336447284.db2.gz AIVBCWZDFOSMEM-GOSISDBHSA-N 0 3 300.352 4.490 20 30 DIEDHN N#CCCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353912206 336447512 /nfs/dbraw/zinc/44/75/12/336447512.db2.gz FAQGGGJCDFQPLG-SFHVURJKSA-N 0 3 309.369 4.120 20 30 DIEDHN COc1cc(CN[C@H](CCCC#N)c2ccccc2)cc(OC)c1 ZINC000353917188 336448207 /nfs/dbraw/zinc/44/82/07/336448207.db2.gz SULNCRWSWXYFQC-HXUWFJFHSA-N 0 3 324.424 4.229 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000358170188 336614793 /nfs/dbraw/zinc/61/47/93/336614793.db2.gz QQZJSUMWHFMMBA-BFHYXJOUSA-N 0 3 301.459 4.456 20 30 DIEDHN CC(C)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560742 336634617 /nfs/dbraw/zinc/63/46/17/336634617.db2.gz FUXFSZFYVYOMFF-KSSFIOAISA-N 0 3 311.404 4.183 20 30 DIEDHN CC(C)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560743 336634622 /nfs/dbraw/zinc/63/46/22/336634622.db2.gz FUXFSZFYVYOMFF-RDTXWAMCSA-N 0 3 311.404 4.183 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](CCO)c1ccccc1 ZINC000360644485 336717096 /nfs/dbraw/zinc/71/70/96/336717096.db2.gz ALMHUJDSHASUPO-SFTDATJTSA-N 0 3 320.436 4.039 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](c1cccnc1)C1CC1 ZINC000360655210 336717587 /nfs/dbraw/zinc/71/75/87/336717587.db2.gz CDRXRCMKLIAJKU-SFTDATJTSA-N 0 3 317.436 4.462 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000360994290 336731394 /nfs/dbraw/zinc/73/13/94/336731394.db2.gz DQZKPPDTJWSDCC-HXUWFJFHSA-N 0 3 309.409 4.124 20 30 DIEDHN CC(C)O[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C1(C)C ZINC000361235585 336745705 /nfs/dbraw/zinc/74/57/05/336745705.db2.gz CUSPRZKODUDCAP-KZNAEPCWSA-N 0 3 300.446 4.213 20 30 DIEDHN C=CCC[C@@H](NCc1ccccc1-c1cnn(C)c1)c1ccco1 ZINC000367538973 336824686 /nfs/dbraw/zinc/82/46/86/336824686.db2.gz VCCZVFBSSHCVKU-LJQANCHMSA-N 0 3 321.424 4.477 20 30 DIEDHN CCc1cc(OC)ccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418146552 336896892 /nfs/dbraw/zinc/89/68/92/336896892.db2.gz PXNCILABJWPLNJ-NRFANRHFSA-N 0 3 320.436 4.296 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2ccc(F)cc2[nH]1 ZINC000418136896 336897087 /nfs/dbraw/zinc/89/70/87/336897087.db2.gz BGBCDCUAGFRZNQ-IBGZPJMESA-N 0 3 319.383 4.346 20 30 DIEDHN CC(C)(C#N)CCCCN1CCC(C(=O)c2cccs2)CC1 ZINC000376635413 337038748 /nfs/dbraw/zinc/03/87/48/337038748.db2.gz VXKWEQRUXOIBMJ-UHFFFAOYSA-N 0 3 318.486 4.363 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377579217 337055524 /nfs/dbraw/zinc/05/55/24/337055524.db2.gz IJTBRELVRDYESM-CWFSZBLJSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1cc(Br)cs1 ZINC000193966593 337080890 /nfs/dbraw/zinc/08/08/90/337080890.db2.gz NHSABYKYLXJTGV-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000176747975 337151991 /nfs/dbraw/zinc/15/19/91/337151991.db2.gz ZBNDTECPVGPQSN-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN Cc1ccc([C@@H](C)NCCSCc2ccccc2C#N)o1 ZINC000177823384 337157691 /nfs/dbraw/zinc/15/76/91/337157691.db2.gz WTZOLJOZPMMTFC-CQSZACIVSA-N 0 3 300.427 4.044 20 30 DIEDHN C=CCSCCN[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000180458256 337174710 /nfs/dbraw/zinc/17/47/10/337174710.db2.gz CHHLMEULYVPRHT-LBPRGKRZSA-N 0 3 319.499 4.083 20 30 DIEDHN COc1cc(CN[C@@H]2CC(C)(C)c3ccccc32)ccc1C#N ZINC000583077174 337236296 /nfs/dbraw/zinc/23/62/96/337236296.db2.gz HFSGTFNSXYYJSF-GOSISDBHSA-N 0 3 306.409 4.079 20 30 DIEDHN N#CC(=C([O-])c1cccc(C(F)F)c1)c1cnc2ccccc2n1 ZINC000190903105 337291218 /nfs/dbraw/zinc/29/12/18/337291218.db2.gz RXJHDVDJUUKTNS-CYBMUJFWSA-N 0 3 323.302 4.057 20 30 DIEDHN N#CC(C(=O)c1cccc(C(F)F)c1)c1cnc2ccccc2n1 ZINC000190903105 337291219 /nfs/dbraw/zinc/29/12/19/337291219.db2.gz RXJHDVDJUUKTNS-CYBMUJFWSA-N 0 3 323.302 4.057 20 30 DIEDHN COc1cc(CN[C@@H]2C[C@@H](C)c3c2cccc3C)ccc1C#N ZINC000583901446 337384850 /nfs/dbraw/zinc/38/48/50/337384850.db2.gz CNKPUYPCWXASKP-RDTXWAMCSA-N 0 3 306.409 4.213 20 30 DIEDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903296 337396049 /nfs/dbraw/zinc/39/60/49/337396049.db2.gz CZFUPAPNCBDTNI-WBVHZDCISA-N 0 3 324.428 4.009 20 30 DIEDHN N#CCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000571850701 337579784 /nfs/dbraw/zinc/57/97/84/337579784.db2.gz GOTQFZPAZHGJQP-UHFFFAOYSA-N 0 3 315.417 4.075 20 30 DIEDHN C=C[C@H](CC(=O)Nc1ccccc1CN(C)C)c1ccccc1 ZINC000571902283 337581512 /nfs/dbraw/zinc/58/15/12/337581512.db2.gz NNPDJNMONHDMKO-MRXNPFEDSA-N 0 3 308.425 4.047 20 30 DIEDHN C#CC[C@@H](NCc1ccc(SC)c(OC)c1)c1ccccc1 ZINC000270256419 337639560 /nfs/dbraw/zinc/63/95/60/337639560.db2.gz VHLPQXPKUIERHW-QGZVFWFLSA-N 0 3 311.450 4.271 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573599 337644968 /nfs/dbraw/zinc/64/49/68/337644968.db2.gz WAHVBVAASFOMSV-CVEARBPZSA-N 0 3 310.466 4.437 20 30 DIEDHN C=CC[C@@H](C(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000275186233 337661673 /nfs/dbraw/zinc/66/16/73/337661673.db2.gz XRDABMOGSKBWHH-LJQANCHMSA-N 0 3 308.425 4.047 20 30 DIEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787936 337665611 /nfs/dbraw/zinc/66/56/11/337665611.db2.gz RZWAXDWAMKNMHW-UONOGXRCSA-N 0 3 315.417 4.141 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccn1)C1CCC1)CC2 ZINC000527962520 337780509 /nfs/dbraw/zinc/78/05/09/337780509.db2.gz FYHOFPTWDVMDAF-ICSRJNTNSA-N 0 3 303.409 4.072 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(OC)cc1OC)c1ccc(C#N)cc1 ZINC000527974589 337781675 /nfs/dbraw/zinc/78/16/75/337781675.db2.gz SLVLTYHIYWNNOZ-IFXJQAMLSA-N 0 3 324.424 4.377 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000424190884 337804119 /nfs/dbraw/zinc/80/41/19/337804119.db2.gz GSKYFIOFSQVBJD-MOPGFXCFSA-N 0 3 306.409 4.047 20 30 DIEDHN CCCCCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000424195629 337805993 /nfs/dbraw/zinc/80/59/93/337805993.db2.gz MKHRMDDTJMPRMO-DOTOQJQBSA-N 0 3 316.445 4.046 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000424296725 337816999 /nfs/dbraw/zinc/81/69/99/337816999.db2.gz PHVBRFNUDQVQES-YSIASYRMSA-N 0 3 311.400 4.096 20 30 DIEDHN Cc1cc(Cl)cc2c1OCCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424326534 337821289 /nfs/dbraw/zinc/82/12/89/337821289.db2.gz MCRXXQOMZSAPFK-JGGQBBKZSA-N 0 3 304.821 4.144 20 30 DIEDHN Cc1ccc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)cc2F)cc1 ZINC000533309300 337840577 /nfs/dbraw/zinc/84/05/77/337840577.db2.gz DVGILCOYIDNYGC-VQTJNVASSA-N 0 3 324.399 4.016 20 30 DIEDHN COc1ccc(C[C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665709 337884001 /nfs/dbraw/zinc/88/40/01/337884001.db2.gz YMLQWLKJCABYBN-JXFKEZNVSA-N 0 3 308.425 4.261 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000537061302 337885557 /nfs/dbraw/zinc/88/55/57/337885557.db2.gz IZRPHMMENORSKE-MRXNPFEDSA-N 0 3 311.400 4.315 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C(C)(C)C ZINC000121324911 337891847 /nfs/dbraw/zinc/89/18/47/337891847.db2.gz IGEZYTSBEKYPOM-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN CC(C)OCc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000537295492 337929061 /nfs/dbraw/zinc/92/90/61/337929061.db2.gz IUMDQZLWJVOXNK-INIZCTEOSA-N 0 3 308.425 4.334 20 30 DIEDHN C[C@@H](NCCSc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537400879 337935468 /nfs/dbraw/zinc/93/54/68/337935468.db2.gz LPYFJZFUWKIETM-CYBMUJFWSA-N 0 3 300.402 4.140 20 30 DIEDHN N#CCC[C@@H](C#N)CNC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000514784357 337970817 /nfs/dbraw/zinc/97/08/17/337970817.db2.gz IAZVCENYFVATPV-SLEUVZQESA-N 0 3 322.239 4.130 20 30 DIEDHN C=CCOCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000516163040 338006870 /nfs/dbraw/zinc/00/68/70/338006870.db2.gz RCGSGICSCGHEQX-IBGZPJMESA-N 0 3 317.379 4.041 20 30 DIEDHN CC(C)(C#N)CCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429142210 338071713 /nfs/dbraw/zinc/07/17/13/338071713.db2.gz NIWZBTPJFVVPEJ-HNNXBMFYSA-N 0 3 308.878 4.446 20 30 DIEDHN C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000429428986 338080623 /nfs/dbraw/zinc/08/06/23/338080623.db2.gz VKUUDBUCMPWUDM-KBPBESRZSA-N 0 3 314.816 4.330 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@@H]1CC ZINC000429783211 338089764 /nfs/dbraw/zinc/08/97/64/338089764.db2.gz IAQSBWZDNLHHDI-LSDHHAIUSA-N 0 3 318.486 4.072 20 30 DIEDHN N#CCC1(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000430035829 338094042 /nfs/dbraw/zinc/09/40/42/338094042.db2.gz NFXISQPSTSMAEU-UHFFFAOYSA-N 0 3 323.223 4.053 20 30 DIEDHN COc1ccccc1-c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430079227 338094988 /nfs/dbraw/zinc/09/49/88/338094988.db2.gz UYDIFKHIDGEXKC-UHFFFAOYSA-N 0 3 306.409 4.146 20 30 DIEDHN N#CCC1(CNCc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000430077744 338095006 /nfs/dbraw/zinc/09/50/06/338095006.db2.gz PSHHHUMJQOWTCA-UHFFFAOYSA-N 0 3 300.402 4.338 20 30 DIEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1-c1cc(C)ccc1C ZINC000430717545 338112289 /nfs/dbraw/zinc/11/22/89/338112289.db2.gz AMMIGFZMJCLMDN-MRXNPFEDSA-N 0 3 322.456 4.142 20 30 DIEDHN C=CCOc1ccc(CN2CC3(CCC3)C[C@H]2C)cc1OC ZINC000432800706 338168542 /nfs/dbraw/zinc/16/85/42/338168542.db2.gz PSCZPYYVBHJUAM-OAHLLOKOSA-N 0 3 301.430 4.025 20 30 DIEDHN Cc1nc2ccccn2c1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433022969 338176723 /nfs/dbraw/zinc/17/67/23/338176723.db2.gz YQPNXHQRHLVRSW-SFHVURJKSA-N 0 3 318.424 4.168 20 30 DIEDHN CN(CCSCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000433023700 338176837 /nfs/dbraw/zinc/17/68/37/338176837.db2.gz SNVSDPVBBYDBHY-UHFFFAOYSA-N 0 3 314.429 4.063 20 30 DIEDHN CN(CCSCc1ccc(F)cc1C#N)Cc1ccccc1 ZINC000433043052 338178071 /nfs/dbraw/zinc/17/80/71/338178071.db2.gz ZLAXVHNLBIEZKY-UHFFFAOYSA-N 0 3 314.429 4.063 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000433122024 338182351 /nfs/dbraw/zinc/18/23/51/338182351.db2.gz UOHSRPNFDWPGLP-DLBZAZTESA-N 0 3 324.449 4.184 20 30 DIEDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433227847 338186719 /nfs/dbraw/zinc/18/67/19/338186719.db2.gz MRJVFUHUOSEVPW-CRAIPNDOSA-N 0 3 324.399 4.118 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000433230151 338186858 /nfs/dbraw/zinc/18/68/58/338186858.db2.gz DVOIMAUUEQSXHC-UXHICEINSA-N 0 3 318.420 4.123 20 30 DIEDHN CCC(CC)CN(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000433232902 338187015 /nfs/dbraw/zinc/18/70/15/338187015.db2.gz NHMHLEAHNBNDJY-GOSISDBHSA-N 0 3 300.446 4.044 20 30 DIEDHN N#CCc1ccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308301 338190936 /nfs/dbraw/zinc/19/09/36/338190936.db2.gz XTJQXKASSPACEW-GOSISDBHSA-N 0 3 310.828 4.396 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(Cl)c1Cl ZINC000435731462 338246704 /nfs/dbraw/zinc/24/67/04/338246704.db2.gz LSMVBNIBWKQIHG-SWLSCSKDSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1Cl ZINC000435739330 338247188 /nfs/dbraw/zinc/24/71/88/338247188.db2.gz WYTMPCGGYOIAAK-ABAIWWIYSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(Cl)c1Cl ZINC000435745101 338247540 /nfs/dbraw/zinc/24/75/40/338247540.db2.gz JLQHFPWRQSJQEO-SKDRFNHKSA-N 0 3 306.258 4.126 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000435746054 338247764 /nfs/dbraw/zinc/24/77/64/338247764.db2.gz SRSKXIYJUBHQQM-SWLSCSKDSA-N 0 3 300.229 4.064 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229387 338262590 /nfs/dbraw/zinc/26/25/90/338262590.db2.gz DXBJLJZHYSGDNN-APWZRJJASA-N 0 3 308.400 4.198 20 30 DIEDHN C=C(C)COCCNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436289203 338266424 /nfs/dbraw/zinc/26/64/24/338266424.db2.gz HMPNFENLFVKDCY-UHFFFAOYSA-N 0 3 307.743 4.041 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000437095919 338300648 /nfs/dbraw/zinc/30/06/48/338300648.db2.gz XYJHRTOOVKGHLI-IINYFYTJSA-N 0 3 302.315 4.325 20 30 DIEDHN COc1cc(CN[C@H]2c3ccccc3CCC[C@@H]2C)ccc1C#N ZINC000440633447 338393372 /nfs/dbraw/zinc/39/33/72/338393372.db2.gz DZAFEVKIDWSWIT-YCRPNKLZSA-N 0 3 320.436 4.370 20 30 DIEDHN COc1ccc(-c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442870265 338436786 /nfs/dbraw/zinc/43/67/86/338436786.db2.gz UWJPAEIGSRFANQ-APWZRJJASA-N 0 3 306.409 4.144 20 30 DIEDHN CCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1OC ZINC000447526988 338554067 /nfs/dbraw/zinc/55/40/67/338554067.db2.gz CUQMXDAJJREXHV-SFHVURJKSA-N 0 3 324.424 4.206 20 30 DIEDHN CC(C)(CCC#N)CNCc1cccc(F)c1Br ZINC000449333437 338614088 /nfs/dbraw/zinc/61/40/88/338614088.db2.gz VCKSMMPEXMQWKE-UHFFFAOYSA-N 0 3 313.214 4.008 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1OC ZINC000449775646 338651915 /nfs/dbraw/zinc/65/19/15/338651915.db2.gz MZPZGZNKPUYSQX-INIZCTEOSA-N 0 3 311.425 4.419 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000453347085 338828892 /nfs/dbraw/zinc/82/88/92/338828892.db2.gz HIEQBHSXVMSAKQ-MAZHCROVSA-N 0 3 309.837 4.121 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453371437 338833440 /nfs/dbraw/zinc/83/34/40/338833440.db2.gz UOAXXCZCGCDYJF-YSGRDPCXSA-N 0 3 323.436 4.356 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453371434 338833462 /nfs/dbraw/zinc/83/34/62/338833462.db2.gz UOAXXCZCGCDYJF-BEVDRBHNSA-N 0 3 323.436 4.356 20 30 DIEDHN C=CCC1(CN[C@H](c2ccccc2)c2cncnc2)CCCC1 ZINC000453377204 338834521 /nfs/dbraw/zinc/83/45/21/338834521.db2.gz PVDXHUDIMQNOKC-LJQANCHMSA-N 0 3 307.441 4.292 20 30 DIEDHN C=CC[C@@H](C(=O)Nc1ccc(CN(C)C)c(C)c1)c1ccccc1 ZINC000458256162 338993559 /nfs/dbraw/zinc/99/35/59/338993559.db2.gz CARFVGUCFHBWOJ-HXUWFJFHSA-N 0 3 322.452 4.355 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(O)c(OCC)c1 ZINC000459300380 339020088 /nfs/dbraw/zinc/02/00/88/339020088.db2.gz JYLAGSOLDYQJNT-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN C=CCCN(C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459503182 339032839 /nfs/dbraw/zinc/03/28/39/339032839.db2.gz GCIMXJNPZORLLT-UHFFFAOYSA-N 0 3 310.445 4.068 20 30 DIEDHN C[C@@H](CCCc1cccnc1)NCc1ccc(Cl)cc1C#N ZINC000459630161 339039212 /nfs/dbraw/zinc/03/92/12/339039212.db2.gz AFAUZUMZEUJNIY-AWEZNQCLSA-N 0 3 313.832 4.108 20 30 DIEDHN C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)cc1Cl ZINC000459638881 339039688 /nfs/dbraw/zinc/03/96/88/339039688.db2.gz NSRNHJWGAXWBCC-AWEZNQCLSA-N 0 3 313.832 4.108 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000459697777 339043417 /nfs/dbraw/zinc/04/34/17/339043417.db2.gz QEXKICRMVXMQJM-UHFFFAOYSA-N 0 3 318.424 4.055 20 30 DIEDHN CCOc1cc(CNCC(C)(C)CC#N)ccc1OCC(C)C ZINC000459700677 339043541 /nfs/dbraw/zinc/04/35/41/339043541.db2.gz SWJBIQJGZWVPMU-UHFFFAOYSA-N 0 3 318.461 4.150 20 30 DIEDHN C/C(=C/c1ccccc1OC(F)F)CNCC(C)(C)CC#N ZINC000459725578 339044553 /nfs/dbraw/zinc/04/45/53/339044553.db2.gz DATIPHHAVZOWAV-RAXLEYEMSA-N 0 3 308.372 4.221 20 30 DIEDHN Cc1cc(F)ccc1-c1ccc(CNCC(C)(C)CC#N)o1 ZINC000459729799 339044817 /nfs/dbraw/zinc/04/48/17/339044817.db2.gz KUIXPHXJAHZEIY-UHFFFAOYSA-N 0 3 300.377 4.424 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(-c2cccc(F)c2F)o1 ZINC000459730463 339044915 /nfs/dbraw/zinc/04/49/15/339044915.db2.gz MPBKHZYKQYKHIK-UHFFFAOYSA-N 0 3 304.340 4.254 20 30 DIEDHN Cc1cc(CNCC(C)(C)CC#N)ccc1Oc1cccnc1 ZINC000459732725 339044965 /nfs/dbraw/zinc/04/49/65/339044965.db2.gz PEYZIBMHQITTEO-UHFFFAOYSA-N 0 3 309.413 4.212 20 30 DIEDHN N#Cc1ccc(OCCNCc2cccc(Cl)c2Cl)cc1 ZINC000462762325 339087432 /nfs/dbraw/zinc/08/74/32/339087432.db2.gz CBUWOVXKGABMSX-UHFFFAOYSA-N 0 3 321.207 4.034 20 30 DIEDHN CN(C)[C@@H](CNc1c(Cl)cccc1C#N)c1ccc(F)cc1 ZINC000462777806 339088072 /nfs/dbraw/zinc/08/80/72/339088072.db2.gz NGOZDDPVISEETC-INIZCTEOSA-N 0 3 317.795 4.066 20 30 DIEDHN Cc1ccc([C@H](CNc2ccc(F)cc2C#N)N2CCCC2)cc1 ZINC000462800927 339089694 /nfs/dbraw/zinc/08/96/94/339089694.db2.gz GZYZRSXPXRVOTC-FQEVSTJZSA-N 0 3 323.415 4.255 20 30 DIEDHN Cc1cc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000463037974 339102246 /nfs/dbraw/zinc/10/22/46/339102246.db2.gz VZJGGLOFCWDEQR-CVEARBPZSA-N 0 3 310.363 4.420 20 30 DIEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233377 339110756 /nfs/dbraw/zinc/11/07/56/339110756.db2.gz NHNJTPPUYVSHSP-DOTOQJQBSA-N 0 3 300.446 4.344 20 30 DIEDHN COc1ccccc1[C@H](CC(C)C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000463239619 339111268 /nfs/dbraw/zinc/11/12/68/339111268.db2.gz YGQLRRVNTDQMHW-JZXOWHBKSA-N 0 3 300.446 4.454 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000463281114 339113180 /nfs/dbraw/zinc/11/31/80/339113180.db2.gz JZNRTELOPXLUBK-UXHICEINSA-N 0 3 320.436 4.438 20 30 DIEDHN CC(C)CCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000463295952 339113889 /nfs/dbraw/zinc/11/38/89/339113889.db2.gz QPHUJVNPRFVGFB-AEFFLSMTSA-N 0 3 300.446 4.283 20 30 DIEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464471816 339142851 /nfs/dbraw/zinc/14/28/51/339142851.db2.gz NFGKMIZRKQLBMW-GFCCVEGCSA-N 0 3 324.689 4.244 20 30 DIEDHN C=CC[C@H](CC)NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000466389317 339201989 /nfs/dbraw/zinc/20/19/89/339201989.db2.gz PZGSHOBRGQKNJQ-LBPRGKRZSA-N 0 3 311.351 4.036 20 30 DIEDHN N#CCSCCCN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000466724722 339214332 /nfs/dbraw/zinc/21/43/32/339214332.db2.gz KZUGCLOFDDWHTG-FQEVSTJZSA-N 0 3 322.477 4.281 20 30 DIEDHN C=CCCN(C)Cc1cccc(Br)c1OC(F)F ZINC000467291788 339230098 /nfs/dbraw/zinc/23/00/98/339230098.db2.gz YHMMKMGKSMHUTL-UHFFFAOYSA-N 0 3 320.177 4.058 20 30 DIEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000467459216 339239725 /nfs/dbraw/zinc/23/97/25/339239725.db2.gz RSBRNZFZFOFGFN-CYBMUJFWSA-N 0 3 316.351 4.053 20 30 DIEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000468271945 339258502 /nfs/dbraw/zinc/25/85/02/339258502.db2.gz HEUVWGMBPNGJED-CYBMUJFWSA-N 0 3 300.352 4.420 20 30 DIEDHN C/C=C/COc1ccc(CC[C@H](C)N[C@H](CC)CC#N)cc1 ZINC000468475659 339263661 /nfs/dbraw/zinc/26/36/61/339263661.db2.gz OAXJTIDKYMUDNG-VFQYTZJCSA-N 0 3 300.446 4.244 20 30 DIEDHN CC(C#N)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000469400718 339287922 /nfs/dbraw/zinc/28/79/22/339287922.db2.gz XODPGVNJADPDBH-ZWNOBZJWSA-N 0 3 312.335 4.068 20 30 DIEDHN C=CCOCCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000470728257 339326372 /nfs/dbraw/zinc/32/63/72/339326372.db2.gz ZXXJPAZOLXBUJZ-QGZVFWFLSA-N 0 3 319.495 4.350 20 30 DIEDHN C=CCC[C@H](O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000472678569 339376163 /nfs/dbraw/zinc/37/61/63/339376163.db2.gz POGMOFXHPYKFGK-LBPRGKRZSA-N 0 3 302.245 4.145 20 30 DIEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000472678565 339376188 /nfs/dbraw/zinc/37/61/88/339376188.db2.gz POGMOFXHPYKFGK-GFCCVEGCSA-N 0 3 302.245 4.145 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc(C#N)c1 ZINC000474055076 339399474 /nfs/dbraw/zinc/39/94/74/339399474.db2.gz HTNCPGQHPHVTBT-LJQANCHMSA-N 0 3 306.409 4.079 20 30 DIEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1SC(C)C ZINC000474893215 339430220 /nfs/dbraw/zinc/43/02/20/339430220.db2.gz CKOXGKOXFJPUQQ-CYBMUJFWSA-N 0 3 313.894 4.115 20 30 DIEDHN C=CCN1CCC(NC(=O)N(CCCCC)[C@@H](C)CCC)CC1 ZINC000476043950 339467841 /nfs/dbraw/zinc/46/78/41/339467841.db2.gz TVOLIJZWVANADO-KRWDZBQOSA-N 0 3 323.525 4.027 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)cc1OC ZINC000488125248 339771096 /nfs/dbraw/zinc/77/10/96/339771096.db2.gz LGWYQXYBNJOIBY-HNNXBMFYSA-N 0 3 324.424 4.125 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(C)c2)cc1OC ZINC000488125249 339771142 /nfs/dbraw/zinc/77/11/42/339771142.db2.gz LGWYQXYBNJOIBY-OAHLLOKOSA-N 0 3 324.424 4.125 20 30 DIEDHN N#Cc1ccc(C2=CCN(CCCCC3CCOCC3)CC2)cc1 ZINC000499599060 340040395 /nfs/dbraw/zinc/04/03/95/340040395.db2.gz HKUPDVRQPACQJN-UHFFFAOYSA-N 0 3 324.468 4.244 20 30 DIEDHN C=C(C)COCCNC/C(C)=C/c1ccccc1C(F)(F)F ZINC000500396552 340056588 /nfs/dbraw/zinc/05/65/88/340056588.db2.gz ATRPZXKWAPDVDA-GXDHUFHOSA-N 0 3 313.363 4.291 20 30 DIEDHN C=CCCOCCNC/C(C)=C\c1ccccc1C(F)(F)F ZINC000500399547 340056809 /nfs/dbraw/zinc/05/68/09/340056809.db2.gz FOYXARINVAFWNP-OWBHPGMISA-N 0 3 313.363 4.291 20 30 DIEDHN CC[C@@H]1C[C@@]1(NCc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532830 340061608 /nfs/dbraw/zinc/06/16/08/340061608.db2.gz LIYBIWDKTZNIHE-NQIIRXRSSA-N 0 3 320.436 4.290 20 30 DIEDHN C[C@@H](CN1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501038873 340073059 /nfs/dbraw/zinc/07/30/59/340073059.db2.gz ZCCKZIOFIMAPGK-ZDUSSCGKSA-N 0 3 310.363 4.435 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccc1C ZINC000501252908 340077267 /nfs/dbraw/zinc/07/72/67/340077267.db2.gz KGGZGEGRAGMPAC-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN CC[C@@H]1C[C@@]1(NCc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550156 340107501 /nfs/dbraw/zinc/10/75/01/340107501.db2.gz HHBSUIPLUDNYMV-XLIONFOSSA-N 0 3 308.400 4.421 20 30 DIEDHN C[C@@H](NCCc1cccc2[nH]ccc21)c1ccc(C#N)cc1F ZINC000503932467 340137349 /nfs/dbraw/zinc/13/73/49/340137349.db2.gz YXSVMTJKWWPUER-CYBMUJFWSA-N 0 3 307.372 4.072 20 30 DIEDHN CCN(Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000505848231 340179595 /nfs/dbraw/zinc/17/95/95/340179595.db2.gz OIAFSDYPCGECIA-UHFFFAOYSA-N 0 3 308.425 4.391 20 30 DIEDHN C=CCOc1ccc(CN(CC)Cc2cccs2)cc1OC ZINC000506029571 340183838 /nfs/dbraw/zinc/18/38/38/340183838.db2.gz DEKSRDQUPWESAG-UHFFFAOYSA-N 0 3 317.454 4.344 20 30 DIEDHN Cc1cc(C)cc(OCCCN(C)Cc2ccc(C#N)cc2)c1 ZINC000506377290 340193585 /nfs/dbraw/zinc/19/35/85/340193585.db2.gz KTQDATRZHCUURK-UHFFFAOYSA-N 0 3 308.425 4.076 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cccc(C#N)c1 ZINC000507144618 340209537 /nfs/dbraw/zinc/20/95/37/340209537.db2.gz QYCWLOJWIOWPEG-HXUWFJFHSA-N 0 3 306.409 4.076 20 30 DIEDHN CCOc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000507151378 340209690 /nfs/dbraw/zinc/20/96/90/340209690.db2.gz FBJWXIVRNXRROH-UHFFFAOYSA-N 0 3 308.425 4.368 20 30 DIEDHN CC(C)CN(Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000507734268 340229881 /nfs/dbraw/zinc/22/98/81/340229881.db2.gz USWDBDDZRCNRLU-UHFFFAOYSA-N 0 3 324.472 4.168 20 30 DIEDHN CCN(Cc1ccccc1N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000508605317 340247807 /nfs/dbraw/zinc/24/78/07/340247807.db2.gz QURBTDYWNDWZAF-MRXNPFEDSA-N 0 3 307.441 4.207 20 30 DIEDHN CCN(Cc1ccc2c(c1)CCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000508606755 340247834 /nfs/dbraw/zinc/24/78/34/340247834.db2.gz ZKHZLVMERSLFKM-OAHLLOKOSA-N 0 3 306.409 4.076 20 30 DIEDHN CCN(Cc1c(C)nc2ccccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508671653 340250320 /nfs/dbraw/zinc/25/03/20/340250320.db2.gz NNUOPETVIMHSQP-INIZCTEOSA-N 0 3 318.424 4.098 20 30 DIEDHN N#Cc1cccc(OC2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000510554535 340302669 /nfs/dbraw/zinc/30/26/69/340302669.db2.gz RABYDVGRBYRDQM-WEVVVXLNSA-N 0 3 318.420 4.115 20 30 DIEDHN C=C(C)CCN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000510815816 340311801 /nfs/dbraw/zinc/31/18/01/340311801.db2.gz WSZNZPPHDBUAJJ-CQSZACIVSA-N 0 3 310.235 4.171 20 30 DIEDHN C=C(C)CN(CCCc1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000512184245 340351330 /nfs/dbraw/zinc/35/13/30/340351330.db2.gz WQBGGGWNMXLLTK-UHFFFAOYSA-N 0 3 313.441 4.091 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1CCCc2ccccc21 ZINC000512192735 340351730 /nfs/dbraw/zinc/35/17/30/340351730.db2.gz BSTFLKGSOYARHT-FQEVSTJZSA-N 0 3 311.425 4.228 20 30 DIEDHN C=CCOc1ccc(CNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000512542220 340366123 /nfs/dbraw/zinc/36/61/23/340366123.db2.gz MERGOJICFOKVSO-UHFFFAOYSA-N 0 3 310.372 4.162 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000512582236 340367993 /nfs/dbraw/zinc/36/79/93/340367993.db2.gz LWMXCLPNJQMLSD-UHFFFAOYSA-N 0 3 303.352 4.479 20 30 DIEDHN C[C@H](NCCc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512615562 340369132 /nfs/dbraw/zinc/36/91/32/340369132.db2.gz ZKOVFEYWKRUBQC-LBPRGKRZSA-N 0 3 302.780 4.244 20 30 DIEDHN Cc1ccccc1C1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512634214 340370251 /nfs/dbraw/zinc/37/02/51/340370251.db2.gz BWWSBUUUQQCJDC-OAHLLOKOSA-N 0 3 308.400 4.388 20 30 DIEDHN Cc1ccc(C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643779 340370600 /nfs/dbraw/zinc/37/06/00/340370600.db2.gz YJOGWOUWVGWHNY-YPMHNXCESA-N 0 3 302.418 4.349 20 30 DIEDHN Cc1cccc(OC[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642912 340370640 /nfs/dbraw/zinc/37/06/40/340370640.db2.gz UFOYFIHDZBHQHI-GJZGRUSLSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652778 340371086 /nfs/dbraw/zinc/37/10/86/340371086.db2.gz BJUXPAXPGMYBLT-RDJZCZTQSA-N 0 3 323.415 4.017 20 30 DIEDHN Cc1ccccc1O[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000512660143 340371566 /nfs/dbraw/zinc/37/15/66/340371566.db2.gz LIBBIIQSOLAIBW-LSDHHAIUSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@H](NCC1(C)Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512666050 340371815 /nfs/dbraw/zinc/37/18/15/340371815.db2.gz IIDDBBDUJOCCKL-AWEZNQCLSA-N 0 3 308.400 4.153 20 30 DIEDHN N#CCSCCCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000173901238 340377162 /nfs/dbraw/zinc/37/71/62/340377162.db2.gz JCUDGJPTEKVLGB-FQEVSTJZSA-N 0 3 322.477 4.433 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3[nH]c(C)cc3c2)cc1 ZINC000513069574 340391911 /nfs/dbraw/zinc/39/19/11/340391911.db2.gz PBCQSVCNLUVCOE-UHFFFAOYSA-N 0 3 306.409 4.331 20 30 DIEDHN C=CCC[C@@H](NCCc1nc2c(s1)CCCC2)c1ccco1 ZINC000513703120 340420506 /nfs/dbraw/zinc/42/05/06/340420506.db2.gz QNPDAXQMVLIWTE-CQSZACIVSA-N 0 3 316.470 4.455 20 30 DIEDHN N#CC1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000194997141 340598173 /nfs/dbraw/zinc/59/81/73/340598173.db2.gz ZZQKFCAFXPKHFI-UHFFFAOYSA-N 0 3 310.363 4.264 20 30 DIEDHN CC(C)[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000232314271 340631256 /nfs/dbraw/zinc/63/12/56/340631256.db2.gz XBKWYDTXICKJDY-KRWDZBQOSA-N 0 3 301.821 4.037 20 30 DIEDHN CN(C)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000303164461 340633483 /nfs/dbraw/zinc/63/34/83/340633483.db2.gz FSLIETZGLMRWNF-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN C=CC[C@@H](C)N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935842 340644360 /nfs/dbraw/zinc/64/43/60/340644360.db2.gz KNAUPPQJEJAYNR-RDTXWAMCSA-N 0 3 312.388 4.060 20 30 DIEDHN CC(C)c1ccc(OC2CCN(CCCCC#N)CC2)cc1 ZINC000524112198 340647594 /nfs/dbraw/zinc/64/75/94/340647594.db2.gz RFIYYXQAGLMOKN-UHFFFAOYSA-N 0 3 300.446 4.347 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000123732738 340794058 /nfs/dbraw/zinc/79/40/58/340794058.db2.gz XQOFJTQFAOXPCC-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000538409614 340821878 /nfs/dbraw/zinc/82/18/78/340821878.db2.gz RWKBUNTUVABPJC-LPMFXHHGSA-N 0 3 312.388 4.124 20 30 DIEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C12CCCC2 ZINC000538507421 340829520 /nfs/dbraw/zinc/82/95/20/340829520.db2.gz DHGLSJUXXPIIDY-FSPWUOQZSA-N 0 3 316.420 4.086 20 30 DIEDHN C[C@@H](NCCOc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000538511413 340830156 /nfs/dbraw/zinc/83/01/56/340830156.db2.gz JLOGOSAUCCBXOF-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](c1ccccc1C)C(C)C ZINC000539262419 340879008 /nfs/dbraw/zinc/87/90/08/340879008.db2.gz HUELDZIOOGDCSG-FQEVSTJZSA-N 0 3 308.425 4.362 20 30 DIEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297482 340879835 /nfs/dbraw/zinc/87/98/35/340879835.db2.gz FANLRDNYTCSRHI-NXEZZACHSA-N 0 3 322.663 4.482 20 30 DIEDHN C[C@@H](NC[C@H](C)Oc1ccccc1Cl)c1cccc(C#N)c1 ZINC000539506482 340888229 /nfs/dbraw/zinc/88/82/29/340888229.db2.gz IRKNYMDRPIVRDH-UONOGXRCSA-N 0 3 314.816 4.330 20 30 DIEDHN N#Cc1ccc(CNC[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000539513832 340888885 /nfs/dbraw/zinc/88/88/85/340888885.db2.gz JSLGOKYJXMNQCC-LJQANCHMSA-N 0 3 316.404 4.267 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)o1)c1c(F)cccc1Cl ZINC000539531206 340889385 /nfs/dbraw/zinc/88/93/85/340889385.db2.gz QHTXZAMVLYGZNB-UHFFFAOYSA-N 0 3 306.768 4.011 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000540459007 340932163 /nfs/dbraw/zinc/93/21/63/340932163.db2.gz ULASLLFOHHPGNF-IBGZPJMESA-N 0 3 308.425 4.231 20 30 DIEDHN C[C@H](NCCOC1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000540707041 340942424 /nfs/dbraw/zinc/94/24/24/340942424.db2.gz NIEPDDQHWISCOF-AWEZNQCLSA-N 0 3 304.409 4.087 20 30 DIEDHN C=CCSCCN[C@@H](C)c1ccccc1Br ZINC000129357079 340954293 /nfs/dbraw/zinc/95/42/93/340954293.db2.gz TVYOATLZPJHMPK-NSHDSACASA-N 0 3 300.265 4.019 20 30 DIEDHN C[C@@H]1SCCN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542277365 341003201 /nfs/dbraw/zinc/00/32/01/341003201.db2.gz PNXZWYIYLLKVSI-JXFKEZNVSA-N 0 3 322.477 4.431 20 30 DIEDHN C[C@H](NCCCC#N)c1ccc2ccccc2c1OC(F)F ZINC000542499692 341010666 /nfs/dbraw/zinc/01/06/66/341010666.db2.gz UKRLHCOIGJYDOE-LBPRGKRZSA-N 0 3 304.340 4.396 20 30 DIEDHN N#CCC1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000542853270 341023639 /nfs/dbraw/zinc/02/36/39/341023639.db2.gz HFLZZJHQJAHBOO-UHFFFAOYSA-N 0 3 320.436 4.391 20 30 DIEDHN CCN(Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000543139261 341033673 /nfs/dbraw/zinc/03/36/73/341033673.db2.gz OQOPCSAJQCFANN-MRXNPFEDSA-N 0 3 303.409 4.207 20 30 DIEDHN CCOc1cccc2cc([C@@H](C)NCCC(C)(C)C#N)oc21 ZINC000543518793 341048366 /nfs/dbraw/zinc/04/83/66/341048366.db2.gz ZTAYVIDQICWYTK-CYBMUJFWSA-N 0 3 300.402 4.422 20 30 DIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cc(C#N)cs2)c1 ZINC000544367266 341078438 /nfs/dbraw/zinc/07/84/38/341078438.db2.gz UTOGDPKSNQAEQA-ACJLOTCBSA-N 0 3 312.438 4.211 20 30 DIEDHN C[C@H](NCCc1ccc(F)c(F)c1F)c1ccc(C#N)cc1F ZINC000544386284 341079616 /nfs/dbraw/zinc/07/96/16/341079616.db2.gz LFGUZJUXSCPSJK-JTQLQIEISA-N 0 3 322.305 4.008 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](CC)CC(F)(F)F)cc1OC ZINC000544840819 341095991 /nfs/dbraw/zinc/09/59/91/341095991.db2.gz DNHGWEXZRSXOLM-ZDUSSCGKSA-N 0 3 317.351 4.081 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCCC1 ZINC000131643962 341105644 /nfs/dbraw/zinc/10/56/44/341105644.db2.gz BXGIXRTZUHPRFJ-KRWDZBQOSA-N 0 3 319.452 4.351 20 30 DIEDHN C[C@H](C#N)CNC(CCc1ccccc1)CCc1ccccc1 ZINC000545192249 341112771 /nfs/dbraw/zinc/11/27/71/341112771.db2.gz PCAYQZSKOSCVPD-GOSISDBHSA-N 0 3 306.453 4.370 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(c2ccncc2)CC1 ZINC000564315408 341203565 /nfs/dbraw/zinc/20/35/65/341203565.db2.gz QAWIPVZZLYXATK-UHFFFAOYSA-N 0 3 308.425 4.026 20 30 DIEDHN N#CCc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548934732 341281615 /nfs/dbraw/zinc/28/16/15/341281615.db2.gz QBKBGTVTKCJNJN-MRXNPFEDSA-N 0 3 322.374 4.307 20 30 DIEDHN Cc1cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1C#N ZINC000549172000 341287969 /nfs/dbraw/zinc/28/79/69/341287969.db2.gz LOPWJGFOGHMJFJ-INIZCTEOSA-N 0 3 322.374 4.421 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000549673725 341300335 /nfs/dbraw/zinc/30/03/35/341300335.db2.gz XDILKEVPNVFVRF-BBRMVZONSA-N 0 3 306.812 4.293 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676108 341300342 /nfs/dbraw/zinc/30/03/42/341300342.db2.gz ZFMCFRKFTZUNBU-CJNGLKHVSA-N 0 3 306.812 4.293 20 30 DIEDHN CC(C)(C)c1ccc(C(C)(C)CNC[C@H](C#N)CCC#N)cc1 ZINC000550219438 341312736 /nfs/dbraw/zinc/31/27/36/341312736.db2.gz QBUKEQPYBJGXNA-INIZCTEOSA-N 0 3 311.473 4.295 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)c(O)c(C)c1 ZINC000550366635 341315786 /nfs/dbraw/zinc/31/57/86/341315786.db2.gz JGBCKXNCKLLYEX-UHFFFAOYSA-N 0 3 308.425 4.293 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000550809192 341323499 /nfs/dbraw/zinc/32/34/99/341323499.db2.gz GKIHKLMIHMWYJF-KRWDZBQOSA-N 0 3 308.425 4.047 20 30 DIEDHN CC(C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000551799332 341352083 /nfs/dbraw/zinc/35/20/83/341352083.db2.gz SYZXSSHVXKNSJS-INIZCTEOSA-N 0 3 324.453 4.144 20 30 DIEDHN C=CCC[C@@H](NC[C@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032930 341363375 /nfs/dbraw/zinc/36/33/75/341363375.db2.gz CVOCUWTZTAQYEG-IEBWSBKVSA-N 0 3 310.441 4.403 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2)cc1 ZINC000552085556 341368328 /nfs/dbraw/zinc/36/83/28/341368328.db2.gz BTIRIZHCOQFCGP-UZLBHIALSA-N 0 3 311.425 4.117 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000248990051 341391534 /nfs/dbraw/zinc/39/15/34/341391534.db2.gz NCQHZQYDVSUGSF-ZOWXZIJZSA-N 0 3 307.235 4.182 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000249409588 341397341 /nfs/dbraw/zinc/39/73/41/341397341.db2.gz XMZJCXKIAFTHLC-YLJYHZDGSA-N 0 3 320.436 4.158 20 30 DIEDHN CC[C@H](CN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554560556 341458039 /nfs/dbraw/zinc/45/80/39/341458039.db2.gz ZBKKUQLHHQGMHB-GOSISDBHSA-N 0 3 319.452 4.133 20 30 DIEDHN CC(C)Oc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564432044 341501620 /nfs/dbraw/zinc/50/16/20/341501620.db2.gz NYHBGXDEGNXKHL-HXUWFJFHSA-N 0 3 306.409 4.123 20 30 DIEDHN CC(C)(C)[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000264098229 341576878 /nfs/dbraw/zinc/57/68/78/341576878.db2.gz HHOPSDLCMSPECL-LJQANCHMSA-N 0 3 308.425 4.466 20 30 DIEDHN Cc1cccnc1[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458980 341607944 /nfs/dbraw/zinc/60/79/44/341607944.db2.gz DLXSLGXDZYNYAD-OALUTQOASA-N 0 3 305.425 4.236 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432056 341622577 /nfs/dbraw/zinc/62/25/77/341622577.db2.gz DTZYGIXNQAWIOB-CABCVRRESA-N 0 3 310.397 4.009 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC([C@H](F)c3ccccc3F)CC2)C1 ZINC000575199430 341785349 /nfs/dbraw/zinc/78/53/49/341785349.db2.gz SXRNNOQZOKJJDJ-SIIHOXLZSA-N 0 3 304.384 4.241 20 30 DIEDHN CCCC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173926702 341821499 /nfs/dbraw/zinc/82/14/99/341821499.db2.gz MPLGMONAYZRCOE-OAHLLOKOSA-N 0 3 321.424 4.148 20 30 DIEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CCC#N)CC1 ZINC000577731658 341932691 /nfs/dbraw/zinc/93/26/91/341932691.db2.gz MUUCXHRSPOZALT-NTCAYCPXSA-N 0 3 313.401 4.014 20 30 DIEDHN CC(C)c1nc([C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566131 519868118 /nfs/dbraw/zinc/86/81/18/519868118.db2.gz WFCZVWQMZIENJA-PBHICJAKSA-N 0 3 324.428 4.005 20 30 DIEDHN Cc1cc(CNCc2cccc(C#N)c2)cc(C)c1OC(F)F ZINC000237636494 524761235 /nfs/dbraw/zinc/76/12/35/524761235.db2.gz LAXMGIOFKFJSJM-UHFFFAOYSA-N 0 3 316.351 4.066 20 30 DIEDHN C[C@H]1C[C@@H]1[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212937 524855816 /nfs/dbraw/zinc/85/58/16/524855816.db2.gz NATCBFHYKFBTPV-UYHISHBKSA-N 0 3 313.832 4.037 20 30 DIEDHN C[C@@H](NCc1ccc(-c2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000365666635 525517194 /nfs/dbraw/zinc/51/71/94/525517194.db2.gz HVUSYHNGMCMJMR-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)s1)c1cccc(N2CCCC2)c1 ZINC000154150609 525517752 /nfs/dbraw/zinc/51/77/52/525517752.db2.gz SALIQTFDRQOZCZ-CQSZACIVSA-N 0 3 311.454 4.071 20 30 DIEDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072151 525595310 /nfs/dbraw/zinc/59/53/10/525595310.db2.gz OUOUPSYHTCCGDA-DJPFJPOOSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072220 525626394 /nfs/dbraw/zinc/62/63/94/525626394.db2.gz ODGGWVZWTXHPOP-MMOPVJDHSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622965 525669787 /nfs/dbraw/zinc/66/97/87/525669787.db2.gz CANBHLLSEJAUIS-UIAACRFSSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OCc2ccccc2)CC1 ZINC000118391794 526044456 /nfs/dbraw/zinc/04/44/56/526044456.db2.gz XRCIKTUNPITSEV-QGZVFWFLSA-N 0 3 320.436 4.300 20 30 DIEDHN CC[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000278866856 535915424 /nfs/dbraw/zinc/91/54/24/535915424.db2.gz WRCXXKAGUBIUKG-IBGZPJMESA-N 0 3 308.425 4.027 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038930 536903263 /nfs/dbraw/zinc/90/32/63/536903263.db2.gz KKVXVBHNTHFKBL-GJZGRUSLSA-N 0 3 324.424 4.296 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187678981 1035565412 /nfs/dbraw/zinc/56/54/12/1035565412.db2.gz STUZYZXRHDVIAU-MRXNPFEDSA-N 0 3 318.420 4.025 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1c1ccncc1 ZINC000153948858 1035636108 /nfs/dbraw/zinc/63/61/08/1035636108.db2.gz VZCTWORQIDECBH-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@H]1c1ccccc1 ZINC000610216139 1035752415 /nfs/dbraw/zinc/75/24/15/1035752415.db2.gz OOFOINNVWMBWLE-DNVCBOLYSA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@H](NCc1ccc(C#N)s1)c1cccc(N2CCCC2)c1 ZINC000154150511 1035767047 /nfs/dbraw/zinc/76/70/47/1035767047.db2.gz SALIQTFDRQOZCZ-AWEZNQCLSA-N 0 3 311.454 4.071 20 30 DIEDHN CSCc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000578102644 1035768823 /nfs/dbraw/zinc/76/88/23/1035768823.db2.gz SIKJCIQOSNZXDG-LJQANCHMSA-N 0 3 308.450 4.198 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175754557 1035775772 /nfs/dbraw/zinc/77/57/72/1035775772.db2.gz XJWABNZZANPCJJ-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN Cc1cc2[nH]ccc2c(N(CCC#N)Cc2ccc(Cl)cc2)n1 ZINC001167141218 1036185507 /nfs/dbraw/zinc/18/55/07/1036185507.db2.gz OTTIQGSYTRICFU-UHFFFAOYSA-N 0 3 324.815 4.445 20 30 DIEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108730 1036312434 /nfs/dbraw/zinc/31/24/34/1036312434.db2.gz VFSQKSDOBWXDIX-RDTXWAMCSA-N 0 3 318.848 4.254 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965866 1036644636 /nfs/dbraw/zinc/64/46/36/1036644636.db2.gz QCQSUUWZVWJGEV-BDJLRTHQSA-N 0 3 300.402 4.487 20 30 DIEDHN C[C@@H](NCc1ccc(OCC(F)F)cc1)c1cccc(C#N)c1 ZINC000610344927 1036838892 /nfs/dbraw/zinc/83/88/92/1036838892.db2.gz MVZSRRAYPXPFFG-CYBMUJFWSA-N 0 3 316.351 4.053 20 30 DIEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC#Cc1ccc(F)cc1 ZINC001167433964 1037293520 /nfs/dbraw/zinc/29/35/20/1037293520.db2.gz QBUNVPVNJAILAS-QAPCUYQASA-N 0 3 311.375 4.194 20 30 DIEDHN N#CCC[C@@H](C#N)CNCC1(Cc2ccccc2)CCCCC1 ZINC000581344794 1037540508 /nfs/dbraw/zinc/54/05/08/1037540508.db2.gz PPYYRPCSBNXWLI-IBGZPJMESA-N 0 3 309.457 4.213 20 30 DIEDHN CN(Cc1ccccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133014 1037820198 /nfs/dbraw/zinc/82/01/98/1037820198.db2.gz IKRMKJICMVCTDP-NHCUHLMSSA-N 0 3 320.436 4.158 20 30 DIEDHN COc1cccc2cc([C@H](C)NCc3ccc(CC#N)cc3)oc21 ZINC000581693844 1037918957 /nfs/dbraw/zinc/91/89/57/1037918957.db2.gz RNERZNGANQWCCA-AWEZNQCLSA-N 0 3 320.392 4.358 20 30 DIEDHN Cc1ncc([C@H](C)N(Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000602443202 1038007040 /nfs/dbraw/zinc/00/70/40/1038007040.db2.gz ATXSZKCNOLWYRD-INIZCTEOSA-N 0 3 322.456 4.184 20 30 DIEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C[C@@H](C)CCC#N ZINC000602456053 1038011627 /nfs/dbraw/zinc/01/16/27/1038011627.db2.gz ZLVDRYWVGZSIIB-YJBOKZPZSA-N 0 3 310.445 4.133 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000127316407 1038014616 /nfs/dbraw/zinc/01/46/16/1038014616.db2.gz VIWUFWDNMHNRIV-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN N#CCc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000398955720 1038037221 /nfs/dbraw/zinc/03/72/21/1038037221.db2.gz HXVGAXQJMHOBNH-UHFFFAOYSA-N 0 3 304.315 4.061 20 30 DIEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000602535654 1038038281 /nfs/dbraw/zinc/03/82/81/1038038281.db2.gz WIDUPDOBQGALOM-SFHVURJKSA-N 0 3 313.445 4.084 20 30 DIEDHN C[C@H](CCC#N)CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567647 1038041443 /nfs/dbraw/zinc/04/14/43/1038041443.db2.gz IZSNGMYPYUYTPW-RDTXWAMCSA-N 0 3 313.832 4.354 20 30 DIEDHN C[C@@H](CCC#N)CN1CCc2nc(-c3ccccc3)sc2C1 ZINC000602706093 1038076345 /nfs/dbraw/zinc/07/63/45/1038076345.db2.gz BZXJLAVAZUFWMT-AWEZNQCLSA-N 0 3 311.454 4.108 20 30 DIEDHN N#CCC1(CN2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000602828744 1038095704 /nfs/dbraw/zinc/09/57/04/1038095704.db2.gz GPWMZRKHRQUHFG-KRWDZBQOSA-N 0 3 304.384 4.242 20 30 DIEDHN Cc1cc(C)c(CNC2(c3ccc(C#N)cc3)CCC2)c(C)n1 ZINC000602875247 1038103108 /nfs/dbraw/zinc/10/31/08/1038103108.db2.gz YIDFEXNXKDOWSY-UHFFFAOYSA-N 0 3 305.425 4.048 20 30 DIEDHN C[C@H](c1ccccc1Cl)N(C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590618 1038129255 /nfs/dbraw/zinc/12/92/55/1038129255.db2.gz RTABSRRSMIPEDR-UKRRQHHQSA-N 0 3 320.864 4.166 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cncc(Cl)c1 ZINC000598589628 1038130192 /nfs/dbraw/zinc/13/01/92/1038130192.db2.gz HIWQORMQBRBSAU-UHFFFAOYSA-N 0 3 313.832 4.265 20 30 DIEDHN CCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000341703933 1038235330 /nfs/dbraw/zinc/23/53/30/1038235330.db2.gz ZEEZIFKYMHERED-ICSRJNTNSA-N 0 3 305.425 4.462 20 30 DIEDHN Cc1nc(C)c([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341761526 1038264340 /nfs/dbraw/zinc/26/43/40/1038264340.db2.gz PLVORAKKYGBOHS-YVEFUNNKSA-N 0 3 311.454 4.360 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2CCc2ccccc2)c1 ZINC000603855824 1038303545 /nfs/dbraw/zinc/30/35/45/1038303545.db2.gz VBFQIZPENCRGRS-IBGZPJMESA-N 0 3 308.400 4.295 20 30 DIEDHN COc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873948 1038305093 /nfs/dbraw/zinc/30/50/93/1038305093.db2.gz JGLVIOFBBAGXCY-ORAYPTAESA-N 0 3 324.399 4.434 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000610829804 1038372694 /nfs/dbraw/zinc/37/26/94/1038372694.db2.gz MVABFNVJZFPEBY-LSDHHAIUSA-N 0 3 322.408 4.131 20 30 DIEDHN N#Cc1ccc(F)c(CN(Cc2ccccc2)CC2CCC2)c1 ZINC000065161297 1038377027 /nfs/dbraw/zinc/37/70/27/1038377027.db2.gz PDNUXTABWBSFLQ-UHFFFAOYSA-N 0 3 308.400 4.500 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H]2c2cccc3ccccc32)ccn1 ZINC000610991302 1038419296 /nfs/dbraw/zinc/41/92/96/1038419296.db2.gz DOAOKLDQRFGOAR-OAQYLSRUSA-N 0 3 313.404 4.444 20 30 DIEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000610991323 1038419668 /nfs/dbraw/zinc/41/96/68/1038419668.db2.gz FWVVSLOZWBQAIQ-CQSZACIVSA-N 0 3 312.388 4.289 20 30 DIEDHN C=CCN(CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000061800146 1038456058 /nfs/dbraw/zinc/45/60/58/1038456058.db2.gz DQEAKKUPEDCIAF-UHFFFAOYSA-N 0 3 317.454 4.344 20 30 DIEDHN N#CCOc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000171769681 1038486368 /nfs/dbraw/zinc/48/63/68/1038486368.db2.gz JZIUFMFRLXYCBT-UHFFFAOYSA-N 0 3 321.207 4.186 20 30 DIEDHN CC(C)(C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000121712918 1038503912 /nfs/dbraw/zinc/50/39/12/1038503912.db2.gz GPMXIADKGZIXPG-MRXNPFEDSA-N 0 3 322.408 4.313 20 30 DIEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000172210053 1038564548 /nfs/dbraw/zinc/56/45/48/1038564548.db2.gz HYYLFVBEEABOAF-WFASDCNBSA-N 0 3 322.339 4.337 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000119883525 1038594460 /nfs/dbraw/zinc/59/44/60/1038594460.db2.gz OQQWQFSWPRMLCC-FQEVSTJZSA-N 0 3 306.409 4.198 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1C)C(C)C ZINC000540362958 1038616951 /nfs/dbraw/zinc/61/69/51/1038616951.db2.gz PWGDQBFIQHEQGS-HXUWFJFHSA-N 0 3 308.425 4.362 20 30 DIEDHN CSc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032033 1038622503 /nfs/dbraw/zinc/62/25/03/1038622503.db2.gz AQPDCQHGSRFYGX-UHFFFAOYSA-N 0 3 308.450 4.449 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccn(C)c2)cc1 ZINC000158586886 1038655954 /nfs/dbraw/zinc/65/59/54/1038655954.db2.gz JBYQKDQNJYHOIU-CQSZACIVSA-N 0 3 304.821 4.007 20 30 DIEDHN C=CC[C@H]1CCN1Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000934462234 1038664067 /nfs/dbraw/zinc/66/40/67/1038664067.db2.gz PYWOFJUPVYEZEU-KRWDZBQOSA-N 0 3 312.388 4.047 20 30 DIEDHN N#CC(C(=O)c1ccoc1C1CC1)c1ccc(C(F)(F)F)cn1 ZINC000342628259 1038694320 /nfs/dbraw/zinc/69/43/20/1038694320.db2.gz FRXQIBPQOCSRPF-LBPRGKRZSA-N 0 3 320.270 4.061 20 30 DIEDHN N#CC(C(=O)c1ccoc1C1CC1)c1ccc(C(F)(F)F)cn1 ZINC000342628247 1038694850 /nfs/dbraw/zinc/69/48/50/1038694850.db2.gz FRXQIBPQOCSRPF-GFCCVEGCSA-N 0 3 320.270 4.061 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(CC#N)cc1)CCC2 ZINC000342736720 1038751883 /nfs/dbraw/zinc/75/18/83/1038751883.db2.gz QLTWMEVFRJUARN-KRWDZBQOSA-N 0 3 311.454 4.027 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(C(F)(F)F)s1 ZINC000657530758 1038764987 /nfs/dbraw/zinc/76/49/87/1038764987.db2.gz SSAWJBXLKGAQEB-GHMZBOCLSA-N 0 3 304.381 4.386 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(C(F)(F)F)s1 ZINC000657530761 1038765761 /nfs/dbraw/zinc/76/57/61/1038765761.db2.gz SSAWJBXLKGAQEB-WDEREUQCSA-N 0 3 304.381 4.386 20 30 DIEDHN COc1ccc(CNC2(c3ccc(F)cc3)CCCC2)cc1C#N ZINC000174335636 1038924818 /nfs/dbraw/zinc/92/48/18/1038924818.db2.gz YWCFLLYJFQXPDW-UHFFFAOYSA-N 0 3 324.399 4.265 20 30 DIEDHN CC[C@@H](NCc1ccc(N(CC)CC)nc1)c1ccc(C#N)cc1 ZINC000278206732 1039282843 /nfs/dbraw/zinc/28/28/43/1039282843.db2.gz HDIIMCOYMUZCMY-LJQANCHMSA-N 0 3 322.456 4.040 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccsc2)cc1OC ZINC000669830919 1039293803 /nfs/dbraw/zinc/29/38/03/1039293803.db2.gz CKORYJCNDUVMMI-CYBMUJFWSA-N 0 3 303.427 4.172 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000539607271 1039298841 /nfs/dbraw/zinc/29/88/41/1039298841.db2.gz ICHPHKSJRNPFPK-QMIHWGKISA-N 0 3 324.399 4.126 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@]3(CCCc4ccccc43)C2)o1 ZINC000539825173 1039354268 /nfs/dbraw/zinc/35/42/68/1039354268.db2.gz NBOJKHMAPYVBDT-HXUWFJFHSA-N 0 3 306.409 4.021 20 30 DIEDHN CSCc1cc(F)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000540595517 1039523947 /nfs/dbraw/zinc/52/39/47/1039523947.db2.gz XJVUMHFAGFXXFC-CYBMUJFWSA-N 0 3 314.429 4.411 20 30 DIEDHN Cc1cc(CNCc2cccc(-c3cccnc3)c2)ccc1C#N ZINC000443997480 1040008343 /nfs/dbraw/zinc/00/83/43/1040008343.db2.gz REFFCJPUBLJCKV-UHFFFAOYSA-N 0 3 313.404 4.219 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)co2)cc1 ZINC000892501339 1040626705 /nfs/dbraw/zinc/62/67/05/1040626705.db2.gz NAENEOQSVYKJPZ-CZUORRHYSA-N 0 3 324.380 4.063 20 30 DIEDHN CCc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)s1 ZINC000580017202 1040777871 /nfs/dbraw/zinc/77/78/71/1040777871.db2.gz SEJXOBXPXRJAQO-LBPRGKRZSA-N 0 3 300.427 4.042 20 30 DIEDHN CC(C)(CCCc1ccccc1)CNCc1nc(C#N)cs1 ZINC000581280707 1040849702 /nfs/dbraw/zinc/84/97/02/1040849702.db2.gz XLBMUKGKOWRRJQ-UHFFFAOYSA-N 0 3 313.470 4.153 20 30 DIEDHN CCOc1cccc2cc([C@H](C)NCC(C)(C)CC#N)oc21 ZINC000414174964 1040954855 /nfs/dbraw/zinc/95/48/55/1040954855.db2.gz YPIMSIFKRGMGCV-ZDUSSCGKSA-N 0 3 300.402 4.422 20 30 DIEDHN C#Cc1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 ZINC000809625121 1041204610 /nfs/dbraw/zinc/20/46/10/1041204610.db2.gz XZHPVCJSRKINPX-UHFFFAOYSA-N 0 3 304.418 4.081 20 30 DIEDHN Fc1cc(C(F)(F)F)c(F)cc1CNC1CC(C(F)F)C1 ZINC000809769305 1041235745 /nfs/dbraw/zinc/23/57/45/1041235745.db2.gz DGSHKULSJBXBCF-UHFFFAOYSA-N 0 3 315.232 4.117 20 30 DIEDHN C#CCCOc1ccc(CN(C)[C@@H](CC)c2ccncc2)cc1 ZINC000809765096 1041250225 /nfs/dbraw/zinc/25/02/25/1041250225.db2.gz KXHDYXYSEOOOED-FQEVSTJZSA-N 0 3 308.425 4.067 20 30 DIEDHN C[C@H](Nc1cc(CN2CCCCC2)ccn1)c1cccc(C#N)c1 ZINC001167707150 1041264045 /nfs/dbraw/zinc/26/40/45/1041264045.db2.gz GZABXAIARVOXRD-INIZCTEOSA-N 0 3 320.440 4.112 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000189347025 1041305619 /nfs/dbraw/zinc/30/56/19/1041305619.db2.gz VTCQCVULDURXGL-ZDUSSCGKSA-N 0 3 316.351 4.353 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613667780 1041419884 /nfs/dbraw/zinc/41/98/84/1041419884.db2.gz REUWRNNBOGUGEX-XFQXTVEOSA-N 0 3 306.409 4.066 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728713139 1041479128 /nfs/dbraw/zinc/47/91/28/1041479128.db2.gz MHOLSCOABLLYOE-JKSUJKDBSA-N 0 3 324.424 4.227 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CCCCC1 ZINC000122709621 1041495852 /nfs/dbraw/zinc/49/58/52/1041495852.db2.gz MCDPYNNJJYYOTL-HNNXBMFYSA-N 0 3 309.413 4.110 20 30 DIEDHN CC(C)COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000236691051 1041640605 /nfs/dbraw/zinc/64/06/05/1041640605.db2.gz IVZJXLKXHJEBMG-MRXNPFEDSA-N 0 3 308.425 4.444 20 30 DIEDHN C#CCCCCN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000812724417 1041641563 /nfs/dbraw/zinc/64/15/63/1041641563.db2.gz CLKFUAMUKFLSKP-CYBMUJFWSA-N 0 3 302.418 4.403 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1cncc(F)c1)C1CC1 ZINC000417366869 1041665418 /nfs/dbraw/zinc/66/54/18/1041665418.db2.gz NXGONFFRPCATFQ-UXHICEINSA-N 0 3 321.399 4.211 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370264 1041666340 /nfs/dbraw/zinc/66/63/40/1041666340.db2.gz SFUAXHWASYEZRE-ZUOKHONESA-N 0 3 319.383 4.297 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2c(O)cccc21 ZINC000417370758 1041666465 /nfs/dbraw/zinc/66/64/65/1041666465.db2.gz STNBHPINGBTKNL-UXHICEINSA-N 0 3 318.420 4.308 20 30 DIEDHN CCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375922 1041668100 /nfs/dbraw/zinc/66/81/00/1041668100.db2.gz ZYMVILMFNCQNSO-VQTJNVASSA-N 0 3 305.425 4.462 20 30 DIEDHN C#CCOc1ccc(CNCc2cccc(SCC)c2)cc1 ZINC000813789979 1041732309 /nfs/dbraw/zinc/73/23/09/1041732309.db2.gz BULJEARRPRDIAC-UHFFFAOYSA-N 0 3 311.450 4.100 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000566624236 1041750840 /nfs/dbraw/zinc/75/08/40/1041750840.db2.gz PNLOWVJCETUCBY-CZUORRHYSA-N 0 3 308.347 4.342 20 30 DIEDHN C=CCC(C)(C)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000814004465 1041757933 /nfs/dbraw/zinc/75/79/33/1041757933.db2.gz RGKNLZYFHOANRZ-UHFFFAOYSA-N 0 3 315.457 4.044 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(F)c(Cl)c1)CC2 ZINC000566789819 1041804998 /nfs/dbraw/zinc/80/49/98/1041804998.db2.gz KPTSSCSHVOADGH-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2cccs2)no1 ZINC000661119529 1041889743 /nfs/dbraw/zinc/88/97/43/1041889743.db2.gz UYKCNYZIHJRYCV-STQMWFEESA-N 0 3 303.431 4.023 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C)cc2)o1 ZINC000661117358 1041890498 /nfs/dbraw/zinc/89/04/98/1041890498.db2.gz QGYILJFBGMCILE-NVXWUHKLSA-N 0 3 311.429 4.270 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000661379871 1041929345 /nfs/dbraw/zinc/92/93/45/1041929345.db2.gz BSXPSHHFQBFPKT-INIZCTEOSA-N 0 3 309.413 4.057 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)cc1C#N ZINC000815597365 1041970950 /nfs/dbraw/zinc/97/09/50/1041970950.db2.gz UQTRJZSEBNCYRX-CQSZACIVSA-N 0 3 306.409 4.295 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662081899 1042056920 /nfs/dbraw/zinc/05/69/20/1042056920.db2.gz STSNLVKMBHSATJ-YESZJQIVSA-N 0 3 312.457 4.320 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662079439 1042057190 /nfs/dbraw/zinc/05/71/90/1042057190.db2.gz GFNZXNOWJFXLRT-BHYGNILZSA-N 0 3 309.413 4.289 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(OC)cc2)n1 ZINC000662081674 1042057771 /nfs/dbraw/zinc/05/77/71/1042057771.db2.gz QTSZYKYMFIFJRY-CALCHBBNSA-N 0 3 310.397 4.033 20 30 DIEDHN N#CC(C(=O)c1nccc2ccccc21)c1ccc2ccccc2n1 ZINC000603627707 1042155431 /nfs/dbraw/zinc/15/54/31/1042155431.db2.gz CSCCHLYNKHIICE-QGZVFWFLSA-N 0 3 323.355 4.273 20 30 DIEDHN C#C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091808 1042190394 /nfs/dbraw/zinc/19/03/94/1042190394.db2.gz SQKXBKYGNBXXLR-IRXDYDNUSA-N 0 3 303.833 4.096 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1Cl ZINC000585726480 1042238076 /nfs/dbraw/zinc/23/80/76/1042238076.db2.gz JHKWTFIIWAOSGA-KRWDZBQOSA-N 0 3 312.800 4.084 20 30 DIEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173968 1042421794 /nfs/dbraw/zinc/42/17/94/1042421794.db2.gz DEEFQNUHRILQIY-OAHLLOKOSA-N 0 3 308.425 4.386 20 30 DIEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399418 1042443653 /nfs/dbraw/zinc/44/36/53/1042443653.db2.gz LGWXNCPJRQLBBE-WDEREUQCSA-N 0 3 317.380 4.034 20 30 DIEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399416 1042443164 /nfs/dbraw/zinc/44/31/64/1042443164.db2.gz LGWXNCPJRQLBBE-QWRGUYRKSA-N 0 3 317.380 4.034 20 30 DIEDHN Cc1cc(C#N)ccc1CN(C)Cc1cccc(OC(C)C)c1 ZINC000614403306 1042491628 /nfs/dbraw/zinc/49/16/28/1042491628.db2.gz QMRWMUXYXSXENM-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2ncsc2c1 ZINC000614409956 1042492659 /nfs/dbraw/zinc/49/26/59/1042492659.db2.gz GQYZEXGLISVCTF-CYBMUJFWSA-N 0 3 307.422 4.327 20 30 DIEDHN Fc1ccc(C#CCN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC001167927618 1042492794 /nfs/dbraw/zinc/49/27/94/1042492794.db2.gz JOGANCKUWSKQMY-HXUWFJFHSA-N 0 3 311.375 4.447 20 30 DIEDHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803195 1042599607 /nfs/dbraw/zinc/59/96/07/1042599607.db2.gz HJJBUWNKPSFBCE-LIRRHRJNSA-N 0 3 306.409 4.213 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618803462 1042599885 /nfs/dbraw/zinc/59/98/85/1042599885.db2.gz IOCSOBNSHYATHF-FZKQIMNGSA-N 0 3 321.380 4.113 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(C#N)s1 ZINC000421877365 1042660243 /nfs/dbraw/zinc/66/02/43/1042660243.db2.gz KPKIJSQDBGTSAU-QGZVFWFLSA-N 0 3 312.438 4.141 20 30 DIEDHN COc1ccc(-c2ccccc2C)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195393 1042728967 /nfs/dbraw/zinc/72/89/67/1042728967.db2.gz CWFKBSGEMURDBJ-QFBILLFUSA-N 0 3 320.436 4.453 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000424205037 1042729153 /nfs/dbraw/zinc/72/91/53/1042729153.db2.gz WAXUSWNZZNUSMA-MJGOQNOKSA-N 0 3 306.409 4.047 20 30 DIEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC000424335577 1042734775 /nfs/dbraw/zinc/73/47/75/1042734775.db2.gz XAMKXBWBACDGMP-JFGNBEQYSA-N 0 3 314.763 4.284 20 30 DIEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513969739 1042765731 /nfs/dbraw/zinc/76/57/31/1042765731.db2.gz CAILUXGAFVORNA-GOSISDBHSA-N 0 3 314.816 4.031 20 30 DIEDHN CO[C@@H](CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513969873 1042766000 /nfs/dbraw/zinc/76/60/00/1042766000.db2.gz FPNWROPYCINTQG-SFHVURJKSA-N 0 3 314.816 4.031 20 30 DIEDHN CCOc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425363264 1042796625 /nfs/dbraw/zinc/79/66/25/1042796625.db2.gz BDPYCSULUSCSPW-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515511859 1042823227 /nfs/dbraw/zinc/82/32/27/1042823227.db2.gz XZKCSQLMKBDVDU-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN N#CCCC[C@H](NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000516956126 1042861146 /nfs/dbraw/zinc/86/11/46/1042861146.db2.gz ZAGJEMIEXXTKLR-IBGZPJMESA-N 0 3 305.425 4.095 20 30 DIEDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000174429661 1043066502 /nfs/dbraw/zinc/06/65/02/1043066502.db2.gz YVAXDCITRINXHI-MRXNPFEDSA-N 0 3 305.425 4.009 20 30 DIEDHN CC1CCC(N(Cc2ccccc2C#N)C[C@H]2CCCO2)CC1 ZINC000441468731 1043153733 /nfs/dbraw/zinc/15/37/33/1043153733.db2.gz UNTLKRXMEIQEAI-RRWXTXHCSA-N 0 3 312.457 4.118 20 30 DIEDHN CC[C@H](C)[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476514 1043165398 /nfs/dbraw/zinc/16/53/98/1043165398.db2.gz KAQKZDHPGKBDLN-WMLDXEAASA-N 0 3 324.428 4.009 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cc3cnccc3o2)cc1 ZINC000866622392 1043239718 /nfs/dbraw/zinc/23/97/18/1043239718.db2.gz ZFFFLTATOXKYBQ-GJZGRUSLSA-N 0 3 320.392 4.252 20 30 DIEDHN C=C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000179008513 1043266511 /nfs/dbraw/zinc/26/65/11/1043266511.db2.gz NOZNPXMXLSATSN-ZBFHGGJFSA-N 0 3 316.360 4.364 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2COCC)cc1 ZINC000122629308 1043318282 /nfs/dbraw/zinc/31/82/82/1043318282.db2.gz UMPIPTIEOZCQII-KRWDZBQOSA-N 0 3 323.436 4.086 20 30 DIEDHN CCOc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000442779278 1043417394 /nfs/dbraw/zinc/41/73/94/1043417394.db2.gz LTBBFSXYILSDJB-LKUPVBHCSA-N 0 3 320.436 4.457 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594997 1043441150 /nfs/dbraw/zinc/44/11/50/1043441150.db2.gz YUJHVKGVTYGVCX-UZLBHIALSA-N 0 3 323.436 4.257 20 30 DIEDHN C#CCN(Cc1c[nH]c2c1cccc2F)[C@@H]1CCc2ccccc21 ZINC001137057566 1043485612 /nfs/dbraw/zinc/48/56/12/1043485612.db2.gz HSCARTGIVNDREF-HXUWFJFHSA-N 0 3 318.395 4.430 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C(F)(F)F)CC2 ZINC000558497274 1043521282 /nfs/dbraw/zinc/52/12/82/1043521282.db2.gz NHFIFBQEZUYOPF-QGZVFWFLSA-N 0 3 316.326 4.354 20 30 DIEDHN N#CCCCN[C@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000926131994 1043532868 /nfs/dbraw/zinc/53/28/68/1043532868.db2.gz INOGYHMCNHOTDB-MRXNPFEDSA-N 0 3 306.768 4.249 20 30 DIEDHN CCCCCCC[C@@H](C)C(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001274931632 1043561392 /nfs/dbraw/zinc/56/13/92/1043561392.db2.gz SCFMUWKNISXQLN-QGZVFWFLSA-N 0 3 320.521 4.070 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000926343612 1043567116 /nfs/dbraw/zinc/56/71/16/1043567116.db2.gz PYIMXGOPQINGAF-NRSPTQNISA-N 0 3 322.452 4.050 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344479 1043567500 /nfs/dbraw/zinc/56/75/00/1043567500.db2.gz WTHOIHZITAUBOH-TYPHKJRUSA-N 0 3 322.452 4.050 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344478 1043568419 /nfs/dbraw/zinc/56/84/19/1043568419.db2.gz WTHOIHZITAUBOH-NRSPTQNISA-N 0 3 322.452 4.050 20 30 DIEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001275115298 1043576552 /nfs/dbraw/zinc/57/65/52/1043576552.db2.gz UPQWPVIYGVOZRW-LJQANCHMSA-N 0 3 308.510 4.070 20 30 DIEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000926439751 1043577559 /nfs/dbraw/zinc/57/75/59/1043577559.db2.gz YSFVTMWKXDDRKS-LSTHTHJFSA-N 0 3 322.452 4.379 20 30 DIEDHN Cc1cc(F)cc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001143592136 1043578245 /nfs/dbraw/zinc/57/82/45/1043578245.db2.gz PSBBLMSEIXRGOE-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCOc3ccccc31)CC2 ZINC000353388987 1043603850 /nfs/dbraw/zinc/60/38/50/1043603850.db2.gz QUXHDUISPILJIL-RTBURBONSA-N 0 3 304.393 4.049 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926602972 1043605890 /nfs/dbraw/zinc/60/58/90/1043605890.db2.gz QRSZPMQQFASCAO-BLVKFPJESA-N 0 3 310.372 4.131 20 30 DIEDHN N#CCCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353533431 1043613677 /nfs/dbraw/zinc/61/36/77/1043613677.db2.gz FQNPOPHCBDYDGH-IBGZPJMESA-N 0 3 305.381 4.201 20 30 DIEDHN CCC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000353663789 1043630290 /nfs/dbraw/zinc/63/02/90/1043630290.db2.gz UYKHZDPMURDLBZ-INIZCTEOSA-N 0 3 300.427 4.259 20 30 DIEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(C)c1 ZINC000353890682 1043654994 /nfs/dbraw/zinc/65/49/94/1043654994.db2.gz DFBPOADBSNFFKV-CQSZACIVSA-N 0 3 314.410 4.074 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000353903041 1043655014 /nfs/dbraw/zinc/65/50/14/1043655014.db2.gz VJCPCXWJDKBGEA-GOSISDBHSA-N 0 3 300.352 4.490 20 30 DIEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(C)c1 ZINC000353890681 1043655221 /nfs/dbraw/zinc/65/52/21/1043655221.db2.gz DFBPOADBSNFFKV-AWEZNQCLSA-N 0 3 314.410 4.074 20 30 DIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000876545345 1043693684 /nfs/dbraw/zinc/69/36/84/1043693684.db2.gz FTHJVVGMERKIDC-OAHLLOKOSA-N 0 3 308.853 4.342 20 30 DIEDHN N#CC1(CCCCN(Cc2ccco2)C[C@H]2CCCO2)CCC1 ZINC000929338818 1043811692 /nfs/dbraw/zinc/81/16/92/1043811692.db2.gz NQHBOLYHQYYTAF-GOSISDBHSA-N 0 3 316.445 4.125 20 30 DIEDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000323476417 1043841503 /nfs/dbraw/zinc/84/15/03/1043841503.db2.gz YYJJVKQAYUHFJB-HNNXBMFYSA-N 0 3 303.409 4.209 20 30 DIEDHN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC000290326518 1043940591 /nfs/dbraw/zinc/94/05/91/1043940591.db2.gz DJLFYXZBIGUFMO-SFHVURJKSA-N 0 3 308.429 4.016 20 30 DIEDHN C/C=C/C[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879066599 1043941120 /nfs/dbraw/zinc/94/11/20/1043941120.db2.gz PVUVNDGHXOAXNJ-MPTWLCKMSA-N 0 3 324.468 4.105 20 30 DIEDHN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1cccc(C#N)c1 ZINC000290326509 1043941140 /nfs/dbraw/zinc/94/11/40/1043941140.db2.gz DJLFYXZBIGUFMO-GOSISDBHSA-N 0 3 308.429 4.016 20 30 DIEDHN N#CC1CCC(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000930655106 1043951771 /nfs/dbraw/zinc/95/17/71/1043951771.db2.gz NENODJBYEJMAQM-LADRWXRNSA-N 0 3 322.456 4.420 20 30 DIEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554077 1043961931 /nfs/dbraw/zinc/96/19/31/1043961931.db2.gz QZLUVWQSGNFIHN-HZPDHXFCSA-N 0 3 323.440 4.001 20 30 DIEDHN CC[C@H]1CC[C@H](C)N1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554075 1043962320 /nfs/dbraw/zinc/96/23/20/1043962320.db2.gz QZLUVWQSGNFIHN-HOTGVXAUSA-N 0 3 323.440 4.001 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccccn1)C1CCC1 ZINC000931171442 1043998653 /nfs/dbraw/zinc/99/86/53/1043998653.db2.gz BFLLIOSHUOKMPP-HXUWFJFHSA-N 0 3 305.425 4.201 20 30 DIEDHN C=CC[C@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627550 1044054151 /nfs/dbraw/zinc/05/41/51/1044054151.db2.gz MKBXBUCZWDWVAD-QFBILLFUSA-N 0 3 308.425 4.229 20 30 DIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccccc2)ccc1OC ZINC000129504682 1044158731 /nfs/dbraw/zinc/15/87/31/1044158731.db2.gz WBNLWDVNGGUDSB-MAUKXSAKSA-N 0 3 324.424 4.227 20 30 DIEDHN C#CCC1(N[C@H](C)c2nc3ccccc3n2C(F)F)CCC1 ZINC000933298483 1044192722 /nfs/dbraw/zinc/19/27/22/1044192722.db2.gz AXLXEMDNMVKXMF-GFCCVEGCSA-N 0 3 303.356 4.028 20 30 DIEDHN C=C(C)[C@@H](NCc1cccc(C)c1O)c1ccc(F)c(F)c1 ZINC000187445622 1044194170 /nfs/dbraw/zinc/19/41/70/1044194170.db2.gz RQECVKFGZCSENK-QGZVFWFLSA-N 0 3 303.352 4.386 20 30 DIEDHN COc1ccc(CN[C@H]2CCc3ccc(C(C)C)cc32)cc1C#N ZINC000778209328 1044220371 /nfs/dbraw/zinc/22/03/71/1044220371.db2.gz NDRCTALVSJYVAT-FQEVSTJZSA-N 0 3 320.436 4.467 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccccc2SC)cc1C#N ZINC000281982161 1044226650 /nfs/dbraw/zinc/22/66/50/1044226650.db2.gz KSRSVFKYKHDIJR-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1ccc(OCC#N)cc1)C(C)(C)C ZINC000934289688 1044236319 /nfs/dbraw/zinc/23/63/19/1044236319.db2.gz JEWXHFRZQAFMNB-LJQANCHMSA-N 0 3 323.440 4.169 20 30 DIEDHN C=CCCC[C@@H](NCc1cccn(CC)c1=O)c1ccccc1 ZINC000883218873 1044236808 /nfs/dbraw/zinc/23/68/08/1044236808.db2.gz IRBDFDZCYYPTDE-LJQANCHMSA-N 0 3 310.441 4.055 20 30 DIEDHN C=CCCC[C@H](NCc1cccn(CC)c1=O)c1ccccc1 ZINC000883218872 1044237722 /nfs/dbraw/zinc/23/77/22/1044237722.db2.gz IRBDFDZCYYPTDE-IBGZPJMESA-N 0 3 310.441 4.055 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H](C)c1nnc(C)s1 ZINC000883216107 1044237775 /nfs/dbraw/zinc/23/77/75/1044237775.db2.gz LDYFPWZDISCRKR-XJKSGUPXSA-N 0 3 301.459 4.075 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc(C2CC2)s1 ZINC000883229721 1044239248 /nfs/dbraw/zinc/23/92/48/1044239248.db2.gz PRPPTDRRTARVFC-MRXNPFEDSA-N 0 3 313.470 4.083 20 30 DIEDHN C=CCCC[C@H](NCc1c(C2CC2)cnn1C)c1ccccc1 ZINC000883236222 1044240769 /nfs/dbraw/zinc/24/07/69/1044240769.db2.gz WJKVAQCAZBGIGL-IBGZPJMESA-N 0 3 309.457 4.485 20 30 DIEDHN CC(C)(C#N)CCN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934416972 1044248555 /nfs/dbraw/zinc/24/85/55/1044248555.db2.gz AXCLFEKSRRYFIF-UHFFFAOYSA-N 0 3 318.848 4.175 20 30 DIEDHN CN(C)c1ccccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658668 1044296249 /nfs/dbraw/zinc/29/62/49/1044296249.db2.gz UPPKQVZPMVGGFI-FQEVSTJZSA-N 0 3 319.452 4.182 20 30 DIEDHN COc1cc(F)cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360658765 1044297638 /nfs/dbraw/zinc/29/76/38/1044297638.db2.gz UZOXUYVZPDZCKK-FQEVSTJZSA-N 0 3 324.399 4.263 20 30 DIEDHN C[C@H](NCc1cnccc1C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000840859010 1044396289 /nfs/dbraw/zinc/39/62/89/1044396289.db2.gz UJRHHRURCCAYQZ-HNNXBMFYSA-N 0 3 323.440 4.132 20 30 DIEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000740530726 1044397423 /nfs/dbraw/zinc/39/74/23/1044397423.db2.gz ABPACWHDXPJLMF-HIFRSBDPSA-N 0 3 304.349 4.116 20 30 DIEDHN C#CCCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000778455721 1044409592 /nfs/dbraw/zinc/40/95/92/1044409592.db2.gz ZONZAPRBIOWAJM-GFCCVEGCSA-N 0 3 320.152 4.056 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000133528853 1044410719 /nfs/dbraw/zinc/41/07/19/1044410719.db2.gz KIGCSFDRNBSIIP-OXJNMPFZSA-N 0 3 321.420 4.263 20 30 DIEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cc(C#N)n(C)c1 ZINC000361507925 1044412844 /nfs/dbraw/zinc/41/28/44/1044412844.db2.gz HECBCTGBEYJJDG-LBPRGKRZSA-N 0 3 321.346 4.109 20 30 DIEDHN COc1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218256 1044421074 /nfs/dbraw/zinc/42/10/74/1044421074.db2.gz MHPHOLXZGVBDRX-YJBOKZPZSA-N 0 3 309.413 4.176 20 30 DIEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000041548243 1044502924 /nfs/dbraw/zinc/50/29/24/1044502924.db2.gz SDTLSVPVLUTDKK-UKRRQHHQSA-N 0 3 304.349 4.198 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc(C2CC2)s1 ZINC000568371441 1044621898 /nfs/dbraw/zinc/62/18/98/1044621898.db2.gz DYGCNCPLDCBSFM-KRWDZBQOSA-N 0 3 309.438 4.059 20 30 DIEDHN C=CC[C@H]1N(CC(=O)Nc2c(C)cccc2C)CCCC1(C)C ZINC000444786384 1044630278 /nfs/dbraw/zinc/63/02/78/1044630278.db2.gz NUGSCLNFWIAVCM-QGZVFWFLSA-N 0 3 314.473 4.309 20 30 DIEDHN N#CCSCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000072513323 1044671849 /nfs/dbraw/zinc/67/18/49/1044671849.db2.gz ITDGEASMPILCKC-AWEZNQCLSA-N 0 3 317.483 4.080 20 30 DIEDHN N#CCSCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072513324 1044672864 /nfs/dbraw/zinc/67/28/64/1044672864.db2.gz ITDGEASMPILCKC-CQSZACIVSA-N 0 3 317.483 4.080 20 30 DIEDHN CCC[C@@H](NCc1ccc(SC)c(C#N)c1)c1cccnc1 ZINC000886689785 1044681273 /nfs/dbraw/zinc/68/12/73/1044681273.db2.gz HQQZPDMUWBQACJ-QGZVFWFLSA-N 0 3 311.454 4.306 20 30 DIEDHN CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccc1[O-] ZINC000886689529 1044681307 /nfs/dbraw/zinc/68/13/07/1044681307.db2.gz BUQYTSLXLJQWOU-MRXNPFEDSA-N 0 3 312.438 4.227 20 30 DIEDHN CCC[C@H](NCc1ccc(SC)c(C#N)c1)c1cccnc1 ZINC000886689784 1044681850 /nfs/dbraw/zinc/68/18/50/1044681850.db2.gz HQQZPDMUWBQACJ-KRWDZBQOSA-N 0 3 311.454 4.306 20 30 DIEDHN CSc1ccc(CN[C@H]2CCCNc3ccccc32)cc1C#N ZINC000886689524 1044681870 /nfs/dbraw/zinc/68/18/70/1044681870.db2.gz BNJSJGRNURMKLW-SFHVURJKSA-N 0 3 323.465 4.317 20 30 DIEDHN C[C@@H]1C[C@H]1c1ccc(CN(CCCSCC#N)C2CC2)o1 ZINC000074980545 1044686539 /nfs/dbraw/zinc/68/65/39/1044686539.db2.gz POLSTYLQSLFLFO-CZUORRHYSA-N 0 3 304.459 4.014 20 30 DIEDHN C[C@H]1C[C@H]1c1ccc(CN(CCCSCC#N)C2CC2)o1 ZINC000074980546 1044687478 /nfs/dbraw/zinc/68/74/78/1044687478.db2.gz POLSTYLQSLFLFO-XJKSGUPXSA-N 0 3 304.459 4.014 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1CCc2c1cccc2F ZINC000886926288 1044720399 /nfs/dbraw/zinc/72/03/99/1044720399.db2.gz IGUJBSZMKHNDMN-LJQANCHMSA-N 0 3 308.400 4.404 20 30 DIEDHN C=C(Br)CNCC(c1ccccc1)c1ccccc1 ZINC000221296544 1044727002 /nfs/dbraw/zinc/72/70/02/1044727002.db2.gz DUKOZORHFWTKQA-UHFFFAOYSA-N 0 3 316.242 4.317 20 30 DIEDHN C[C@@H](NCc1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367829535 1044755055 /nfs/dbraw/zinc/75/50/55/1044755055.db2.gz YOZXHACFECFMDL-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158816 1044767912 /nfs/dbraw/zinc/76/79/12/1044767912.db2.gz JAONHXNYFXHSTH-KSSFIOAISA-N 0 3 308.429 4.064 20 30 DIEDHN N#CCCCCN(Cc1csc(Br)c1)C1CC1 ZINC000125305140 1044799562 /nfs/dbraw/zinc/79/95/62/1044799562.db2.gz UVHWAFFWSSLQPQ-UHFFFAOYSA-N 0 3 313.264 4.169 20 30 DIEDHN CC[C@@H](N[C@@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209462 1044951327 /nfs/dbraw/zinc/95/13/27/1044951327.db2.gz WFYFONLPIFYMIH-NVXWUHKLSA-N 0 3 311.454 4.442 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248424 1045015912 /nfs/dbraw/zinc/01/59/12/1045015912.db2.gz WHNBVFCXHRHKAP-HUUCEWRRSA-N 0 3 324.424 4.377 20 30 DIEDHN CC1(C)C[C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588371 1045154784 /nfs/dbraw/zinc/15/47/84/1045154784.db2.gz UBVPOISDDWNFCU-NOLJZWGESA-N 0 3 302.393 4.100 20 30 DIEDHN C=CCCCN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000447795899 1045175280 /nfs/dbraw/zinc/17/52/80/1045175280.db2.gz QPZFIBUGRXKDTP-SFHVURJKSA-N 0 3 312.388 4.061 20 30 DIEDHN CSc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000527123834 1045199522 /nfs/dbraw/zinc/19/95/22/1045199522.db2.gz OXKQIYTVPXSARJ-GFCCVEGCSA-N 0 3 300.402 4.270 20 30 DIEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(Oc2ccccc2)nc1 ZINC000924880284 1045207251 /nfs/dbraw/zinc/20/72/51/1045207251.db2.gz ACVYOBLSRZNIFP-OAHLLOKOSA-N 0 3 309.413 4.292 20 30 DIEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000578870415 1045278315 /nfs/dbraw/zinc/27/83/15/1045278315.db2.gz NGHDUWKUYPMHRG-UHFFFAOYSA-N 0 3 318.342 4.403 20 30 DIEDHN CCCOCc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000578940961 1045283333 /nfs/dbraw/zinc/28/33/33/1045283333.db2.gz OKWRUHUNMNUORH-NRFANRHFSA-N 0 3 320.436 4.262 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527991182 1045290448 /nfs/dbraw/zinc/29/04/48/1045290448.db2.gz ABDVSAAPHKKHAV-MOPGFXCFSA-N 0 3 308.812 4.476 20 30 DIEDHN CC[C@@H](N[C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043147 1045299709 /nfs/dbraw/zinc/29/97/09/1045299709.db2.gz LIYPYCBBDSDHDT-QUCCMNQESA-N 0 3 321.424 4.154 20 30 DIEDHN C=C(C)COc1cc(CNCc2cc(C)cs2)ccc1OC ZINC000449473373 1045397753 /nfs/dbraw/zinc/39/77/53/1045397753.db2.gz BRMJBZDLUNWSMS-UHFFFAOYSA-N 0 3 317.454 4.310 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cocc2C)cc1 ZINC000528921598 1045429145 /nfs/dbraw/zinc/42/91/45/1045429145.db2.gz YOKDRSLRYMJELU-BLLLJJGKSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cocc2C)cc1 ZINC000528921598 1045429147 /nfs/dbraw/zinc/42/91/47/1045429147.db2.gz YOKDRSLRYMJELU-BLLLJJGKSA-N 0 3 324.380 4.063 20 30 DIEDHN COc1cccc([C@H]2C[C@H](N(C)Cc3cc(C#N)cs3)C2)c1 ZINC000449752099 1045434792 /nfs/dbraw/zinc/43/47/92/1045434792.db2.gz AZKKXYXZQBVNDT-WKILWMFISA-N 0 3 312.438 4.006 20 30 DIEDHN N#CC1(CCCCN2Cc3ccc(O)cc3C3(CC3)C2)CCC1 ZINC001119863613 1045526756 /nfs/dbraw/zinc/52/67/56/1045526756.db2.gz INPPGBXVKMQCHZ-UHFFFAOYSA-N 0 3 310.441 4.104 20 30 DIEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1C ZINC001122686290 1045568584 /nfs/dbraw/zinc/56/85/84/1045568584.db2.gz SWRSXMXDINGJIY-ZDUSSCGKSA-N 0 3 314.410 4.074 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905224 1045574376 /nfs/dbraw/zinc/57/43/76/1045574376.db2.gz SQWLIIIFYHNIEO-GUYCJALGSA-N 0 3 312.413 4.038 20 30 DIEDHN C=CC1(CC(=O)C(C#N)c2ncc(F)cc2F)CCCCC1 ZINC001123382216 1045580776 /nfs/dbraw/zinc/58/07/76/1045580776.db2.gz QFGORZAISSLXLO-ZDUSSCGKSA-N 0 3 304.340 4.063 20 30 DIEDHN CCCCCCCCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800459371 1045623085 /nfs/dbraw/zinc/62/30/85/1045623085.db2.gz MQKINGVESSIELI-QGZVFWFLSA-N 0 3 317.539 4.026 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000629202209 1045654407 /nfs/dbraw/zinc/65/44/07/1045654407.db2.gz SVHZVJOGLRFSQO-IRXDYDNUSA-N 0 3 322.452 4.080 20 30 DIEDHN CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C)cc1[O-] ZINC000800990365 1045678669 /nfs/dbraw/zinc/67/86/69/1045678669.db2.gz OMZMFLQQATZJKT-KRWDZBQOSA-N 0 3 314.816 4.467 20 30 DIEDHN N#CCOc1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000752786084 1045705217 /nfs/dbraw/zinc/70/52/17/1045705217.db2.gz MEHUAFJGTINXDQ-SFHVURJKSA-N 0 3 312.800 4.019 20 30 DIEDHN C=C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000753540711 1045758697 /nfs/dbraw/zinc/75/86/97/1045758697.db2.gz FFPHBSSKDMJVOZ-UHFFFAOYSA-N 0 3 309.409 4.123 20 30 DIEDHN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC(C)(C)C1 ZINC000452109002 1045774091 /nfs/dbraw/zinc/77/40/91/1045774091.db2.gz WWZDIKJKHRRKKA-UHFFFAOYSA-N 0 3 324.428 4.007 20 30 DIEDHN CC(C)Oc1cccc([C@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000192150884 1045785857 /nfs/dbraw/zinc/78/58/57/1045785857.db2.gz IWQPAVBXIXDFGZ-AWEZNQCLSA-N 0 3 312.388 4.335 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860059 1045812631 /nfs/dbraw/zinc/81/26/31/1045812631.db2.gz XZNFCHBOVIAUJK-QZTJIDSGSA-N 0 3 300.352 4.254 20 30 DIEDHN CN(Cc1c[nH]c2ccc(Cl)cc12)Cc1ccc(C#N)cc1 ZINC001137713179 1045943306 /nfs/dbraw/zinc/94/33/06/1045943306.db2.gz ZMKUFJAZFFUWLI-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CCCCCCC[C@@H](CCC)OCCCN1CCN(C)CC1 ZINC001206597668 1045997281 /nfs/dbraw/zinc/99/72/81/1045997281.db2.gz ZTLJGMRZRQFFCT-LJQANCHMSA-N 0 3 312.542 4.170 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453247554 1046003939 /nfs/dbraw/zinc/00/39/39/1046003939.db2.gz NSVIEHSGOHHYSG-PMACEKPBSA-N 0 3 324.374 4.491 20 30 DIEDHN CCNc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000902600507 1046031989 /nfs/dbraw/zinc/03/19/89/1046031989.db2.gz FFYWQGQHNXFFQP-HXUWFJFHSA-N 0 3 305.425 4.157 20 30 DIEDHN Cc1ccc2cc([C@H](C)NCc3ccc(OCC#N)cc3)oc2c1 ZINC000756041333 1046042284 /nfs/dbraw/zinc/04/22/84/1046042284.db2.gz LEVLVTHIOYXOMU-HNNXBMFYSA-N 0 3 320.392 4.494 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731666 1046053676 /nfs/dbraw/zinc/05/36/76/1046053676.db2.gz NTWPXGQBGIVVCV-JLTOFOAXSA-N 0 3 321.424 4.319 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000453381470 1046058837 /nfs/dbraw/zinc/05/88/37/1046058837.db2.gz LEXPEEKOLFRQJY-HXPMCKFVSA-N 0 3 312.363 4.250 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000193696964 1046061273 /nfs/dbraw/zinc/06/12/73/1046061273.db2.gz JOLGGRRGXNSADV-LBPRGKRZSA-N 0 3 318.779 4.232 20 30 DIEDHN C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453367186 1046066953 /nfs/dbraw/zinc/06/69/53/1046066953.db2.gz PSQVKATYEKHTJC-OAHLLOKOSA-N 0 3 321.486 4.020 20 30 DIEDHN CCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 ZINC000453368197 1046067863 /nfs/dbraw/zinc/06/78/63/1046067863.db2.gz QDOVEZADDATKBB-IBGZPJMESA-N 0 3 312.388 4.337 20 30 DIEDHN N#CC(=C([O-])C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000194087291 1046092268 /nfs/dbraw/zinc/09/22/68/1046092268.db2.gz BECPVLOOVUFZOG-VNDWYCCKSA-N 0 3 319.389 4.045 20 30 DIEDHN N#CC(C(=O)C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000194087291 1046092280 /nfs/dbraw/zinc/09/22/80/1046092280.db2.gz BECPVLOOVUFZOG-VNDWYCCKSA-N 0 3 319.389 4.045 20 30 DIEDHN CC[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cccc(C#N)c1 ZINC000902919546 1046114291 /nfs/dbraw/zinc/11/42/91/1046114291.db2.gz MWFVQXIJDLQIID-QGZVFWFLSA-N 0 3 320.392 4.017 20 30 DIEDHN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902954129 1046125535 /nfs/dbraw/zinc/12/55/35/1046125535.db2.gz QTORAENEGIRVSP-SIFCLUCFSA-N 0 3 305.425 4.318 20 30 DIEDHN CC[C@H](N[C@@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072395 1046155026 /nfs/dbraw/zinc/15/50/26/1046155026.db2.gz KWWJFBBRAMNWDW-AZUAARDMSA-N 0 3 321.424 4.154 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccccc2)cc1OC ZINC001138345397 1046155536 /nfs/dbraw/zinc/15/55/36/1046155536.db2.gz FGTYVWLGSDNAOF-IBGZPJMESA-N 0 3 321.420 4.044 20 30 DIEDHN C#CC[C@H](NCc1cc(Br)cs1)c1ccccc1 ZINC000756998709 1046158265 /nfs/dbraw/zinc/15/82/65/1046158265.db2.gz ZXHAZYZDJXTGMQ-HNNXBMFYSA-N 0 3 320.255 4.365 20 30 DIEDHN CC(=O)OCc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000903103566 1046163729 /nfs/dbraw/zinc/16/37/29/1046163729.db2.gz KABMKPBTLRSQGR-CABCVRRESA-N 0 3 322.408 4.033 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131157 1046169864 /nfs/dbraw/zinc/16/98/64/1046169864.db2.gz QXYIUQHFZOONKV-IERDGZPVSA-N 0 3 321.420 4.165 20 30 DIEDHN C#Cc1cccc(CN[C@H](c2ccccc2F)C2CCOCC2)c1 ZINC000903183461 1046187093 /nfs/dbraw/zinc/18/70/93/1046187093.db2.gz OTSRICLHOHJDQB-NRFANRHFSA-N 0 3 323.411 4.065 20 30 DIEDHN COc1ccc(-c2ccc(CN3CCC(C#N)CC3)cc2)cc1 ZINC001138515083 1046206115 /nfs/dbraw/zinc/20/61/15/1046206115.db2.gz JWUXSLJYXFHOKY-UHFFFAOYSA-N 0 3 306.409 4.098 20 30 DIEDHN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198178 1046220961 /nfs/dbraw/zinc/22/09/61/1046220961.db2.gz SNWFUEGRJUMSTA-OXQOHEQNSA-N 0 3 320.436 4.225 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC001138559045 1046224807 /nfs/dbraw/zinc/22/48/07/1046224807.db2.gz NAMQOOBIEHAWIX-NRFANRHFSA-N 0 3 321.420 4.044 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000245503528 1046238457 /nfs/dbraw/zinc/23/84/57/1046238457.db2.gz IHAMHONTJXTJRP-HUUCEWRRSA-N 0 3 312.388 4.310 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c1[O-] ZINC001138627728 1046247102 /nfs/dbraw/zinc/24/71/02/1046247102.db2.gz FBTVOTWFGFWWLF-HNNXBMFYSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c1[O-] ZINC001138627728 1046247110 /nfs/dbraw/zinc/24/71/10/1046247110.db2.gz FBTVOTWFGFWWLF-HNNXBMFYSA-N 0 3 311.425 4.322 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903336541 1046247938 /nfs/dbraw/zinc/24/79/38/1046247938.db2.gz ZXTLDHZBZQOQSH-TZIWHRDSSA-N 0 3 317.436 4.462 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406700 1046266597 /nfs/dbraw/zinc/26/65/97/1046266597.db2.gz YGHHFJSPUZMLDV-FOIQADDNSA-N 0 3 322.456 4.357 20 30 DIEDHN COc1cc(C)c(CN2CCc3cc(C#N)ccc3C2)c(C)c1C ZINC001138725900 1046279838 /nfs/dbraw/zinc/27/98/38/1046279838.db2.gz SZAMCQQEZYDWRP-UHFFFAOYSA-N 0 3 320.436 4.050 20 30 DIEDHN CC(C)COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC001138970649 1046345742 /nfs/dbraw/zinc/34/57/42/1046345742.db2.gz UVFVAHCSYGYUSM-UHFFFAOYSA-N 0 3 308.425 4.225 20 30 DIEDHN N#Cc1ccc(F)cc1CN(Cc1ccccc1O)C1CCCC1 ZINC000759343339 1046346391 /nfs/dbraw/zinc/34/63/91/1046346391.db2.gz UFNCAPMTWZRAPX-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270199 1046362659 /nfs/dbraw/zinc/36/26/59/1046362659.db2.gz UTRYADUVXSSIMZ-DJJJIMSYSA-N 0 3 310.372 4.066 20 30 DIEDHN C=CCOc1ccccc1CN1CCC2(CC[C@@H](F)C2)CC1 ZINC001139030416 1046365901 /nfs/dbraw/zinc/36/59/01/1046365901.db2.gz MOUWWXLVMYWQAH-QGZVFWFLSA-N 0 3 303.421 4.356 20 30 DIEDHN CCN(CC)c1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000759645370 1046367984 /nfs/dbraw/zinc/36/79/84/1046367984.db2.gz ZUXWQLHBIRLQJM-UHFFFAOYSA-N 0 3 307.441 4.036 20 30 DIEDHN Cc1c([C@H](C)N[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829691 1046378864 /nfs/dbraw/zinc/37/88/64/1046378864.db2.gz DYPFOTFFLNEIDD-KGLIPLIRSA-N 0 3 309.369 4.187 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830368 1046379162 /nfs/dbraw/zinc/37/91/62/1046379162.db2.gz OLSBFGSZJJVIPM-VLIAUNLRSA-N 0 3 306.409 4.295 20 30 DIEDHN Cc1c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829692 1046379746 /nfs/dbraw/zinc/37/97/46/1046379746.db2.gz DYPFOTFFLNEIDD-UONOGXRCSA-N 0 3 309.369 4.187 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745245 1046401973 /nfs/dbraw/zinc/40/19/73/1046401973.db2.gz HTKYZFLCZFZTJH-BONVTDFDSA-N 0 3 315.417 4.191 20 30 DIEDHN C=CC[C@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639889782 1046435162 /nfs/dbraw/zinc/43/51/62/1046435162.db2.gz JBGPEGMYXXLCKZ-HNNXBMFYSA-N 0 3 319.408 4.288 20 30 DIEDHN C[C@@H]1C[C@@H](C)CCN1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425912 1046449250 /nfs/dbraw/zinc/44/92/50/1046449250.db2.gz XYJIRWUVJHJFJT-JKSUJKDBSA-N 0 3 321.424 4.366 20 30 DIEDHN C=C(CNCc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000677244768 1046477525 /nfs/dbraw/zinc/47/75/25/1046477525.db2.gz GQWGWVPLZGRTET-UHFFFAOYSA-N 0 3 307.315 4.230 20 30 DIEDHN N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826862100 1046478952 /nfs/dbraw/zinc/47/89/52/1046478952.db2.gz UPNDMGHNILOJOK-INIZCTEOSA-N 0 3 306.409 4.185 20 30 DIEDHN N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826862100 1046478964 /nfs/dbraw/zinc/47/89/64/1046478964.db2.gz UPNDMGHNILOJOK-INIZCTEOSA-N 0 3 306.409 4.185 20 30 DIEDHN N#Cc1cccc2c(CN3CC=C(c4ccccc4)CC3)c[nH]c21 ZINC001139706160 1046502617 /nfs/dbraw/zinc/50/26/17/1046502617.db2.gz MONAABUVFDTDCJ-UHFFFAOYSA-N 0 3 313.404 4.329 20 30 DIEDHN N#Cc1cccc2c(CN3C[C@@H]4C[C@H](C3)c3ccccc34)c[nH]c21 ZINC001139706957 1046504590 /nfs/dbraw/zinc/50/45/90/1046504590.db2.gz LNDRXEYQDQXUEP-IYBDPMFKSA-N 0 3 313.404 4.126 20 30 DIEDHN Cc1ccc(CN2CCC[C@H](OCc3ccccc3)C2)cc1C#N ZINC001139726000 1046506070 /nfs/dbraw/zinc/50/60/70/1046506070.db2.gz MHBAICHLODOCFM-NRFANRHFSA-N 0 3 320.436 4.048 20 30 DIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(C)c(C#N)c2)cc1 ZINC001139724650 1046506120 /nfs/dbraw/zinc/50/61/20/1046506120.db2.gz YQVBUNXLTPFKRO-HXUWFJFHSA-N 0 3 306.409 4.212 20 30 DIEDHN COc1cccc([C@@H]2CCCN2Cc2ccc(C)c(C#N)c2)c1 ZINC001139725822 1046507610 /nfs/dbraw/zinc/50/76/10/1046507610.db2.gz DOGSRPZYRAFPPK-FQEVSTJZSA-N 0 3 306.409 4.212 20 30 DIEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCCc2ccccc21 ZINC000536594457 1046508232 /nfs/dbraw/zinc/50/82/32/1046508232.db2.gz JUEVQABAMRFOPI-IBGZPJMESA-N 0 3 306.409 4.076 20 30 DIEDHN C=CCn1cc(CN2CCCC[C@H]2c2ccc(C)c(C)c2)cn1 ZINC001139770911 1046514170 /nfs/dbraw/zinc/51/41/70/1046514170.db2.gz GTOMXQBESQIXMH-FQEVSTJZSA-N 0 3 309.457 4.413 20 30 DIEDHN C=C(C)CN(CC)Cc1cnc(-c2ccc(OC)cc2)s1 ZINC001139791647 1046517472 /nfs/dbraw/zinc/51/74/72/1046517472.db2.gz LAVAKPIZHJZMAH-UHFFFAOYSA-N 0 3 302.443 4.217 20 30 DIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCCCC2)nc1 ZINC000783300155 1046577351 /nfs/dbraw/zinc/57/73/51/1046577351.db2.gz IZQAONQISBHNKL-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCCC2)nc1 ZINC000783300156 1046577866 /nfs/dbraw/zinc/57/78/66/1046577866.db2.gz IZQAONQISBHNKL-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN C#CCN(Cc1cc(C)c(O)cc1C)[C@@H]1CCc2ccccc21 ZINC001140201616 1046614298 /nfs/dbraw/zinc/61/42/98/1046614298.db2.gz SKAJROJHIXVFNL-HXUWFJFHSA-N 0 3 305.421 4.132 20 30 DIEDHN C=CCCC[C@H](C)N[C@H](C)c1nc(Br)cs1 ZINC000834702493 1046651908 /nfs/dbraw/zinc/65/19/08/1046651908.db2.gz PFOMWIIBVJSZBG-VHSXEESVSA-N 0 3 303.269 4.301 20 30 DIEDHN C#CCN(Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCc2ccccc21 ZINC001137339879 1046653483 /nfs/dbraw/zinc/65/34/83/1046653483.db2.gz IEWVMCYIYVVROU-OAQYLSRUSA-N 0 3 318.395 4.430 20 30 DIEDHN C=CCCOCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000678606925 1046677020 /nfs/dbraw/zinc/67/70/20/1046677020.db2.gz YUWIJWBVONHWPS-AWEZNQCLSA-N 0 3 300.229 4.163 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838904 1046685667 /nfs/dbraw/zinc/68/56/67/1046685667.db2.gz IZNAFDUNKOOWMA-PXAZEXFGSA-N 0 3 311.816 4.335 20 30 DIEDHN C=CCCC[C@H](C)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715867 1046690895 /nfs/dbraw/zinc/69/08/95/1046690895.db2.gz GSYCQHNAIMEVBZ-GARJFASQSA-N 0 3 303.290 4.404 20 30 DIEDHN C#CC[C@H](NCc1cc(C)c2ncccc2c1)c1ccccc1 ZINC000784588429 1046697996 /nfs/dbraw/zinc/69/79/96/1046697996.db2.gz MUAZAYGVNZTWTB-FQEVSTJZSA-N 0 3 300.405 4.397 20 30 DIEDHN C#Cc1cccc(CN[C@H]2CCSc3ccc(OC)cc32)c1 ZINC000834901770 1046711715 /nfs/dbraw/zinc/71/17/15/1046711715.db2.gz BQZCCSSXDFHCPL-SFHVURJKSA-N 0 3 309.434 4.003 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000834902315 1046713747 /nfs/dbraw/zinc/71/37/47/1046713747.db2.gz GVENOEIVCKYFQD-IBGZPJMESA-N 0 3 311.404 4.004 20 30 DIEDHN C=CCC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000796723186 1046722087 /nfs/dbraw/zinc/72/20/87/1046722087.db2.gz KMXUEXZBWKJMRI-SFHVURJKSA-N 0 3 310.441 4.459 20 30 DIEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCCc2ccccc21 ZINC000533443730 1046727194 /nfs/dbraw/zinc/72/71/94/1046727194.db2.gz MBZUUBVORFJEMK-IBGZPJMESA-N 0 3 306.409 4.076 20 30 DIEDHN C=CCC[C@H](NC[C@@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943496 1046761496 /nfs/dbraw/zinc/76/14/96/1046761496.db2.gz ZHLXEAOYEWIPGY-FUHWJXTLSA-N 0 3 319.832 4.438 20 30 DIEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000797550597 1046844638 /nfs/dbraw/zinc/84/46/38/1046844638.db2.gz SOXOCGOBPSMPLD-ZUXXIDCJSA-N 0 3 316.360 4.054 20 30 DIEDHN C=CCOCCN[C@@H](C)c1ccccc1OCc1ccccc1 ZINC000679576819 1046874660 /nfs/dbraw/zinc/87/46/60/1046874660.db2.gz VPUQUCIUTMAANG-KRWDZBQOSA-N 0 3 311.425 4.119 20 30 DIEDHN CCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127657055 1046886816 /nfs/dbraw/zinc/88/68/16/1046886816.db2.gz FZUXSSAPMGHMMG-INIZCTEOSA-N 0 3 300.402 4.003 20 30 DIEDHN N#Cc1c(F)cc(CN(Cc2ccccc2)C2CCC2)cc1F ZINC001140755843 1046887365 /nfs/dbraw/zinc/88/73/65/1046887365.db2.gz VKBXWGQRWFKBRD-UHFFFAOYSA-N 0 3 312.363 4.391 20 30 DIEDHN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000797939814 1046909175 /nfs/dbraw/zinc/90/91/75/1046909175.db2.gz JSYNXTRLLQTOQU-TZMCWYRMSA-N 0 3 314.335 4.237 20 30 DIEDHN C[C@H](NCc1cccc(OCC#N)c1)c1ccc(Cl)s1 ZINC000037284529 1046981879 /nfs/dbraw/zinc/98/18/79/1046981879.db2.gz DVXAHPQVTDGZOO-NSHDSACASA-N 0 3 306.818 4.155 20 30 DIEDHN C=C(Br)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000798928737 1046986594 /nfs/dbraw/zinc/98/65/94/1046986594.db2.gz DDBVRFICXKOLMU-JTQLQIEISA-N 0 3 322.168 4.135 20 30 DIEDHN N#Cc1c(N)sc(CN2CCC[C@H]3CCCC[C@H]32)c1Cl ZINC001141114175 1047017115 /nfs/dbraw/zinc/01/71/15/1047017115.db2.gz GPQZHGWVDAFHIZ-ZYHUDNBSSA-N 0 3 309.866 4.010 20 30 DIEDHN N#Cc1c(N)sc(CN2CCC[C@@H]3CCCC[C@H]32)c1Cl ZINC001141114173 1047016735 /nfs/dbraw/zinc/01/67/35/1047016735.db2.gz GPQZHGWVDAFHIZ-CMPLNLGQSA-N 0 3 309.866 4.010 20 30 DIEDHN N#Cc1c(N)sc(CN2CCC3(C2)CCCCC3)c1Cl ZINC001141115732 1047016920 /nfs/dbraw/zinc/01/69/20/1047016920.db2.gz GWDMCRCBUWLQRY-UHFFFAOYSA-N 0 3 309.866 4.012 20 30 DIEDHN N#Cc1c(N)sc(CN2CCC[C@@H]3CCCC[C@@H]32)c1Cl ZINC001141114174 1047018350 /nfs/dbraw/zinc/01/83/50/1047018350.db2.gz GPQZHGWVDAFHIZ-JQWIXIFHSA-N 0 3 309.866 4.010 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141118280 1047019498 /nfs/dbraw/zinc/01/94/98/1047019498.db2.gz RQSMSLJCHOHMPZ-OHFIKTQHSA-N 0 3 321.399 4.154 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccccc2SC)cc1 ZINC000799345174 1047020440 /nfs/dbraw/zinc/02/04/40/1047020440.db2.gz UMGSDVQNPCPCNO-HNNXBMFYSA-N 0 3 311.450 4.271 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000536668684 1047049212 /nfs/dbraw/zinc/04/92/12/1047049212.db2.gz NMGZJSQNNOXMLS-FQEVSTJZSA-N 0 3 308.425 4.292 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719335 1047055358 /nfs/dbraw/zinc/05/53/58/1047055358.db2.gz ZSQQCJARUNTWMW-RBUKOAKNSA-N 0 3 308.425 4.375 20 30 DIEDHN N#Cc1ccc(Oc2ccc(CN3CCC(F)CC3)cc2)cc1 ZINC001141289807 1047077775 /nfs/dbraw/zinc/07/77/75/1047077775.db2.gz PEMJPTKYGZAJSR-UHFFFAOYSA-N 0 3 310.372 4.284 20 30 DIEDHN COc1ccsc1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001141326922 1047093778 /nfs/dbraw/zinc/09/37/78/1047093778.db2.gz WXQNAQKSLYGGDE-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@H](NCCc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC001116519241 1047151645 /nfs/dbraw/zinc/15/16/45/1047151645.db2.gz MYORKRREKYFBRT-NSHDSACASA-N 0 3 320.770 4.383 20 30 DIEDHN CCN(Cc1cc(C#N)ccc1Br)C1CCCCC1 ZINC001141654733 1047248322 /nfs/dbraw/zinc/24/83/22/1047248322.db2.gz IIDKTKHIPDNSQJ-UHFFFAOYSA-N 0 3 321.262 4.475 20 30 DIEDHN CCN(Cc1cc(Br)ccc1C#N)C1CCCCC1 ZINC001141894474 1047305075 /nfs/dbraw/zinc/30/50/75/1047305075.db2.gz LXWICHXDFLRBPQ-UHFFFAOYSA-N 0 3 321.262 4.475 20 30 DIEDHN C=C(C)c1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000898310872 1047337354 /nfs/dbraw/zinc/33/73/54/1047337354.db2.gz MRAYHOQJBOCJAX-UHFFFAOYSA-N 0 3 307.441 4.191 20 30 DIEDHN C#Cc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000840962140 1047365328 /nfs/dbraw/zinc/36/53/28/1047365328.db2.gz FWGZJKGFVABCAT-NRFANRHFSA-N 0 3 317.432 4.022 20 30 DIEDHN CC[C@@H](C)Oc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000749701640 1047430897 /nfs/dbraw/zinc/43/08/97/1047430897.db2.gz SFMZCMAMTWQZEQ-OAHLLOKOSA-N 0 3 324.424 4.034 20 30 DIEDHN CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841760229 1047453295 /nfs/dbraw/zinc/45/32/95/1047453295.db2.gz DFSMJQSZROVLOM-MOPGFXCFSA-N 0 3 306.409 4.382 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2nc(Cl)ccc21 ZINC000841763404 1047455420 /nfs/dbraw/zinc/45/54/20/1047455420.db2.gz XDOLNWKIKUCPRC-SJORKVTESA-N 0 3 323.827 4.261 20 30 DIEDHN C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000841761858 1047455744 /nfs/dbraw/zinc/45/57/44/1047455744.db2.gz LWCYZJDDTLPMNV-SGTLLEGYSA-N 0 3 310.372 4.131 20 30 DIEDHN CC1(C)CCc2cc(CNCc3ccc(CC#N)cc3)ccc2O1 ZINC000842719739 1047499965 /nfs/dbraw/zinc/49/99/65/1047499965.db2.gz KBLCVCHFLKQQMW-UHFFFAOYSA-N 0 3 320.436 4.146 20 30 DIEDHN N#CC(C(=O)C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802895 1047505535 /nfs/dbraw/zinc/50/55/35/1047505535.db2.gz KTPBXTYIHNUOCG-CFHLNLSMSA-N 0 3 308.303 4.023 20 30 DIEDHN C[C@H](c1ccco1)N(CCCOc1cccc(C#N)c1)C1CC1 ZINC000477648100 1047629333 /nfs/dbraw/zinc/62/93/33/1047629333.db2.gz XKCVSMULLCXVKC-OAHLLOKOSA-N 0 3 310.397 4.146 20 30 DIEDHN CCCN1CCCC[C@@H]1c1ccc(NC2=CC(=O)CCC2)nc1 ZINC001155709578 1047687283 /nfs/dbraw/zinc/68/72/83/1047687283.db2.gz PYOBJXRJNVAXSD-GOSISDBHSA-N 0 3 313.445 4.067 20 30 DIEDHN CC(C)(NC(C)(C)c1ccnc(Cl)c1)c1ccc(C#N)cc1 ZINC001156433811 1047713373 /nfs/dbraw/zinc/71/33/73/1047713373.db2.gz YHVDAQQXOSKDJE-UHFFFAOYSA-N 0 3 313.832 4.367 20 30 DIEDHN C=CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000538953200 1047720859 /nfs/dbraw/zinc/72/08/59/1047720859.db2.gz CGPZLVZDMWBPAE-UHFFFAOYSA-N 0 3 306.409 4.089 20 30 DIEDHN CCOc1c(Cl)cc(CN[C@@H](C)CC(C)(C)C#N)cc1OC ZINC000924714706 1047832118 /nfs/dbraw/zinc/83/21/18/1047832118.db2.gz CTAIMAUKKWTALV-LBPRGKRZSA-N 0 3 324.852 4.165 20 30 DIEDHN Cc1cnccc1Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001174538488 1047864547 /nfs/dbraw/zinc/86/45/47/1047864547.db2.gz HBORSDVKZGMSCC-UHFFFAOYSA-N 0 3 301.349 4.220 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2cc(C)c(F)cc2Br)C1 ZINC001183065194 1047886901 /nfs/dbraw/zinc/88/69/01/1047886901.db2.gz HZBKFKVDVPLNSS-GFCCVEGCSA-N 0 3 312.226 4.295 20 30 DIEDHN N#Cc1ccc(CN2CCC(CCc3ccccc3)CC2)s1 ZINC001197837358 1047887325 /nfs/dbraw/zinc/88/73/25/1047887325.db2.gz SFXYCCGWGPUDNX-UHFFFAOYSA-N 0 3 310.466 4.465 20 30 DIEDHN CCCCCCC[C@H](C)N[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326323 1048030670 /nfs/dbraw/zinc/03/06/70/1048030670.db2.gz CYZPJDIYAZYICL-BBRMVZONSA-N 0 3 310.869 4.205 20 30 DIEDHN CCCCCCC[C@@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000775972864 1048069047 /nfs/dbraw/zinc/06/90/47/1048069047.db2.gz YUAGSJYVRFHMSC-NVXWUHKLSA-N 0 3 300.450 4.233 20 30 DIEDHN Cc1cc(CN2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC001174984445 1048081497 /nfs/dbraw/zinc/08/14/97/1048081497.db2.gz OOAFCZGRNMFPFE-UHFFFAOYSA-N 0 3 311.454 4.005 20 30 DIEDHN CCOCCN(Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001175300041 1048238399 /nfs/dbraw/zinc/23/83/99/1048238399.db2.gz BJEMYRMEGNUJDE-OAQYLSRUSA-N 0 3 320.436 4.084 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000776165808 1048261351 /nfs/dbraw/zinc/26/13/51/1048261351.db2.gz WYFGOOFFYKNZJJ-DNVCBOLYSA-N 0 3 319.408 4.090 20 30 DIEDHN C=CCOc1cc(C)nc(NCCP(C(C)C)C(C)C)n1 ZINC001162361671 1048267884 /nfs/dbraw/zinc/26/78/84/1048267884.db2.gz BMXSKSPMPYVDLO-UHFFFAOYSA-N 0 3 309.394 4.060 20 30 DIEDHN N#Cc1ccccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201474776 1048293671 /nfs/dbraw/zinc/29/36/71/1048293671.db2.gz KZLNDTQGZKTRCD-UXHICEINSA-N 0 3 315.420 4.291 20 30 DIEDHN CCN1CCCC[C@@H]1c1ccc(N[C@@](C)(C#N)CC(C)C)nc1 ZINC001162520294 1048295628 /nfs/dbraw/zinc/29/56/28/1048295628.db2.gz WMWGNZYNOJAYLP-IEBWSBKVSA-N 0 3 314.477 4.369 20 30 DIEDHN Cc1ccc(C#N)c(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175504611 1048338626 /nfs/dbraw/zinc/33/86/26/1048338626.db2.gz COHHCIZKTVBPFO-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN N#CCc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1F ZINC001175506700 1048346580 /nfs/dbraw/zinc/34/65/80/1048346580.db2.gz DNEHWKLEXGRTLV-UHFFFAOYSA-N 0 3 321.399 4.093 20 30 DIEDHN CC(C)[C@@H](C#N)c1ccc(-n2c3ccccc3nc2[C@H](C)N)cc1 ZINC001162777275 1048358407 /nfs/dbraw/zinc/35/84/07/1048358407.db2.gz OTQHULBJEPQLRA-WMLDXEAASA-N 0 3 318.424 4.308 20 30 DIEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)C1(F)F ZINC000600184204 1048385465 /nfs/dbraw/zinc/38/54/65/1048385465.db2.gz OCXHOVSBEHJJSJ-GASCZTMLSA-N 0 3 322.399 4.092 20 30 DIEDHN N#Cc1ccc(-c2ccc(N[C@@H]3CNCc4ccsc43)cc2)o1 ZINC001163230257 1048441303 /nfs/dbraw/zinc/44/13/03/1048441303.db2.gz UKDMXAZVNCMABQ-MRXNPFEDSA-N 0 3 321.405 4.136 20 30 DIEDHN Cc1c(Cl)cccc1CNCc1ccc(C#N)c(Cl)c1 ZINC001202142029 1048462101 /nfs/dbraw/zinc/46/21/01/1048462101.db2.gz DGWFIOANLIPODX-UHFFFAOYSA-N 0 3 305.208 4.463 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(Cl)sc1Cl ZINC001202185158 1048473174 /nfs/dbraw/zinc/47/31/74/1048473174.db2.gz YXMRSOBJQJMYGT-CABZTGNLSA-N 0 3 306.258 4.126 20 30 DIEDHN N=C(Nc1ccc2c(c1)C=CC2)c1ccc(C(F)(F)F)cc1 ZINC001163684046 1048503425 /nfs/dbraw/zinc/50/34/25/1048503425.db2.gz NSLIICGZPODTJN-UHFFFAOYSA-N 0 3 302.299 4.312 20 30 DIEDHN Cc1ccc2ncc(CN[C@H](C)c3cccc(C#N)c3)cc2c1 ZINC001176051476 1048553849 /nfs/dbraw/zinc/55/38/49/1048553849.db2.gz FLRQZFDQLOZXLF-OAHLLOKOSA-N 0 3 301.393 4.266 20 30 DIEDHN C#Cc1ccc(CNCc2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001202474498 1048585456 /nfs/dbraw/zinc/58/54/56/1048585456.db2.gz DIRPQXDNVRFVMN-UHFFFAOYSA-N 0 3 305.421 4.061 20 30 DIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCO2 ZINC000850451432 1048662643 /nfs/dbraw/zinc/66/26/43/1048662643.db2.gz ADHIZQIUNIISOW-HNNXBMFYSA-N 0 3 318.420 4.223 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850524767 1048678893 /nfs/dbraw/zinc/67/88/93/1048678893.db2.gz DGEOOMAHIYUJSD-PWRODBHTSA-N 0 3 318.420 4.094 20 30 DIEDHN CC(C)CN(Cc1cc(C#N)ccc1Br)C(C)C ZINC001190331982 1048718328 /nfs/dbraw/zinc/71/83/28/1048718328.db2.gz MZEYWBVKSNAJLG-UHFFFAOYSA-N 0 3 309.251 4.187 20 30 DIEDHN CCN(C)c1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775384784 1048734600 /nfs/dbraw/zinc/73/46/00/1048734600.db2.gz GLCMJYXOMMDBRB-HXUWFJFHSA-N 0 3 319.452 4.182 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1c1cccc(C)c1 ZINC001190476159 1048740196 /nfs/dbraw/zinc/74/01/96/1048740196.db2.gz PDIMGRRPPGGGJZ-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393060 1048748417 /nfs/dbraw/zinc/74/84/17/1048748417.db2.gz KOOTXTULXRVLCH-UXHICEINSA-N 0 3 303.409 4.238 20 30 DIEDHN CC(C)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396265 1048752924 /nfs/dbraw/zinc/75/29/24/1048752924.db2.gz VIBIVTSSNCPXJM-UYAOXDASSA-N 0 3 305.425 4.318 20 30 DIEDHN CC(C)c1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483244355 1048761971 /nfs/dbraw/zinc/76/19/71/1048761971.db2.gz NCLGQCLYMVJMBN-INIZCTEOSA-N 0 3 315.376 4.243 20 30 DIEDHN CCC[C@@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC001176782717 1048788011 /nfs/dbraw/zinc/78/80/11/1048788011.db2.gz MVRDAOWWHRHKTR-CQSZACIVSA-N 0 3 307.235 4.085 20 30 DIEDHN C=CCCCN(CC)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC001176797862 1048788726 /nfs/dbraw/zinc/78/87/26/1048788726.db2.gz GHMYMVHPDOYDEX-IAGOWNOFSA-N 0 3 314.473 4.031 20 30 DIEDHN C=C(CC)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001190847560 1048794815 /nfs/dbraw/zinc/79/48/15/1048794815.db2.gz PGDHENFPCPOIIO-UHFFFAOYSA-N 0 3 302.245 4.144 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000038003370 1048815285 /nfs/dbraw/zinc/81/52/85/1048815285.db2.gz ZMUJIPWOBYYADI-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)N[C@@H](c1ncccn1)C1CC1 ZINC000903324761 1048858862 /nfs/dbraw/zinc/85/88/62/1048858862.db2.gz QYLXHKNCNZLMCS-RTBURBONSA-N 0 3 307.441 4.095 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCCO3)ccc1C#N ZINC000852780147 1048861544 /nfs/dbraw/zinc/86/15/44/1048861544.db2.gz HMWUJCNQUKQFDZ-HNNXBMFYSA-N 0 3 306.409 4.043 20 30 DIEDHN N#Cc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1F ZINC000483955635 1048888217 /nfs/dbraw/zinc/88/82/17/1048888217.db2.gz DESUCNWIFYRMDV-HXUWFJFHSA-N 0 3 306.384 4.349 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC000483979701 1048889956 /nfs/dbraw/zinc/88/99/56/1048889956.db2.gz MBKIWONTHCRNAA-INIZCTEOSA-N 0 3 314.791 4.340 20 30 DIEDHN CCCCCCC[C@@H](C)CNCc1nc(Br)c[nH]1 ZINC001177428819 1048891904 /nfs/dbraw/zinc/89/19/04/1048891904.db2.gz IXNOHGLRDZTZOY-GFCCVEGCSA-N 0 3 316.287 4.258 20 30 DIEDHN C[C@H](NCc1cnc2c(F)cccc2c1)c1ccc(C#N)cc1 ZINC001177525636 1048906919 /nfs/dbraw/zinc/90/69/19/1048906919.db2.gz ZIBHFIIVWYTATA-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CC[C@H]1C(F)(F)F ZINC000484358527 1048927972 /nfs/dbraw/zinc/92/79/72/1048927972.db2.gz HBXYQGBPLRKRQB-OAHLLOKOSA-N 0 3 310.363 4.163 20 30 DIEDHN C#CCCCCCCN1CCC(C(=O)c2cccs2)CC1 ZINC001191455033 1048955386 /nfs/dbraw/zinc/95/53/86/1048955386.db2.gz SSUBSJSYNOVBIW-UHFFFAOYSA-N 0 3 303.471 4.227 20 30 DIEDHN Fc1ccc(C#CCN(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646908 1048975127 /nfs/dbraw/zinc/97/51/27/1048975127.db2.gz WLSLZMWUALGCOS-NRFANRHFSA-N 0 3 305.396 4.329 20 30 DIEDHN CC(C)c1nc(CNC(C)(C)Cc2ccc(C#N)cc2)cs1 ZINC001203750724 1048988333 /nfs/dbraw/zinc/98/83/33/1048988333.db2.gz OCTMZALWZMWISE-UHFFFAOYSA-N 0 3 313.470 4.249 20 30 DIEDHN C#CCC1(NCc2nc3c(s2)C[C@H](C)CC3)CCCCC1 ZINC001203808932 1049004061 /nfs/dbraw/zinc/00/40/61/1049004061.db2.gz BHHOPVAEVZWXNH-CQSZACIVSA-N 0 3 302.487 4.084 20 30 DIEDHN N#Cc1ccc(CNCc2cccc3ncccc23)cc1Cl ZINC001178561566 1049062367 /nfs/dbraw/zinc/06/23/67/1049062367.db2.gz LHKJMKKDRWJSGB-UHFFFAOYSA-N 0 3 307.784 4.050 20 30 DIEDHN CCCCCN(C)c1ccc(F)cc1CNCC1(CC#N)CC1 ZINC001178606103 1049066892 /nfs/dbraw/zinc/06/68/92/1049066892.db2.gz WJRXZSNTJANPGJ-UHFFFAOYSA-N 0 3 317.452 4.236 20 30 DIEDHN N#CC1(c2ccccc2)CCN(Cc2c[nH]c3ccccc23)CC1 ZINC001204041409 1049068303 /nfs/dbraw/zinc/06/83/03/1049068303.db2.gz KYMQVLPAZNQRIJ-UHFFFAOYSA-N 0 3 315.420 4.225 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC)c(O[C@H](C)CC)c2)cc1 ZINC001178758892 1049082783 /nfs/dbraw/zinc/08/27/83/1049082783.db2.gz MILYHYNCAVVREO-MRXNPFEDSA-N 0 3 323.436 4.144 20 30 DIEDHN C#Cc1ccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC001178758995 1049084288 /nfs/dbraw/zinc/08/42/88/1049084288.db2.gz QEBPGVDLQNDNPZ-UHFFFAOYSA-N 0 3 321.811 4.001 20 30 DIEDHN N#CCCOCCN1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000338996654 1049095817 /nfs/dbraw/zinc/09/58/17/1049095817.db2.gz GFZFADCOVPMDRK-KRWDZBQOSA-N 0 3 306.837 4.187 20 30 DIEDHN C=CC[C@@H](Cc1ccccc1)NCc1snc(OC)c1Cl ZINC001178939661 1049111623 /nfs/dbraw/zinc/11/16/23/1049111623.db2.gz NJJMMPHJKOALCM-ZDUSSCGKSA-N 0 3 322.861 4.082 20 30 DIEDHN C=CCCSCCNCc1cccc(C)c1Br ZINC001179099906 1049127623 /nfs/dbraw/zinc/12/76/23/1049127623.db2.gz ILGZURVNDVRWPD-UHFFFAOYSA-N 0 3 314.292 4.156 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2ccc(C)nc2)cc1 ZINC001204303915 1049134157 /nfs/dbraw/zinc/13/41/57/1049134157.db2.gz SOXUCMOTDFCGSR-HXUWFJFHSA-N 0 3 308.425 4.292 20 30 DIEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)cc2cccnc12 ZINC001179141222 1049135377 /nfs/dbraw/zinc/13/53/77/1049135377.db2.gz YRKCLTKOSIPDRT-UHFFFAOYSA-N 0 3 315.420 4.440 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001204321260 1049142028 /nfs/dbraw/zinc/14/20/28/1049142028.db2.gz IARKVTVLIBHGHJ-UHFFFAOYSA-N 0 3 306.453 4.475 20 30 DIEDHN C=CC(C)(C)CCNCc1c(F)cc(Br)cc1F ZINC001179232644 1049145720 /nfs/dbraw/zinc/14/57/20/1049145720.db2.gz LBMVRKORYWAOTD-UHFFFAOYSA-N 0 3 318.205 4.419 20 30 DIEDHN C#CC1(NCc2ccc(Cl)c(Br)c2)CCCC1 ZINC001179438487 1049164261 /nfs/dbraw/zinc/16/42/61/1049164261.db2.gz VOBJLRZOQVSIJL-UHFFFAOYSA-N 0 3 312.638 4.138 20 30 DIEDHN C=CCCC[C@H](NCc1cnc(N(C)C)s1)c1ccccc1 ZINC001179458726 1049169378 /nfs/dbraw/zinc/16/93/78/1049169378.db2.gz ZIJFDELTKPQPKF-KRWDZBQOSA-N 0 3 315.486 4.396 20 30 DIEDHN COc1ccc(C[C@H](C)CN(CCC#N)CCC(C)C)cc1F ZINC001204498293 1049176743 /nfs/dbraw/zinc/17/67/43/1049176743.db2.gz YOQPNACIDAEPEL-INIZCTEOSA-N 0 3 320.452 4.275 20 30 DIEDHN CSc1ccc(CNCc2cccc3[nH]ccc32)cc1C#N ZINC001179583362 1049186151 /nfs/dbraw/zinc/18/61/51/1049186151.db2.gz DNKVHJUFIXPTDE-UHFFFAOYSA-N 0 3 307.422 4.051 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000115622311 1049199483 /nfs/dbraw/zinc/19/94/83/1049199483.db2.gz RDRZKWKBWBHJSW-LPHOPBHVSA-N 0 3 323.440 4.168 20 30 DIEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001193508798 1049219258 /nfs/dbraw/zinc/21/92/58/1049219258.db2.gz SBYIWKDFGJQJET-CQSZACIVSA-N 0 3 310.363 4.445 20 30 DIEDHN CC(C)Cc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000858204529 1049226216 /nfs/dbraw/zinc/22/62/16/1049226216.db2.gz NJQIAIBPHBLBAW-QGZVFWFLSA-N 0 3 322.452 4.466 20 30 DIEDHN COc1cc(CN(C)Cc2ccc(C#N)cc2)cc2ccccc21 ZINC001204721381 1049240282 /nfs/dbraw/zinc/24/02/82/1049240282.db2.gz LKFMXZOHPKPLPU-UHFFFAOYSA-N 0 3 316.404 4.352 20 30 DIEDHN C=CCN(Cc1ccccc1F)CC1(CCCOC)CCC1 ZINC001204736147 1049245830 /nfs/dbraw/zinc/24/58/30/1049245830.db2.gz IFUFIXMUPZHJGC-UHFFFAOYSA-N 0 3 305.437 4.411 20 30 DIEDHN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484650 1049263192 /nfs/dbraw/zinc/26/31/92/1049263192.db2.gz XFENWBIZONEIRS-QRWLVFNGSA-N 0 3 321.424 4.176 20 30 DIEDHN CC(C)N(Cc1csc(C#N)c1)Cc1ccc(N(C)C)cc1 ZINC001180077567 1049275342 /nfs/dbraw/zinc/27/53/42/1049275342.db2.gz PSUASDPTWLXLII-UHFFFAOYSA-N 0 3 313.470 4.096 20 30 DIEDHN C=C(C)c1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC001180114803 1049288083 /nfs/dbraw/zinc/28/80/83/1049288083.db2.gz JLJKVWQLFADMDE-GOSISDBHSA-N 0 3 300.446 4.169 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2ccoc21 ZINC001204899917 1049305408 /nfs/dbraw/zinc/30/54/08/1049305408.db2.gz VGZQORSGNYVSID-UHFFFAOYSA-N 0 3 302.377 4.493 20 30 DIEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H]1c1cccs1 ZINC001180412793 1049361528 /nfs/dbraw/zinc/36/15/28/1049361528.db2.gz HLWKUKKOLOJMIY-QGZVFWFLSA-N 0 3 311.454 4.023 20 30 DIEDHN C#CCCN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001194376701 1049362966 /nfs/dbraw/zinc/36/29/66/1049362966.db2.gz LKBLFGADLSJCGU-KRWDZBQOSA-N 0 3 306.434 4.193 20 30 DIEDHN COc1cccc([C@@H]2C[C@@H](C)CN2CC#Cc2ccccc2)c1 ZINC001180834331 1049408412 /nfs/dbraw/zinc/40/84/12/1049408412.db2.gz DQKYQUXOMSAIRS-UTKZUKDTSA-N 0 3 305.421 4.130 20 30 DIEDHN CCCCCCC[C@@H](C)C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001181132636 1049444799 /nfs/dbraw/zinc/44/47/99/1049444799.db2.gz GKPWHMOASAHLIN-OAHLLOKOSA-N 0 3 315.461 4.218 20 30 DIEDHN CCCCCCC[C@@H](C)C(=O)NCCc1c[nH]c2ccncc12 ZINC001181132636 1049444804 /nfs/dbraw/zinc/44/48/04/1049444804.db2.gz GKPWHMOASAHLIN-OAHLLOKOSA-N 0 3 315.461 4.218 20 30 DIEDHN CC(C)Oc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1 ZINC000093492370 1049448484 /nfs/dbraw/zinc/44/84/84/1049448484.db2.gz IRXXHYVFCOLJTC-CYBMUJFWSA-N 0 3 300.427 4.258 20 30 DIEDHN Cc1cc(CN2CCCCC[C@H]2c2ccncc2)ccc1C#N ZINC000486800881 1049476230 /nfs/dbraw/zinc/47/62/30/1049476230.db2.gz KUZWZANHQYPVAR-FQEVSTJZSA-N 0 3 305.425 4.379 20 30 DIEDHN Cc1cc(CN2CCCCC[C@@H]2c2ccncc2)ccc1C#N ZINC000486800882 1049477036 /nfs/dbraw/zinc/47/70/36/1049477036.db2.gz KUZWZANHQYPVAR-HXUWFJFHSA-N 0 3 305.425 4.379 20 30 DIEDHN COc1cccc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)c1 ZINC000486801530 1049477176 /nfs/dbraw/zinc/47/71/76/1049477176.db2.gz UVNJKKKCCCHZFX-HXUWFJFHSA-N 0 3 306.409 4.212 20 30 DIEDHN CC1(c2ccccc2)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001205502232 1049487385 /nfs/dbraw/zinc/48/73/85/1049487385.db2.gz LTGWRAQPGSXROF-UHFFFAOYSA-N 0 3 308.400 4.251 20 30 DIEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773977779 1049572330 /nfs/dbraw/zinc/57/23/30/1049572330.db2.gz YJUWUMNZWSXDCD-RISCZKNCSA-N 0 3 320.820 4.060 20 30 DIEDHN C=CC[C@@H]1CCCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947183 1049599369 /nfs/dbraw/zinc/59/93/69/1049599369.db2.gz RBXXWFIGJXSFIL-JKSUJKDBSA-N 0 3 311.429 4.394 20 30 DIEDHN CCC#C[C@@H](C)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001196014082 1049604091 /nfs/dbraw/zinc/60/40/91/1049604091.db2.gz PXYMHWUWMFSIBK-OAHLLOKOSA-N 0 3 318.530 4.497 20 30 DIEDHN C#C[C@H](N[C@@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974143 1049615575 /nfs/dbraw/zinc/61/55/75/1049615575.db2.gz MGIJXRUKAXVHNR-UGSOOPFHSA-N 0 3 301.792 4.374 20 30 DIEDHN C#C[C@H](N[C@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987941 1049618548 /nfs/dbraw/zinc/61/85/48/1049618548.db2.gz BCFRIBYTCZLDRH-GJZGRUSLSA-N 0 3 304.231 4.046 20 30 DIEDHN COc1cccc(C2(NCc3c(C)cc(C#N)cc3C)CCC2)c1 ZINC001196376522 1049647585 /nfs/dbraw/zinc/64/75/85/1049647585.db2.gz XBOOLQRDFQHWMF-UHFFFAOYSA-N 0 3 320.436 4.353 20 30 DIEDHN CCN(Cc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000119992816 1049650352 /nfs/dbraw/zinc/65/03/52/1049650352.db2.gz AAUWCTGEWRYKNC-AWEZNQCLSA-N 0 3 300.427 4.061 20 30 DIEDHN Cc1ccc(OC2CCN(Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000488414483 1049651806 /nfs/dbraw/zinc/65/18/06/1049651806.db2.gz FGXOZRBWESCHJO-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001206094833 1049652118 /nfs/dbraw/zinc/65/21/18/1049652118.db2.gz XBHZMYRMJDAUOS-UHFFFAOYSA-N 0 3 324.211 4.152 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001206094282 1049652200 /nfs/dbraw/zinc/65/22/00/1049652200.db2.gz FDBCIXUOTNNQKO-UHFFFAOYSA-N 0 3 324.211 4.152 20 30 DIEDHN C=C(C)[C@@H](NC[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723833 1049666128 /nfs/dbraw/zinc/66/61/28/1049666128.db2.gz NWDLDOYBIUOSKE-RBUKOAKNSA-N 0 3 317.379 4.214 20 30 DIEDHN C[C@@H](NCCOCCC#N)c1ccccc1Oc1ccccc1 ZINC000339070276 1049672763 /nfs/dbraw/zinc/67/27/63/1049672763.db2.gz KUZCPYGLQWVOJU-MRXNPFEDSA-N 0 3 310.397 4.060 20 30 DIEDHN C[C@]12CCCC[C@H]1CN2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001196675591 1049681874 /nfs/dbraw/zinc/68/18/74/1049681874.db2.gz NOHVDEBRUFGXEV-RDJZCZTQSA-N 0 3 323.358 4.201 20 30 DIEDHN C[C@H](CNCC1(C#N)CCCC1)c1cccc(Br)c1 ZINC001182684857 1049699210 /nfs/dbraw/zinc/69/92/10/1049699210.db2.gz ODHZPAJWKQNBKK-CYBMUJFWSA-N 0 3 321.262 4.226 20 30 DIEDHN COc1ccc(C[C@H]2CCCCN2CC#Cc2ccccc2)cc1 ZINC001182765163 1049713757 /nfs/dbraw/zinc/71/37/57/1049713757.db2.gz QYWILCYSRSMCRE-OAQYLSRUSA-N 0 3 319.448 4.144 20 30 DIEDHN C[C@@H](Cc1ccc(Br)cc1)NCC1(C#N)CCCC1 ZINC001206517027 1049749096 /nfs/dbraw/zinc/74/90/96/1049749096.db2.gz KKHPREGUKNEUDY-ZDUSSCGKSA-N 0 3 321.262 4.054 20 30 DIEDHN CN(Cc1cc(C#N)ccc1Br)C1(C)CCCC1 ZINC000489835197 1049783392 /nfs/dbraw/zinc/78/33/92/1049783392.db2.gz FLKONERJBUICGB-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN Cc1ccc(F)cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000490406298 1049830923 /nfs/dbraw/zinc/83/09/23/1049830923.db2.gz ZKDBXUDOKPIMRL-UHFFFAOYSA-N 0 3 306.384 4.295 20 30 DIEDHN C=CCN(CCc1c(Cl)ncnc1Cl)Cc1ccccc1 ZINC001207331635 1049880655 /nfs/dbraw/zinc/88/06/55/1049880655.db2.gz PDTBMWYGGUXJSI-UHFFFAOYSA-N 0 3 322.239 4.014 20 30 DIEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1C(C)(C)C#N ZINC000571746004 1049947262 /nfs/dbraw/zinc/94/72/62/1049947262.db2.gz KAOMGCVTGFIRMK-UHFFFAOYSA-N 0 3 324.472 4.140 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC001207894191 1049950147 /nfs/dbraw/zinc/95/01/47/1049950147.db2.gz CWAUSCBRSHVIGE-LAUBAEHRSA-N 0 3 320.436 4.300 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC001207894760 1049950493 /nfs/dbraw/zinc/95/04/93/1049950493.db2.gz WKMPWVSYMXFFTM-DYESRHJHSA-N 0 3 320.436 4.300 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(N2CCCCC2=O)CC1 ZINC001208118045 1049974570 /nfs/dbraw/zinc/97/45/70/1049974570.db2.gz BROZTUDMTKTTNB-CSKARUKUSA-N 0 3 320.521 4.380 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000588203923 1049975950 /nfs/dbraw/zinc/97/59/50/1049975950.db2.gz YOWIYBMGUTZESS-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN N#Cc1ccc(CCCN2CCc3c(Cl)cccc3C2)cc1 ZINC001208863145 1050018832 /nfs/dbraw/zinc/01/88/32/1050018832.db2.gz YRZBUDPBOFXXNJ-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN C=CCN(CCCOc1ccc(OC)cc1)Cc1cccs1 ZINC000589260436 1050025722 /nfs/dbraw/zinc/02/57/22/1050025722.db2.gz JDTHSZXZIJNFJD-UHFFFAOYSA-N 0 3 317.454 4.214 20 30 DIEDHN CC(C)[C@H](CNCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000589319230 1050028959 /nfs/dbraw/zinc/02/89/59/1050028959.db2.gz MSPMOHINLRTPRB-HNNXBMFYSA-N 0 3 319.861 4.198 20 30 DIEDHN CC(C)(C#N)CNCC(Cc1ccccc1)Cc1ccccc1 ZINC000589511257 1050042469 /nfs/dbraw/zinc/04/24/69/1050042469.db2.gz BWMINVYCAZVUQC-UHFFFAOYSA-N 0 3 306.453 4.227 20 30 DIEDHN C=CCN(C)Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001209669922 1050076101 /nfs/dbraw/zinc/07/61/01/1050076101.db2.gz ZAJMZDPBJIXLMB-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN C[C@]1(C#N)CCCN(CC(c2ccccc2)c2ccccc2)C1 ZINC000590362427 1050089964 /nfs/dbraw/zinc/08/99/64/1050089964.db2.gz HFDMKEDUMYVBRH-OAQYLSRUSA-N 0 3 304.437 4.444 20 30 DIEDHN Fc1cccc(OC(F)(F)F)c1CNCCCC(F)(F)F ZINC000573029538 1050116574 /nfs/dbraw/zinc/11/65/74/1050116574.db2.gz QENQBHRVJSDVSK-UHFFFAOYSA-N 0 3 319.220 4.156 20 30 DIEDHN C=CC[C@H](NCc1ccc2c(c1)OCCCCO2)c1ccncc1 ZINC000823887680 1050166053 /nfs/dbraw/zinc/16/60/53/1050166053.db2.gz NFJHIQXKUXNZKY-SFHVURJKSA-N 0 3 324.424 4.040 20 30 DIEDHN C=CCOCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000347970262 1050166201 /nfs/dbraw/zinc/16/62/01/1050166201.db2.gz MVAXFFNFLSYIOA-HNNXBMFYSA-N 0 3 302.443 4.026 20 30 DIEDHN C=CCOCCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000348047072 1050175037 /nfs/dbraw/zinc/17/50/37/1050175037.db2.gz KXADCNHBOXXCAU-CQSZACIVSA-N 0 3 305.315 4.002 20 30 DIEDHN C#CCCN(Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000760844204 1050178631 /nfs/dbraw/zinc/17/86/31/1050178631.db2.gz NMTTYZYDDHDAEO-FQEVSTJZSA-N 0 3 321.420 4.044 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2coc3ccccc23)cc1 ZINC000734004067 1050213098 /nfs/dbraw/zinc/21/30/98/1050213098.db2.gz KSWZHZQBLKKOLV-AWEZNQCLSA-N 0 3 306.365 4.013 20 30 DIEDHN N#CC1(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171058917 1050221550 /nfs/dbraw/zinc/22/15/50/1050221550.db2.gz MSIJEENVDSJZBG-ZDUSSCGKSA-N 0 3 309.240 4.134 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000573668765 1050233432 /nfs/dbraw/zinc/23/34/32/1050233432.db2.gz PHMJTKZGVQXBFV-UWWQBHOKSA-N 0 3 315.848 4.399 20 30 DIEDHN C=CC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000734508693 1050278633 /nfs/dbraw/zinc/27/86/33/1050278633.db2.gz BVKWIHLFCZXJHN-HXUWFJFHSA-N 0 3 321.424 4.171 20 30 DIEDHN CC1(C)Cc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785615670 1050399817 /nfs/dbraw/zinc/39/98/17/1050399817.db2.gz RZOYJWCQFBCNKD-IBGZPJMESA-N 0 3 318.420 4.049 20 30 DIEDHN COc1cccc2cc(CN[C@H]3CCc4cc(C#N)ccc43)oc21 ZINC000785617833 1050399858 /nfs/dbraw/zinc/39/98/58/1050399858.db2.gz WASYZOCFHWMVNF-SFHVURJKSA-N 0 3 318.376 4.090 20 30 DIEDHN COc1ccc([C@H](NCC(C)(C)CCC#N)c2ccccn2)cc1 ZINC000593711732 1050435442 /nfs/dbraw/zinc/43/54/42/1050435442.db2.gz VHFWJZCNGSVHIC-IBGZPJMESA-N 0 3 323.440 4.099 20 30 DIEDHN CCc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000593687625 1050438886 /nfs/dbraw/zinc/43/88/86/1050438886.db2.gz LKMFACHHYLTRLG-UHFFFAOYSA-N 0 3 308.425 4.221 20 30 DIEDHN N#CC1(CN[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171139042 1050464723 /nfs/dbraw/zinc/46/47/23/1050464723.db2.gz IJYSSUGEHLWKLJ-ZDUSSCGKSA-N 0 3 309.240 4.134 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2cccnc21 ZINC000046529131 1050492466 /nfs/dbraw/zinc/49/24/66/1050492466.db2.gz ZIHKRQMOCCPSNI-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN CC(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)c(C(C)C)c1 ZINC000594428449 1050510618 /nfs/dbraw/zinc/51/06/18/1050510618.db2.gz MDFDYGUWZWEHRF-QGZVFWFLSA-N 0 3 315.461 4.283 20 30 DIEDHN Cc1cc2c(c(C)c1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CC2 ZINC000594497631 1050519203 /nfs/dbraw/zinc/51/92/03/1050519203.db2.gz JDHJZLYIXAURGE-IBGZPJMESA-N 0 3 302.421 4.441 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)COC2 ZINC000594513803 1050524963 /nfs/dbraw/zinc/52/49/63/1050524963.db2.gz HQUNMRJUMPPLTP-HNNXBMFYSA-N 0 3 318.420 4.318 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCCc4c(O)cccc43)CCC2)cc1 ZINC000594519187 1050529068 /nfs/dbraw/zinc/52/90/68/1050529068.db2.gz VEZHHKZYRGTMQI-LJQANCHMSA-N 0 3 318.420 4.310 20 30 DIEDHN COc1ccc([C@@H](NCCC(C)(C)C#N)c2ccccc2)cc1 ZINC000594715402 1050550010 /nfs/dbraw/zinc/55/00/10/1050550010.db2.gz GYBRIXLWZFWINX-IBGZPJMESA-N 0 3 308.425 4.314 20 30 DIEDHN CC1(C#N)CCN([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171171244 1050558627 /nfs/dbraw/zinc/55/86/27/1050558627.db2.gz DEVVIIXVUDKDSU-CQSZACIVSA-N 0 3 323.267 4.476 20 30 DIEDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594916417 1050561882 /nfs/dbraw/zinc/56/18/82/1050561882.db2.gz FBBGZKOJSMOJBC-INIZCTEOSA-N 0 3 320.436 4.410 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594921827 1050562566 /nfs/dbraw/zinc/56/25/66/1050562566.db2.gz UNCJZVQXTJJEMX-INIZCTEOSA-N 0 3 320.436 4.491 20 30 DIEDHN Cc1cccnc1[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594926634 1050566623 /nfs/dbraw/zinc/56/66/23/1050566623.db2.gz RSHXGTPCNLKCCE-LJQANCHMSA-N 0 3 319.452 4.432 20 30 DIEDHN N#CC1(c2ccc(CNCc3ccc4occc4c3)cc2)CC1 ZINC000594969723 1050573408 /nfs/dbraw/zinc/57/34/08/1050573408.db2.gz ZIDBFVVWDHUJDN-UHFFFAOYSA-N 0 3 302.377 4.278 20 30 DIEDHN Cc1cc(C)cc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000594972912 1050573957 /nfs/dbraw/zinc/57/39/57/1050573957.db2.gz FWMWGVJNOCDXJX-UHFFFAOYSA-N 0 3 308.425 4.276 20 30 DIEDHN Cc1nc2ccc(Nc3ccc(N4CCCC4)c(C#N)c3)cc2[nH]1 ZINC001213075186 1050577041 /nfs/dbraw/zinc/57/70/41/1050577041.db2.gz HZQKGFDHRRTMQW-UHFFFAOYSA-N 0 3 317.396 4.087 20 30 DIEDHN N=C(Nc1ccccc1CS)c1ccc2cc(O)ccc2c1 ZINC001171182397 1050582586 /nfs/dbraw/zinc/58/25/86/1050582586.db2.gz MKXFDVMGWIMKQZ-UHFFFAOYSA-N 0 3 308.406 4.012 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1c(F)cc(Cl)cc1F ZINC001171184375 1050584002 /nfs/dbraw/zinc/58/40/02/1050584002.db2.gz MCTQWXJDKOMTND-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN N=C(Nc1cccc2c1CCCC2)c1ccc2cc(O)ccc2c1 ZINC001171184929 1050584141 /nfs/dbraw/zinc/58/41/41/1050584141.db2.gz QJCYGGDCENJSIP-UHFFFAOYSA-N 0 3 316.404 4.461 20 30 DIEDHN N#CCCc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171184243 1050584527 /nfs/dbraw/zinc/58/45/27/1050584527.db2.gz GJNCKUGMUCQOGM-UHFFFAOYSA-N 0 3 315.376 4.039 20 30 DIEDHN CC[C@H]1CCCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000739926371 1050596283 /nfs/dbraw/zinc/59/62/83/1050596283.db2.gz FGCNEMXOQORELE-INIZCTEOSA-N 0 3 306.837 4.397 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000746681381 1050599809 /nfs/dbraw/zinc/59/98/09/1050599809.db2.gz YLOPPDIJCBNVOI-YWZLYKJASA-N 0 3 324.399 4.311 20 30 DIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049039 1050601597 /nfs/dbraw/zinc/60/15/97/1050601597.db2.gz TZYVUUJJASAFCH-BZNIZROVSA-N 0 3 313.351 4.229 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](C)c1c(F)cccc1F ZINC001171192406 1050602317 /nfs/dbraw/zinc/60/23/17/1050602317.db2.gz MYDWESHVZVJOLD-OLZOCXBDSA-N 0 3 300.352 4.118 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2ccc(O)cc21 ZINC000595087099 1050610319 /nfs/dbraw/zinc/61/03/19/1050610319.db2.gz AULUMPZCYVJDLL-SFTDATJTSA-N 0 3 318.420 4.308 20 30 DIEDHN COc1cccc(C2(N[C@H](C)c3ccc(C#N)cc3)CCC2)c1 ZINC000595093178 1050612039 /nfs/dbraw/zinc/61/20/39/1050612039.db2.gz GGIZCQQHJWJZBW-OAHLLOKOSA-N 0 3 306.409 4.297 20 30 DIEDHN C#Cc1ccc(CN2CCC(Oc3cccc(C)c3)CC2)cc1 ZINC001144576630 1050621638 /nfs/dbraw/zinc/62/16/38/1050621638.db2.gz QZISRHLNNKISER-UHFFFAOYSA-N 0 3 305.421 4.020 20 30 DIEDHN Cc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1Cl ZINC000788081388 1050650433 /nfs/dbraw/zinc/65/04/33/1050650433.db2.gz MMIKHOWPSSMNFJ-ZDUSSCGKSA-N 0 3 324.767 4.209 20 30 DIEDHN CC(C)(C#N)c1ccccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595640640 1050658641 /nfs/dbraw/zinc/65/86/41/1050658641.db2.gz SMQKFIQAFJWJJL-UHFFFAOYSA-N 0 3 317.436 4.384 20 30 DIEDHN COc1ccc(CNCc2ccc(CC(C)C)cc2)cc1C#N ZINC000746733930 1050658715 /nfs/dbraw/zinc/65/87/15/1050658715.db2.gz MJXDOLHASGRJKN-UHFFFAOYSA-N 0 3 308.425 4.055 20 30 DIEDHN N#Cc1ccc(CCN2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000595677197 1050661076 /nfs/dbraw/zinc/66/10/76/1050661076.db2.gz SUSVWCISIVRNRM-LJQANCHMSA-N 0 3 306.409 4.311 20 30 DIEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)CC1=CCCOC1 ZINC000595750582 1050668561 /nfs/dbraw/zinc/66/85/61/1050668561.db2.gz CTYDLKMUFPFHKP-UHFFFAOYSA-N 0 3 318.420 4.004 20 30 DIEDHN COc1cccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c1O ZINC000846156978 1050674379 /nfs/dbraw/zinc/67/43/79/1050674379.db2.gz QODOQJVQOBEJRS-YOEHRIQHSA-N 0 3 310.397 4.096 20 30 DIEDHN COc1cccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c1O ZINC000846156975 1050675247 /nfs/dbraw/zinc/67/52/47/1050675247.db2.gz QODOQJVQOBEJRS-PBHICJAKSA-N 0 3 310.397 4.096 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2c(Cl)cccc2C1 ZINC001171224040 1050713147 /nfs/dbraw/zinc/71/31/47/1050713147.db2.gz PAROHSZLFSCNQI-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2cccc(Cl)c2C1 ZINC001171228063 1050722375 /nfs/dbraw/zinc/72/23/75/1050722375.db2.gz DPFNFWMMCGBUPI-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H]1CCCCN1c1cccc(NCc2ccc(C#N)c(F)c2)n1 ZINC001170091148 1050761188 /nfs/dbraw/zinc/76/11/88/1050761188.db2.gz XOYSUXRLKWHBRG-AWEZNQCLSA-N 0 3 324.403 4.083 20 30 DIEDHN N#CC1(c2ccc(CN3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000596977755 1050792679 /nfs/dbraw/zinc/79/26/79/1050792679.db2.gz ONYQWSDMJTYOPE-OAHLLOKOSA-N 0 3 308.347 4.016 20 30 DIEDHN N#CC1(c2ccc(CN3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000596982723 1050793650 /nfs/dbraw/zinc/79/36/50/1050793650.db2.gz HCIONKHJMJAMSB-UHFFFAOYSA-N 0 3 308.347 4.016 20 30 DIEDHN CCN(Cc1cc(COC)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000596984945 1050794748 /nfs/dbraw/zinc/79/47/48/1050794748.db2.gz YGKHRJUPZFCPSC-CQSZACIVSA-N 0 3 314.454 4.349 20 30 DIEDHN N#CC1(c2ccc(CN(CCC(F)(F)F)CC3CC3)cc2)CC1 ZINC000597027044 1050796958 /nfs/dbraw/zinc/79/69/58/1050796958.db2.gz LJDFYMVDILYVNI-UHFFFAOYSA-N 0 3 322.374 4.406 20 30 DIEDHN Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)cc(C)c1F ZINC000772959394 1050806124 /nfs/dbraw/zinc/80/61/24/1050806124.db2.gz LKYRMUAOXYUPHA-OAHLLOKOSA-N 0 3 312.388 4.196 20 30 DIEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc(Br)cc1 ZINC000597086351 1050807244 /nfs/dbraw/zinc/80/72/44/1050807244.db2.gz LEZVABUHKZLIDB-GJZGRUSLSA-N 0 3 309.251 4.052 20 30 DIEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085186 1050807297 /nfs/dbraw/zinc/80/72/97/1050807297.db2.gz SIPKLNLJGPTFLY-CZUORRHYSA-N 0 3 322.374 4.405 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000772960263 1050808961 /nfs/dbraw/zinc/80/89/61/1050808961.db2.gz OUBIRWHTKKGTAN-VBKZILBWSA-N 0 3 309.384 4.176 20 30 DIEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137368 1050811923 /nfs/dbraw/zinc/81/19/23/1050811923.db2.gz GFHJQCRIIODATA-XJKSGUPXSA-N 0 3 322.374 4.405 20 30 DIEDHN CCN(Cc1ccc(OC)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477636 1050818332 /nfs/dbraw/zinc/81/83/32/1050818332.db2.gz VMNUZMBKDCQZMB-CQSZACIVSA-N 0 3 312.388 4.289 20 30 DIEDHN COc1ccc(CNCc2csc3ccccc23)cc1C#N ZINC000742367488 1050822153 /nfs/dbraw/zinc/82/21/53/1050822153.db2.gz WXEKYDXQGPFVFO-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN CCCCCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000742397007 1050830773 /nfs/dbraw/zinc/83/07/73/1050830773.db2.gz KEYNOYIGOZYEHT-GOSISDBHSA-N 0 3 304.478 4.074 20 30 DIEDHN COc1ccc(CNC(C)(C)c2ccc(Cl)cc2)cc1C#N ZINC000742369828 1050833324 /nfs/dbraw/zinc/83/33/24/1050833324.db2.gz WHZPKMUWCUSSON-UHFFFAOYSA-N 0 3 314.816 4.245 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2coc3ccccc23)cc1 ZINC000772985755 1050904977 /nfs/dbraw/zinc/90/49/77/1050904977.db2.gz YDTKPRHACTVXNZ-HNNXBMFYSA-N 0 3 305.377 4.296 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000772985245 1050906044 /nfs/dbraw/zinc/90/60/44/1050906044.db2.gz UZFBCAROPDLQPC-FXAWDEMLSA-N 0 3 324.399 4.284 20 30 DIEDHN COc1ccc(Cl)c2c1C[C@@H](NC1(CC#N)CCCC1)CC2 ZINC001171316338 1050906134 /nfs/dbraw/zinc/90/61/34/1050906134.db2.gz MHJRLMOTHGQNAW-ZDUSSCGKSA-N 0 3 318.848 4.022 20 30 DIEDHN COc1ccc(Cl)c2c1C[C@H](NC1(CC#N)CCCC1)CC2 ZINC001171316336 1050906340 /nfs/dbraw/zinc/90/63/40/1050906340.db2.gz MHJRLMOTHGQNAW-CYBMUJFWSA-N 0 3 318.848 4.022 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000772985247 1050906840 /nfs/dbraw/zinc/90/68/40/1050906840.db2.gz UZFBCAROPDLQPC-XLIONFOSSA-N 0 3 324.399 4.284 20 30 DIEDHN C=CC[C@H](CC)NCc1cnn(Cc2ccccc2)c1Cl ZINC000790600413 1050976307 /nfs/dbraw/zinc/97/63/07/1050976307.db2.gz BHOXNIHDJCWNKI-INIZCTEOSA-N 0 3 303.837 4.029 20 30 DIEDHN CC(C)(CCC#N)CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000348205539 1051004951 /nfs/dbraw/zinc/00/49/51/1051004951.db2.gz JRGOLKKHQNVSJS-GOSISDBHSA-N 0 3 311.404 4.230 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccncc1 ZINC000790964839 1051011638 /nfs/dbraw/zinc/01/16/38/1051011638.db2.gz NVQCBFZAEMGNBW-HXUWFJFHSA-N 0 3 308.425 4.277 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000743477686 1051032929 /nfs/dbraw/zinc/03/29/29/1051032929.db2.gz UJNUJNZZQLTUHP-KSSFIOAISA-N 0 3 312.388 4.357 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000743477399 1051033479 /nfs/dbraw/zinc/03/34/79/1051033479.db2.gz ROIOSTZPUJYZEG-DNVCBOLYSA-N 0 3 319.408 4.090 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC000791568278 1051058997 /nfs/dbraw/zinc/05/89/97/1051058997.db2.gz NNWTVMFVCNLODB-UHFFFAOYSA-N 0 3 309.409 4.190 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106090 1051063292 /nfs/dbraw/zinc/06/32/92/1051063292.db2.gz JZYVZCFWYABEKX-LEWJYISDSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117764 1051067963 /nfs/dbraw/zinc/06/79/63/1051067963.db2.gz WHEBOHYHMRNZCC-RTBURBONSA-N 0 3 308.381 4.400 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1ccco1 ZINC000744118211 1051115499 /nfs/dbraw/zinc/11/54/99/1051115499.db2.gz HSIYHWWLCKFWGS-ONGXEEELSA-N 0 3 314.341 4.008 20 30 DIEDHN N#CC(C(=O)C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101724 1051116194 /nfs/dbraw/zinc/11/61/94/1051116194.db2.gz PDTZOACHFCDNPU-KXPUMZMLSA-N 0 3 304.374 4.186 20 30 DIEDHN N#CC(C(=O)CCc1ccsc1)c1nccc2ccccc21 ZINC000792107527 1051116717 /nfs/dbraw/zinc/11/67/17/1051116717.db2.gz WDAPEOQXDORQGC-INIZCTEOSA-N 0 3 306.390 4.105 20 30 DIEDHN N#CC(C(=O)C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095166 1051119488 /nfs/dbraw/zinc/11/94/88/1051119488.db2.gz UJWUEQXYVFWKHU-JFDDCEBESA-N 0 3 304.374 4.186 20 30 DIEDHN C#CC[C@H]1CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC001171489935 1051143856 /nfs/dbraw/zinc/14/38/56/1051143856.db2.gz KMZWKVCMLGDIOO-KBPBESRZSA-N 0 3 306.247 4.245 20 30 DIEDHN C[C@@H]1CCCCN1c1cccc(NCc2ccc(C#N)s2)n1 ZINC001170199682 1051153832 /nfs/dbraw/zinc/15/38/32/1051153832.db2.gz FVXFYGLUBJVPAK-CYBMUJFWSA-N 0 3 312.442 4.006 20 30 DIEDHN CCN(CC)Cc1cccc(NCc2ccc(C#N)s2)c1F ZINC001170201371 1051155886 /nfs/dbraw/zinc/15/58/86/1051155886.db2.gz CXVDUFJYIPAYQF-UHFFFAOYSA-N 0 3 317.433 4.213 20 30 DIEDHN Cc1cc(Nc2cccc(CN3CCCCC3)c2F)cnc1C#N ZINC001215675913 1051293359 /nfs/dbraw/zinc/29/33/59/1051293359.db2.gz VFMMWQSCOBNDOJ-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN Cc1ccnc(C#N)c1Nc1cccc(CN2CCCCC2)c1F ZINC001215677644 1051295565 /nfs/dbraw/zinc/29/55/65/1051295565.db2.gz PYTFYPLVMXESFN-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000793521146 1051306850 /nfs/dbraw/zinc/30/68/50/1051306850.db2.gz BURXDSPXCQEWCE-HZPDHXFCSA-N 0 3 304.482 4.180 20 30 DIEDHN N#Cc1ccc(Nc2ccc(CN3CCCCC3)c(F)c2)s1 ZINC001215711474 1051319458 /nfs/dbraw/zinc/31/94/58/1051319458.db2.gz URFTZWVPBKHFEX-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(F)c(F)cc1Cl ZINC001172303305 1051333776 /nfs/dbraw/zinc/33/37/76/1051333776.db2.gz WUQXTOXGRSCKTR-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)ccc(F)c1Cl ZINC001172291284 1051347503 /nfs/dbraw/zinc/34/75/03/1051347503.db2.gz XHAKYVIFKBJZOP-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN CCCCCCC[C@H](CC)N[C@@H](CC(=O)OC)c1ccccn1 ZINC001172351786 1051368167 /nfs/dbraw/zinc/36/81/67/1051368167.db2.gz VIPAELPREHJIBS-WMZOPIPTSA-N 0 3 320.477 4.415 20 30 DIEDHN CCCCCCC[C@@H](CC)NCc1ncccc1C(=O)OC ZINC001172351848 1051368273 /nfs/dbraw/zinc/36/82/73/1051368273.db2.gz WSHPPTVTBMVMHU-OAHLLOKOSA-N 0 3 306.450 4.097 20 30 DIEDHN CCCCCCCC[C@@H](CC)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172504551 1051422300 /nfs/dbraw/zinc/42/23/00/1051422300.db2.gz GFOJGIJPYHNVSM-IKGGRYGDSA-N 0 3 305.453 4.260 20 30 DIEDHN CCCCCCCC[C@H](CC)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172505664 1051424336 /nfs/dbraw/zinc/42/43/36/1051424336.db2.gz RLCQTWVHSWSOGW-JYJNAYRXSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCCC[C@H](CC)n1cnc(CN)c1C(=O)OCC ZINC001172505314 1051425115 /nfs/dbraw/zinc/42/51/15/1051425115.db2.gz LJLAZRWXQOICAE-HNNXBMFYSA-N 0 3 323.481 4.220 20 30 DIEDHN N=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001172543377 1051455881 /nfs/dbraw/zinc/45/58/81/1051455881.db2.gz PNZPOWUAHVITER-ZBFHGGJFSA-N 0 3 313.832 4.167 20 30 DIEDHN CC(C)c1ccc(C[C@H]2CCN(Cc3ccc(C#N)o3)C2)cc1 ZINC001168969582 1051480976 /nfs/dbraw/zinc/48/09/76/1051480976.db2.gz WWRSTVKAQCMBKK-QGZVFWFLSA-N 0 3 308.425 4.339 20 30 DIEDHN CC(C)c1ccc(C[C@H]2CCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001168967800 1051481481 /nfs/dbraw/zinc/48/14/81/1051481481.db2.gz BFVWACWPFAYAOZ-LJQANCHMSA-N 0 3 319.452 4.141 20 30 DIEDHN CC(C)C[C@@H](Cc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001169060251 1051502745 /nfs/dbraw/zinc/50/27/45/1051502745.db2.gz XPWBJJVKTRMNHO-INIZCTEOSA-N 0 3 315.848 4.098 20 30 DIEDHN CCCCCCCC[C@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173310772 1051684706 /nfs/dbraw/zinc/68/47/06/1051684706.db2.gz YUVGCSSUINZVKG-IRXDYDNUSA-N 0 3 309.498 4.007 20 30 DIEDHN N#CC12CCC(Nc3cc(CN4CCCCC4)ccn3)(CC1)CC2 ZINC001169746804 1051686030 /nfs/dbraw/zinc/68/60/30/1051686030.db2.gz OZIMSULCUCCWHE-UHFFFAOYSA-N 0 3 324.472 4.096 20 30 DIEDHN CN(CC#Cc1ccc(Cl)cc1)Cc1cccc2[nH]ccc21 ZINC000494060366 1051686114 /nfs/dbraw/zinc/68/61/14/1051686114.db2.gz MLFLJROFDIJFOU-UHFFFAOYSA-N 0 3 308.812 4.305 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCC(C)(C)C ZINC000805845200 1051697610 /nfs/dbraw/zinc/69/76/10/1051697610.db2.gz JJXHQWJYJJKYPC-AWEZNQCLSA-N 0 3 311.429 4.356 20 30 DIEDHN C=CCOC1CCC(N2CCc3ccc(Cl)cc3C2)CC1 ZINC001173319329 1051712819 /nfs/dbraw/zinc/71/28/19/1051712819.db2.gz FSMRPRBQJSXWGK-UHFFFAOYSA-N 0 3 305.849 4.212 20 30 DIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1C1CCC(C)(C#N)CC1 ZINC001173588451 1051756003 /nfs/dbraw/zinc/75/60/03/1051756003.db2.gz IAKQMYDGBJNNFX-ASFAAARLSA-N 0 3 308.429 4.215 20 30 DIEDHN C[C@@H](CC#N)N[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173701539 1051784391 /nfs/dbraw/zinc/78/43/91/1051784391.db2.gz AZKAOVGJAHMFRF-JXFKEZNVSA-N 0 3 320.436 4.015 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847325 1051786483 /nfs/dbraw/zinc/78/64/83/1051786483.db2.gz QDILZDHAFKSWID-MFKMUULPSA-N 0 3 314.763 4.113 20 30 DIEDHN CN(C)Cc1ccccc1Nc1sc2c(c1C#N)CCCC2 ZINC001173927606 1051899953 /nfs/dbraw/zinc/89/99/53/1051899953.db2.gz JPNRGKZCSXMVFD-UHFFFAOYSA-N 0 3 311.454 4.304 20 30 DIEDHN CN(C)Cc1ccccc1Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC001173931545 1051902143 /nfs/dbraw/zinc/90/21/43/1051902143.db2.gz HGZFQZABQMKKTA-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)c(Cl)c1F ZINC001173930530 1051903341 /nfs/dbraw/zinc/90/33/41/1051903341.db2.gz IGZWGZIIKBIBEN-UHFFFAOYSA-N 0 3 303.768 4.156 20 30 DIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000191372910 1051973757 /nfs/dbraw/zinc/97/37/57/1051973757.db2.gz BRBSMQIKFGNXMP-NSHDSACASA-N 0 3 306.818 4.003 20 30 DIEDHN C=CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000768872857 1051974159 /nfs/dbraw/zinc/97/41/59/1051974159.db2.gz KVZAZMYYSFMEMH-UHFFFAOYSA-N 0 3 317.816 4.242 20 30 DIEDHN C=CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000768872857 1051974169 /nfs/dbraw/zinc/97/41/69/1051974169.db2.gz KVZAZMYYSFMEMH-UHFFFAOYSA-N 0 3 317.816 4.242 20 30 DIEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562940 1051977874 /nfs/dbraw/zinc/97/78/74/1051977874.db2.gz HPRXISNMFSBOSZ-DZGCQCFKSA-N 0 3 315.417 4.141 20 30 DIEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000191959052 1051990953 /nfs/dbraw/zinc/99/09/53/1051990953.db2.gz KERGTWDWUVLPOZ-CQSZACIVSA-N 0 3 307.372 4.152 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106640 1051995580 /nfs/dbraw/zinc/99/55/80/1051995580.db2.gz VTVMJKDYVRULHW-MGPUTAFESA-N 0 3 322.408 4.020 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3cc4ccccc4[nH]3)CC2)s1 ZINC000769121444 1051999658 /nfs/dbraw/zinc/99/96/58/1051999658.db2.gz MHFVAVJKHQHRCF-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000192161026 1052000537 /nfs/dbraw/zinc/00/05/37/1052000537.db2.gz YZTHFUMGZMVNBA-GOSISDBHSA-N 0 3 312.416 4.451 20 30 DIEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000192160466 1052001861 /nfs/dbraw/zinc/00/18/61/1052001861.db2.gz ZQULBFNFIKWGML-GOSISDBHSA-N 0 3 312.416 4.451 20 30 DIEDHN C[C@H](Cc1cccc(F)c1)N1CCC(C#N)(c2ccccc2)CC1 ZINC001168474068 1052172186 /nfs/dbraw/zinc/17/21/86/1052172186.db2.gz KLDCDISGKHYOLB-QGZVFWFLSA-N 0 3 322.427 4.314 20 30 DIEDHN CCCCCCCC(=O)c1ccc(O[C@H]2CCNC[C@H]2F)cc1 ZINC001218066524 1052192408 /nfs/dbraw/zinc/19/24/08/1052192408.db2.gz LTFUDMVEXUTMGI-MJGOQNOKSA-N 0 3 321.436 4.309 20 30 DIEDHN N#Cc1cc(Cl)c(O[C@@H]2CNCc3ccccc32)c(Cl)c1 ZINC001218485296 1052245381 /nfs/dbraw/zinc/24/53/81/1052245381.db2.gz GYRLHWAYNULUKY-OAHLLOKOSA-N 0 3 319.191 4.088 20 30 DIEDHN CCCCCCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000914845673 1052269338 /nfs/dbraw/zinc/26/93/38/1052269338.db2.gz ILLZFJLSMZCBLE-UHFFFAOYSA-N 0 3 306.450 4.056 20 30 DIEDHN CCN(Cc1cccc(C#N)c1F)[C@H](C)Cc1ccsc1 ZINC000495262268 1052279022 /nfs/dbraw/zinc/27/90/22/1052279022.db2.gz OPOPSORLZPMXTL-CYBMUJFWSA-N 0 3 302.418 4.212 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(F)c2ccccc12 ZINC001219258686 1052280272 /nfs/dbraw/zinc/28/02/72/1052280272.db2.gz TWPCRPATLSGHIX-KRWDZBQOSA-N 0 3 314.404 4.381 20 30 DIEDHN Cc1cc(CN2CCC(Oc3ccc(F)cc3)CC2)ccc1C#N ZINC000487895496 1052313574 /nfs/dbraw/zinc/31/35/74/1052313574.db2.gz IKGZIHNNMAPYBA-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC001220437550 1052333830 /nfs/dbraw/zinc/33/38/30/1052333830.db2.gz FPYOZMFNQGHIHH-ROUUACIJSA-N 0 3 320.452 4.103 20 30 DIEDHN CCCCCCC[C@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000315889942 1052355408 /nfs/dbraw/zinc/35/54/08/1052355408.db2.gz PMRFMMPWNGECOY-HOTGVXAUSA-N 0 3 306.498 4.404 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193491795 1052399851 /nfs/dbraw/zinc/39/98/51/1052399851.db2.gz IMFRCAAYRPDYEK-WBMJQRKESA-N 0 3 324.380 4.063 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000497134266 1052655233 /nfs/dbraw/zinc/65/52/33/1052655233.db2.gz VQMZMNODPNAXDC-UHFFFAOYSA-N 0 3 320.177 4.058 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916898922 1052664967 /nfs/dbraw/zinc/66/49/67/1052664967.db2.gz GNHDOTOVQRDNAG-INIZCTEOSA-N 0 3 314.429 4.039 20 30 DIEDHN CCN1CCC[C@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224090545 1052666737 /nfs/dbraw/zinc/66/67/37/1052666737.db2.gz JEJTYFNHYRUICY-GEXZYOHASA-N 0 3 308.425 4.266 20 30 DIEDHN C=C(CO[C@@H]1CCCN([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738379 1052721040 /nfs/dbraw/zinc/72/10/40/1052721040.db2.gz DSKSLEQSCPWPKJ-UYAOXDASSA-N 0 3 322.452 4.337 20 30 DIEDHN C=C(CO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738375 1052721458 /nfs/dbraw/zinc/72/14/58/1052721458.db2.gz DSKSLEQSCPWPKJ-AZUAARDMSA-N 0 3 322.452 4.337 20 30 DIEDHN CCCCS[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000918483142 1052800488 /nfs/dbraw/zinc/80/04/88/1052800488.db2.gz FTXQWXJTNQWILW-VXGBXAGGSA-N 0 3 318.467 4.394 20 30 DIEDHN C#CCCN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000920415817 1052938707 /nfs/dbraw/zinc/93/87/07/1052938707.db2.gz OGLIHWMEGQNJPX-UHFFFAOYSA-N 0 3 321.449 4.056 20 30 DIEDHN C[C@@H]([C@H](Oc1c(F)cccc1C#N)c1ccccc1)N1CCCC1 ZINC001227290303 1052979684 /nfs/dbraw/zinc/97/96/84/1052979684.db2.gz WFTHZUMZZKMPAQ-KXBFYZLASA-N 0 3 324.399 4.302 20 30 DIEDHN C=C[C@H](C)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237593271 1053013855 /nfs/dbraw/zinc/01/38/55/1053013855.db2.gz WGNHNTZPWGJDMZ-ZDUSSCGKSA-N 0 3 314.816 4.256 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649514 1053024967 /nfs/dbraw/zinc/02/49/67/1053024967.db2.gz SXOOMAJPOFBGLL-SCLBCKFNSA-N 0 3 324.449 4.455 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cnc2ccsc2c1 ZINC000180551694 1053070701 /nfs/dbraw/zinc/07/07/01/1053070701.db2.gz NWWBTKYMIRCGNU-ZDUSSCGKSA-N 0 3 323.421 4.049 20 30 DIEDHN CC(=O)c1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001351712068 1053213634 /nfs/dbraw/zinc/21/36/34/1053213634.db2.gz STQDLGDIAKOVGM-UHFFFAOYSA-N 0 3 318.420 4.140 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001320087276 1053302716 /nfs/dbraw/zinc/30/27/16/1053302716.db2.gz XDKKRPIZAVHSFT-CYBMUJFWSA-N 0 3 317.376 4.075 20 30 DIEDHN C=C[C@@H](COC)N[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306061 1053323538 /nfs/dbraw/zinc/32/35/38/1053323538.db2.gz LRUJHOGOFCLBKG-SWLSCSKDSA-N 0 3 313.413 4.169 20 30 DIEDHN Cc1cc(CN2CCS[C@H](c3ccccc3)C2)ccc1C#N ZINC000618594401 1053329088 /nfs/dbraw/zinc/32/90/88/1053329088.db2.gz SILMPHFTQZLPOU-IBGZPJMESA-N 0 3 308.450 4.157 20 30 DIEDHN CCN(CCC(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000182076513 1053340596 /nfs/dbraw/zinc/34/05/96/1053340596.db2.gz UCEWOHHGONOZBS-MRXNPFEDSA-N 0 3 306.409 4.214 20 30 DIEDHN C[C@H](NCc1cccc(C(F)F)c1)c1ccc(C#N)c(F)c1 ZINC001320688409 1053356748 /nfs/dbraw/zinc/35/67/48/1053356748.db2.gz GHDNAVRWXHMGFV-NSHDSACASA-N 0 3 304.315 4.486 20 30 DIEDHN CCCOc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741308 1053357070 /nfs/dbraw/zinc/35/70/70/1053357070.db2.gz DTQROMPPPRUXPI-FQEVSTJZSA-N 0 3 306.409 4.124 20 30 DIEDHN CC(C)Oc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742691 1053357691 /nfs/dbraw/zinc/35/76/91/1053357691.db2.gz PEIGPCLSPMBMHQ-HXUWFJFHSA-N 0 3 306.409 4.123 20 30 DIEDHN CC(C)Oc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741176 1053358473 /nfs/dbraw/zinc/35/84/73/1053358473.db2.gz CYMWKTLCQGRTSD-HXUWFJFHSA-N 0 3 306.409 4.123 20 30 DIEDHN Cc1nc2ccc(CN[C@@H]3CCc4cc(C#N)ccc43)cc2s1 ZINC000618741630 1053358834 /nfs/dbraw/zinc/35/88/34/1053358834.db2.gz HYAZIWSSWNMTBK-QGZVFWFLSA-N 0 3 319.433 4.254 20 30 DIEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc2cccnc12 ZINC000618743197 1053359773 /nfs/dbraw/zinc/35/97/73/1053359773.db2.gz ZVEYRCSLLQJENT-HXUWFJFHSA-N 0 3 313.404 4.192 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2cc(Cl)ccc21 ZINC000618802388 1053365868 /nfs/dbraw/zinc/36/58/68/1053365868.db2.gz JHQXHYFDDBOZDD-RTBURBONSA-N 0 3 308.812 4.476 20 30 DIEDHN C=CCOc1ccccc1OC1CCN(Cc2ccccc2)CC1 ZINC001229613337 1053365899 /nfs/dbraw/zinc/36/58/99/1053365899.db2.gz ABLPRBXBARLTBT-UHFFFAOYSA-N 0 3 323.436 4.295 20 30 DIEDHN CCc1nc2c(s1)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801460 1053366299 /nfs/dbraw/zinc/36/62/99/1053366299.db2.gz AZQCBSPJWXUPMP-CVEARBPZSA-N 0 3 323.465 4.232 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCSc2ccccc21 ZINC000618801664 1053366614 /nfs/dbraw/zinc/36/66/14/1053366614.db2.gz BKFIXYHZGYPHQP-QZTJIDSGSA-N 0 3 306.434 4.372 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2c1cccc2Cl ZINC000618807224 1053373535 /nfs/dbraw/zinc/37/35/35/1053373535.db2.gz WHAXZHIUVHSNIU-OALUTQOASA-N 0 3 308.812 4.476 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2c1cccc2Cl ZINC000618807223 1053373644 /nfs/dbraw/zinc/37/36/44/1053373644.db2.gz WHAXZHIUVHSNIU-MOPGFXCFSA-N 0 3 308.812 4.476 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295510 1053407113 /nfs/dbraw/zinc/40/71/13/1053407113.db2.gz ADFKWFKYUJUUDJ-LOWVWBTDSA-N 0 3 312.335 4.160 20 30 DIEDHN CC[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229938370 1053434147 /nfs/dbraw/zinc/43/41/47/1053434147.db2.gz VHXVVJZFLCDXAF-JPOGYNCRSA-N 0 3 324.424 4.006 20 30 DIEDHN CC[N@H+]1CCC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229938370 1053434163 /nfs/dbraw/zinc/43/41/63/1053434163.db2.gz VHXVVJZFLCDXAF-JPOGYNCRSA-N 0 3 324.424 4.006 20 30 DIEDHN Cc1ccncc1[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508472 1053497333 /nfs/dbraw/zinc/49/73/33/1053497333.db2.gz YXYICQNRVLQGKJ-YWZLYKJASA-N 0 3 305.425 4.380 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000619754660 1053546373 /nfs/dbraw/zinc/54/63/73/1053546373.db2.gz GXFRFFCBOPAJGL-GOSISDBHSA-N 0 3 314.816 4.461 20 30 DIEDHN Cc1cc(CNCc2ccc(C#N)c(Cl)c2)cc2cccnc12 ZINC000619748559 1053554929 /nfs/dbraw/zinc/55/49/29/1053554929.db2.gz IOJBHJQLAPYGCI-UHFFFAOYSA-N 0 3 321.811 4.358 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000619784518 1053559146 /nfs/dbraw/zinc/55/91/46/1053559146.db2.gz OGYHRFYZCXEIIB-MRXNPFEDSA-N 0 3 322.374 4.421 20 30 DIEDHN COc1cc(C#N)ccc1CNC1(c2ccccc2)CCCC1 ZINC000183543287 1053672741 /nfs/dbraw/zinc/67/27/41/1053672741.db2.gz WMOUYYGUZNVEAY-UHFFFAOYSA-N 0 3 306.409 4.126 20 30 DIEDHN CCC[C@@H](NCc1cccc(OCC#N)c1)c1ccsc1 ZINC001326117597 1053756011 /nfs/dbraw/zinc/75/60/11/1053756011.db2.gz REEPHYIVAMUBSM-QGZVFWFLSA-N 0 3 300.427 4.281 20 30 DIEDHN O=C1C=C2CN(Cc3cccc(-c4ccccc4)c3)CCC2S1 ZINC001231507618 1053774164 /nfs/dbraw/zinc/77/41/64/1053774164.db2.gz CADIJECTUAASMK-IBGZPJMESA-N 0 3 321.445 4.128 20 30 DIEDHN C=CCCN(Cc1cc(Br)c[nH]1)Cc1ccccc1 ZINC001231576874 1053786134 /nfs/dbraw/zinc/78/61/34/1053786134.db2.gz OUMHXDUTVBKUTA-UHFFFAOYSA-N 0 3 319.246 4.356 20 30 DIEDHN C=CCOc1cccc(CN2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001231623674 1053806502 /nfs/dbraw/zinc/80/65/02/1053806502.db2.gz POCMDYIORBDONL-OAQYLSRUSA-N 0 3 323.436 4.043 20 30 DIEDHN CCN(Cc1cccc(OC)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116911 1053966054 /nfs/dbraw/zinc/96/60/54/1053966054.db2.gz ROJJPQIHCZNORL-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN C=CCN(Cc1ccc(OCc2ccccc2)nc1)C(C)(C)C ZINC001232359390 1054030033 /nfs/dbraw/zinc/03/00/33/1054030033.db2.gz GNOLOEBRMYMTQR-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN COc1cccc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)c1 ZINC001232844823 1054130963 /nfs/dbraw/zinc/13/09/63/1054130963.db2.gz FJCPBQBVHACSCC-HNNXBMFYSA-N 0 3 312.438 4.008 20 30 DIEDHN C=CCCCCCN[C@@H](C)c1nc(Br)cs1 ZINC000848560347 1054149064 /nfs/dbraw/zinc/14/90/64/1054149064.db2.gz LRIHLJKIYXDXPW-JTQLQIEISA-N 0 3 303.269 4.303 20 30 DIEDHN CC[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1[O-] ZINC000848567235 1054152594 /nfs/dbraw/zinc/15/25/94/1054152594.db2.gz RMDIYPBBXVPCQD-GOSISDBHSA-N 0 3 306.409 4.384 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](Sc2ccncc2)C1 ZINC001233083054 1054183448 /nfs/dbraw/zinc/18/34/48/1054183448.db2.gz SESALXRNRAWDNQ-IBGZPJMESA-N 0 3 323.465 4.018 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](OCc2ccccc2)C1 ZINC001233082775 1054183580 /nfs/dbraw/zinc/18/35/80/1054183580.db2.gz ZGPNPPGJYHEHIU-NRFANRHFSA-N 0 3 320.436 4.048 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111816 1054297115 /nfs/dbraw/zinc/29/71/15/1054297115.db2.gz GUSAYGWOVYZRDU-QAPCUYQASA-N 0 3 311.425 4.214 20 30 DIEDHN C=CCc1ccc(O[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)cc1 ZINC001233597425 1054306300 /nfs/dbraw/zinc/30/63/00/1054306300.db2.gz MAKHZJBWYVYWCC-FXAWDEMLSA-N 0 3 322.452 4.415 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2c(C)noc2C)c([O-])c1 ZINC000072613687 1054434984 /nfs/dbraw/zinc/43/49/84/1054434984.db2.gz JTGWKEJYLYOKBD-ZGXHQARYSA-N 0 3 315.417 4.023 20 30 DIEDHN N#CC(C(=O)C[C@@H]1CCCC1(F)F)c1ccc2ccccc2n1 ZINC001343289751 1054441763 /nfs/dbraw/zinc/44/17/63/1054441763.db2.gz VAGFXNGCWSEBMG-KBPBESRZSA-N 0 3 314.335 4.237 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccc2ccccc2n1 ZINC001343405464 1054444647 /nfs/dbraw/zinc/44/46/47/1054444647.db2.gz RIWJMNHPVAUYDT-NXOAAHMSSA-N 0 3 304.393 4.237 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001443333929 1054447701 /nfs/dbraw/zinc/44/77/01/1054447701.db2.gz IFOPTRSISCVQJD-PKOBYXMFSA-N 0 3 322.537 4.316 20 30 DIEDHN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)c1cccc(F)n1 ZINC001344073162 1054463012 /nfs/dbraw/zinc/46/30/12/1054463012.db2.gz UTYNAOLIQZZDPI-KRWDZBQOSA-N 0 3 322.383 4.297 20 30 DIEDHN C=C(C)C[C@H](Oc1c(F)cc(CN(C)C)cc1OC)C(=C)C ZINC001234242055 1054470178 /nfs/dbraw/zinc/47/01/78/1054470178.db2.gz XTCWYPMCWNVWHG-INIZCTEOSA-N 0 3 307.409 4.186 20 30 DIEDHN CC[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346765465 1054548666 /nfs/dbraw/zinc/54/86/66/1054548666.db2.gz WYDURGUYKAPYIW-WFASDCNBSA-N 0 3 314.335 4.120 20 30 DIEDHN CCOc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000073012000 1054612439 /nfs/dbraw/zinc/61/24/39/1054612439.db2.gz BISXEJJHYXUKBG-SFHVURJKSA-N 0 3 324.424 4.056 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)s2)c1 ZINC000073012426 1054615472 /nfs/dbraw/zinc/61/54/72/1054615472.db2.gz SDXVEKBBMBYISA-HNNXBMFYSA-N 0 3 300.427 4.027 20 30 DIEDHN CCc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000073012415 1054615490 /nfs/dbraw/zinc/61/54/90/1054615490.db2.gz CGSWOQFVBFGKNB-IBGZPJMESA-N 0 3 308.425 4.220 20 30 DIEDHN COc1ccc(C2=CCN(Cc3ccccc3CC#N)CC2)cc1 ZINC001235528999 1054737874 /nfs/dbraw/zinc/73/78/74/1054737874.db2.gz VOPFNSGOXJMYOV-UHFFFAOYSA-N 0 3 318.420 4.051 20 30 DIEDHN C=CCSCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000180456615 1054758547 /nfs/dbraw/zinc/75/85/47/1054758547.db2.gz VHEUEZUJDQRBII-CYBMUJFWSA-N 0 3 304.484 4.380 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001454892762 1054787268 /nfs/dbraw/zinc/78/72/68/1054787268.db2.gz RWRHWBKIHGZEKP-FNDLEWIFSA-N 0 3 322.537 4.482 20 30 DIEDHN C#CCN(Cc1ccc2c(c1)CCCN2)[C@@H]1CCc2ccccc21 ZINC001235834804 1054818841 /nfs/dbraw/zinc/81/88/41/1054818841.db2.gz PEHTZFDDNIDEFO-JOCHJYFZSA-N 0 3 316.448 4.167 20 30 DIEDHN Cc1nc2cc(CN(C)Cc3ccc(C#N)cc3)ccc2s1 ZINC001235865418 1054825592 /nfs/dbraw/zinc/82/55/92/1054825592.db2.gz MAGFKYPJJHQMNW-UHFFFAOYSA-N 0 3 307.422 4.108 20 30 DIEDHN C=CCC[C@@H](NC[C@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032452 1054862164 /nfs/dbraw/zinc/86/21/64/1054862164.db2.gz MUXIAJZHPCNVTJ-MJGOQNOKSA-N 0 3 315.413 4.273 20 30 DIEDHN C=CC(C)(C)CCN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000624037263 1054863774 /nfs/dbraw/zinc/86/37/74/1054863774.db2.gz SZTDCFCGHGFMPT-LJQANCHMSA-N 0 3 310.441 4.372 20 30 DIEDHN Cc1nc(-c2cccc(CN3CCCCC3)c2F)ccc1CC#N ZINC001236007063 1054892007 /nfs/dbraw/zinc/89/20/07/1054892007.db2.gz WVIXUIZKSJNBRB-UHFFFAOYSA-N 0 3 323.415 4.248 20 30 DIEDHN CC#Cc1cncc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236015178 1054897551 /nfs/dbraw/zinc/89/75/51/1054897551.db2.gz LMDNKUBYNWSGAP-UHFFFAOYSA-N 0 3 308.400 4.245 20 30 DIEDHN N#CCOc1ccccc1-c1cccc(CN2CCCCC2)c1F ZINC001236015855 1054899521 /nfs/dbraw/zinc/89/95/21/1054899521.db2.gz QAPCHOGTXXIOKP-UHFFFAOYSA-N 0 3 324.399 4.381 20 30 DIEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000182300702 1054977671 /nfs/dbraw/zinc/97/76/71/1054977671.db2.gz GSLCDBNGQRTVGC-CQSZACIVSA-N 0 3 322.408 4.067 20 30 DIEDHN Cc1ccc(C#N)nc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236231223 1055021728 /nfs/dbraw/zinc/02/17/28/1055021728.db2.gz HFGOAKCDKODOSK-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(C#N)cc2F)cc1F ZINC001236534484 1055166350 /nfs/dbraw/zinc/16/63/50/1055166350.db2.gz GNXXPWMQNWDJIL-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN COc1ccc2sc(CN3CCC(C)(C#N)CC3)cc2c1 ZINC001236667355 1055221850 /nfs/dbraw/zinc/22/18/50/1055221850.db2.gz LOGUJHCNHZZBJE-UHFFFAOYSA-N 0 3 300.427 4.036 20 30 DIEDHN Cc1cccc(-c2ccc(CN3CCC[C@H](C#N)CC3)cn2)c1C ZINC001236987515 1055325306 /nfs/dbraw/zinc/32/53/06/1055325306.db2.gz BYZUNSIQBZSINU-SFHVURJKSA-N 0 3 319.452 4.491 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237001881 1055331797 /nfs/dbraw/zinc/33/17/97/1055331797.db2.gz MYQUHSXMBCAUBE-NJZPDEBBSA-N 0 3 321.399 4.154 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cc(O)cc2ccccc21 ZINC001237067539 1055359041 /nfs/dbraw/zinc/35/90/41/1055359041.db2.gz FXDIEUZPZGMLDV-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN C=CCCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237059495 1055359561 /nfs/dbraw/zinc/35/95/61/1055359561.db2.gz OWRYNSLLQJJFSO-UHFFFAOYSA-N 0 3 317.351 4.121 20 30 DIEDHN C=CCCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237059495 1055359572 /nfs/dbraw/zinc/35/95/72/1055359572.db2.gz OWRYNSLLQJJFSO-UHFFFAOYSA-N 0 3 317.351 4.121 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(SC)cc2)cc1 ZINC000765308914 1055361434 /nfs/dbraw/zinc/36/14/34/1055361434.db2.gz XMLOQZMNGOVHTR-HNNXBMFYSA-N 0 3 311.450 4.271 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccnc2c(Cl)cccc12 ZINC001237147952 1055383905 /nfs/dbraw/zinc/38/39/05/1055383905.db2.gz KNIVKAXBPYXWBW-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000765426537 1055387377 /nfs/dbraw/zinc/38/73/77/1055387377.db2.gz NCYKMGYESNTFTM-VBKZILBWSA-N 0 3 309.384 4.176 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H]2CSCc3ccccc32)cc1 ZINC000765428772 1055389515 /nfs/dbraw/zinc/38/95/15/1055389515.db2.gz YRPZYNVWJNEDCH-YWZLYKJASA-N 0 3 323.461 4.337 20 30 DIEDHN C=CCCC[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000765480837 1055399349 /nfs/dbraw/zinc/39/93/49/1055399349.db2.gz KQXLWPZBXGAFGM-QGZVFWFLSA-N 0 3 315.457 4.187 20 30 DIEDHN N#CC1CCN(Cc2ccccc2CCc2ccccc2)CC1 ZINC001237296741 1055421424 /nfs/dbraw/zinc/42/14/24/1055421424.db2.gz DOGDUFLFOXTXMX-UHFFFAOYSA-N 0 3 304.437 4.207 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC001237417385 1055451187 /nfs/dbraw/zinc/45/11/87/1055451187.db2.gz RIYNRLPFKLBWNR-UHFFFAOYSA-N 0 3 308.425 4.223 20 30 DIEDHN C=C(C)COCCNCc1cc(-c2ccccc2)ccc1OC ZINC001620855235 1055483438 /nfs/dbraw/zinc/48/34/38/1055483438.db2.gz PCONZQBOKPIZCL-UHFFFAOYSA-N 0 3 311.425 4.045 20 30 DIEDHN N#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237645262 1055494365 /nfs/dbraw/zinc/49/43/65/1055494365.db2.gz IHCJLFRJRGVNEP-OAHLLOKOSA-N 0 3 324.399 4.324 20 30 DIEDHN N#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237645262 1055494372 /nfs/dbraw/zinc/49/43/72/1055494372.db2.gz IHCJLFRJRGVNEP-OAHLLOKOSA-N 0 3 324.399 4.324 20 30 DIEDHN C=CCN(CC=C)Cc1c[nH]c2cc(F)c(Br)cc12 ZINC001237935931 1055560212 /nfs/dbraw/zinc/56/02/12/1055560212.db2.gz YZLMAIOWFOXXGT-UHFFFAOYSA-N 0 3 323.209 4.244 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000671659853 1055587007 /nfs/dbraw/zinc/58/70/07/1055587007.db2.gz LIEMOICSZOWVEJ-LJQANCHMSA-N 0 3 315.363 4.307 20 30 DIEDHN C=CCN(Cc1cc(C2CC2)cnc1OC)C1CCCCC1 ZINC001238036938 1055589801 /nfs/dbraw/zinc/58/98/01/1055589801.db2.gz UDNGHTYAQUDSAD-UHFFFAOYSA-N 0 3 300.446 4.288 20 30 DIEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198095 1055618881 /nfs/dbraw/zinc/61/88/81/1055618881.db2.gz HBZKHXTYOCZDET-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN CC(C)(CC#N)CNCc1ccccc1OCc1ccccc1 ZINC001620965541 1055679669 /nfs/dbraw/zinc/67/96/69/1055679669.db2.gz JFFRNSODOXIAKD-UHFFFAOYSA-N 0 3 308.425 4.295 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238553897 1055684098 /nfs/dbraw/zinc/68/40/98/1055684098.db2.gz BMPRWLHCODEWGO-XGWQRUHWSA-N 0 3 321.399 4.154 20 30 DIEDHN CCc1cc(CN2CCC3(CCC(C)(C)O3)CC2)ccc1C#N ZINC001238768119 1055744866 /nfs/dbraw/zinc/74/48/66/1055744866.db2.gz FZSIJHGQXWZCCM-UHFFFAOYSA-N 0 3 312.457 4.044 20 30 DIEDHN CCCCCCC[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001597032955 1055779214 /nfs/dbraw/zinc/77/92/14/1055779214.db2.gz UMODBXBXVRCWCR-ROUUACIJSA-N 0 3 310.526 4.364 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001569790894 1055873481 /nfs/dbraw/zinc/87/34/81/1055873481.db2.gz SHMUEQDDTNLMFB-ZWKOTPCHSA-N 0 3 322.537 4.316 20 30 DIEDHN C=CCC1(NCc2nc(-c3ccccc3F)no2)CCCCC1 ZINC001620499701 1055957607 /nfs/dbraw/zinc/95/76/07/1055957607.db2.gz AWLHBRKMHCOJBQ-UHFFFAOYSA-N 0 3 315.392 4.244 20 30 DIEDHN C=CCC1(NCc2sncc2Br)CCCCC1 ZINC001620499539 1055957819 /nfs/dbraw/zinc/95/78/19/1055957819.db2.gz UTEUQWOAFSINNI-UHFFFAOYSA-N 0 3 315.280 4.274 20 30 DIEDHN C[C@@H]1C[C@H](C)CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001620591503 1055971977 /nfs/dbraw/zinc/97/19/77/1055971977.db2.gz HAQQQTXYFQXUJN-CHWSQXEVSA-N 0 3 310.363 4.445 20 30 DIEDHN C=CCOc1ccc(CN[C@H](CC=C)c2ccncc2)cc1OC ZINC001620799983 1055994378 /nfs/dbraw/zinc/99/43/78/1055994378.db2.gz UIGKKGNWXIFKSK-GOSISDBHSA-N 0 3 324.424 4.062 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](CC=C)c2ccncc2)cc1OC ZINC001620799984 1055994810 /nfs/dbraw/zinc/99/48/10/1055994810.db2.gz UIGKKGNWXIFKSK-SFHVURJKSA-N 0 3 324.424 4.062 20 30 DIEDHN C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1Cl ZINC001621052635 1056010391 /nfs/dbraw/zinc/01/03/91/1056010391.db2.gz FOEBDZNNGHYMQE-ZDUSSCGKSA-N 0 3 317.816 4.461 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000186319446 1056101659 /nfs/dbraw/zinc/10/16/59/1056101659.db2.gz WLWMTAVGOGVRKF-ZDUSSCGKSA-N 0 3 316.351 4.319 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000186319397 1056102255 /nfs/dbraw/zinc/10/22/55/1056102255.db2.gz RCVKNVUENDFDOJ-ZDUSSCGKSA-N 0 3 316.351 4.319 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000131561231 1056125790 /nfs/dbraw/zinc/12/57/90/1056125790.db2.gz HJCFZRMCUAGSAX-MLGOLLRUSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000131561231 1056125799 /nfs/dbraw/zinc/12/57/99/1056125799.db2.gz HJCFZRMCUAGSAX-MLGOLLRUSA-N 0 3 324.380 4.063 20 30 DIEDHN N#Cc1ccccc1-c1ccc(CNCc2cccc(O)c2)cc1 ZINC000091068205 1056172745 /nfs/dbraw/zinc/17/27/45/1056172745.db2.gz CDQRKMHCCRYVGA-UHFFFAOYSA-N 0 3 314.388 4.221 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(C#N)c(F)c2)c1F ZINC001240163045 1056359950 /nfs/dbraw/zinc/35/99/50/1056359950.db2.gz ZIMOSXDSDALXJA-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CSc1ccc(CNCc2ccc3c(c2)CCC3)cc1C#N ZINC001621067227 1056364319 /nfs/dbraw/zinc/36/43/19/1056364319.db2.gz KQNDVABGKTYYAL-UHFFFAOYSA-N 0 3 308.450 4.059 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000554740535 1056381651 /nfs/dbraw/zinc/38/16/51/1056381651.db2.gz BEMXKABMIAMZQX-LJQANCHMSA-N 0 3 312.388 4.289 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cc2c(s1)CCCC2 ZINC000404612788 1056406013 /nfs/dbraw/zinc/40/60/13/1056406013.db2.gz QNKOXERELRVJNJ-LBPRGKRZSA-N 0 3 314.429 4.488 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)cc1F ZINC000404675224 1056409470 /nfs/dbraw/zinc/40/94/70/1056409470.db2.gz FXCBXVGOJYBKIO-IBGZPJMESA-N 0 3 319.383 4.346 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1ccc2ccccc2n1 ZINC000303796117 1056418315 /nfs/dbraw/zinc/41/83/15/1056418315.db2.gz RKHLMNLZWDMNJZ-UHFFFAOYSA-N 0 3 302.421 4.466 20 30 DIEDHN C#CCN(C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615265770 1056484131 /nfs/dbraw/zinc/48/41/31/1056484131.db2.gz WWHYHRAHWUGSSI-UYAOXDASSA-N 0 3 309.453 4.101 20 30 DIEDHN N#Cc1ccnc(CN2CCC[C@H]2c2cccc3ccccc32)c1 ZINC001615252274 1056485052 /nfs/dbraw/zinc/48/50/52/1056485052.db2.gz XYBTYXKLCWOEBZ-NRFANRHFSA-N 0 3 313.404 4.444 20 30 DIEDHN C=CCN(Cc1cncc(-c2cc(F)ccc2OC)c1)C(C)C ZINC001615302619 1056490005 /nfs/dbraw/zinc/49/00/05/1056490005.db2.gz GUELKFRVETYOQC-UHFFFAOYSA-N 0 3 314.404 4.293 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N1CC[C@H](N2CCC2)C1 ZINC001585225162 1056511475 /nfs/dbraw/zinc/51/14/75/1056511475.db2.gz SCCKMHHSVNNOHJ-MSOLQXFVSA-N 0 3 308.510 4.070 20 30 DIEDHN CC(C)[C@@H]1CCCCN1Cc1cc(C#N)ccc1Br ZINC001615520160 1056522863 /nfs/dbraw/zinc/52/28/63/1056522863.db2.gz QZNQBRALRFAAPM-INIZCTEOSA-N 0 3 321.262 4.331 20 30 DIEDHN Cc1cc([C@H](NCc2csc(C#N)c2)C2CC2)ccc1F ZINC000921936133 1056648619 /nfs/dbraw/zinc/64/86/19/1056648619.db2.gz ARCKFZKDFLIXGU-QGZVFWFLSA-N 0 3 300.402 4.308 20 30 DIEDHN C#CCN(Cc1ccc(Oc2ccccc2)c(F)c1)CC1CC1 ZINC001616403814 1056652434 /nfs/dbraw/zinc/65/24/34/1056652434.db2.gz VBLNMDGIHTWSPS-UHFFFAOYSA-N 0 3 309.384 4.463 20 30 DIEDHN CC[C@@]1(C)COCCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001616888525 1056732938 /nfs/dbraw/zinc/73/29/38/1056732938.db2.gz XWOPSCAGEMKHCJ-NRFANRHFSA-N 0 3 320.436 4.226 20 30 DIEDHN N#Cc1cc(CNC[C@@H](c2ccccc2)C(F)(F)F)cs1 ZINC000922018110 1056744278 /nfs/dbraw/zinc/74/42/78/1056744278.db2.gz HFPAIVKJWJPIHL-AWEZNQCLSA-N 0 3 310.344 4.055 20 30 DIEDHN N#CCCC[C@@H](NCc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC000922145091 1056845619 /nfs/dbraw/zinc/84/56/19/1056845619.db2.gz LKDWMTDWTAYILH-MRXNPFEDSA-N 0 3 321.380 4.058 20 30 DIEDHN N#CCCC[C@@H](NCc1cccc2c1OCC2)c1ccccc1 ZINC000922144473 1056845668 /nfs/dbraw/zinc/84/56/68/1056845668.db2.gz DYHQWZAKBPUEFF-LJQANCHMSA-N 0 3 306.409 4.146 20 30 DIEDHN C[C@H]1c2ccsc2CCN1CCCOc1cccc(C#N)c1 ZINC000315264558 1056957600 /nfs/dbraw/zinc/95/76/00/1056957600.db2.gz DYOBHXBBWUKYDS-AWEZNQCLSA-N 0 3 312.438 4.008 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000318305418 1057016831 /nfs/dbraw/zinc/01/68/31/1057016831.db2.gz REMSTJGWPFVXSZ-GOSISDBHSA-N 0 3 300.352 4.323 20 30 DIEDHN C[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1C(F)(F)F ZINC000555104307 1057027403 /nfs/dbraw/zinc/02/74/03/1057027403.db2.gz UZJGRQYTIZMDPK-QMMMGPOBSA-N 0 3 310.241 4.008 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922542618 1057032421 /nfs/dbraw/zinc/03/24/21/1057032421.db2.gz WPEHVXPEMZOGHC-CQSZACIVSA-N 0 3 323.396 4.247 20 30 DIEDHN [O-]/N=C/c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC001241390325 1057036322 /nfs/dbraw/zinc/03/63/22/1057036322.db2.gz NMSTYKLISAECJA-FYJGNVAPSA-N 0 3 312.388 4.287 20 30 DIEDHN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000922666256 1057046389 /nfs/dbraw/zinc/04/63/89/1057046389.db2.gz YXXSOGRFOFVEKX-HUUCEWRRSA-N 0 3 312.388 4.276 20 30 DIEDHN N#Cc1c(F)cc(C2=CCN(Cc3ccccc3)CC2)cc1F ZINC001241504620 1057075081 /nfs/dbraw/zinc/07/50/81/1057075081.db2.gz WUVRURQGLKTBCV-UHFFFAOYSA-N 0 3 310.347 4.126 20 30 DIEDHN CC(C)(C#N)c1ccc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241504361 1057075892 /nfs/dbraw/zinc/07/58/92/1057075892.db2.gz FTFLXRTXOWSEFB-UHFFFAOYSA-N 0 3 317.436 4.172 20 30 DIEDHN COc1ccc([C@H](NCc2csc(C#N)c2)C2CCC2)cc1 ZINC000922886696 1057085883 /nfs/dbraw/zinc/08/58/83/1057085883.db2.gz CSCAFNOZBXXBMC-GOSISDBHSA-N 0 3 312.438 4.259 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1ccncc1 ZINC000766021573 1057120824 /nfs/dbraw/zinc/12/08/24/1057120824.db2.gz UPHHCTNMRGLHCN-KDOFPFPSSA-N 0 3 313.420 4.255 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1sc(CC)nc1C)c1ccncc1 ZINC000766022361 1057122863 /nfs/dbraw/zinc/12/28/63/1057122863.db2.gz RPRRCAPYXJPURP-DOMZBBRYSA-N 0 3 301.459 4.377 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1sc(CC)nc1C)c1ccncc1 ZINC000766022369 1057122957 /nfs/dbraw/zinc/12/29/57/1057122957.db2.gz RPRRCAPYXJPURP-WFASDCNBSA-N 0 3 301.459 4.377 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCCc2ccc(OC)cc21)c1ccncc1 ZINC000766021927 1057123173 /nfs/dbraw/zinc/12/31/73/1057123173.db2.gz VOWJRUCRNCZHTM-VQTJNVASSA-N 0 3 308.425 4.375 20 30 DIEDHN CCN1CCN(c2ccc(-c3ccc([C@H](C)C#N)cc3)cc2)CC1 ZINC001241744064 1057154119 /nfs/dbraw/zinc/15/41/19/1057154119.db2.gz MDVQORWWUXMPDC-QGZVFWFLSA-N 0 3 319.452 4.123 20 30 DIEDHN N#CCCCOc1cccc(CNCc2ccc(Cl)s2)c1 ZINC000171246670 1057223371 /nfs/dbraw/zinc/22/33/71/1057223371.db2.gz NPTFIIWTUKCHBT-UHFFFAOYSA-N 0 3 320.845 4.374 20 30 DIEDHN CCN(CC)Cc1cc(-c2cccc(OC)c2C#N)ccc1F ZINC001242299397 1057326142 /nfs/dbraw/zinc/32/61/42/1057326142.db2.gz OUCHELCYGXZSOI-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000245948565 1057349799 /nfs/dbraw/zinc/34/97/99/1057349799.db2.gz WDAZUMWUAROFIM-BEVDRBHNSA-N 0 3 306.409 4.129 20 30 DIEDHN CC(C)COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174430708 1057361530 /nfs/dbraw/zinc/36/15/30/1057361530.db2.gz PTRNNMBUXCKCHL-MRXNPFEDSA-N 0 3 308.425 4.444 20 30 DIEDHN N#Cc1cc(CN2CCCC[C@H]2CCCc2ccccc2)ccn1 ZINC000611039102 1057580664 /nfs/dbraw/zinc/58/06/64/1057580664.db2.gz LPOKZGSCUVMDQZ-NRFANRHFSA-N 0 3 319.452 4.331 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000611259286 1057587790 /nfs/dbraw/zinc/58/77/90/1057587790.db2.gz USPFKCLZUVZBSK-HNNXBMFYSA-N 0 3 305.381 4.012 20 30 DIEDHN COCc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000611392987 1057595412 /nfs/dbraw/zinc/59/54/12/1057595412.db2.gz ARTYAIJHJSOZEI-HXUWFJFHSA-N 0 3 324.399 4.011 20 30 DIEDHN N#Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)ccn1 ZINC000611391517 1057595440 /nfs/dbraw/zinc/59/54/40/1057595440.db2.gz KIHQOUVVCQSWRN-GOSISDBHSA-N 0 3 311.816 4.238 20 30 DIEDHN COc1cc(C)cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394489 1057595997 /nfs/dbraw/zinc/59/59/97/1057595997.db2.gz MUDQKTHGIZYFNB-HXUWFJFHSA-N 0 3 306.409 4.043 20 30 DIEDHN Cc1c2ccccc2oc1[C@H](NCc1ccnc(C#N)c1)C(C)C ZINC000611394127 1057596082 /nfs/dbraw/zinc/59/60/82/1057596082.db2.gz KRJHBVCHJLMEMY-LJQANCHMSA-N 0 3 319.408 4.495 20 30 DIEDHN CCc1cnccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611395092 1057596108 /nfs/dbraw/zinc/59/61/08/1057596108.db2.gz LGHWDWNSCPYXNM-VLIAUNLRSA-N 0 3 305.425 4.244 20 30 DIEDHN COc1cc(C)cc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394488 1057596119 /nfs/dbraw/zinc/59/61/19/1057596119.db2.gz MUDQKTHGIZYFNB-FQEVSTJZSA-N 0 3 306.409 4.043 20 30 DIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000730064284 1057702172 /nfs/dbraw/zinc/70/21/72/1057702172.db2.gz PCSMQIBRVLQCDP-UHFFFAOYSA-N 0 3 323.440 4.002 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(OCC#N)cc2)ccc1F ZINC001243591502 1057726604 /nfs/dbraw/zinc/72/66/04/1057726604.db2.gz HZSSZIXINVNAHD-UHFFFAOYSA-N 0 3 312.388 4.237 20 30 DIEDHN C#CCOc1ccc(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1 ZINC000733324745 1057812863 /nfs/dbraw/zinc/81/28/63/1057812863.db2.gz ADXWYALKHWNHCG-LJQANCHMSA-N 0 3 323.436 4.403 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC001517064391 1058226604 /nfs/dbraw/zinc/22/66/04/1058226604.db2.gz KAZGFZXATYKAGD-MAUKXSAKSA-N 0 3 323.440 4.396 20 30 DIEDHN C=C[C@@H](OC(=O)c1ccc(CN(CC)CC)o1)c1ccccc1 ZINC001528623056 1058470195 /nfs/dbraw/zinc/47/01/95/1058470195.db2.gz AUGZTCWLZXOVBO-QGZVFWFLSA-N 0 3 313.397 4.206 20 30 DIEDHN CCCCCCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC001530061218 1058925149 /nfs/dbraw/zinc/92/51/49/1058925149.db2.gz QZKFJIHRPPSEQB-GOSISDBHSA-N 0 3 316.489 4.257 20 30 DIEDHN C#CCN(Cc1cc(C)ccc1OC(F)F)C1CCCCC1 ZINC001559513863 1059309698 /nfs/dbraw/zinc/30/96/98/1059309698.db2.gz JBDMDKNMIMDJSJ-UHFFFAOYSA-N 0 3 307.384 4.364 20 30 DIEDHN N#Cc1cccc(OC2CCN(Cc3ccccc3CF)CC2)c1 ZINC001559531826 1059327737 /nfs/dbraw/zinc/32/77/37/1059327737.db2.gz ZYOCRZCFHGDOND-UHFFFAOYSA-N 0 3 324.399 4.071 20 30 DIEDHN C=CCN(Cc1cccc2c1OCCO2)CC1CCCCC1 ZINC001559537622 1059337709 /nfs/dbraw/zinc/33/77/09/1059337709.db2.gz BJMBMKKCLXKCPF-UHFFFAOYSA-N 0 3 301.430 4.026 20 30 DIEDHN CCCN(CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001559574397 1059404377 /nfs/dbraw/zinc/40/43/77/1059404377.db2.gz YOUZLYMECGBEQG-DLBZAZTESA-N 0 3 304.478 4.130 20 30 DIEDHN Cc1ccccc1SC[C@H](C)CN(CCC#N)CC1CC1 ZINC001559578865 1059412317 /nfs/dbraw/zinc/41/23/17/1059412317.db2.gz VKMPBSGVSFLKDL-OAHLLOKOSA-N 0 3 302.487 4.349 20 30 DIEDHN CC(C)CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559627448 1059455746 /nfs/dbraw/zinc/45/57/46/1059455746.db2.gz YNEDMIZOFQCUME-KRWDZBQOSA-N 0 3 315.417 4.257 20 30 DIEDHN N#Cc1cncc(CN2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001559661871 1059492265 /nfs/dbraw/zinc/49/22/65/1059492265.db2.gz IQDWFSYQGKBJCR-LJQANCHMSA-N 0 3 319.452 4.188 20 30 DIEDHN Cc1ccc(CC2CCN(Cc3ccc(C#N)s3)CC2)cc1 ZINC001559672889 1059498872 /nfs/dbraw/zinc/49/88/72/1059498872.db2.gz WSVYSTALGUERHG-UHFFFAOYSA-N 0 3 310.466 4.383 20 30 DIEDHN CCCCCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001559691941 1059521323 /nfs/dbraw/zinc/52/13/23/1059521323.db2.gz VWFNVALEEJEMMP-HZPDHXFCSA-N 0 3 312.498 4.287 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001559740963 1059576427 /nfs/dbraw/zinc/57/64/27/1059576427.db2.gz UTUFXMLDHQILGD-QGZVFWFLSA-N 0 3 324.509 4.454 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001559807509 1059642347 /nfs/dbraw/zinc/64/23/47/1059642347.db2.gz GJRLGOTZGVKOTB-LJQANCHMSA-N 0 3 315.457 4.141 20 30 DIEDHN CC[C@@H](c1ccccc1OC)N(C)CCOc1ccccc1C#N ZINC001559879429 1059698622 /nfs/dbraw/zinc/69/86/22/1059698622.db2.gz JGSIHHRQWZALQS-SFHVURJKSA-N 0 3 324.424 4.029 20 30 DIEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2CCC2)c(OC(F)F)c1 ZINC001559970127 1059778281 /nfs/dbraw/zinc/77/82/81/1059778281.db2.gz CVQLLNBZIUIDPR-MRXNPFEDSA-N 0 3 320.383 4.314 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC001559983476 1059790974 /nfs/dbraw/zinc/79/09/74/1059790974.db2.gz SDSGORAZZBYMTQ-OAHLLOKOSA-N 0 3 312.413 4.138 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248520316 1059861514 /nfs/dbraw/zinc/86/15/14/1059861514.db2.gz QCOVBCBAJNRDEG-OAHLLOKOSA-N 0 3 310.828 4.247 20 30 DIEDHN CC[C@@H](NCc1cc(C#N)ccc1OC)c1cc(C)ccc1C ZINC001560069780 1059880406 /nfs/dbraw/zinc/88/04/06/1059880406.db2.gz BECOTNNIWYQNIV-LJQANCHMSA-N 0 3 308.425 4.425 20 30 DIEDHN CC[C@H](NCc1cc(C#N)ccc1OC)c1cc(C)ccc1C ZINC001560069779 1059883319 /nfs/dbraw/zinc/88/33/19/1059883319.db2.gz BECOTNNIWYQNIV-IBGZPJMESA-N 0 3 308.425 4.425 20 30 DIEDHN N#CC(CCN1CCC(F)CC1)(c1ccccc1)c1ccccc1 ZINC001560105299 1059913222 /nfs/dbraw/zinc/91/32/22/1059913222.db2.gz ZBCXJFMTQXCOQF-UHFFFAOYSA-N 0 3 322.427 4.320 20 30 DIEDHN C[C@H](CN(C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001560127752 1059932465 /nfs/dbraw/zinc/93/24/65/1059932465.db2.gz VNOKMRHENVACQO-GFCCVEGCSA-N 0 3 323.278 4.435 20 30 DIEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001560133409 1059933689 /nfs/dbraw/zinc/93/36/89/1059933689.db2.gz XKKLWICUCSVZNN-MGPUTAFESA-N 0 3 306.409 4.150 20 30 DIEDHN CCc1cc(C#N)ccc1CN1CCC[C@H]1c1ccccc1OC ZINC001248751247 1059964443 /nfs/dbraw/zinc/96/44/43/1059964443.db2.gz PHWKOKCDCQYKLP-FQEVSTJZSA-N 0 3 320.436 4.466 20 30 DIEDHN C#CCN(CCOCC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC001560171999 1059967993 /nfs/dbraw/zinc/96/79/93/1059967993.db2.gz LMIPGVHEUGYMKB-OAQYLSRUSA-N 0 3 311.469 4.206 20 30 DIEDHN C=CCCOCCNCc1c(OC(F)F)ccc2ccccc21 ZINC001560429606 1060215102 /nfs/dbraw/zinc/21/51/02/1060215102.db2.gz UECIZNJVHBRUEW-UHFFFAOYSA-N 0 3 321.367 4.124 20 30 DIEDHN COc1ccc([C@@H](C)N(C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429503 1060245652 /nfs/dbraw/zinc/24/56/52/1060245652.db2.gz DTCKHEWSCUZGIM-CQSZACIVSA-N 0 3 319.408 4.241 20 30 DIEDHN C=CCN(Cc1cccc2cnc(SCC)n21)C(C)(C)C ZINC001249501433 1060264950 /nfs/dbraw/zinc/26/49/50/1060264950.db2.gz VLYPMXXIOQDSKZ-UHFFFAOYSA-N 0 3 303.475 4.233 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC)c(C(C)(C)C)c2)cc1 ZINC001560478101 1060269755 /nfs/dbraw/zinc/26/97/55/1060269755.db2.gz JFDXWRLFDRMHBO-UHFFFAOYSA-N 0 3 307.437 4.264 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)c1oc2c(c1C)c(C)ccc2C ZINC001526593418 1060271221 /nfs/dbraw/zinc/27/12/21/1060271221.db2.gz GBPSBMUSLFQCSE-CQSZACIVSA-N 0 3 321.380 4.065 20 30 DIEDHN CCCCCCCNC(=S)Nc1cccc(CN(C)C)c1 ZINC001249640196 1060326853 /nfs/dbraw/zinc/32/68/53/1060326853.db2.gz APQRLFFIOHIYNI-UHFFFAOYSA-N 0 3 307.507 4.005 20 30 DIEDHN C#CCN(Cc1cccc2c1CCC2)[C@@H]1CCc2ccccc21 ZINC001560701487 1060559007 /nfs/dbraw/zinc/55/90/07/1060559007.db2.gz NNYPPFBKZYGWTP-JOCHJYFZSA-N 0 3 301.433 4.298 20 30 DIEDHN C#C[C@@H](C)N(C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001560792997 1060651455 /nfs/dbraw/zinc/65/14/55/1060651455.db2.gz BOYKILTYMANAAU-VEGGFIAOSA-N 0 3 305.421 4.232 20 30 DIEDHN C#C[C@@H](NCCCC(F)(F)F)c1ccc(Br)cc1 ZINC001560854249 1060712506 /nfs/dbraw/zinc/71/25/06/1060712506.db2.gz DTUBYQYEYTYXSQ-GFCCVEGCSA-N 0 3 320.152 4.056 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H](CC=C)C1 ZINC001560922943 1060788542 /nfs/dbraw/zinc/78/85/42/1060788542.db2.gz MLXYPELKJMZUPW-HNNXBMFYSA-N 0 3 303.833 4.140 20 30 DIEDHN CC[C@@H](C)CN(CC)Cc1ccc(C#N)cc1Br ZINC001473203621 1060971317 /nfs/dbraw/zinc/97/13/17/1060971317.db2.gz HDDAHZHGCBQZOP-GFCCVEGCSA-N 0 3 309.251 4.189 20 30 DIEDHN C=C(C)CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473208547 1060975403 /nfs/dbraw/zinc/97/54/03/1060975403.db2.gz QYZDGEHFATUPDU-ZDUSSCGKSA-N 0 3 300.229 4.413 20 30 DIEDHN CCC(CC)(NCC#CCOC)c1ccc(Cl)c(Cl)c1 ZINC001473263534 1061040316 /nfs/dbraw/zinc/04/03/16/1061040316.db2.gz TUVWXBCBNLSSOK-UHFFFAOYSA-N 0 3 314.256 4.248 20 30 DIEDHN C#C[C@@H](NCc1cc(-c2ccccc2C)ccc1OC)C(C)C ZINC001462225308 1061042235 /nfs/dbraw/zinc/04/22/35/1061042235.db2.gz TZYJDBPFUMBJST-HXUWFJFHSA-N 0 3 307.437 4.418 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC001462237183 1061048527 /nfs/dbraw/zinc/04/85/27/1061048527.db2.gz ZXWVIRCPVWRSGP-KXBFYZLASA-N 0 3 319.876 4.464 20 30 DIEDHN C#CC[C@H](NCc1cnc(OC)c2ccccc12)c1ccccc1 ZINC001473331914 1061091725 /nfs/dbraw/zinc/09/17/25/1061091725.db2.gz QGYBJEMRXAXUFO-FQEVSTJZSA-N 0 3 316.404 4.098 20 30 DIEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001462337028 1061112601 /nfs/dbraw/zinc/11/26/01/1061112601.db2.gz XMNDIMTXSAOXHB-XLIONFOSSA-N 0 3 308.400 4.465 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001462366082 1061129871 /nfs/dbraw/zinc/12/98/71/1061129871.db2.gz VSAXZMNMUFINBP-LSDHHAIUSA-N 0 3 306.409 4.075 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400255 1061136537 /nfs/dbraw/zinc/13/65/37/1061136537.db2.gz NNYSOYNBDNZDJJ-WMLDXEAASA-N 0 3 307.384 4.131 20 30 DIEDHN CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473422149 1061151446 /nfs/dbraw/zinc/15/14/46/1061151446.db2.gz MHGRAWUUMMOXSS-OAHLLOKOSA-N 0 3 322.399 4.418 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001462413139 1061157513 /nfs/dbraw/zinc/15/75/13/1061157513.db2.gz JKINNXPSAHHVRA-AWEZNQCLSA-N 0 3 321.486 4.492 20 30 DIEDHN C=C(Br)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001473452104 1061168335 /nfs/dbraw/zinc/16/83/35/1061168335.db2.gz KIBHDEYULXGYOJ-ARFHVFGLSA-N 0 3 306.247 4.163 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001462523392 1061231873 /nfs/dbraw/zinc/23/18/73/1061231873.db2.gz PTJAJJMELFUVND-JCCCHCCOSA-N 0 3 320.358 4.097 20 30 DIEDHN CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC001462543380 1061249860 /nfs/dbraw/zinc/24/98/60/1061249860.db2.gz CRHRSCFZBPYMCZ-XJKSGUPXSA-N 0 3 306.837 4.299 20 30 DIEDHN N#CC1CCC(CN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CC1 ZINC001473603413 1061279438 /nfs/dbraw/zinc/27/94/38/1061279438.db2.gz HUYUUQYZVVDIJV-OYOWGXFISA-N 0 3 324.468 4.311 20 30 DIEDHN C=CC[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC001473627372 1061298284 /nfs/dbraw/zinc/29/82/84/1061298284.db2.gz JLPDVWWUPKITBR-CQSZACIVSA-N 0 3 324.262 4.116 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001473661900 1061324156 /nfs/dbraw/zinc/32/41/56/1061324156.db2.gz DMRUIXVNFNVBFI-DVOMOZLQSA-N 0 3 312.240 4.210 20 30 DIEDHN COc1nc(C)cc(C)c1CN(C)CCCCC1(C#N)CCC1 ZINC001473673840 1061336883 /nfs/dbraw/zinc/33/68/83/1061336883.db2.gz KAFGXYHMRCHPAN-UHFFFAOYSA-N 0 3 315.461 4.003 20 30 DIEDHN CC(C)c1ccccc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001473726210 1061374023 /nfs/dbraw/zinc/37/40/23/1061374023.db2.gz WVAGCBWJCAMARL-UHFFFAOYSA-N 0 3 319.452 4.004 20 30 DIEDHN C[C@H](c1cc(F)ccc1F)N(C)CCc1cccc(C#N)c1 ZINC001473732213 1061378736 /nfs/dbraw/zinc/37/87/36/1061378736.db2.gz PMPYPKNVBGFDMJ-CYBMUJFWSA-N 0 3 300.352 4.072 20 30 DIEDHN Clc1ccc(C#CCN(CCc2ccccc2)C2CC2)cc1 ZINC001473821648 1061425298 /nfs/dbraw/zinc/42/52/98/1061425298.db2.gz PTZRLORUIVEPRI-UHFFFAOYSA-N 0 3 309.840 4.399 20 30 DIEDHN Cc1cc(CNCc2cccc(C#N)c2)ccc1C(F)(F)F ZINC001473926968 1061474745 /nfs/dbraw/zinc/47/47/45/1061474745.db2.gz RLXPAGAWWLVOOX-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN N#Cc1ccc(F)cc1NC[C@H](c1cccs1)N1CCCC1 ZINC001458045276 1061544600 /nfs/dbraw/zinc/54/46/00/1061544600.db2.gz JRXCBBFRHWLZQW-MRXNPFEDSA-N 0 3 315.417 4.008 20 30 DIEDHN CCCCCCCC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC001252128216 1061586914 /nfs/dbraw/zinc/58/69/14/1061586914.db2.gz KLGDATYSCUFCFY-GJZGRUSLSA-N 0 3 309.416 4.372 20 30 DIEDHN C=C(C)CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC001474144436 1061690004 /nfs/dbraw/zinc/69/00/04/1061690004.db2.gz OVJURIJPFBFDEY-UHFFFAOYSA-N 0 3 306.203 4.375 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cc(C)ccn1 ZINC001252979887 1061768701 /nfs/dbraw/zinc/76/87/01/1061768701.db2.gz HJMMDZRVHYHHTL-LJQANCHMSA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ccncc1F ZINC001252985787 1061775600 /nfs/dbraw/zinc/77/56/00/1061775600.db2.gz HCNBDNJPTAJLDJ-QGZVFWFLSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@H](O)CN[C@H](C)c1cncnc1 ZINC001252987049 1061777172 /nfs/dbraw/zinc/77/71/72/1061777172.db2.gz QIMVQOGUDSATQM-AEFFLSMTSA-N 0 3 307.482 4.019 20 30 DIEDHN C=C[C@@H](NC[C@@H](O)COC[C@@H](CC)CCCC)c1ccccc1 ZINC001253033973 1061788385 /nfs/dbraw/zinc/78/83/85/1061788385.db2.gz NLUSSWMKXYYQPY-DFQSSKMNSA-N 0 3 319.489 4.097 20 30 DIEDHN C=C[C@@H](NC[C@H](O)COC[C@H](CC)CCCC)c1ccccc1 ZINC001253034045 1061788521 /nfs/dbraw/zinc/78/85/21/1061788521.db2.gz NLUSSWMKXYYQPY-YZGWKJHDSA-N 0 3 319.489 4.097 20 30 DIEDHN CSc1ccc(CNCc2cccc(C3CC3)c2)cc1C#N ZINC001474265602 1061831657 /nfs/dbraw/zinc/83/16/57/1061831657.db2.gz CENTUMAFUVOTBV-UHFFFAOYSA-N 0 3 308.450 4.447 20 30 DIEDHN C=CCCCCCC[C@@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001253240374 1061839398 /nfs/dbraw/zinc/83/93/98/1061839398.db2.gz KCHSQSVROYGQJT-GOSISDBHSA-N 0 3 305.462 4.102 20 30 DIEDHN C=CCCCCCC[C@@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001253240374 1061839411 /nfs/dbraw/zinc/83/94/11/1061839411.db2.gz KCHSQSVROYGQJT-GOSISDBHSA-N 0 3 305.462 4.102 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H](C)c1nc2ccccc2[nH]1 ZINC001253245636 1061846843 /nfs/dbraw/zinc/84/68/43/1061846843.db2.gz ADJTYDRZUBFPOS-HZPDHXFCSA-N 0 3 315.461 4.101 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1ccc2ccccc2n1 ZINC001253248116 1061849699 /nfs/dbraw/zinc/84/96/99/1061849699.db2.gz QKFNVUXATICGEF-IBGZPJMESA-N 0 3 312.457 4.212 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H]1CCOc2ccc(F)cc21 ZINC001253247472 1061850142 /nfs/dbraw/zinc/85/01/42/1061850142.db2.gz ZNPYDQFNHCKRSF-FUHWJXTLSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H]1CCOc2c(F)cccc21 ZINC001253249330 1061850391 /nfs/dbraw/zinc/85/03/91/1061850391.db2.gz JMFNGSUBIDGVAR-CRAIPNDOSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1csc(Cl)c1 ZINC001253252069 1061854878 /nfs/dbraw/zinc/85/48/78/1061854878.db2.gz QRFVIYLKOCSUCQ-CQSZACIVSA-N 0 3 301.883 4.379 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H](c1ccc(F)cn1)C1CC1 ZINC001253255194 1061857802 /nfs/dbraw/zinc/85/78/02/1061857802.db2.gz XQUGCZXLTRYQEY-MJGOQNOKSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H](C)c1cccc(F)c1OC ZINC001253257183 1061859617 /nfs/dbraw/zinc/85/96/17/1061859617.db2.gz OHRRKEZLFROQFP-HOTGVXAUSA-N 0 3 323.452 4.372 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc2c1CCC2 ZINC001474327239 1061913398 /nfs/dbraw/zinc/91/33/98/1061913398.db2.gz FUADRXHILIXMOS-UHFFFAOYSA-N 0 3 307.437 4.372 20 30 DIEDHN C[C@@H](c1ccccc1)N(Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC001254388780 1062091962 /nfs/dbraw/zinc/09/19/62/1062091962.db2.gz IKMVAHHVHOYDLN-LAUBAEHRSA-N 0 3 320.436 4.300 20 30 DIEDHN CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001459494540 1062168512 /nfs/dbraw/zinc/16/85/12/1062168512.db2.gz WUMODQDBFINQSL-MRXNPFEDSA-N 0 3 315.417 4.115 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC001459516085 1062180321 /nfs/dbraw/zinc/18/03/21/1062180321.db2.gz RVOLDACQCRFHLJ-IBGZPJMESA-N 0 3 312.363 4.216 20 30 DIEDHN CC[C@H]1CCCCCN1Cc1ccc(C#N)cc1Br ZINC001459526356 1062182110 /nfs/dbraw/zinc/18/21/10/1062182110.db2.gz DMMIBYSOQWLZDQ-HNNXBMFYSA-N 0 3 321.262 4.475 20 30 DIEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)ccc2cc(C)ccc21 ZINC001467729022 1062193441 /nfs/dbraw/zinc/19/34/41/1062193441.db2.gz XIYOBJOAIZLNPQ-UHFFFAOYSA-N 0 3 324.468 4.037 20 30 DIEDHN COc1cccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc2)c1 ZINC001254646067 1062215497 /nfs/dbraw/zinc/21/54/97/1062215497.db2.gz JVRYIHAIBQPLPC-XFQXTVEOSA-N 0 3 306.409 4.066 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018809 1062298765 /nfs/dbraw/zinc/29/87/65/1062298765.db2.gz KXOHIINOJAHXRR-QFBILLFUSA-N 0 3 311.425 4.117 20 30 DIEDHN CCCCCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001459758054 1062370812 /nfs/dbraw/zinc/37/08/12/1062370812.db2.gz BLMZPOIYZSWQDE-UHFFFAOYSA-N 0 3 308.441 4.445 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](CC=C)C2)cc1OC ZINC001474647493 1062376707 /nfs/dbraw/zinc/37/67/07/1062376707.db2.gz QIWRXWZDEKZFDU-AWEZNQCLSA-N 0 3 321.848 4.311 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@@H](CC=C)C2)cc1OC ZINC001474647495 1062377452 /nfs/dbraw/zinc/37/74/52/1062377452.db2.gz QIWRXWZDEKZFDU-CQSZACIVSA-N 0 3 321.848 4.311 20 30 DIEDHN C=CCOCCN[C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001459846222 1062444525 /nfs/dbraw/zinc/44/45/25/1062444525.db2.gz WEXBVCYDRNMDJG-INIZCTEOSA-N 0 3 311.853 4.228 20 30 DIEDHN CC[C@H](NCc1c(C)cc(C#N)cc1C)c1cccc([N+](=O)[O-])c1 ZINC001459863499 1062458373 /nfs/dbraw/zinc/45/83/73/1062458373.db2.gz JDJBTGUSRCVZLM-IBGZPJMESA-N 0 3 323.396 4.324 20 30 DIEDHN C=CCCCCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001459925928 1062500222 /nfs/dbraw/zinc/50/02/22/1062500222.db2.gz BLQSUFABKXIYII-INIZCTEOSA-N 0 3 315.379 4.158 20 30 DIEDHN C=CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC001459943113 1062511540 /nfs/dbraw/zinc/51/15/40/1062511540.db2.gz BWIPMAGMWXXSFC-QGZVFWFLSA-N 0 3 322.880 4.195 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980805 1062541926 /nfs/dbraw/zinc/54/19/26/1062541926.db2.gz QZBCDAHOLZEKHI-YOEHRIQHSA-N 0 3 307.384 4.273 20 30 DIEDHN CCCCO[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081403 1062620363 /nfs/dbraw/zinc/62/03/63/1062620363.db2.gz YFSZRIWDNSOCDG-ROUUACIJSA-N 0 3 319.876 4.265 20 30 DIEDHN Cc1cccc2c1CC(C)(C)N(CCOc1ccccc1C#N)C2 ZINC001460139391 1062658102 /nfs/dbraw/zinc/65/81/02/1062658102.db2.gz LJHWCSTXZYCLDA-UHFFFAOYSA-N 0 3 320.436 4.082 20 30 DIEDHN CN(CCC1(C#N)CCCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC001460140730 1062658654 /nfs/dbraw/zinc/65/86/54/1062658654.db2.gz CVCDCKNSXQPOOV-QGZVFWFLSA-N 0 3 320.864 4.169 20 30 DIEDHN C[C@H](Cc1cccc(Br)c1)NCC1(C#N)CCCC1 ZINC001256176026 1062743028 /nfs/dbraw/zinc/74/30/28/1062743028.db2.gz YJIBTRGUSWOJSU-CYBMUJFWSA-N 0 3 321.262 4.054 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC001470297606 1062745438 /nfs/dbraw/zinc/74/54/38/1062745438.db2.gz PMEOOUJHQDVRTC-MSOLQXFVSA-N 0 3 310.526 4.220 20 30 DIEDHN C[C@H](CCc1ccc(Br)cc1)NCC1(C#N)CCC1 ZINC001256213952 1062750407 /nfs/dbraw/zinc/75/04/07/1062750407.db2.gz CYAIQPRAFQZRBQ-CYBMUJFWSA-N 0 3 321.262 4.054 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCCC[C@@H]1C1CCC1 ZINC001460343130 1062795511 /nfs/dbraw/zinc/79/55/11/1062795511.db2.gz NHEBOFPDWPYLMZ-QGZVFWFLSA-N 0 3 318.848 4.397 20 30 DIEDHN N#CC1CCC(n2c3ccccc3nc2[C@H]2CCCCN2)CC1 ZINC001256970015 1063064515 /nfs/dbraw/zinc/06/45/15/1063064515.db2.gz SABAMNROHXJKEX-VMBOVVBDSA-N 0 3 308.429 4.106 20 30 DIEDHN C#CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C(C)(C)C ZINC001460809184 1063074785 /nfs/dbraw/zinc/07/47/85/1063074785.db2.gz XKJSBFYPHNNRLE-UHFFFAOYSA-N 0 3 320.436 4.173 20 30 DIEDHN C#CCN(C[C@@H]1CCC2(CCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001460839920 1063094420 /nfs/dbraw/zinc/09/44/20/1063094420.db2.gz XVLGHEZVUZBMBI-AZUAARDMSA-N 0 3 309.453 4.101 20 30 DIEDHN N#Cc1cc(Cl)ccc1CN1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001460857503 1063103623 /nfs/dbraw/zinc/10/36/23/1063103623.db2.gz AZWCNTSMBPDXOC-WMZOPIPTSA-N 0 3 300.833 4.222 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC001460887474 1063118184 /nfs/dbraw/zinc/11/81/84/1063118184.db2.gz VGLNUANUESEOKO-HNNXBMFYSA-N 0 3 319.246 4.251 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001460946171 1063150523 /nfs/dbraw/zinc/15/05/23/1063150523.db2.gz HVJCIQLBQHMZQG-OXQOHEQNSA-N 0 3 306.409 4.083 20 30 DIEDHN Cc1ccc(CN2CC[C@H](Nc3cc(C)cc(F)c3C#N)C2)cc1 ZINC001472859227 1063286897 /nfs/dbraw/zinc/28/68/97/1063286897.db2.gz CUEYZUVRJSAWLJ-KRWDZBQOSA-N 0 3 323.415 4.001 20 30 DIEDHN C=CCN(Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C(C)C ZINC001473126280 1063431236 /nfs/dbraw/zinc/43/12/36/1063431236.db2.gz JJSAULNRUAWAAM-UHFFFAOYSA-N 0 3 319.832 4.405 20 30 DIEDHN C=CCN(CCSCc1ccccc1)Cc1cccc(C#N)c1 ZINC001473131939 1063436985 /nfs/dbraw/zinc/43/69/85/1063436985.db2.gz QTNZETCPDTXCJW-UHFFFAOYSA-N 0 3 322.477 4.480 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001473132168 1063440615 /nfs/dbraw/zinc/44/06/15/1063440615.db2.gz UTZKJNCCXIAPIA-VQTJNVASSA-N 0 3 306.384 4.241 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001473132166 1063441930 /nfs/dbraw/zinc/44/19/30/1063441930.db2.gz UTZKJNCCXIAPIA-PMACEKPBSA-N 0 3 306.384 4.241 20 30 DIEDHN CCc1cccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC001473155025 1063458740 /nfs/dbraw/zinc/45/87/40/1063458740.db2.gz KUVFXDBYBOKMJE-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN CCCCCCC[C@@H](C)N[C@@H](CC(=O)OC)c1ccccn1 ZINC001258041330 1063475116 /nfs/dbraw/zinc/47/51/16/1063475116.db2.gz RNJALNXQSHJPDO-WBVHZDCISA-N 0 3 306.450 4.024 20 30 DIEDHN CCCCCCC[C@@H](C)n1nc(C(F)(F)F)c2c1CNCC2 ZINC001258049592 1063481601 /nfs/dbraw/zinc/48/16/01/1063481601.db2.gz LOGYBZVLSGRVDP-GFCCVEGCSA-N 0 3 317.399 4.469 20 30 DIEDHN CCCCCCCCCCC[C@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258053267 1063485915 /nfs/dbraw/zinc/48/59/15/1063485915.db2.gz XWQMZKZHGBWLHC-ROUUACIJSA-N 0 3 323.525 4.397 20 30 DIEDHN C=CCSCCNCc1cc(C(F)(F)F)ccc1Cl ZINC001461428961 1063497068 /nfs/dbraw/zinc/49/70/68/1063497068.db2.gz VGGJNLLJNFOUMV-UHFFFAOYSA-N 0 3 309.784 4.368 20 30 DIEDHN C=C(C)CCNCc1cc(OC(F)F)ccc1Br ZINC001461514979 1063548727 /nfs/dbraw/zinc/54/87/27/1063548727.db2.gz UPTJZZNGBKRODM-UHFFFAOYSA-N 0 3 320.177 4.106 20 30 DIEDHN CCCCCCCCC[C@H](C)NCc1cc2n(n1)CCCO2 ZINC001258227793 1063569099 /nfs/dbraw/zinc/56/90/99/1063569099.db2.gz BCWDZWAMFBJVFW-INIZCTEOSA-N 0 3 307.482 4.284 20 30 DIEDHN C#CC1(NCc2ccc(OCCCC)c(OCC)c2)CCCC1 ZINC001461720037 1063678381 /nfs/dbraw/zinc/67/83/81/1063678381.db2.gz ZJECBWLTNOSZCL-UHFFFAOYSA-N 0 3 315.457 4.300 20 30 DIEDHN C#CCCOc1ccc(CNCc2cc(Cl)ccc2C)cc1 ZINC001461796837 1063723515 /nfs/dbraw/zinc/72/35/15/1063723515.db2.gz QDGGAGQEWACCBY-UHFFFAOYSA-N 0 3 313.828 4.340 20 30 DIEDHN CCCCCCC[C@@H](CC(C)C)n1cc(CN)c(C)nc1=N ZINC001258714889 1063773476 /nfs/dbraw/zinc/77/34/76/1063773476.db2.gz WYMLTQIWTVKDSC-KRWDZBQOSA-N 0 3 306.498 4.077 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC001462016871 1063881247 /nfs/dbraw/zinc/88/12/47/1063881247.db2.gz MNNRXDYNXDKBDF-UHFFFAOYSA-N 0 3 313.397 4.131 20 30 DIEDHN CCN(CC#Cc1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 ZINC001307426867 1065386385 /nfs/dbraw/zinc/38/63/85/1065386385.db2.gz QVYCLPKKBRNTQJ-MRXNPFEDSA-N 0 3 311.400 4.269 20 30 DIEDHN C#CCN(C[C@@H]1CCCCC1(F)F)[C@@H]1CCc2ccccc21 ZINC001307428404 1065388054 /nfs/dbraw/zinc/38/80/54/1065388054.db2.gz CYYYJDMZCSAMNH-FUHWJXTLSA-N 0 3 303.396 4.435 20 30 DIEDHN CCO[C@@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552187 1065478056 /nfs/dbraw/zinc/47/80/56/1065478056.db2.gz SVDWSAGXWFLFFJ-RTBURBONSA-N 0 3 317.448 4.093 20 30 DIEDHN C=CCN(CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC001307939492 1065690518 /nfs/dbraw/zinc/69/05/18/1065690518.db2.gz UEECGKSRGLJVFN-HNNXBMFYSA-N 0 3 320.452 4.022 20 30 DIEDHN N#Cc1ccc(CN2CCCC3(CC3)CC2)c(Br)c1 ZINC001307973193 1065706480 /nfs/dbraw/zinc/70/64/80/1065706480.db2.gz XXAQBFKZACQPSA-UHFFFAOYSA-N 0 3 319.246 4.087 20 30 DIEDHN C[C@@]1(Cc2ccc(Cl)s2)CCCN1Cc1ccc(C#N)o1 ZINC001308124622 1065772722 /nfs/dbraw/zinc/77/27/22/1065772722.db2.gz LAOSCFZKQAHBMW-INIZCTEOSA-N 0 3 320.845 4.463 20 30 DIEDHN C=CCCCN(CC)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308135351 1065776208 /nfs/dbraw/zinc/77/62/08/1065776208.db2.gz XQUOYRZASBSGKA-GOSISDBHSA-N 0 3 314.473 4.005 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc(C(=O)OC)ccc1Cl ZINC001308135794 1065776462 /nfs/dbraw/zinc/77/64/62/1065776462.db2.gz JOMGNRUKASXWCE-HNNXBMFYSA-N 0 3 307.821 4.057 20 30 DIEDHN C#C[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1 ZINC001308142044 1065778073 /nfs/dbraw/zinc/77/80/73/1065778073.db2.gz OQHJVQWIVFURRY-HXUWFJFHSA-N 0 3 305.421 4.253 20 30 DIEDHN C=CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001308187589 1065799375 /nfs/dbraw/zinc/79/93/75/1065799375.db2.gz UCPJLFNFRGJWPH-UHFFFAOYSA-N 0 3 314.410 4.330 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1csc(C#N)c1 ZINC001308276472 1065876598 /nfs/dbraw/zinc/87/65/98/1065876598.db2.gz NCGREGSRJAMKGG-ZBEGNZNMSA-N 0 3 320.845 4.139 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(C(F)(F)F)cc2C)c1 ZINC001308437196 1065987165 /nfs/dbraw/zinc/98/71/65/1065987165.db2.gz ZTLBWHNZGPXDIK-UHFFFAOYSA-N 0 3 303.327 4.285 20 30 DIEDHN CSc1ccc(CNCc2ccc3c(c2)CCCC3)cc1C#N ZINC001308520335 1066042813 /nfs/dbraw/zinc/04/28/13/1066042813.db2.gz XSFZSUCLQGFBKO-UHFFFAOYSA-N 0 3 322.477 4.449 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(N(C)C)cc1C ZINC001308579166 1066093733 /nfs/dbraw/zinc/09/37/33/1066093733.db2.gz YEBHVJMHTOQPNF-UHFFFAOYSA-N 0 3 324.468 4.258 20 30 DIEDHN C=CCC[C@@H](C)NCc1cc(F)c(F)cc1Br ZINC001308752141 1066224604 /nfs/dbraw/zinc/22/46/04/1066224604.db2.gz VDSONJYFBZCEGU-SECBINFHSA-N 0 3 304.178 4.172 20 30 DIEDHN Cc1oc2ccccc2c1CN1CCc2c(CC#N)cccc2C1 ZINC001308889842 1066370481 /nfs/dbraw/zinc/37/04/81/1066370481.db2.gz QKYKKNPKWIVXBM-UHFFFAOYSA-N 0 3 316.404 4.366 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000088764674 185264429 /nfs/dbraw/zinc/26/44/29/185264429.db2.gz DBFJHCPVKPFCSP-INIZCTEOSA-N 0 3 305.425 4.009 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(CCC)CC1CC1 ZINC000096970336 185394632 /nfs/dbraw/zinc/39/46/32/185394632.db2.gz HXAKHJPDZZPZMS-UHFFFAOYSA-N 0 3 318.486 4.025 20 30 DIEDHN C=CCC[C@H](NCc1ccccc1Cn1ccnc1)c1ccco1 ZINC000285719476 335024974 /nfs/dbraw/zinc/02/49/74/335024974.db2.gz PZOLCDSUBWSBDA-IBGZPJMESA-N 0 3 321.424 4.322 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029096 335031573 /nfs/dbraw/zinc/03/15/73/335031573.db2.gz JDCTXYZDLQXORS-LPHOPBHVSA-N 0 3 323.436 4.427 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029104 335031712 /nfs/dbraw/zinc/03/17/12/335031712.db2.gz JDCTXYZDLQXORS-VQIMIIECSA-N 0 3 323.436 4.427 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000287638599 335048965 /nfs/dbraw/zinc/04/89/65/335048965.db2.gz UMODYBNTADFHCG-LJQANCHMSA-N 0 3 312.388 4.026 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000272301673 130019373 /nfs/dbraw/zinc/01/93/73/130019373.db2.gz RIXCLKRLKRSQIC-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272322770 130020929 /nfs/dbraw/zinc/02/09/29/130020929.db2.gz WHITWUHKTVCPRH-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1OC ZINC000047771677 331639430 /nfs/dbraw/zinc/63/94/30/331639430.db2.gz ITNNBIDNWAVTGN-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1ccc2cc(CNCc3ccc(C#N)cc3)ccc2c1 ZINC000047798190 331646471 /nfs/dbraw/zinc/64/64/71/331646471.db2.gz FSGWAPKJKSSHCC-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN C=CCOc1ccc(CNC[C@@H](OC)C(C)(C)C)cc1Cl ZINC000465001439 332923447 /nfs/dbraw/zinc/92/34/47/332923447.db2.gz NVFIZPHMVXLTCQ-MRXNPFEDSA-N 0 3 311.853 4.056 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2ccccc2)cc1OCCCC#N ZINC000064613428 331832734 /nfs/dbraw/zinc/83/27/34/331832734.db2.gz NKATZQFDCDZVCO-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN Cc1cc(CNCc2ccc(C(C)(F)F)cc2)ccc1C#N ZINC000559306652 332021118 /nfs/dbraw/zinc/02/11/18/332021118.db2.gz IRIIRYBXDVDQRG-UHFFFAOYSA-N 0 3 300.352 4.268 20 30 DIEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000520043100 332030399 /nfs/dbraw/zinc/03/03/99/332030399.db2.gz ZQNOTHWUQVBIOO-IBGZPJMESA-N 0 3 314.473 4.028 20 30 DIEDHN CC(C)(C#N)CCCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000409447947 332033552 /nfs/dbraw/zinc/03/35/52/332033552.db2.gz KEBJKGUUPZLSNV-UHFFFAOYSA-N 0 3 318.436 4.389 20 30 DIEDHN C=CCCc1ccccc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000410348787 332114786 /nfs/dbraw/zinc/11/47/86/332114786.db2.gz AWHARQPNOCZPBR-UHFFFAOYSA-N 0 3 308.425 4.119 20 30 DIEDHN C=CCOc1ccc(CNCCc2nc3c(cccc3C)o2)cc1 ZINC000410349730 332115230 /nfs/dbraw/zinc/11/52/30/332115230.db2.gz BMTKHQQTJNYJPJ-UHFFFAOYSA-N 0 3 322.408 4.033 20 30 DIEDHN Cc1cccc2oc(CCN[C@H](C)c3ccc(C#N)cc3F)nc21 ZINC000410363385 332116362 /nfs/dbraw/zinc/11/63/62/332116362.db2.gz WJOWPKYDIHDUGS-CYBMUJFWSA-N 0 3 323.371 4.040 20 30 DIEDHN C=CCCC[C@H](C)N[C@@H](C)c1ncc(Br)s1 ZINC000133086156 332136514 /nfs/dbraw/zinc/13/65/14/332136514.db2.gz JVFOOKPOJXGUQD-UWVGGRQHSA-N 0 3 303.269 4.301 20 30 DIEDHN CCCC[C@@H](C)N(CCCC)CC(=O)Nc1sccc1C#N ZINC000559387410 332143264 /nfs/dbraw/zinc/14/32/64/332143264.db2.gz PMGSDYFNTZLFJQ-CQSZACIVSA-N 0 3 321.490 4.239 20 30 DIEDHN C=C(C)CN(C)Cc1cc(Br)cc2cccnc21 ZINC000181283702 332190184 /nfs/dbraw/zinc/19/01/84/332190184.db2.gz WVOMHRJGWJTNBO-UHFFFAOYSA-N 0 3 305.219 4.005 20 30 DIEDHN COc1cccc2c1CCC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000560268858 332325736 /nfs/dbraw/zinc/32/57/36/332325736.db2.gz QRKRMCDLUVSLNS-IBGZPJMESA-N 0 3 318.420 4.223 20 30 DIEDHN N#Cc1cccc(C2(N[C@@H]3CCc4ccc(Cl)cc43)CC2)c1 ZINC000560268626 332325744 /nfs/dbraw/zinc/32/57/44/332325744.db2.gz NXLHYAUVLIAZRB-GOSISDBHSA-N 0 3 308.812 4.478 20 30 DIEDHN COc1cccc2c1CCC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000560268859 332325769 /nfs/dbraw/zinc/32/57/69/332325769.db2.gz QRKRMCDLUVSLNS-LJQANCHMSA-N 0 3 318.420 4.223 20 30 DIEDHN N#Cc1cccc(C2(N[C@H]3CCc4cc(Cl)ccc43)CC2)c1 ZINC000560269123 332325816 /nfs/dbraw/zinc/32/58/16/332325816.db2.gz OQZYWYVDURJJKE-SFHVURJKSA-N 0 3 308.812 4.478 20 30 DIEDHN CCCCCN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000097489629 332359343 /nfs/dbraw/zinc/35/93/43/332359343.db2.gz OECOHNQXDWQXNZ-UHFFFAOYSA-N 0 3 321.852 4.051 20 30 DIEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)CCCSCC#N ZINC000121024096 332391209 /nfs/dbraw/zinc/39/12/09/332391209.db2.gz JLDMKYZLJPLKIC-ZDUSSCGKSA-N 0 3 311.520 4.215 20 30 DIEDHN COc1cc(OC)c([C@H](C)NCC(C)(C)CCC#N)cc1Cl ZINC000562038290 332535366 /nfs/dbraw/zinc/53/53/66/332535366.db2.gz VVTKCKAPTPQSPO-LBPRGKRZSA-N 0 3 324.852 4.338 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000569698356 332663463 /nfs/dbraw/zinc/66/34/63/332663463.db2.gz MTUNQUBHMKBXAD-HFTRVMKXSA-N 0 3 315.848 4.399 20 30 DIEDHN C=CCC[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000569948981 332695933 /nfs/dbraw/zinc/69/59/33/332695933.db2.gz BWPNFNCMACOHLM-ROUUACIJSA-N 0 3 316.420 4.319 20 30 DIEDHN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768488 333054249 /nfs/dbraw/zinc/05/42/49/333054249.db2.gz NRFGZCOLDOAWKG-INIZCTEOSA-N 0 3 324.424 4.227 20 30 DIEDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCCSCC#N)o1 ZINC000466742851 333082097 /nfs/dbraw/zinc/08/20/97/333082097.db2.gz HNYPNZUIOKFXND-HOCLYGCPSA-N 0 3 306.475 4.262 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000462754156 333109019 /nfs/dbraw/zinc/10/90/19/333109019.db2.gz HDRSOYQZUSRWCH-RTBURBONSA-N 0 3 315.457 4.079 20 30 DIEDHN C=CCOc1ccccc1CN[C@H]1C[C@H](OCC)C12CCCC2 ZINC000462754154 333109021 /nfs/dbraw/zinc/10/90/21/333109021.db2.gz HDRSOYQZUSRWCH-OALUTQOASA-N 0 3 315.457 4.079 20 30 DIEDHN COc1cc([C@H](C)NCCCC#N)ccc1OCCC(C)C ZINC000180361758 333161276 /nfs/dbraw/zinc/16/12/76/333161276.db2.gz UJPCPFVTQHUJRI-HNNXBMFYSA-N 0 3 304.434 4.074 20 30 DIEDHN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc(OCC#N)cc1 ZINC000180557010 333163124 /nfs/dbraw/zinc/16/31/24/333163124.db2.gz RRFXPNHUARZFEM-HNAYVOBHSA-N 0 3 306.409 4.236 20 30 DIEDHN C[C@@H]1CC[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555820 333163265 /nfs/dbraw/zinc/16/32/65/333163265.db2.gz BGRDLFAPXYRIJP-FOIQADDNSA-N 0 3 306.409 4.317 20 30 DIEDHN C[C@H](N[C@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642913 333171009 /nfs/dbraw/zinc/17/10/09/333171009.db2.gz SEZDQEMYEXEULO-KXBFYZLASA-N 0 3 322.408 4.153 20 30 DIEDHN Cc1cccnc1[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754576 333171965 /nfs/dbraw/zinc/17/19/65/333171965.db2.gz BAIMABUPCIGQLH-LPHOPBHVSA-N 0 3 323.440 4.340 20 30 DIEDHN C[C@@H](CN(C)Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000183971081 333190499 /nfs/dbraw/zinc/19/04/99/333190499.db2.gz SOEHJABZPFRUOL-AWEZNQCLSA-N 0 3 313.470 4.180 20 30 DIEDHN COc1ccc(O)c([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000186150759 333217506 /nfs/dbraw/zinc/21/75/06/333217506.db2.gz BNFJCYSFCVUUCF-KDOFPFPSSA-N 0 3 310.397 4.096 20 30 DIEDHN C=C(C)CN(C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000497262217 333228810 /nfs/dbraw/zinc/22/88/10/333228810.db2.gz ONVBLWHZUUDEDB-UHFFFAOYSA-N 0 3 310.441 4.285 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)s1 ZINC000497263127 333228837 /nfs/dbraw/zinc/22/88/37/333228837.db2.gz SADWPCNZZMOJOP-ZBEGNZNMSA-N 0 3 320.845 4.139 20 30 DIEDHN CCN(CCOc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593555 333267369 /nfs/dbraw/zinc/26/73/69/333267369.db2.gz DTYMVPGYMKFVGY-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN CC[C@@H]1C[C@]1(NCc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550157 333302344 /nfs/dbraw/zinc/30/23/44/333302344.db2.gz HHBSUIPLUDNYMV-YLJYHZDGSA-N 0 3 308.400 4.421 20 30 DIEDHN CCCNc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000193358333 333302376 /nfs/dbraw/zinc/30/23/76/333302376.db2.gz UMKXJEZZBXSFAL-INIZCTEOSA-N 0 3 323.440 4.262 20 30 DIEDHN C=CCSCCN[C@@H](C)c1ccc(F)cc1Br ZINC000221943114 333382975 /nfs/dbraw/zinc/38/29/75/333382975.db2.gz QAYSOWCEPARDCE-JTQLQIEISA-N 0 3 318.255 4.158 20 30 DIEDHN C=CCSCCN[C@H](C)c1cc(Br)ccc1F ZINC000221941008 333383000 /nfs/dbraw/zinc/38/30/00/333383000.db2.gz DQDZEQKPQMWCJW-SNVBAGLBSA-N 0 3 318.255 4.158 20 30 DIEDHN C=C(CN[C@@H](Cc1ccccn1)c1cccnc1)c1ccccc1 ZINC000338173494 333474024 /nfs/dbraw/zinc/47/40/24/333474024.db2.gz AXISUBOQLXYHJB-NRFANRHFSA-N 0 3 315.420 4.063 20 30 DIEDHN Cc1nc(-c2ccc([C@H](C)N[C@H]3CC[C@@H](C#N)C3)cc2)cs1 ZINC000339066532 333507890 /nfs/dbraw/zinc/50/78/90/333507890.db2.gz FSQZZYZAAVSWBV-QEORTHHSSA-N 0 3 311.454 4.461 20 30 DIEDHN C=C(CNCc1cccc(Br)c1)c1ccccc1 ZINC000110057652 333555014 /nfs/dbraw/zinc/55/50/14/333555014.db2.gz QPWROLKGEJSAIB-UHFFFAOYSA-N 0 3 302.215 4.252 20 30 DIEDHN C[C@@H](CCC#N)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411718000 333703523 /nfs/dbraw/zinc/70/35/23/333703523.db2.gz JWKVDYBKKJFCLI-XHDPSFHLSA-N 0 3 312.335 4.318 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(OC(F)(F)F)c1 ZINC000414159309 333914698 /nfs/dbraw/zinc/91/46/98/333914698.db2.gz BCBHKGHCWHRPJN-LLVKDONJSA-N 0 3 300.324 4.176 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000271685954 334025625 /nfs/dbraw/zinc/02/56/25/334025625.db2.gz PWDCWOOQXIAJFE-HNNXBMFYSA-N 0 3 308.425 4.347 20 30 DIEDHN Cc1cc([C@H](NCc2ccc(OCC#N)cc2)C2CC2)ccc1F ZINC000271800797 334027139 /nfs/dbraw/zinc/02/71/39/334027139.db2.gz XSWHYLBGOLTEHL-HXUWFJFHSA-N 0 3 324.399 4.277 20 30 DIEDHN CC(C)(NCc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000271846038 334027842 /nfs/dbraw/zinc/02/78/42/334027842.db2.gz WTMPIVUTFPLMIF-UHFFFAOYSA-N 0 3 314.816 4.267 20 30 DIEDHN C[C@H](NCCCC(C)(C)C#N)c1nc2ccccc2n1C(F)F ZINC000275426274 334070958 /nfs/dbraw/zinc/07/09/58/334070958.db2.gz GSBQVRVHBBBKRZ-LBPRGKRZSA-N 0 3 320.387 4.412 20 30 DIEDHN C[C@H](NCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000278878074 334102534 /nfs/dbraw/zinc/10/25/34/334102534.db2.gz HSBCJFFHULTOTL-VIFPVBQESA-N 0 3 305.369 4.142 20 30 DIEDHN C[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946161 334121604 /nfs/dbraw/zinc/12/16/04/334121604.db2.gz JGPLMFGIJFRBHY-XOBRGWDASA-N 0 3 324.399 4.456 20 30 DIEDHN N#CC1CCC(CNCc2nc(-c3ccccc3)cs2)CC1 ZINC000281460424 334126314 /nfs/dbraw/zinc/12/63/14/334126314.db2.gz AVLFSJOLEBONFS-UHFFFAOYSA-N 0 3 311.454 4.230 20 30 DIEDHN COc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)ccc1OCC(C)C ZINC000281878252 334129150 /nfs/dbraw/zinc/12/91/50/334129150.db2.gz FXDVBOAHXLWCBZ-ZOBUZTSGSA-N 0 3 316.445 4.073 20 30 DIEDHN N#CC1(CCCN2CCC[C@H]2c2cccc(F)c2)CCOCC1 ZINC000281901021 334129536 /nfs/dbraw/zinc/12/95/36/334129536.db2.gz FPYVNQYLOIMFHV-SFHVURJKSA-N 0 3 316.420 4.063 20 30 DIEDHN CC[C@@H]1c2ccsc2CCN1CCCC1(C#N)CCOCC1 ZINC000281942578 334129828 /nfs/dbraw/zinc/12/98/28/334129828.db2.gz IWZXSPXGRRXCMZ-MRXNPFEDSA-N 0 3 318.486 4.158 20 30 DIEDHN N#CC1CCC(CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000282518539 334135298 /nfs/dbraw/zinc/13/52/98/334135298.db2.gz ZLZQUBRZQIOFFE-LBXVMSDZSA-N 0 3 305.425 4.091 20 30 DIEDHN N#CC1CCC(CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000282518542 334135321 /nfs/dbraw/zinc/13/53/21/334135321.db2.gz ZLZQUBRZQIOFFE-UHYCVJNDSA-N 0 3 305.425 4.091 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562540 334199189 /nfs/dbraw/zinc/19/91/89/334199189.db2.gz MGGZYVUIHDSKOP-IVMMDQJWSA-N 0 3 306.862 4.199 20 30 DIEDHN N#CCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293941500 334203719 /nfs/dbraw/zinc/20/37/19/334203719.db2.gz YRYUHJWVHIADCF-IBGZPJMESA-N 0 3 308.425 4.350 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000296846321 334237259 /nfs/dbraw/zinc/23/72/59/334237259.db2.gz XPVBFGWRTPTVLB-AWEZNQCLSA-N 0 3 323.396 4.247 20 30 DIEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000299721966 334257580 /nfs/dbraw/zinc/25/75/80/334257580.db2.gz SNFBWQHBIOCWCW-HOTGVXAUSA-N 0 3 309.413 4.003 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000048367610 334279392 /nfs/dbraw/zinc/27/93/92/334279392.db2.gz PFKDQTSFEZOLGX-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(CCC)CCC ZINC000302816413 334290766 /nfs/dbraw/zinc/29/07/66/334290766.db2.gz VYYSUAGVNDNEFB-UHFFFAOYSA-N 0 3 306.475 4.025 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(SC(C)C)cc2)n1 ZINC000048789422 334299469 /nfs/dbraw/zinc/29/94/69/334299469.db2.gz XTFJJICIVVKXFP-AWEZNQCLSA-N 0 3 316.451 4.442 20 30 DIEDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000303809324 334328097 /nfs/dbraw/zinc/32/80/97/334328097.db2.gz YOXMEDPHJQNQFN-RDJZCZTQSA-N 0 3 308.400 4.384 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(COC)cc1 ZINC000535076243 334365251 /nfs/dbraw/zinc/36/52/51/334365251.db2.gz YNRPACFSVABMQJ-UHFFFAOYSA-N 0 3 308.425 4.117 20 30 DIEDHN C=CCC[C@H](C)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000443109311 338445085 /nfs/dbraw/zinc/44/50/85/338445085.db2.gz YGOQHCGFHMSNCX-FXAWDEMLSA-N 0 3 322.452 4.181 20 30 DIEDHN COc1cccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759525 334478125 /nfs/dbraw/zinc/47/81/25/334478125.db2.gz GPDCXKGWOCOJSO-JLTOFOAXSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760630 334478235 /nfs/dbraw/zinc/47/82/35/334478235.db2.gz MGZLJYDDOKAQFK-YJYMSZOUSA-N 0 3 321.380 4.195 20 30 DIEDHN C=CCC[C@H](NCC(=O)N1CCCC[C@H]1CC)c1ccccc1 ZINC000341937055 334494259 /nfs/dbraw/zinc/49/42/59/334494259.db2.gz BIPVRPUTYMHDJB-MOPGFXCFSA-N 0 3 314.473 4.075 20 30 DIEDHN C=CCC[C@@H](NCC(=O)N1CCCC[C@@H]1CC)c1ccccc1 ZINC000341937057 334494291 /nfs/dbraw/zinc/49/42/91/334494291.db2.gz BIPVRPUTYMHDJB-RBUKOAKNSA-N 0 3 314.473 4.075 20 30 DIEDHN C=CCC[C@H](NCc1cncn1C)c1ccc(C(F)(F)F)cc1 ZINC000342188086 334515677 /nfs/dbraw/zinc/51/56/77/334515677.db2.gz BTMMSBHSTHMYTQ-INIZCTEOSA-N 0 3 323.362 4.236 20 30 DIEDHN C=CCC[C@H](NCCn1cccn1)c1ccc(C(F)(F)F)cc1 ZINC000342188079 334515766 /nfs/dbraw/zinc/51/57/66/334515766.db2.gz BRROYVWSTHYSOJ-INIZCTEOSA-N 0 3 323.362 4.199 20 30 DIEDHN C=CCC[C@H](NCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000342190837 334516025 /nfs/dbraw/zinc/51/60/25/334516025.db2.gz JCNKCZFWFUZUSP-INIZCTEOSA-N 0 3 323.362 4.236 20 30 DIEDHN C=CCC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342798186 334572689 /nfs/dbraw/zinc/57/26/89/334572689.db2.gz RYZVQGGPNFZNFF-LJQANCHMSA-N 0 3 316.408 4.003 20 30 DIEDHN C=CCC[C@H](NC(=O)Nc1cccc(CNC)c1)c1ccccc1 ZINC000415944449 334634929 /nfs/dbraw/zinc/63/49/29/334634929.db2.gz PFPCTXBXINKAMQ-IBGZPJMESA-N 0 3 323.440 4.235 20 30 DIEDHN Cc1cccc2nc(C3CCN([C@H]4CC[C@H](C#N)C4)CC3)oc21 ZINC000328845738 334759739 /nfs/dbraw/zinc/75/97/39/334759739.db2.gz QHEFGESFQMZQFT-HOCLYGCPSA-N 0 3 309.413 4.008 20 30 DIEDHN CC(C)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375927 334765286 /nfs/dbraw/zinc/76/52/86/334765286.db2.gz ZYNSAWROFHAEIP-QUCCMNQESA-N 0 3 323.415 4.457 20 30 DIEDHN CS[C@H]1CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000425338994 334801379 /nfs/dbraw/zinc/80/13/79/334801379.db2.gz BXIJQNSRNDELNQ-MOPGFXCFSA-N 0 3 308.450 4.209 20 30 DIEDHN Cc1cc(CNC[C@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000444001271 338466515 /nfs/dbraw/zinc/46/65/15/338466515.db2.gz AZYNJALVPJPPCR-QGZVFWFLSA-N 0 3 318.342 4.302 20 30 DIEDHN N#CCCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000344332263 335241708 /nfs/dbraw/zinc/24/17/08/335241708.db2.gz YSCLNLPVHIXIJF-UHFFFAOYSA-N 0 3 314.816 4.312 20 30 DIEDHN CCO[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339303 335242491 /nfs/dbraw/zinc/24/24/91/335242491.db2.gz WSBNQTVTIBHPAK-GUDVDZBRSA-N 0 3 312.457 4.359 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000314648456 335647987 /nfs/dbraw/zinc/64/79/87/335647987.db2.gz GCBYUFZCUNDEJN-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000093492246 335653007 /nfs/dbraw/zinc/65/30/07/335653007.db2.gz JTFWVZSPNNNWPX-JTQLQIEISA-N 0 3 310.344 4.489 20 30 DIEDHN CCC(C)(C)[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332180168 336161871 /nfs/dbraw/zinc/16/18/71/336161871.db2.gz VJWSXVRDQFLQLA-MRXNPFEDSA-N 0 3 324.428 4.009 20 30 DIEDHN COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988718 336286542 /nfs/dbraw/zinc/28/65/42/336286542.db2.gz USVSSVCNUYAUNQ-XOBRGWDASA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301323074 336300566 /nfs/dbraw/zinc/30/05/66/336300566.db2.gz VFXKCIBGGMJMPF-HNNXBMFYSA-N 0 3 323.415 4.335 20 30 DIEDHN C=CCC[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106389 336361032 /nfs/dbraw/zinc/36/10/32/336361032.db2.gz YDRSDOBNDCGMQT-DLBZAZTESA-N 0 3 314.429 4.307 20 30 DIEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000514129702 336374859 /nfs/dbraw/zinc/37/48/59/336374859.db2.gz AHFAWTDPXGLNBC-INIZCTEOSA-N 0 3 316.395 4.473 20 30 DIEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514638490 336387287 /nfs/dbraw/zinc/38/72/87/336387287.db2.gz ARDSQZYKKSRPOL-ZDUSSCGKSA-N 0 3 316.392 4.150 20 30 DIEDHN C=CC1CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000353583434 336426810 /nfs/dbraw/zinc/42/68/10/336426810.db2.gz BGBYHWBZZZYYKL-UHFFFAOYSA-N 0 3 313.420 4.026 20 30 DIEDHN CCC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(OC)cc1 ZINC000353621650 336429443 /nfs/dbraw/zinc/42/94/43/336429443.db2.gz LABOIEHVEBTATK-IBGZPJMESA-N 0 3 324.424 4.206 20 30 DIEDHN Cc1cccc2ncc(CN[C@H](CCCC#N)c3ccccc3)n21 ZINC000353904404 336447167 /nfs/dbraw/zinc/44/71/67/336447167.db2.gz YASXLSCASKMFIC-LJQANCHMSA-N 0 3 318.424 4.168 20 30 DIEDHN C=CCSCCN[C@H](CC)c1ccccc1OC(F)F ZINC000358028808 336607383 /nfs/dbraw/zinc/60/73/83/336607383.db2.gz URLZZYJTEQIUDO-CYBMUJFWSA-N 0 3 301.402 4.248 20 30 DIEDHN C=CCCOCCN[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358361237 336626390 /nfs/dbraw/zinc/62/63/90/336626390.db2.gz DEHSHIZUUBQCQE-INIZCTEOSA-N 0 3 309.837 4.044 20 30 DIEDHN C=CCCOCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358378103 336627189 /nfs/dbraw/zinc/62/71/89/336627189.db2.gz UTZXVYYWAQULMA-LBPRGKRZSA-N 0 3 322.499 4.423 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CCO)c1ccccc1 ZINC000360644483 336717049 /nfs/dbraw/zinc/71/70/49/336717049.db2.gz ALMHUJDSHASUPO-NHCUHLMSSA-N 0 3 320.436 4.039 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(C2CCC2)s1 ZINC000418149441 336898107 /nfs/dbraw/zinc/89/81/07/336898107.db2.gz UXPCRXNZWPABKV-GOSISDBHSA-N 0 3 323.465 4.449 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000582389754 336953459 /nfs/dbraw/zinc/95/34/59/336953459.db2.gz BAGOPIJFMHJYNR-HKBOAZHASA-N 0 3 318.420 4.055 20 30 DIEDHN Cc1cc(C)c(CN2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000374291449 336986133 /nfs/dbraw/zinc/98/61/33/336986133.db2.gz KDJYRCVURKMZNX-UHFFFAOYSA-N 0 3 319.452 4.064 20 30 DIEDHN Cc1cccc([C@H](C)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376734971 337040138 /nfs/dbraw/zinc/04/01/38/337040138.db2.gz CZSNKWOJUHQZCR-KRWDZBQOSA-N 0 3 305.425 4.008 20 30 DIEDHN Cc1cccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508076 337142254 /nfs/dbraw/zinc/14/22/54/337142254.db2.gz VBCXGJHNDIZATP-HUUCEWRRSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccsc1 ZINC000177823064 337157595 /nfs/dbraw/zinc/15/75/95/337157595.db2.gz CDVDDNJPTPZMBL-CYBMUJFWSA-N 0 3 302.468 4.204 20 30 DIEDHN CC(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191186788 337292868 /nfs/dbraw/zinc/29/28/68/337292868.db2.gz PIGTWBGAUGJUQU-GOSISDBHSA-N 0 3 315.848 4.427 20 30 DIEDHN C=CCC1(C(=O)Nc2cc(CN3CCCC3)ccc2C)CCC1 ZINC000191928938 337301248 /nfs/dbraw/zinc/30/12/48/337301248.db2.gz VKWLTQXAIDLYKX-UHFFFAOYSA-N 0 3 312.457 4.276 20 30 DIEDHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903466 337396137 /nfs/dbraw/zinc/39/61/37/337396137.db2.gz CZFUPAPNCBDTNI-RDJZCZTQSA-N 0 3 324.428 4.009 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000245948570 337499578 /nfs/dbraw/zinc/49/95/78/337499578.db2.gz WDAZUMWUAROFIM-CWFSZBLJSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000248887851 337568294 /nfs/dbraw/zinc/56/82/94/337568294.db2.gz SIEZRGWLGJIYRT-RZQQEMMASA-N 0 3 305.425 4.482 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431634 337644261 /nfs/dbraw/zinc/64/42/61/337644261.db2.gz DFQYMKIWKXQNHI-MAUKXSAKSA-N 0 3 309.409 4.119 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416489 337644315 /nfs/dbraw/zinc/64/43/15/337644315.db2.gz BIJXJCKLGFSKFE-APWZRJJASA-N 0 3 321.420 4.263 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453130 337644466 /nfs/dbraw/zinc/64/44/66/337644466.db2.gz GKEHJCOMHOHMLB-APWZRJJASA-N 0 3 323.436 4.427 20 30 DIEDHN C=CC[C@@H](C(=O)Nc1ccccc1CCN(C)C)c1ccccc1 ZINC000275583381 337662569 /nfs/dbraw/zinc/66/25/69/337662569.db2.gz DVAMBVRKUMHPJW-LJQANCHMSA-N 0 3 322.452 4.089 20 30 DIEDHN C=CCC[C@@H](NCCc1ccc(NC(C)=O)cc1)c1ccco1 ZINC000276500330 337664867 /nfs/dbraw/zinc/66/48/67/337664867.db2.gz WWRGMVWYCFOZIL-GOSISDBHSA-N 0 3 312.413 4.078 20 30 DIEDHN C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787942 337665626 /nfs/dbraw/zinc/66/56/26/337665626.db2.gz RZWAXDWAMKNMHW-ZIAGYGMSSA-N 0 3 315.417 4.141 20 30 DIEDHN C=CCCOCCN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536838721 337736117 /nfs/dbraw/zinc/73/61/17/337736117.db2.gz KXAVGEKKNFSQPY-HNNXBMFYSA-N 0 3 300.229 4.163 20 30 DIEDHN N#CCc1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527909014 337770528 /nfs/dbraw/zinc/77/05/28/337770528.db2.gz HUZYHBVVFDKIPW-SFHVURJKSA-N 0 3 314.791 4.322 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(SCC(F)F)cc1 ZINC000424321645 337820508 /nfs/dbraw/zinc/82/05/08/337820508.db2.gz HKNRVYOAPVMDGK-SGMGOOAPSA-N 0 3 310.413 4.387 20 30 DIEDHN C[C@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326008 337821238 /nfs/dbraw/zinc/82/12/38/337821238.db2.gz LPUFPHZCYKOXKJ-OHTBPHCPSA-N 0 3 319.246 4.279 20 30 DIEDHN COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335571 337822636 /nfs/dbraw/zinc/82/26/36/337822636.db2.gz XAKRQYPXKHVNGW-DSKINZAPSA-N 0 3 320.436 4.261 20 30 DIEDHN C=CCC[C@H](NC(=O)Nc1cc(C)cc(CN)c1)c1ccccc1 ZINC000424437836 337833211 /nfs/dbraw/zinc/83/32/11/337833211.db2.gz OWMPLMUDPFZIJI-IBGZPJMESA-N 0 3 323.440 4.283 20 30 DIEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000537869395 337963939 /nfs/dbraw/zinc/96/39/39/337963939.db2.gz PLOJPYXXZOLIMH-PZJWPPBQSA-N 0 3 323.436 4.119 20 30 DIEDHN CCN(CC#Cc1ccc(F)cc1)[C@H](C)Cc1ccsc1 ZINC000426459516 338032873 /nfs/dbraw/zinc/03/28/73/338032873.db2.gz KTTSKCYGAJMHQY-OAHLLOKOSA-N 0 3 301.430 4.192 20 30 DIEDHN CC[C@H]1CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430196490 338100759 /nfs/dbraw/zinc/10/07/59/338100759.db2.gz RMEBODOECNIWJU-IBGZPJMESA-N 0 3 306.409 4.122 20 30 DIEDHN Cc1cc(Cl)c2c(c1)[C@@H](NCC1(CC#N)CC1)CCCO2 ZINC000430739398 338112953 /nfs/dbraw/zinc/11/29/53/338112953.db2.gz DCTIRCAAZADMFN-HNNXBMFYSA-N 0 3 304.821 4.146 20 30 DIEDHN Cc1cc(Br)cc2c1[C@H](NCC1(CC#N)CC1)CC2 ZINC000430760877 338114175 /nfs/dbraw/zinc/11/41/75/338114175.db2.gz KHMWTLRTKWQVIR-CQSZACIVSA-N 0 3 319.246 4.028 20 30 DIEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881789 338117953 /nfs/dbraw/zinc/11/79/53/338117953.db2.gz FKOPLXIXTSCZHF-LSDHHAIUSA-N 0 3 308.347 4.235 20 30 DIEDHN N#CCCC[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000433013897 338176364 /nfs/dbraw/zinc/17/63/64/338176364.db2.gz PWUQVWWQXOHFQV-IBGZPJMESA-N 0 3 307.372 4.222 20 30 DIEDHN CC(=O)Nc1cccc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433042108 338177913 /nfs/dbraw/zinc/17/79/13/338177913.db2.gz WXLOSKBUCGKUFI-HXUWFJFHSA-N 0 3 321.424 4.170 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000433230155 338186753 /nfs/dbraw/zinc/18/67/53/338186753.db2.gz DVOIMAUUEQSXHC-WOJBJXKFSA-N 0 3 318.420 4.123 20 30 DIEDHN CC(C)(C)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433229621 338186772 /nfs/dbraw/zinc/18/67/72/338186772.db2.gz DPFVJABXAYONBX-MRXNPFEDSA-N 0 3 300.446 4.090 20 30 DIEDHN C[C@@H](c1ccco1)N(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433302496 338190445 /nfs/dbraw/zinc/19/04/45/338190445.db2.gz IPPBNWAUAPMYLS-RDJZCZTQSA-N 0 3 322.408 4.104 20 30 DIEDHN Cc1cccc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)c1C ZINC000433348592 338193598 /nfs/dbraw/zinc/19/35/98/338193598.db2.gz APRKYZSGVDWHFX-MJGOQNOKSA-N 0 3 320.436 4.253 20 30 DIEDHN CCCC[C@@H]1CCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433352223 338193760 /nfs/dbraw/zinc/19/37/60/338193760.db2.gz LYWLRJOREUSFMB-QYZOEREBSA-N 0 3 312.457 4.234 20 30 DIEDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433376186 338194224 /nfs/dbraw/zinc/19/42/24/338194224.db2.gz RQPSAWFRMFZUHC-ABSDTBQOSA-N 0 3 320.436 4.067 20 30 DIEDHN N#CCSCCCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000434907997 338227914 /nfs/dbraw/zinc/22/79/14/338227914.db2.gz VPRMWFDKAPOOAO-UHFFFAOYSA-N 0 3 324.440 4.356 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)oc2ccccc21 ZINC000435738268 338247125 /nfs/dbraw/zinc/24/71/25/338247125.db2.gz QERHRTBCLFLLMY-MLGOLLRUSA-N 0 3 305.805 4.157 20 30 DIEDHN C[C@@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000436307764 338268135 /nfs/dbraw/zinc/26/81/35/338268135.db2.gz LDUOJGNVJZDEIV-BPLDGKMQSA-N 0 3 312.363 4.433 20 30 DIEDHN C[C@H](N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000436307765 338268212 /nfs/dbraw/zinc/26/82/12/338268212.db2.gz LDUOJGNVJZDEIV-QEJZJMRPSA-N 0 3 312.363 4.433 20 30 DIEDHN CC(C)N(C)c1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000437101272 338301026 /nfs/dbraw/zinc/30/10/26/338301026.db2.gz YUHKHCSCJXAQED-MRXNPFEDSA-N 0 3 307.441 4.254 20 30 DIEDHN CC(C)N(C)c1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000437101996 338301032 /nfs/dbraw/zinc/30/10/32/338301032.db2.gz FJDCVCUSLOGDFO-INIZCTEOSA-N 0 3 307.441 4.254 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000440613344 338392412 /nfs/dbraw/zinc/39/24/12/338392412.db2.gz NVLMCTWOOAPPRY-GFCCVEGCSA-N 0 3 323.421 4.027 20 30 DIEDHN C=CCC[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440626471 338393059 /nfs/dbraw/zinc/39/30/59/338393059.db2.gz RBTJBGCPKMDAOT-CQSZACIVSA-N 0 3 309.335 4.226 20 30 DIEDHN COc1cc(CN[C@H](c2ccc(F)cc2)C2CCC2)ccc1C#N ZINC000440833539 338398393 /nfs/dbraw/zinc/39/83/93/338398393.db2.gz SSRJRODIQSZBNU-FQEVSTJZSA-N 0 3 324.399 4.337 20 30 DIEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ccccc1Br ZINC000442101191 338421312 /nfs/dbraw/zinc/42/13/12/338421312.db2.gz SYDIEVNIAJIMKV-IYXRBSQSSA-N 0 3 321.262 4.430 20 30 DIEDHN N#Cc1ccccc1-c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442844181 338434324 /nfs/dbraw/zinc/43/43/24/338434324.db2.gz FORXYQNCUUGABY-QFBILLFUSA-N 0 3 301.393 4.007 20 30 DIEDHN CC[C@@H](NCCCC#N)c1ccc(Br)cc1Cl ZINC000446884529 338539494 /nfs/dbraw/zinc/53/94/94/338539494.db2.gz PXPZMHOZQKFOLL-CYBMUJFWSA-N 0 3 315.642 4.447 20 30 DIEDHN CC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000447537232 338555233 /nfs/dbraw/zinc/55/52/33/338555233.db2.gz UFCQKBGMYAGPPH-QZTJIDSGSA-N 0 3 310.445 4.101 20 30 DIEDHN CCO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549537 338556223 /nfs/dbraw/zinc/55/62/23/338556223.db2.gz FGORLGDBLNJCBD-KUHUBIRLSA-N 0 3 312.388 4.126 20 30 DIEDHN CC[C@H](NC1(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000447585799 338559407 /nfs/dbraw/zinc/55/94/07/338559407.db2.gz LOCMROWLTKLZQS-IBGZPJMESA-N 0 3 306.409 4.297 20 30 DIEDHN C=CCCCC[C@@H](C)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000449224103 338604022 /nfs/dbraw/zinc/60/40/22/338604022.db2.gz ZSXIRLAVYWMDDH-NVXWUHKLSA-N 0 3 300.450 4.151 20 30 DIEDHN CC1(F)CC(NCc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000449369060 338618322 /nfs/dbraw/zinc/61/83/22/338618322.db2.gz AGAIJDYSKLRSQA-UHFFFAOYSA-N 0 3 324.399 4.117 20 30 DIEDHN COCc1ccccc1/C=C(\C)CNCc1ccc(C#N)c(F)c1 ZINC000449736198 338649316 /nfs/dbraw/zinc/64/93/16/338649316.db2.gz LQOMSASETCCRDN-OQLLNIDSSA-N 0 3 324.399 4.037 20 30 DIEDHN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NCC1(C#N)CCC1 ZINC000450730163 338702211 /nfs/dbraw/zinc/70/22/11/338702211.db2.gz VPKBSIJHKOJFDG-STQMWFEESA-N 0 3 310.363 4.481 20 30 DIEDHN CC1(C#N)CCC(NC2(c3ccc(F)cc3F)CCC2)CC1 ZINC000453176359 338803067 /nfs/dbraw/zinc/80/30/67/338803067.db2.gz DVVFXECRKLQVQQ-UHFFFAOYSA-N 0 3 304.384 4.406 20 30 DIEDHN COc1cc(CN[C@H]2CC[C@H](C)c3ccsc32)ccc1C#N ZINC000453247839 338813947 /nfs/dbraw/zinc/81/39/47/338813947.db2.gz IDCKVCCYJIXORL-LRDDRELGSA-N 0 3 312.438 4.357 20 30 DIEDHN C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc2O1 ZINC000453273349 338817167 /nfs/dbraw/zinc/81/71/67/338817167.db2.gz ULXYZYUJECAWED-UPRAQXHNSA-N 0 3 304.393 4.047 20 30 DIEDHN C=CCCCCCNc1ccccc1CN1CCC(CO)CC1 ZINC000195448210 338900175 /nfs/dbraw/zinc/90/01/75/338900175.db2.gz UJRCDNUNQUCPAI-UHFFFAOYSA-N 0 3 316.489 4.049 20 30 DIEDHN N#CCCCNC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459481971 339031959 /nfs/dbraw/zinc/03/19/59/339031959.db2.gz NNYXPXBCZBYXJP-RMKNXTFCSA-N 0 3 306.409 4.172 20 30 DIEDHN CCN(CC)[C@H](CNc1c(Cl)cccc1C#N)c1ccco1 ZINC000462376439 339077330 /nfs/dbraw/zinc/07/73/30/339077330.db2.gz JNVQFHTWWRFLPG-OAHLLOKOSA-N 0 3 317.820 4.300 20 30 DIEDHN Cc1ccc([C@H](CNc2c(Cl)cccc2C#N)N(C)C)cc1 ZINC000462375274 339077397 /nfs/dbraw/zinc/07/73/97/339077397.db2.gz KSGFVXYNPUTSEZ-KRWDZBQOSA-N 0 3 313.832 4.235 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H](C)Oc1ccc(C)cc1 ZINC000462732906 339085282 /nfs/dbraw/zinc/08/52/82/339085282.db2.gz ATOATDZJDGIPPH-KRWDZBQOSA-N 0 3 311.425 4.117 20 30 DIEDHN COc1ccccc1[C@H](CC(C)C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000463239621 339111275 /nfs/dbraw/zinc/11/12/75/339111275.db2.gz YGQLRRVNTDQMHW-RYRKJORJSA-N 0 3 300.446 4.454 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)CC(F)(F)F)cc1Cl ZINC000463708875 339124020 /nfs/dbraw/zinc/12/40/20/339124020.db2.gz JMSSVYUVGHWFOM-SNVBAGLBSA-N 0 3 307.743 4.335 20 30 DIEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464471818 339142927 /nfs/dbraw/zinc/14/29/27/339142927.db2.gz NFGKMIZRKQLBMW-LBPRGKRZSA-N 0 3 324.689 4.244 20 30 DIEDHN C[C@H]1C[C@@H](c2ccccc2F)N(CCOc2ccc(C#N)cc2)C1 ZINC000464743603 339150750 /nfs/dbraw/zinc/15/07/50/339150750.db2.gz ZJPXLBULRZZGPX-YWZLYKJASA-N 0 3 324.399 4.159 20 30 DIEDHN N#Cc1cccc(CCNCc2ccc(Oc3ccccc3)o2)c1 ZINC000466426630 339204507 /nfs/dbraw/zinc/20/45/07/339204507.db2.gz VTNILKQRNLRLCK-UHFFFAOYSA-N 0 3 318.376 4.276 20 30 DIEDHN C[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191910 339227704 /nfs/dbraw/zinc/22/77/04/339227704.db2.gz RMZIJBZTJIMRMS-GDBMZVCRSA-N 0 3 316.420 4.230 20 30 DIEDHN C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411044 339237145 /nfs/dbraw/zinc/23/71/45/339237145.db2.gz LYGOGGZDRVYJBY-IUODEOHRSA-N 0 3 318.852 4.234 20 30 DIEDHN CC(C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467681229 339244393 /nfs/dbraw/zinc/24/43/93/339244393.db2.gz PRTAYRCFGBHVMU-WBMJQRKESA-N 0 3 304.821 4.189 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H]2Cc2cccc(F)c2)ccc1F ZINC000468272711 339258457 /nfs/dbraw/zinc/25/84/57/339258457.db2.gz OHRZVDQGKKHOSI-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN CC(C)N(Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468282470 339258858 /nfs/dbraw/zinc/25/88/58/339258858.db2.gz QQLDGFWCRAGRQM-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468289145 339259059 /nfs/dbraw/zinc/25/90/59/339259059.db2.gz KUIKSPIORBCOPB-UHFFFAOYSA-N 0 3 321.399 4.227 20 30 DIEDHN CCC[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000469442734 339289374 /nfs/dbraw/zinc/28/93/74/339289374.db2.gz MQZQXBFWGLRAFY-VQTJNVASSA-N 0 3 320.436 4.417 20 30 DIEDHN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(C)C#N)cc1 ZINC000469698144 339295763 /nfs/dbraw/zinc/29/57/63/339295763.db2.gz OJVHBNDPOGAPPN-GJZGRUSLSA-N 0 3 322.408 4.041 20 30 DIEDHN C=CCOCCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000470720933 339326046 /nfs/dbraw/zinc/32/60/46/339326046.db2.gz APFTVRODKZEJOC-INIZCTEOSA-N 0 3 324.262 4.179 20 30 DIEDHN C=CCOCCCN1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000470790049 339328230 /nfs/dbraw/zinc/32/82/30/339328230.db2.gz PDXTVDLLLHUVMT-UHFFFAOYSA-N 0 3 310.441 4.158 20 30 DIEDHN C=CCCCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000472059423 339361520 /nfs/dbraw/zinc/36/15/20/339361520.db2.gz VWFGSCMVBMIQKI-UHFFFAOYSA-N 0 3 311.351 4.038 20 30 DIEDHN CC(C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000472407142 339371539 /nfs/dbraw/zinc/37/15/39/339371539.db2.gz JPANYSJGKQIJTQ-LRDDRELGSA-N 0 3 304.821 4.237 20 30 DIEDHN CC(C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000472407145 339371550 /nfs/dbraw/zinc/37/15/50/339371550.db2.gz JPANYSJGKQIJTQ-WBMJQRKESA-N 0 3 304.821 4.237 20 30 DIEDHN C=CCC[C@H](O)CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000472580556 339374244 /nfs/dbraw/zinc/37/42/44/339374244.db2.gz KYNGNNMMPYOTGP-SFTDATJTSA-N 0 3 307.437 4.113 20 30 DIEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744734 339376763 /nfs/dbraw/zinc/37/67/63/339376763.db2.gz DBZLJBRCUWIMMR-SWLSCSKDSA-N 0 3 301.352 4.025 20 30 DIEDHN CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000473471757 339385913 /nfs/dbraw/zinc/38/59/13/339385913.db2.gz OGGDKJQJCSBCGX-BLLLJJGKSA-N 0 3 306.837 4.435 20 30 DIEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473520435 339386732 /nfs/dbraw/zinc/38/67/32/339386732.db2.gz PIDCHNXQINJMQU-IUODEOHRSA-N 0 3 324.346 4.309 20 30 DIEDHN CC1(c2ccc(Cl)cc2)CCN(Cc2ccc(C#N)o2)CC1 ZINC000475302030 339445192 /nfs/dbraw/zinc/44/51/92/339445192.db2.gz XZHXPOKPWFUWCE-UHFFFAOYSA-N 0 3 314.816 4.358 20 30 DIEDHN C[C@@H](NCCOc1ccccc1C#N)c1cc2cccc(F)c2o1 ZINC000475702371 339459862 /nfs/dbraw/zinc/45/98/62/339459862.db2.gz NJJJHMKVIJJRTD-CYBMUJFWSA-N 0 3 324.355 4.173 20 30 DIEDHN C[C@H](CNCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000479585998 339542430 /nfs/dbraw/zinc/54/24/30/339542430.db2.gz BHHQMAKPZOAYTJ-SSDOTTSWSA-N 0 3 303.221 4.133 20 30 DIEDHN Cn1cc(CNC(C)(C)c2ccc(C(C)(C)C)cc2)cc1C#N ZINC000480263040 339566023 /nfs/dbraw/zinc/56/60/23/339566023.db2.gz WNTNGHGDOUYXKM-UHFFFAOYSA-N 0 3 309.457 4.219 20 30 DIEDHN C[C@@H](N[C@@H](C)CCCC(F)(F)F)c1ccc(C#N)cc1F ZINC000480656762 339580232 /nfs/dbraw/zinc/58/02/32/339580232.db2.gz CLKKNTMVYDXVHM-WDEREUQCSA-N 0 3 302.315 4.469 20 30 DIEDHN C=C(C)[C@H](NCCc1csc(C)n1)c1ccc(F)c(F)c1 ZINC000481618652 339607751 /nfs/dbraw/zinc/60/77/51/339607751.db2.gz GCVCZMVQGJYQFE-INIZCTEOSA-N 0 3 308.397 4.179 20 30 DIEDHN COc1cc(C)cc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481665208 339609137 /nfs/dbraw/zinc/60/91/37/339609137.db2.gz XRJGRPVYHZDJMK-NRFANRHFSA-N 0 3 320.436 4.433 20 30 DIEDHN C=CCN(CC=C)Cc1ccc(Br)c2cccnc12 ZINC000491935907 339887329 /nfs/dbraw/zinc/88/73/29/339887329.db2.gz CVRZHOACCYTKIL-UHFFFAOYSA-N 0 3 317.230 4.171 20 30 DIEDHN N#CCC[C@H](NC1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000494602134 339954755 /nfs/dbraw/zinc/95/47/55/339954755.db2.gz HZIHELPWJKZZNU-CBNMVNINSA-N 0 3 320.436 4.369 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc(C#N)cs1 ZINC000497100408 340020237 /nfs/dbraw/zinc/02/02/37/340020237.db2.gz SXXWPPNAOINQAP-ZBEGNZNMSA-N 0 3 320.845 4.139 20 30 DIEDHN Cc1cccc([C@H]2CCCN2CCOc2ccccc2C#N)c1 ZINC000498794517 340023348 /nfs/dbraw/zinc/02/33/48/340023348.db2.gz YHXHXZZICFWNDI-LJQANCHMSA-N 0 3 306.409 4.083 20 30 DIEDHN CCCN(CCc1cccc(F)c1)Cc1ccc(C#N)cc1F ZINC000500238697 340053807 /nfs/dbraw/zinc/05/38/07/340053807.db2.gz VLTZZFAFPAJVAX-UHFFFAOYSA-N 0 3 314.379 4.291 20 30 DIEDHN CC[C@H]1C[C@@]1(NCc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532831 340061618 /nfs/dbraw/zinc/06/16/18/340061618.db2.gz LIYBIWDKTZNIHE-RXVVDRJESA-N 0 3 320.436 4.290 20 30 DIEDHN CCOc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502504744 340106313 /nfs/dbraw/zinc/10/63/13/340106313.db2.gz MQTQECIPTUQORA-UHFFFAOYSA-N 0 3 318.420 4.246 20 30 DIEDHN CC[C@H]1C[C@]1(NCc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512782 340106632 /nfs/dbraw/zinc/10/66/32/340106632.db2.gz SEHMRDZVUYUWDW-PZJWPPBQSA-N 0 3 304.437 4.476 20 30 DIEDHN CC[C@H]1C[C@@]1(NCc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598027 340108878 /nfs/dbraw/zinc/10/88/78/340108878.db2.gz YNHCEICDNINAEV-PXNSSMCTSA-N 0 3 308.400 4.421 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000505858638 340179845 /nfs/dbraw/zinc/17/98/45/340179845.db2.gz HSDHLZKCSIJSGA-UHFFFAOYSA-N 0 3 316.470 4.429 20 30 DIEDHN Cc1cc(OCCN2CCC(C)(C#N)CC2)ccc1C(C)C ZINC000506042577 340184048 /nfs/dbraw/zinc/18/40/48/340184048.db2.gz VKZAMQWUDKXUIY-UHFFFAOYSA-N 0 3 300.446 4.123 20 30 DIEDHN Cc1ccc(OCCCN(C)Cc2ccc(C#N)cc2)cc1C ZINC000506120686 340186035 /nfs/dbraw/zinc/18/60/35/340186035.db2.gz BXUVHLRSJRGAIP-UHFFFAOYSA-N 0 3 308.425 4.076 20 30 DIEDHN N#Cc1cccc(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000507181629 340211555 /nfs/dbraw/zinc/21/15/55/340211555.db2.gz LFUCSPGNGYNXOF-UHFFFAOYSA-N 0 3 308.400 4.152 20 30 DIEDHN CCN(Cc1ccc2c(c1)CCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606753 340247732 /nfs/dbraw/zinc/24/77/32/340247732.db2.gz ZKHZLVMERSLFKM-HNNXBMFYSA-N 0 3 306.409 4.076 20 30 DIEDHN CCN(CC1=Cc2ccccc2OC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606782 340247813 /nfs/dbraw/zinc/24/78/13/340247813.db2.gz ZPIUEXALJSLDRO-INIZCTEOSA-N 0 3 318.420 4.417 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(Cc2cccnc2)CC1 ZINC000508635218 340249099 /nfs/dbraw/zinc/24/90/99/340249099.db2.gz BTROKIXGMPJUDK-UHFFFAOYSA-N 0 3 322.452 4.101 20 30 DIEDHN CC[C@@H](c1ccccc1)N(CC)Cc1cnc2ccc(C#N)cn12 ZINC000508674195 340250196 /nfs/dbraw/zinc/25/01/96/340250196.db2.gz YDFMOVJEMYRJNN-IBGZPJMESA-N 0 3 318.424 4.179 20 30 DIEDHN N#Cc1ccc(OC2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000509055081 340259782 /nfs/dbraw/zinc/25/97/82/340259782.db2.gz KYJJXNPBJNYCPF-DAXSKMNVSA-N 0 3 318.420 4.115 20 30 DIEDHN COCc1ccccc1/C=C(/C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000509796912 340279322 /nfs/dbraw/zinc/27/93/22/340279322.db2.gz DUFDAORHXBFKEZ-TXQCQQFXSA-N 0 3 320.436 4.459 20 30 DIEDHN CCCc1ccc([C@H](NC(=O)C(C)C#N)c2cccs2)cc1 ZINC000510360523 340296840 /nfs/dbraw/zinc/29/68/40/340296840.db2.gz HGKULQNVZGUZRY-DYVFJYSZSA-N 0 3 312.438 4.066 20 30 DIEDHN Cc1cc(C(C)(C)C)cc(C)c1CN1CCC(F)(C#N)CC1 ZINC000510949103 340315890 /nfs/dbraw/zinc/31/58/90/340315890.db2.gz GUJORHGKYPMENJ-UHFFFAOYSA-N 0 3 302.437 4.429 20 30 DIEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000511037016 340318993 /nfs/dbraw/zinc/31/89/93/340318993.db2.gz WKSTVEAEBHXBDG-XIKOKIGWSA-N 0 3 310.372 4.044 20 30 DIEDHN CCC(CC)[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279820 340355241 /nfs/dbraw/zinc/35/52/41/340355241.db2.gz NHZXMUJEVNKPDE-AXHNFQJDSA-N 0 3 318.436 4.332 20 30 DIEDHN CCC(CC)[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279828 340355283 /nfs/dbraw/zinc/35/52/83/340355283.db2.gz NHZXMUJEVNKPDE-AZOIQLNYSA-N 0 3 318.436 4.332 20 30 DIEDHN C[C@H](NC1CC(C)(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512289520 340355608 /nfs/dbraw/zinc/35/56/08/340355608.db2.gz SRAYMSDIHKTPCW-JTOQLSFASA-N 0 3 308.400 4.468 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000512557403 340366898 /nfs/dbraw/zinc/36/68/98/340366898.db2.gz QNVSLZXRSNPYFC-UHFFFAOYSA-N 0 3 323.436 4.330 20 30 DIEDHN Cc1cc(C)cc(OCCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512614072 340369093 /nfs/dbraw/zinc/36/90/93/340369093.db2.gz USTKAXFLYGOWDS-OAHLLOKOSA-N 0 3 312.388 4.044 20 30 DIEDHN C[C@@H](NCCc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512618867 340369360 /nfs/dbraw/zinc/36/93/60/340369360.db2.gz KEKPXXBBQBDVGX-GFCCVEGCSA-N 0 3 302.780 4.244 20 30 DIEDHN Cc1ccccc1OCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000512619861 340369441 /nfs/dbraw/zinc/36/94/41/340369441.db2.gz NNOVLEUQLUPWIJ-OAHLLOKOSA-N 0 3 312.388 4.126 20 30 DIEDHN C[C@@H](NCC(C)(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512625727 340369630 /nfs/dbraw/zinc/36/96/30/340369630.db2.gz QBXOHPZONWDCDD-CYBMUJFWSA-N 0 3 314.379 4.465 20 30 DIEDHN C[C@@H](NCCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512626921 340369643 /nfs/dbraw/zinc/36/96/43/340369643.db2.gz XPTLLXUGFRTDGK-CYBMUJFWSA-N 0 3 300.402 4.140 20 30 DIEDHN C[C@@H](NCCCc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512624904 340369697 /nfs/dbraw/zinc/36/96/97/340369697.db2.gz KWWLNIJDRCZOIG-CYBMUJFWSA-N 0 3 300.352 4.120 20 30 DIEDHN Cc1ccc(SCCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512628849 340369790 /nfs/dbraw/zinc/36/97/90/340369790.db2.gz GINPVWCRWWZYST-AWEZNQCLSA-N 0 3 314.429 4.449 20 30 DIEDHN C[C@H](NC[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629637 340369968 /nfs/dbraw/zinc/36/99/68/340369968.db2.gz JPJOSTSIOTUWPV-JOQOYGCGSA-N 0 3 318.436 4.189 20 30 DIEDHN C[C@H](NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629633 340370114 /nfs/dbraw/zinc/37/01/14/340370114.db2.gz JPJOSTSIOTUWPV-DHSIGJKJSA-N 0 3 318.436 4.189 20 30 DIEDHN C[C@H](NCCCn1ccc2ccccc21)c1ccc(C#N)cc1F ZINC000512643992 340370542 /nfs/dbraw/zinc/37/05/42/340370542.db2.gz ZBFNVHFYRIDBIA-HNNXBMFYSA-N 0 3 321.399 4.393 20 30 DIEDHN C[C@H](N[C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650135 340370925 /nfs/dbraw/zinc/37/09/25/340370925.db2.gz XKKANJRZNBVKNW-HOCLYGCPSA-N 0 3 316.420 4.230 20 30 DIEDHN C[C@@H](NC1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512649036 340370941 /nfs/dbraw/zinc/37/09/41/340370941.db2.gz PZFYCGGHPATOOR-OAHLLOKOSA-N 0 3 323.415 4.017 20 30 DIEDHN Cc1cccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654791 340371263 /nfs/dbraw/zinc/37/12/63/340371263.db2.gz OVNMWBUWRZIKSD-CABCVRRESA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](NCC1(c2cccc(F)c2)CC1)c1ccc(C#N)cc1F ZINC000512654471 340371320 /nfs/dbraw/zinc/37/13/20/340371320.db2.gz MMPZDWQRLOOSIJ-CYBMUJFWSA-N 0 3 312.363 4.219 20 30 DIEDHN C[C@H](NCC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512661067 340371714 /nfs/dbraw/zinc/37/17/14/340371714.db2.gz PSGCMALIPGGAMA-HNNXBMFYSA-N 0 3 308.400 4.371 20 30 DIEDHN C[C@@H](NCCC1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512661752 340371789 /nfs/dbraw/zinc/37/17/89/340371789.db2.gz UBBWGEIKTVMROT-CQSZACIVSA-N 0 3 308.400 4.153 20 30 DIEDHN CN(CCc1cccc2ccccc21)Cc1ccc(C#N)s1 ZINC000512664256 340371831 /nfs/dbraw/zinc/37/18/31/340371831.db2.gz YUVVHKLOMDUMBN-UHFFFAOYSA-N 0 3 306.434 4.447 20 30 DIEDHN C=CCOc1ccc(CNCC2(C(F)(F)F)CC2)cc1Cl ZINC000512863629 340381404 /nfs/dbraw/zinc/38/14/04/340381404.db2.gz DVKOAEVBRVDRSB-UHFFFAOYSA-N 0 3 319.754 4.337 20 30 DIEDHN C[C@H]1SCCN(CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000174868191 340397923 /nfs/dbraw/zinc/39/79/23/340397923.db2.gz KISZIUORVBBWAB-NVXWUHKLSA-N 0 3 302.487 4.495 20 30 DIEDHN Cc1ccc([C@@H]2CSCCN2CCCC(C)(C)C#N)cc1 ZINC000174866229 340397943 /nfs/dbraw/zinc/39/79/43/340397943.db2.gz HZDKEFWZILTRST-KRWDZBQOSA-N 0 3 302.487 4.415 20 30 DIEDHN Cc1cc(C(F)(F)F)ccc1CNCc1cccc(C#N)c1 ZINC000190835077 340547350 /nfs/dbraw/zinc/54/73/50/340547350.db2.gz HHCICNMMLTWJGU-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN Cn1cc(CN[C@H](c2cccc(F)c2)C2CCCC2)cc1C#N ZINC000191314958 340552800 /nfs/dbraw/zinc/55/28/00/340552800.db2.gz QRJYMQMDIQGLLD-IBGZPJMESA-N 0 3 311.404 4.057 20 30 DIEDHN C[C@@H](NCCSCc1ccccc1F)c1ccc(C#N)cc1 ZINC000538398300 340821186 /nfs/dbraw/zinc/82/11/86/340821186.db2.gz GOLBMNLTHHQLQD-CQSZACIVSA-N 0 3 314.429 4.281 20 30 DIEDHN CC(C)c1ccccc1OCCN[C@@H](C)c1cccc(C#N)c1 ZINC000538405745 340821426 /nfs/dbraw/zinc/82/14/26/340821426.db2.gz DCYFECPLDCAZTC-INIZCTEOSA-N 0 3 308.425 4.411 20 30 DIEDHN C[C@H](NCCSCc1ccccc1C#N)c1cccc(F)c1 ZINC000539073190 340870618 /nfs/dbraw/zinc/87/06/18/340870618.db2.gz JKLISOMLHBRBPS-AWEZNQCLSA-N 0 3 314.429 4.281 20 30 DIEDHN CC[C@H](CNCc1ccc(C#N)s1)Oc1ccccc1Cl ZINC000539513352 340888775 /nfs/dbraw/zinc/88/87/75/340888775.db2.gz BBIMTZGGXSWBED-GFCCVEGCSA-N 0 3 320.845 4.220 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000540319780 340926787 /nfs/dbraw/zinc/92/67/87/340926787.db2.gz UXESVCRNCHPNKX-CYBMUJFWSA-N 0 3 319.326 4.129 20 30 DIEDHN C[C@@H](NCCOc1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000540707001 340942422 /nfs/dbraw/zinc/94/24/22/340942422.db2.gz XRGFWHVNCYEABL-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000541625781 340978270 /nfs/dbraw/zinc/97/82/70/340978270.db2.gz KSWXDQXIJXEFPS-JKSUJKDBSA-N 0 3 322.518 4.238 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000542257228 341002257 /nfs/dbraw/zinc/00/22/57/341002257.db2.gz KSEIVOPUWUPUHJ-INIZCTEOSA-N 0 3 308.425 4.391 20 30 DIEDHN C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(CC#N)cc2)C1 ZINC000542276943 341002985 /nfs/dbraw/zinc/00/29/85/341002985.db2.gz FIPWFJWUDBADGJ-MGPUTAFESA-N 0 3 308.400 4.475 20 30 DIEDHN C[C@H]1SCCN(Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542277376 341003251 /nfs/dbraw/zinc/00/32/51/341003251.db2.gz PNXZWYIYLLKVSI-UZLBHIALSA-N 0 3 322.477 4.431 20 30 DIEDHN C=CCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542484159 341009716 /nfs/dbraw/zinc/00/97/16/341009716.db2.gz RAIPKFUMRTWLNI-UHFFFAOYSA-N 0 3 318.420 4.288 20 30 DIEDHN CC(C)OCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942364 341026940 /nfs/dbraw/zinc/02/69/40/341026940.db2.gz PSFJUBZTRTYXQQ-MRXNPFEDSA-N 0 3 308.425 4.301 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000543209673 341036883 /nfs/dbraw/zinc/03/68/83/341036883.db2.gz YWSOATAWPSWLTE-FOIQADDNSA-N 0 3 308.400 4.475 20 30 DIEDHN Clc1cccc(C#CCN[C@H](c2cccs2)C2CC2)c1 ZINC000543439190 341044566 /nfs/dbraw/zinc/04/45/66/341044566.db2.gz WTWKOZIERNEJRZ-KRWDZBQOSA-N 0 3 301.842 4.494 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000543487126 341047175 /nfs/dbraw/zinc/04/71/75/341047175.db2.gz KYZLDUOSUWCZSP-HZPDHXFCSA-N 0 3 320.502 4.014 20 30 DIEDHN CCOC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961859 341064304 /nfs/dbraw/zinc/06/43/04/341064304.db2.gz UGRKVVOQFXKVMG-HOTGVXAUSA-N 0 3 308.425 4.301 20 30 DIEDHN CC(C)n1cc([C@H](C)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000544470948 341083717 /nfs/dbraw/zinc/08/37/17/341083717.db2.gz OOPGWRXAYKOZPM-HNNXBMFYSA-N 0 3 310.445 4.116 20 30 DIEDHN CC[C@H](CSc1ccccc1)NCc1ccc(C#N)s1 ZINC000131701995 341109233 /nfs/dbraw/zinc/10/92/33/341109233.db2.gz HQJRFRRWMAFQKL-CYBMUJFWSA-N 0 3 302.468 4.280 20 30 DIEDHN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000074314518 341143272 /nfs/dbraw/zinc/14/32/72/341143272.db2.gz RCWBFJYIVIMHND-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN CCN(Cc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000132964915 341150807 /nfs/dbraw/zinc/15/08/07/341150807.db2.gz CHXOKCRDLFEUND-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN N#CCSCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000074981218 341158707 /nfs/dbraw/zinc/15/87/07/341158707.db2.gz MIXGJZKHPSNXSA-UHFFFAOYSA-N 0 3 310.466 4.336 20 30 DIEDHN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755636 341182047 /nfs/dbraw/zinc/18/20/47/341182047.db2.gz ZQGFKPUWGCEOMQ-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393554 341210849 /nfs/dbraw/zinc/21/08/49/341210849.db2.gz UKNMLAXZSKYXIS-GXTWGEPZSA-N 0 3 321.367 4.029 20 30 DIEDHN N#Cc1ccc(CNCCSCc2cccc3ccccc32)o1 ZINC000237842175 341221812 /nfs/dbraw/zinc/22/18/12/341221812.db2.gz ANNIMQSRSKEOQU-UHFFFAOYSA-N 0 3 322.433 4.327 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000135177685 341232799 /nfs/dbraw/zinc/23/27/99/341232799.db2.gz DOOFSXPNQHYIPY-IBGZPJMESA-N 0 3 319.452 4.174 20 30 DIEDHN CCC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832727 341236410 /nfs/dbraw/zinc/23/64/10/341236410.db2.gz RAOXOGFMIGGXSM-NVXWUHKLSA-N 0 3 324.428 4.057 20 30 DIEDHN CCC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832728 341236423 /nfs/dbraw/zinc/23/64/23/341236423.db2.gz RAOXOGFMIGGXSM-RDJZCZTQSA-N 0 3 324.428 4.057 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 ZINC000135675022 341243744 /nfs/dbraw/zinc/24/37/44/341243744.db2.gz OKBDLAGWORBBNB-SNVBAGLBSA-N 0 3 310.344 4.489 20 30 DIEDHN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000079046527 341252623 /nfs/dbraw/zinc/25/26/23/341252623.db2.gz YGUUBKYRROXISA-GFCCVEGCSA-N 0 3 304.315 4.428 20 30 DIEDHN C=CCOCCN(C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000549866105 341305497 /nfs/dbraw/zinc/30/54/97/341305497.db2.gz MGNQSEPBVRPOAF-OAHLLOKOSA-N 0 3 316.470 4.314 20 30 DIEDHN CC(C)(C)c1ccc(C(C)(C)CNC[C@@H](C#N)CCC#N)cc1 ZINC000550219439 341312683 /nfs/dbraw/zinc/31/26/83/341312683.db2.gz QBUKEQPYBJGXNA-MRXNPFEDSA-N 0 3 311.473 4.295 20 30 DIEDHN COc1ccc(CN([C@H](C)c2ccccc2)C2CC2)cc1C#N ZINC000551007563 341328985 /nfs/dbraw/zinc/32/89/85/341328985.db2.gz IOEPQHLUOHZHTA-OAHLLOKOSA-N 0 3 306.409 4.292 20 30 DIEDHN COc1cc(CN[C@@H](C)c2cccc(C3CC3)c2)ccc1C#N ZINC000551197554 341333875 /nfs/dbraw/zinc/33/38/75/341333875.db2.gz FXRIJHXJNDMPQS-AWEZNQCLSA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1cccc(C2(NCCSc3ccccc3F)CC2)c1 ZINC000551412257 341340902 /nfs/dbraw/zinc/34/09/02/341340902.db2.gz TUNUZZWSGXVYMD-UHFFFAOYSA-N 0 3 312.413 4.068 20 30 DIEDHN C=CCC[C@H](NC[C@@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249031 341381334 /nfs/dbraw/zinc/38/13/34/341381334.db2.gz ZWUGIQGQAACIGY-QAPCUYQASA-N 0 3 315.413 4.353 20 30 DIEDHN C=CCC[C@H](NC[C@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252458 341381604 /nfs/dbraw/zinc/38/16/04/341381604.db2.gz OCOXYKZNIDHPSH-HOCLYGCPSA-N 0 3 303.377 4.483 20 30 DIEDHN C=CCCCCCN(C)Cc1cnc(-c2ccncc2)s1 ZINC000552300404 341385262 /nfs/dbraw/zinc/38/52/62/341385262.db2.gz BDPRBJPPMWZSHF-UHFFFAOYSA-N 0 3 301.459 4.383 20 30 DIEDHN Cc1ccc(C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000248944677 341390490 /nfs/dbraw/zinc/39/04/90/341390490.db2.gz ZCAHMWYDNJNORT-SBHAEUEKSA-N 0 3 319.452 4.346 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994705 341391504 /nfs/dbraw/zinc/39/15/04/341391504.db2.gz ONUBLTSBJQUGHP-DVOMOZLQSA-N 0 3 304.821 4.226 20 30 DIEDHN C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000552922689 341408845 /nfs/dbraw/zinc/40/88/45/341408845.db2.gz OMVRFAVOLNEDJY-PUCZYUMASA-N 0 3 302.421 4.459 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981378 341471370 /nfs/dbraw/zinc/47/13/70/341471370.db2.gz CBVVTZYVUCXJKZ-KZULUSFZSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1cc(CNCc2ccc3ccccc3c2)ccc1C#N ZINC000565333639 341524015 /nfs/dbraw/zinc/52/40/15/341524015.db2.gz VVEZLSOTCRXVPD-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000267682050 341592911 /nfs/dbraw/zinc/59/29/11/341592911.db2.gz PMFDZKWSRDPLTJ-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000336875345 341809532 /nfs/dbraw/zinc/80/95/32/341809532.db2.gz FNYKVJAFMIMMQB-HZPDHXFCSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000175978359 341854759 /nfs/dbraw/zinc/85/47/59/341854759.db2.gz XCYQOOYWLDULBM-PIGZYNQJSA-N 0 3 300.402 4.172 20 30 DIEDHN N#Cc1ccc(CNCC2(c3cccc(Cl)c3)CC2)s1 ZINC000176973843 341908992 /nfs/dbraw/zinc/90/89/92/341908992.db2.gz BBKBONZAELQLPZ-UHFFFAOYSA-N 0 3 302.830 4.095 20 30 DIEDHN CO[C@H](c1ccccc1F)[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000577665936 341928111 /nfs/dbraw/zinc/92/81/11/341928111.db2.gz KBUJNTUAVNUWFJ-MRFFXTKBSA-N 0 3 324.399 4.050 20 30 DIEDHN Cc1cccc2nc(C3CCN([C@@H]4CC[C@H](C#N)C4)CC3)oc21 ZINC000328845737 519102840 /nfs/dbraw/zinc/10/28/40/519102840.db2.gz QHEFGESFQMZQFT-GOEBONIOSA-N 0 3 309.413 4.008 20 30 DIEDHN CC(C)CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000266564280 519718940 /nfs/dbraw/zinc/71/89/40/519718940.db2.gz ZCIDEACENAAAEQ-UHFFFAOYSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@H](N[C@@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015263 522724580 /nfs/dbraw/zinc/72/45/80/522724580.db2.gz HSVRZYILLQDRQL-RBUKOAKNSA-N 0 3 324.399 4.434 20 30 DIEDHN COc1ccc([C@H](N[C@@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424599 525373374 /nfs/dbraw/zinc/37/33/74/525373374.db2.gz VLYOFDKGRCDLHZ-VBKZILBWSA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622914 525545679 /nfs/dbraw/zinc/54/56/79/525545679.db2.gz CANBHLLSEJAUIS-YSSFQJQWSA-N 0 3 306.409 4.129 20 30 DIEDHN Cn1cc(CNC2(c3cccc(Cl)c3)CCCC2)cc1C#N ZINC000191350215 527214343 /nfs/dbraw/zinc/21/43/43/527214343.db2.gz HJWOACLCYKWAFE-UHFFFAOYSA-N 0 3 313.832 4.109 20 30 DIEDHN Cn1cc(CN[C@H](c2ccccc2F)C2CCCC2)cc1C#N ZINC000191310029 527221145 /nfs/dbraw/zinc/22/11/45/527221145.db2.gz QPYSUUKGKJGZHV-IBGZPJMESA-N 0 3 311.404 4.057 20 30 DIEDHN CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471126 535804854 /nfs/dbraw/zinc/80/48/54/535804854.db2.gz FUSQQDBBXAFGRV-KGLIPLIRSA-N 0 3 320.845 4.047 20 30 DIEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(Br)cc1 ZINC001256213934 1062748801 /nfs/dbraw/zinc/74/88/01/1062748801.db2.gz DVJJZHSPFGHYIV-SWLSCSKDSA-N 0 3 309.251 4.052 20 30 DIEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCC1CCCCCC1 ZINC001344863654 1035506480 /nfs/dbraw/zinc/50/64/80/1035506480.db2.gz IYBQWCWAPVYLLR-CYBMUJFWSA-N 0 3 307.825 4.000 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000579719922 1035529144 /nfs/dbraw/zinc/52/91/44/1035529144.db2.gz UROYDLRNMZZLNN-INIZCTEOSA-N 0 3 308.425 4.392 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000579719925 1035530334 /nfs/dbraw/zinc/53/03/34/1035530334.db2.gz UROYDLRNMZZLNN-MRXNPFEDSA-N 0 3 308.425 4.392 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H]1c1ccncc1 ZINC000153948961 1035636684 /nfs/dbraw/zinc/63/66/84/1035636684.db2.gz VZCTWORQIDECBH-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816123 1035682574 /nfs/dbraw/zinc/68/25/74/1035682574.db2.gz HWLKUKCXGBBNBJ-HZPDHXFCSA-N 0 3 305.805 4.264 20 30 DIEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@H]1c1ccccc1 ZINC000610216063 1035748714 /nfs/dbraw/zinc/74/87/14/1035748714.db2.gz HSNPSYBRRSJMBE-HNAYVOBHSA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@H]1c1ccccc1 ZINC000610216140 1035751883 /nfs/dbraw/zinc/75/18/83/1035751883.db2.gz OOFOINNVWMBWLE-HNAYVOBHSA-N 0 3 308.400 4.323 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1ccc(C#N)cc1 ZINC000154341206 1035876865 /nfs/dbraw/zinc/87/68/65/1035876865.db2.gz FFRGMVKUURTPMI-ZIAGYGMSSA-N 0 3 311.404 4.175 20 30 DIEDHN Cc1nc(N(CCC#N)Cc2ccc(Cl)cc2)cc2[nH]ccc21 ZINC001167140787 1036181765 /nfs/dbraw/zinc/18/17/65/1036181765.db2.gz BLRWQSKUFZPWJN-UHFFFAOYSA-N 0 3 324.815 4.445 20 30 DIEDHN C=CCCCCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC001209442324 1036190560 /nfs/dbraw/zinc/19/05/60/1036190560.db2.gz FRBOYXARDZXGFX-UHFFFAOYSA-N 0 3 307.400 4.292 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OCCC)cc2)cc1 ZINC000236829581 1036321027 /nfs/dbraw/zinc/32/10/27/1036321027.db2.gz WGGARLXVFJPUFH-UHFFFAOYSA-N 0 3 311.425 4.330 20 30 DIEDHN COc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)cc1 ZINC000177562004 1036565844 /nfs/dbraw/zinc/56/58/44/1036565844.db2.gz GKROYPNMSSUKOL-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN COc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)cc1 ZINC000177562017 1036566677 /nfs/dbraw/zinc/56/66/77/1036566677.db2.gz GKROYPNMSSUKOL-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(C)c(Br)c2)cc1 ZINC001651099300 1036627394 /nfs/dbraw/zinc/62/73/94/1036627394.db2.gz HSOQIPPPHTZGQY-UHFFFAOYSA-N 0 3 314.226 4.029 20 30 DIEDHN CCCCCCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001167387813 1037091938 /nfs/dbraw/zinc/09/19/38/1037091938.db2.gz XMPVIQCCRNIYLP-GOSISDBHSA-N 0 3 302.462 4.084 20 30 DIEDHN CN(Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000311173952 1037162499 /nfs/dbraw/zinc/16/24/99/1037162499.db2.gz VCKPDSPUUSVQEO-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN CCCCCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001167416076 1037177270 /nfs/dbraw/zinc/17/72/70/1037177270.db2.gz CJICFXYHMKAKBU-UHFFFAOYSA-N 0 3 323.912 4.213 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC#Cc1ccc(F)cc1 ZINC001167433962 1037293270 /nfs/dbraw/zinc/29/32/70/1037293270.db2.gz QBUNVPVNJAILAS-CRAIPNDOSA-N 0 3 311.375 4.194 20 30 DIEDHN CN(CCOc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000064951996 1037312635 /nfs/dbraw/zinc/31/26/35/1037312635.db2.gz PYHQDPNZZHLDFP-UHFFFAOYSA-N 0 3 316.404 4.222 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000160807777 1037468298 /nfs/dbraw/zinc/46/82/98/1037468298.db2.gz DHOYEMWRAHGHEP-AWEZNQCLSA-N 0 3 314.816 4.263 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2sc(C)nc2C)cc1 ZINC000040445862 1037561695 /nfs/dbraw/zinc/56/16/95/1037561695.db2.gz PRXDMMRKXUKLKK-GFCCVEGCSA-N 0 3 302.443 4.176 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)cc(C)c2)c1 ZINC000073011815 1037701510 /nfs/dbraw/zinc/70/15/10/1037701510.db2.gz RKPQNHXZEROKDP-IBGZPJMESA-N 0 3 308.425 4.274 20 30 DIEDHN CCc1oc2ccccc2c1CNCc1ccc(CC#N)cc1 ZINC000581547930 1037725630 /nfs/dbraw/zinc/72/56/30/1037725630.db2.gz GSWXIJGETMTCKD-UHFFFAOYSA-N 0 3 304.393 4.351 20 30 DIEDHN N#CCC1(CNCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000341412162 1037998263 /nfs/dbraw/zinc/99/82/63/1037998263.db2.gz XLPCNKKTMUJPSD-UHFFFAOYSA-N 0 3 317.845 4.247 20 30 DIEDHN Cc1ncc([C@@H](C)N(Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000602443206 1038006905 /nfs/dbraw/zinc/00/69/05/1038006905.db2.gz ATXSZKCNOLWYRD-MRXNPFEDSA-N 0 3 322.456 4.184 20 30 DIEDHN CCN([C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000602442950 1038008076 /nfs/dbraw/zinc/00/80/76/1038008076.db2.gz CYYDKXDDXFTMGB-GJZGRUSLSA-N 0 3 308.429 4.109 20 30 DIEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C[C@H](C)CCC#N ZINC000602456051 1038008990 /nfs/dbraw/zinc/00/89/90/1038008990.db2.gz ZLVDRYWVGZSIIB-QAPCUYQASA-N 0 3 310.445 4.133 20 30 DIEDHN CC[C@H](NC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602561480 1038035873 /nfs/dbraw/zinc/03/58/73/1038035873.db2.gz QZBPSUGWSVTPSR-ILDUYXDCSA-N 0 3 317.380 4.285 20 30 DIEDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177304 1038039261 /nfs/dbraw/zinc/03/92/61/1038039261.db2.gz MRASMZHKPSNVKF-KGLIPLIRSA-N 0 3 309.369 4.187 20 30 DIEDHN C[C@@H](c1ccc(F)cc1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909720 1038106354 /nfs/dbraw/zinc/10/63/54/1038106354.db2.gz MHJIBXPRFIAVQD-AWEZNQCLSA-N 0 3 309.388 4.033 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)s1 ZINC000175978405 1038109477 /nfs/dbraw/zinc/10/94/77/1038109477.db2.gz XCYQOOYWLDULBM-GTNSWQLSSA-N 0 3 300.402 4.172 20 30 DIEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000598619143 1038134823 /nfs/dbraw/zinc/13/48/23/1038134823.db2.gz BLLPENVCLDJMFO-SJORKVTESA-N 0 3 320.864 4.168 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H](c3ccccn3)C3CCC3)cc2)CC1 ZINC000598993822 1038212208 /nfs/dbraw/zinc/21/22/08/1038212208.db2.gz QHUAQECGYORTJS-HXUWFJFHSA-N 0 3 317.436 4.268 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ccccn1)C1CCC1 ZINC000599068192 1038230496 /nfs/dbraw/zinc/23/04/96/1038230496.db2.gz LULYMDLUUZOMOP-FPOVZHCZSA-N 0 3 317.436 4.462 20 30 DIEDHN CC(C)n1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706812 1038237443 /nfs/dbraw/zinc/23/74/43/1038237443.db2.gz IEWLIKWLVDTSEG-LIRRHRJNSA-N 0 3 308.429 4.064 20 30 DIEDHN CC(C)n1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706810 1038237752 /nfs/dbraw/zinc/23/77/52/1038237752.db2.gz IEWLIKWLVDTSEG-IFXJQAMLSA-N 0 3 308.429 4.064 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000796679094 1038238860 /nfs/dbraw/zinc/23/88/60/1038238860.db2.gz MTMHWXPIBKZMIO-HZPDHXFCSA-N 0 3 305.805 4.264 20 30 DIEDHN CC1(C)CCC(C)(C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599539097 1038311616 /nfs/dbraw/zinc/31/16/16/1038311616.db2.gz WKWBVLKCZAFKDE-UHFFFAOYSA-N 0 3 324.428 4.009 20 30 DIEDHN COc1ccc([C@H](C)NCCC2(C#N)CCCCC2)c(OC)c1 ZINC000599595888 1038317291 /nfs/dbraw/zinc/31/72/91/1038317291.db2.gz JHBJJEPZBCCYEA-HNNXBMFYSA-N 0 3 316.445 4.219 20 30 DIEDHN CCN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000341975699 1038360895 /nfs/dbraw/zinc/36/08/95/1038360895.db2.gz JVJXMDPBPBSQHG-UHFFFAOYSA-N 0 3 323.440 4.002 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1N(C)C ZINC000610830544 1038371783 /nfs/dbraw/zinc/37/17/83/1038371783.db2.gz ZWCWUCDMLUXYPX-UONOGXRCSA-N 0 3 311.404 4.175 20 30 DIEDHN CCc1nc2c(s1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829795 1038372126 /nfs/dbraw/zinc/37/21/26/1038372126.db2.gz LKXALVCKBAOKCO-SWLSCSKDSA-N 0 3 311.454 4.305 20 30 DIEDHN Cc1ccc([C@H]2[C@H](C)CCCN2Cc2ccnc(C#N)c2)cc1 ZINC000610993532 1038423277 /nfs/dbraw/zinc/42/32/77/1038423277.db2.gz WLHNYZVPYIGTAD-OXQOHEQNSA-N 0 3 305.425 4.235 20 30 DIEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000172210048 1038563799 /nfs/dbraw/zinc/56/37/99/1038563799.db2.gz HYYLFVBEEABOAF-IUODEOHRSA-N 0 3 322.339 4.337 20 30 DIEDHN C[C@@H](Cc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000172661583 1038632468 /nfs/dbraw/zinc/63/24/68/1038632468.db2.gz QCEASMZPJVTUQO-JSGCOSHPSA-N 0 3 322.339 4.022 20 30 DIEDHN C[C@H](Cc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000172661581 1038632635 /nfs/dbraw/zinc/63/26/35/1038632635.db2.gz QCEASMZPJVTUQO-TZMCWYRMSA-N 0 3 322.339 4.022 20 30 DIEDHN C[C@H](NCc1cccc(OC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000540707639 1038635088 /nfs/dbraw/zinc/63/50/88/1038635088.db2.gz LOTZEADNSDWDQJ-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN C=CCN(CCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300577 1038692472 /nfs/dbraw/zinc/69/24/72/1038692472.db2.gz JBVIFKOJLDWKRF-UHFFFAOYSA-N 0 3 324.399 4.154 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1cc(C)cc(CN(C)C)c1)c1ccccc1 ZINC000533967295 1038760245 /nfs/dbraw/zinc/76/02/45/1038760245.db2.gz LNFUVNPYBJCABL-SFHVURJKSA-N 0 3 322.452 4.355 20 30 DIEDHN C#CCCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000174613144 1038970388 /nfs/dbraw/zinc/97/03/88/1038970388.db2.gz UDHSHRJULRXDQR-UHFFFAOYSA-N 0 3 324.371 4.332 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170861 1039242715 /nfs/dbraw/zinc/24/27/15/1039242715.db2.gz CKLXKOWJTMFANK-KDOFPFPSSA-N 0 3 322.408 4.131 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1coc2ccccc12 ZINC000340426176 1039371400 /nfs/dbraw/zinc/37/14/00/1039371400.db2.gz MJSDWVJACAXUCT-IBGZPJMESA-N 0 3 302.377 4.472 20 30 DIEDHN COc1cccc(C2(N[C@@H]3CCc4ccc(C#N)cc43)CCC2)c1 ZINC000595094275 1039385511 /nfs/dbraw/zinc/38/55/11/1039385511.db2.gz USBYUNFLZWKKJL-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN C[C@H](NCc1ccc(C(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000462848649 1039404933 /nfs/dbraw/zinc/40/49/33/1039404933.db2.gz UVWWRWHIHCBZSN-NSHDSACASA-N 0 3 304.315 4.486 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278355001 1039410833 /nfs/dbraw/zinc/41/08/33/1039410833.db2.gz ZRXQVPSAIMQION-XOBRGWDASA-N 0 3 321.424 4.319 20 30 DIEDHN Cc1cc([C@@H](NCc2cc(C#N)cs2)C2CC2)ccc1F ZINC000536098869 1039417016 /nfs/dbraw/zinc/41/70/16/1039417016.db2.gz KOISCBIVQJBXBU-KRWDZBQOSA-N 0 3 300.402 4.308 20 30 DIEDHN CCCNc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000278367349 1039420338 /nfs/dbraw/zinc/42/03/38/1039420338.db2.gz BWDUHVMVJVMLKF-CQSZACIVSA-N 0 3 311.404 4.370 20 30 DIEDHN Cn1cc(CN[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309720 1039751356 /nfs/dbraw/zinc/75/13/56/1039751356.db2.gz LZQSNFJUQWHKJE-KXBFYZLASA-N 0 3 319.452 4.286 20 30 DIEDHN CCOCc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271981765 1039944645 /nfs/dbraw/zinc/94/46/45/1039944645.db2.gz ZADBEHOWWGASSK-CQSZACIVSA-N 0 3 312.388 4.085 20 30 DIEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000612058190 1040317777 /nfs/dbraw/zinc/31/77/77/1040317777.db2.gz PIIKJTHWAVJIMX-UHFFFAOYSA-N 0 3 318.342 4.403 20 30 DIEDHN CN(CCc1ccccc1Cl)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754505 1040661242 /nfs/dbraw/zinc/66/12/42/1040661242.db2.gz BOLXAEYVMUQLFJ-UHFFFAOYSA-N 0 3 320.770 4.164 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000180015601 1040693612 /nfs/dbraw/zinc/69/36/12/1040693612.db2.gz OMWHPXWJEIGJJO-CQSZACIVSA-N 0 3 314.479 4.234 20 30 DIEDHN CCS[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C(C)C ZINC000177745830 1040766146 /nfs/dbraw/zinc/76/61/46/1040766146.db2.gz SGKAVMLWNHZQPJ-SMDDNHRTSA-N 0 3 310.488 4.220 20 30 DIEDHN CC(C)(C#N)CN[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000613145813 1040801348 /nfs/dbraw/zinc/80/13/48/1040801348.db2.gz MHBMLHKEFCRTOE-HXUWFJFHSA-N 0 3 306.453 4.370 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1ccc2ccccc2n1 ZINC000613290547 1040861029 /nfs/dbraw/zinc/86/10/29/1040861029.db2.gz FJGDSYNZFBGJLR-CQSZACIVSA-N 0 3 318.401 4.275 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696259 1041007699 /nfs/dbraw/zinc/00/76/99/1041007699.db2.gz OCJYKZCFFSFMPS-IAGOWNOFSA-N 0 3 312.388 4.124 20 30 DIEDHN N#CC(C(=O)CCSc1cccc(Cl)c1)c1ccccn1 ZINC000808980186 1041058428 /nfs/dbraw/zinc/05/84/28/1041058428.db2.gz WAJJNPUTQANONX-CQSZACIVSA-N 0 3 316.813 4.094 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000616810510 1041130846 /nfs/dbraw/zinc/13/08/46/1041130846.db2.gz YQRXASJAQVQPCK-OAHLLOKOSA-N 0 3 310.363 4.277 20 30 DIEDHN C#Cc1ccc(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000809542429 1041183235 /nfs/dbraw/zinc/18/32/35/1041183235.db2.gz GLBUWLHYMPKYNC-IBGZPJMESA-N 0 3 321.420 4.022 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000809606423 1041192904 /nfs/dbraw/zinc/19/29/04/1041192904.db2.gz QUMMMTLOYIUJDW-CYBMUJFWSA-N 0 3 301.336 4.120 20 30 DIEDHN C#Cc1ccc(CN(C)[C@H]2CCCc3nc(CC)sc32)cc1 ZINC000809586019 1041197849 /nfs/dbraw/zinc/19/78/49/1041197849.db2.gz GKYBXELJQUKQBH-KRWDZBQOSA-N 0 3 310.466 4.196 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(Br)cc2)cc1 ZINC000809602251 1041200976 /nfs/dbraw/zinc/20/09/76/1041200976.db2.gz LFOUPPPCDJLTGX-CYBMUJFWSA-N 0 3 314.226 4.281 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000809604041 1041203198 /nfs/dbraw/zinc/20/31/98/1041203198.db2.gz NJNPKLFYZCXVFJ-ZDUSSCGKSA-N 0 3 319.326 4.417 20 30 DIEDHN N#Cc1ccc(F)c(CNC2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000809625241 1041203699 /nfs/dbraw/zinc/20/36/99/1041203699.db2.gz ZXJOAQMUMFDGKQ-UHFFFAOYSA-N 0 3 316.326 4.011 20 30 DIEDHN CC[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1 ZINC000278805628 1041216105 /nfs/dbraw/zinc/21/61/05/1041216105.db2.gz RNVIQLBALVLJPX-SFHVURJKSA-N 0 3 323.440 4.371 20 30 DIEDHN C/C=C\COc1ccc(CC[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000613540398 1041235080 /nfs/dbraw/zinc/23/50/80/1041235080.db2.gz UQBCBCWJXVZTHZ-OGZRUICASA-N 0 3 300.446 4.102 20 30 DIEDHN C[C@H](Nc1ccc([C@H]2CCCCN2C)cn1)c1cccc(C#N)c1 ZINC001167707145 1041265208 /nfs/dbraw/zinc/26/52/08/1041265208.db2.gz GSUJCZTUODHYHS-HNAYVOBHSA-N 0 3 320.440 4.283 20 30 DIEDHN CC[C@H](N[C@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794856 1041267538 /nfs/dbraw/zinc/26/75/38/1041267538.db2.gz NNBWDVKJNVAKOI-HIFRSBDPSA-N 0 3 304.434 4.073 20 30 DIEDHN CC(C)Oc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000810211209 1041337158 /nfs/dbraw/zinc/33/71/58/1041337158.db2.gz OOSROBUNXFCLSV-FQEVSTJZSA-N 0 3 306.409 4.123 20 30 DIEDHN CN(Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC000480722540 1041383150 /nfs/dbraw/zinc/38/31/50/1041383150.db2.gz YJTZSNXURZBFFK-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728713137 1041478273 /nfs/dbraw/zinc/47/82/73/1041478273.db2.gz MHOLSCOABLLYOE-HOTGVXAUSA-N 0 3 324.424 4.227 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2csc3ccccc23)cc1 ZINC000728711950 1041478722 /nfs/dbraw/zinc/47/87/22/1041478722.db2.gz PUNCZZOQCYAPEN-AWEZNQCLSA-N 0 3 322.433 4.482 20 30 DIEDHN Cc1cc(F)ccc1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001170684114 1041641381 /nfs/dbraw/zinc/64/13/81/1041641381.db2.gz UMQMJYUTVCCQLF-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1COCc2ccccc21 ZINC000417361311 1041664417 /nfs/dbraw/zinc/66/44/17/1041664417.db2.gz KPHNRAZRWMSSTG-SFTDATJTSA-N 0 3 318.420 4.187 20 30 DIEDHN COc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375917 1041667774 /nfs/dbraw/zinc/66/77/74/1041667774.db2.gz ZXJKPIJDOOIGGZ-UGSOOPFHSA-N 0 3 322.408 4.001 20 30 DIEDHN CC(C)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375928 1041668236 /nfs/dbraw/zinc/66/82/36/1041668236.db2.gz ZYNSAWROFHAEIP-UYAOXDASSA-N 0 3 323.415 4.457 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634929 1041714788 /nfs/dbraw/zinc/71/47/88/1041714788.db2.gz MZEINKTWALMQRB-UZLBHIALSA-N 0 3 307.437 4.329 20 30 DIEDHN C[C@H](CCc1cccc(C(F)(F)F)c1)NCC1(C#N)CCC1 ZINC000418140609 1041730990 /nfs/dbraw/zinc/73/09/90/1041730990.db2.gz JUEVGINZAIHGTC-CYBMUJFWSA-N 0 3 310.363 4.310 20 30 DIEDHN C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC000418143275 1041731456 /nfs/dbraw/zinc/73/14/56/1041731456.db2.gz PAGSGCRNCHYISI-ZDUSSCGKSA-N 0 3 310.363 4.310 20 30 DIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000216700828 1041745595 /nfs/dbraw/zinc/74/55/95/1041745595.db2.gz NIPCKTNKTDJHPQ-AWEZNQCLSA-N 0 3 306.365 4.034 20 30 DIEDHN C#CCCOc1ccc(CNC(C)(C)c2cccc(F)c2)cc1 ZINC000236696830 1041778363 /nfs/dbraw/zinc/77/83/63/1041778363.db2.gz ZZPMKQARNZIHKP-UHFFFAOYSA-N 0 3 311.400 4.253 20 30 DIEDHN CCN(CC)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000747925216 1041795091 /nfs/dbraw/zinc/79/50/91/1041795091.db2.gz ZSPSBVYASXQYSX-UHFFFAOYSA-N 0 3 319.452 4.183 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc([C@H](C)OCC)n1 ZINC000661118155 1041889300 /nfs/dbraw/zinc/88/93/00/1041889300.db2.gz XBLUYSIXUDKYTA-LZWOXQAQSA-N 0 3 308.491 4.465 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccsc2)no1 ZINC000661119710 1041890030 /nfs/dbraw/zinc/89/00/30/1041890030.db2.gz WKOZHTXPZIQTRP-OCCSQVGLSA-N 0 3 303.431 4.023 20 30 DIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815009296 1041902710 /nfs/dbraw/zinc/90/27/10/1041902710.db2.gz DFGOINXRMBGWNO-GOSISDBHSA-N 0 3 307.393 4.154 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccsc2C)c1 ZINC000815126748 1041916394 /nfs/dbraw/zinc/91/63/94/1041916394.db2.gz QFZKNCKJSFQQBG-INIZCTEOSA-N 0 3 300.427 4.027 20 30 DIEDHN C=CCc1cc(CNCc2ccsc2C)cc(OC)c1OC ZINC000815123428 1041916633 /nfs/dbraw/zinc/91/66/33/1041916633.db2.gz HDFREVXXYASEGJ-UHFFFAOYSA-N 0 3 317.454 4.092 20 30 DIEDHN C=CC[C@H]1CCCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378532 1041929784 /nfs/dbraw/zinc/92/97/84/1041929784.db2.gz IGMXRVDSMVNOQU-CVEARBPZSA-N 0 3 311.429 4.394 20 30 DIEDHN C=C(C)CN1[C@@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001170784417 1041949658 /nfs/dbraw/zinc/94/96/58/1041949658.db2.gz UTLLYCLYZVOBPJ-KBPBESRZSA-N 0 3 312.379 4.181 20 30 DIEDHN N#CC(C(=O)[C@H]1CC2CCC1CC2)c1ccc2ccccc2n1 ZINC000815899136 1042000532 /nfs/dbraw/zinc/00/05/32/1042000532.db2.gz GTRYHDFDYLILKQ-LCSXWQTCSA-N 0 3 304.393 4.237 20 30 DIEDHN C=CCC1([NH2+]Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCCC1 ZINC000661864320 1042008355 /nfs/dbraw/zinc/00/83/55/1042008355.db2.gz PCQQNWFDIILAMY-UHFFFAOYSA-N 0 3 323.396 4.060 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662081803 1042056965 /nfs/dbraw/zinc/05/69/65/1042056965.db2.gz SAOBSYSKEZYGRC-OKZBNKHCSA-N 0 3 312.457 4.122 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662081903 1042057217 /nfs/dbraw/zinc/05/72/17/1042057217.db2.gz STSNLVKMBHSATJ-ZACQAIPSSA-N 0 3 312.457 4.320 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000662084165 1042059458 /nfs/dbraw/zinc/05/94/58/1042059458.db2.gz NOYDOIRRIWYIRI-HRCADAONSA-N 0 3 309.413 4.289 20 30 DIEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000125694850 1042076021 /nfs/dbraw/zinc/07/60/21/1042076021.db2.gz PEBLMNVAMWQUDB-ZDUSSCGKSA-N 0 3 316.451 4.130 20 30 DIEDHN N#CCC[C@H](C#N)CNCC1(c2ccc(F)cc2)CCCCC1 ZINC000066483996 1042140317 /nfs/dbraw/zinc/14/03/17/1042140317.db2.gz PNAQMKNJZOZHIP-MRXNPFEDSA-N 0 3 313.420 4.061 20 30 DIEDHN C=CCN(C(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000647742064 1042206980 /nfs/dbraw/zinc/20/69/80/1042206980.db2.gz ZJURZNYJFFOLTR-UHFFFAOYSA-N 0 3 320.436 4.115 20 30 DIEDHN CC[C@H](C)Oc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000066971920 1042212306 /nfs/dbraw/zinc/21/23/06/1042212306.db2.gz HAOWEBUITLHVJN-HNNXBMFYSA-N 0 3 324.424 4.034 20 30 DIEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000585767189 1042245532 /nfs/dbraw/zinc/24/55/32/1042245532.db2.gz JSFLGLBJOBKRGX-HUUCEWRRSA-N 0 3 310.363 4.481 20 30 DIEDHN C#CCCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822526847 1042288705 /nfs/dbraw/zinc/28/87/05/1042288705.db2.gz ZSPFLWZMRIHQMN-QGZVFWFLSA-N 0 3 318.420 4.153 20 30 DIEDHN C#CCCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822526846 1042288912 /nfs/dbraw/zinc/28/89/12/1042288912.db2.gz ZSPFLWZMRIHQMN-KRWDZBQOSA-N 0 3 318.420 4.153 20 30 DIEDHN COc1cccc(C2(NCc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000614179149 1042422264 /nfs/dbraw/zinc/42/22/64/1042422264.db2.gz JIZLYXHJBHYRMT-UHFFFAOYSA-N 0 3 320.436 4.275 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000614177565 1042422390 /nfs/dbraw/zinc/42/23/90/1042422390.db2.gz YITHYIIWJVNKOS-IBGZPJMESA-N 0 3 305.425 4.220 20 30 DIEDHN COc1cc(CN[C@H]2CC[C@@H](C)c3ccsc32)ccc1C#N ZINC000453247842 1042425730 /nfs/dbraw/zinc/42/57/30/1042425730.db2.gz IDCKVCCYJIXORL-WBMJQRKESA-N 0 3 312.438 4.357 20 30 DIEDHN CCOc1cccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236974804 1042440804 /nfs/dbraw/zinc/44/08/04/1042440804.db2.gz YHUHODZJULYTAP-HZPDHXFCSA-N 0 3 324.424 4.227 20 30 DIEDHN C#CCOc1ccc(CN[C@H](CC)c2ccccc2OCC)cc1 ZINC000236990826 1042446871 /nfs/dbraw/zinc/44/68/71/1042446871.db2.gz KQBKBKPTIJZUMG-HXUWFJFHSA-N 0 3 323.436 4.338 20 30 DIEDHN C=C(CNCc1csc(Br)c1)c1ccccc1 ZINC000397490346 1042463776 /nfs/dbraw/zinc/46/37/76/1042463776.db2.gz ZHRIWTOMXJGKDE-UHFFFAOYSA-N 0 3 308.244 4.314 20 30 DIEDHN CCC#C[C@H](C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001167921066 1042473665 /nfs/dbraw/zinc/47/36/65/1042473665.db2.gz PMENXNIVLBHABF-ZDUSSCGKSA-N 0 3 316.832 4.463 20 30 DIEDHN COCCN(Cc1ccc(C#N)cc1C)[C@@H](C)c1ccccc1 ZINC000614396804 1042489760 /nfs/dbraw/zinc/48/97/60/1042489760.db2.gz PVTVLVOKBQORJV-KRWDZBQOSA-N 0 3 308.425 4.076 20 30 DIEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000614396153 1042489862 /nfs/dbraw/zinc/48/98/62/1042489862.db2.gz ZOFCARXZHDSHIQ-ZDUSSCGKSA-N 0 3 300.352 4.338 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2C)C2CC2)cc1 ZINC000614395970 1042490015 /nfs/dbraw/zinc/49/00/15/1042490015.db2.gz HBABTKQQXDIISK-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN C=CCOCCN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000679576826 1042576216 /nfs/dbraw/zinc/57/62/16/1042576216.db2.gz VXPOBUBYXQHLOQ-GOSISDBHSA-N 0 3 301.817 4.222 20 30 DIEDHN Cc1ccc(C(=O)CCN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529691 1042837838 /nfs/dbraw/zinc/83/78/38/1042837838.db2.gz CNBHOLLBDCWMRN-MRXNPFEDSA-N 0 3 306.409 4.133 20 30 DIEDHN C=CCC[C@H](NCc1cnc2onc(C)c2c1)c1ccccc1 ZINC000894358118 1042901613 /nfs/dbraw/zinc/90/16/13/1042901613.db2.gz DRUBIJZUYUEQGJ-SFHVURJKSA-N 0 3 307.397 4.328 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1Cl ZINC000517935238 1042903019 /nfs/dbraw/zinc/90/30/19/1042903019.db2.gz PWSSKOWQAHNHGX-ZDUSSCGKSA-N 0 3 314.816 4.265 20 30 DIEDHN CC1CCN(c2ccc(CNCc3cccc(C#N)c3)cc2)CC1 ZINC000108423543 1042911621 /nfs/dbraw/zinc/91/16/21/1042911621.db2.gz HQMDXBLZLJISII-UHFFFAOYSA-N 0 3 319.452 4.084 20 30 DIEDHN CCCOCc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000173956817 1043057468 /nfs/dbraw/zinc/05/74/68/1043057468.db2.gz ILVGFZLNHBONOA-INIZCTEOSA-N 0 3 308.425 4.336 20 30 DIEDHN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000174039586 1043060021 /nfs/dbraw/zinc/06/00/21/1043060021.db2.gz VRGKVVPFWCMINB-CYBMUJFWSA-N 0 3 316.351 4.053 20 30 DIEDHN CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1[O-] ZINC000794826986 1043065495 /nfs/dbraw/zinc/06/54/95/1043065495.db2.gz GOVRFSGQBYDHDC-MOPGFXCFSA-N 0 3 306.409 4.301 20 30 DIEDHN CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1[O-] ZINC000794826988 1043065577 /nfs/dbraw/zinc/06/55/77/1043065577.db2.gz GOVRFSGQBYDHDC-OALUTQOASA-N 0 3 306.409 4.301 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2c1NCCC2 ZINC000895024909 1043070248 /nfs/dbraw/zinc/07/02/48/1043070248.db2.gz KMVAZHZQLLLECE-HXUWFJFHSA-N 0 3 317.436 4.084 20 30 DIEDHN CC(C)(C)Oc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000865451835 1043100270 /nfs/dbraw/zinc/10/02/70/1043100270.db2.gz BPNWXKXAVGUDQS-UHFFFAOYSA-N 0 3 324.424 4.056 20 30 DIEDHN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000176962725 1043101351 /nfs/dbraw/zinc/10/13/51/1043101351.db2.gz IBCVJYUIJFRRLS-KRWDZBQOSA-N 0 3 300.402 4.390 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000176944146 1043101786 /nfs/dbraw/zinc/10/17/86/1043101786.db2.gz GTXMCHMGQCWSMB-SNVBAGLBSA-N 0 3 308.353 4.072 20 30 DIEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476515 1043165290 /nfs/dbraw/zinc/16/52/90/1043165290.db2.gz KAQKZDHPGKBDLN-YOEHRIQHSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881704 1043340634 /nfs/dbraw/zinc/34/06/34/1043340634.db2.gz AZIZIZSACHCMBZ-RDTXWAMCSA-N 0 3 324.424 4.377 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OC)c(COCC)c1)c1ccccc1 ZINC000270252914 1043381969 /nfs/dbraw/zinc/38/19/69/1043381969.db2.gz USNLLNLDVXLXBC-HXUWFJFHSA-N 0 3 323.436 4.086 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453138 1043422080 /nfs/dbraw/zinc/42/20/80/1043422080.db2.gz GKEHJCOMHOHMLB-VQIMIIECSA-N 0 3 323.436 4.427 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860607 1043436611 /nfs/dbraw/zinc/43/66/11/1043436611.db2.gz LHPJJKVTNPIJML-KPFFTGBYSA-N 0 3 306.409 4.089 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557467 1043437164 /nfs/dbraw/zinc/43/71/64/1043437164.db2.gz SZXCSYYTYHBSLC-LAUBAEHRSA-N 0 3 323.436 4.127 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573601 1043439766 /nfs/dbraw/zinc/43/97/66/1043439766.db2.gz WAHVBVAASFOMSV-HZPDHXFCSA-N 0 3 310.466 4.437 20 30 DIEDHN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(C#N)c(OC)c1 ZINC000443060028 1043474641 /nfs/dbraw/zinc/47/46/41/1043474641.db2.gz FERUZFWXNBLVAJ-UHFFFAOYSA-N 0 3 319.408 4.070 20 30 DIEDHN COc1cc(CN(C)C/C(C)=C/c2ccccc2)ccc1C#N ZINC000443066918 1043474857 /nfs/dbraw/zinc/47/48/57/1043474857.db2.gz IRMUAFRLHVGEII-LFIBNONCSA-N 0 3 306.409 4.102 20 30 DIEDHN N#Cc1cccc(OC2CCN(Cc3ccc(CF)cc3)CC2)c1 ZINC000777578135 1043485361 /nfs/dbraw/zinc/48/53/61/1043485361.db2.gz YNBHXHAHXGWHSX-UHFFFAOYSA-N 0 3 324.399 4.071 20 30 DIEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001275115296 1043575664 /nfs/dbraw/zinc/57/56/64/1043575664.db2.gz UPQWPVIYGVOZRW-IBGZPJMESA-N 0 3 308.510 4.070 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599384 1043606412 /nfs/dbraw/zinc/60/64/12/1043606412.db2.gz FYDBHFQTWKKLMK-JLTOFOAXSA-N 0 3 320.440 4.208 20 30 DIEDHN CCC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(OC)cc1 ZINC000353621651 1043625734 /nfs/dbraw/zinc/62/57/34/1043625734.db2.gz LABOIEHVEBTATK-LJQANCHMSA-N 0 3 324.424 4.206 20 30 DIEDHN CCC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000353663790 1043629383 /nfs/dbraw/zinc/62/93/83/1043629383.db2.gz UYKHZDPMURDLBZ-MRXNPFEDSA-N 0 3 300.427 4.259 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895337339 1043641845 /nfs/dbraw/zinc/64/18/45/1043641845.db2.gz ILXBHJRQTMKOIT-NSHDSACASA-N 0 3 304.381 4.036 20 30 DIEDHN COc1ccc(CN[C@@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000353916651 1043656697 /nfs/dbraw/zinc/65/66/97/1043656697.db2.gz RAJNOQZQNYMIMK-IBGZPJMESA-N 0 3 324.424 4.229 20 30 DIEDHN COc1ccc(OC)c(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000353915775 1043657756 /nfs/dbraw/zinc/65/77/56/1043657756.db2.gz NICDFYPTVXYSPH-IBGZPJMESA-N 0 3 324.424 4.229 20 30 DIEDHN Cc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1C#N ZINC000926966221 1043663427 /nfs/dbraw/zinc/66/34/27/1043663427.db2.gz IMHORXPIBJLSPA-LRDDRELGSA-N 0 3 310.372 4.050 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C)c(C#N)c1)CCS2 ZINC000926967645 1043664456 /nfs/dbraw/zinc/66/44/56/1043664456.db2.gz WFHXNNOMDBKUOH-SFHVURJKSA-N 0 3 324.449 4.202 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000927060691 1043675892 /nfs/dbraw/zinc/67/58/92/1043675892.db2.gz DQECMKUYMQXJNQ-WOJBJXKFSA-N 0 3 317.436 4.388 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000927063318 1043677811 /nfs/dbraw/zinc/67/78/11/1043677811.db2.gz DQECMKUYMQXJNQ-PMACEKPBSA-N 0 3 317.436 4.388 20 30 DIEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC1CCCC1 ZINC000876599392 1043700902 /nfs/dbraw/zinc/70/09/02/1043700902.db2.gz ZQXXULCLLYHFBB-CYBMUJFWSA-N 0 3 324.877 4.130 20 30 DIEDHN C=CCCC[C@@H](NCc1cc(C2CC2)nn1C)c1ccccc1 ZINC000895637024 1043720838 /nfs/dbraw/zinc/72/08/38/1043720838.db2.gz CHEUQMHXNCHCKD-LJQANCHMSA-N 0 3 309.457 4.485 20 30 DIEDHN Cc1nc2sccn2c1CN(C)CCCCC1(C#N)CCC1 ZINC000930026355 1043868565 /nfs/dbraw/zinc/86/85/65/1043868565.db2.gz DUNGCGONRFEAQC-UHFFFAOYSA-N 0 3 316.474 4.000 20 30 DIEDHN N#Cc1cncc(CNC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000930229851 1043901001 /nfs/dbraw/zinc/90/10/01/1043901001.db2.gz FJKOKBKWCOGOPF-UHFFFAOYSA-N 0 3 311.816 4.166 20 30 DIEDHN C=CCC1(NCc2coc(-c3ccccc3OC)n2)CCCC1 ZINC000878954364 1043930822 /nfs/dbraw/zinc/93/08/22/1043930822.db2.gz UXEHKAMKEPXNOY-UHFFFAOYSA-N 0 3 312.413 4.329 20 30 DIEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1SC(C)C ZINC000474893216 1043972218 /nfs/dbraw/zinc/97/22/18/1043972218.db2.gz CKOXGKOXFJPUQQ-ZDUSSCGKSA-N 0 3 313.894 4.115 20 30 DIEDHN CC(C)CN(Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccn1 ZINC000896666023 1043977604 /nfs/dbraw/zinc/97/76/04/1043977604.db2.gz VMOGOJUVVBKPAW-QGZVFWFLSA-N 0 3 323.440 4.031 20 30 DIEDHN CC(C)N(Cc1ccc(Br)cc1C#N)C1CCC1 ZINC000561870285 1044016164 /nfs/dbraw/zinc/01/61/64/1044016164.db2.gz QGVCHHIITRDBPT-UHFFFAOYSA-N 0 3 307.235 4.084 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000562199104 1044082370 /nfs/dbraw/zinc/08/23/70/1044082370.db2.gz MNMDHXAICSBCQQ-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccccc2)ccc1OC ZINC000129504471 1044158625 /nfs/dbraw/zinc/15/86/25/1044158625.db2.gz WBNLWDVNGGUDSB-YJBOKZPZSA-N 0 3 324.424 4.227 20 30 DIEDHN Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2NCCCC#N ZINC000346839404 1044160154 /nfs/dbraw/zinc/16/01/54/1044160154.db2.gz SPEFWXBUGBFBSZ-QGZVFWFLSA-N 0 3 300.446 4.400 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(SC)cc2)ccc1C#N ZINC000281567047 1044161353 /nfs/dbraw/zinc/16/13/53/1044161353.db2.gz CHYKJZIQDOMSLN-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN C=C(C)[C@H](NCc1cccc(C)c1O)c1ccc(F)c(F)c1 ZINC000187445643 1044193893 /nfs/dbraw/zinc/19/38/93/1044193893.db2.gz RQECVKFGZCSENK-KRWDZBQOSA-N 0 3 303.352 4.386 20 30 DIEDHN N#Cc1ccc(-c2cccc(CNCc3ccc(F)nc3)c2)s1 ZINC000778168874 1044196690 /nfs/dbraw/zinc/19/66/90/1044196690.db2.gz KPCCSFKDXBQICW-UHFFFAOYSA-N 0 3 323.396 4.111 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC1CCC(F)(F)CC1 ZINC000778171201 1044197309 /nfs/dbraw/zinc/19/73/09/1044197309.db2.gz CYTQUKWBWYMOAR-UHFFFAOYSA-N 0 3 313.775 4.020 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000778235322 1044238429 /nfs/dbraw/zinc/23/84/29/1044238429.db2.gz UPSJORHFFFISJK-UHFFFAOYSA-N 0 3 305.365 4.315 20 30 DIEDHN C=CCCC[C@H](NCc1cnc2n1CCCC2)c1ccccc1 ZINC000883220303 1044238458 /nfs/dbraw/zinc/23/84/58/1044238458.db2.gz HPMMRIVKVRRFSY-IBGZPJMESA-N 0 3 309.457 4.407 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)NC1(c2ncccn2)CCC1 ZINC000883311407 1044264749 /nfs/dbraw/zinc/26/47/49/1044264749.db2.gz YUXOEVCCZLRRGB-GOSISDBHSA-N 0 3 307.441 4.023 20 30 DIEDHN C=CCCC[C@H](NCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000883325239 1044273942 /nfs/dbraw/zinc/27/39/42/1044273942.db2.gz URGWZAWKIGLCAH-KRWDZBQOSA-N 0 3 314.454 4.034 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N1CCCC1 ZINC000186376358 1044405325 /nfs/dbraw/zinc/40/53/25/1044405325.db2.gz OWRNEAVYOGDWJC-QGZVFWFLSA-N 0 3 319.452 4.351 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCOc3ccccc32)cc1 ZINC000133529259 1044410844 /nfs/dbraw/zinc/41/08/44/1044410844.db2.gz KIGCSFDRNBSIIP-JXFKEZNVSA-N 0 3 321.420 4.263 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000565353371 1044430606 /nfs/dbraw/zinc/43/06/06/1044430606.db2.gz ZPAMXYLKRBSXQT-FRFSOERESA-N 0 3 301.821 4.009 20 30 DIEDHN C=CCCCCCCCNCc1c(Cl)nc(Cl)n1C ZINC001202665414 1044451799 /nfs/dbraw/zinc/45/17/99/1044451799.db2.gz HCMLHMIULFICOK-UHFFFAOYSA-N 0 3 304.265 4.343 20 30 DIEDHN CN(C)[C@H](CNc1cc(Cl)ccc1C#N)c1ccc(F)cc1 ZINC000609894757 1044467066 /nfs/dbraw/zinc/46/70/66/1044467066.db2.gz PKRNDZCWMGERES-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN CN(CCCCC#N)Cc1ccc(Br)cc1Cl ZINC000362016348 1044469937 /nfs/dbraw/zinc/46/99/37/1044469937.db2.gz AHGHCYFDZJAJPO-UHFFFAOYSA-N 0 3 315.642 4.228 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000121384638 1044491314 /nfs/dbraw/zinc/49/13/14/1044491314.db2.gz VUFAQIOHSZAQRC-FQEVSTJZSA-N 0 3 306.409 4.198 20 30 DIEDHN CCc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041544556 1044502057 /nfs/dbraw/zinc/50/20/57/1044502057.db2.gz WVYDHKUHXHYFFB-MRXNPFEDSA-N 0 3 318.376 4.199 20 30 DIEDHN CC[C@@H](NCc1cnc2ccccc2c1)c1ccc(C#N)cc1 ZINC000566953921 1044529630 /nfs/dbraw/zinc/52/96/30/1044529630.db2.gz IHIOSMICRIPNMM-LJQANCHMSA-N 0 3 301.393 4.347 20 30 DIEDHN C=C(C)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444673585 1044599258 /nfs/dbraw/zinc/59/92/58/1044599258.db2.gz NERVVYUJNCMUSL-UHFFFAOYSA-N 0 3 304.437 4.394 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc(C2CC2)s1 ZINC000568371444 1044622198 /nfs/dbraw/zinc/62/21/98/1044622198.db2.gz DYGCNCPLDCBSFM-QGZVFWFLSA-N 0 3 309.438 4.059 20 30 DIEDHN CSc1ccc(CNCc2cc(C)sc2C)cc1C#N ZINC000886277088 1044629677 /nfs/dbraw/zinc/62/96/77/1044629677.db2.gz GNUGOLPTMIWZLL-UHFFFAOYSA-N 0 3 302.468 4.248 20 30 DIEDHN Cc1cc2cc(CN[C@H](C)c3ccc(C#N)c(F)c3)ccc2[nH]1 ZINC000568979634 1044664775 /nfs/dbraw/zinc/66/47/75/1044664775.db2.gz PWOQCMSCNLZLCE-CYBMUJFWSA-N 0 3 307.372 4.338 20 30 DIEDHN CC(C)(C#N)CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000364831614 1044679047 /nfs/dbraw/zinc/67/90/47/1044679047.db2.gz UWAGGVNKYFAJAA-LJQANCHMSA-N 0 3 307.441 4.481 20 30 DIEDHN CSc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1C#N ZINC000886690433 1044681571 /nfs/dbraw/zinc/68/15/71/1044681571.db2.gz WGDVOTULHHDBKB-KRWDZBQOSA-N 0 3 324.449 4.153 20 30 DIEDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(SC)c(C#N)c1 ZINC000886691311 1044681671 /nfs/dbraw/zinc/68/16/71/1044681671.db2.gz BBYOHCMGKKVRBT-SFHVURJKSA-N 0 3 324.449 4.066 20 30 DIEDHN CC[C@H](N[C@@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740775 1044700669 /nfs/dbraw/zinc/70/06/69/1044700669.db2.gz XULLJDODTPCMFA-RBUKOAKNSA-N 0 3 322.408 4.131 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000569884136 1044719056 /nfs/dbraw/zinc/71/90/56/1044719056.db2.gz NAFCRVOYMLWIAJ-LJQANCHMSA-N 0 3 312.388 4.289 20 30 DIEDHN Cc1cc(C)c(CN2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000367232428 1044733556 /nfs/dbraw/zinc/73/35/56/1044733556.db2.gz VNSXINPSAZGBIM-UHFFFAOYSA-N 0 3 319.452 4.064 20 30 DIEDHN C[C@H](CC(=O)Nc1ccccc1)N[C@@H](CCC#N)c1ccccc1 ZINC000123327742 1044784187 /nfs/dbraw/zinc/78/41/87/1044784187.db2.gz PQKUFDYKLQRHBD-APWZRJJASA-N 0 3 321.424 4.038 20 30 DIEDHN CC(C)[C@H](CC(F)(F)F)NCC#Cc1ccccc1Cl ZINC000445895447 1044846815 /nfs/dbraw/zinc/84/68/15/1044846815.db2.gz GLZPPXMIOUENBJ-AWEZNQCLSA-N 0 3 303.755 4.258 20 30 DIEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000264131495 1044853989 /nfs/dbraw/zinc/85/39/89/1044853989.db2.gz MRXMDCKRCOPHHI-IBGZPJMESA-N 0 3 310.372 4.065 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264386461 1044876930 /nfs/dbraw/zinc/87/69/30/1044876930.db2.gz QOYIEXMIGHZTJM-INIZCTEOSA-N 0 3 322.408 4.005 20 30 DIEDHN CC[C@H](N[C@@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209461 1044951259 /nfs/dbraw/zinc/95/12/59/1044951259.db2.gz WFYFONLPIFYMIH-DOTOQJQBSA-N 0 3 311.454 4.442 20 30 DIEDHN CCOc1cccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848274 1044976297 /nfs/dbraw/zinc/97/62/97/1044976297.db2.gz XXYFOVSJWQTNDO-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccc(CN(Cc2cc(C#N)cs2)C(C)(C)C)cc1 ZINC000576865080 1045084741 /nfs/dbraw/zinc/08/47/41/1045084741.db2.gz XOBSDUZKVBRWFQ-UHFFFAOYSA-N 0 3 314.454 4.429 20 30 DIEDHN Cc1ccsc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000577029329 1045096722 /nfs/dbraw/zinc/09/67/22/1045096722.db2.gz ZZBISYFPECPMTO-UHFFFAOYSA-N 0 3 310.344 4.237 20 30 DIEDHN CC(C)CC(=O)Nc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924786061 1045198694 /nfs/dbraw/zinc/19/86/94/1045198694.db2.gz BSSCXAVGZLPTMT-HNNXBMFYSA-N 0 3 315.461 4.089 20 30 DIEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1cc(C)ccc1OC ZINC000578012737 1045199143 /nfs/dbraw/zinc/19/91/43/1045199143.db2.gz WRQLBTFFXXVUAZ-LJQANCHMSA-N 0 3 308.425 4.311 20 30 DIEDHN C=CCOc1ccc(CN2CCCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000448369937 1045238737 /nfs/dbraw/zinc/23/87/37/1045238737.db2.gz DBQBPPNUOWJEQB-GDBMZVCRSA-N 0 3 323.864 4.030 20 30 DIEDHN COc1ccc(C(C)(C)NCc2ccc(C#N)c(C)c2)cc1F ZINC000527781614 1045259338 /nfs/dbraw/zinc/25/93/38/1045259338.db2.gz NSHBNXBIZYHKHW-UHFFFAOYSA-N 0 3 312.388 4.039 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000527935327 1045286757 /nfs/dbraw/zinc/28/67/57/1045286757.db2.gz LSDKBKWHFITIOL-OAHLLOKOSA-N 0 3 324.399 4.302 20 30 DIEDHN CC(C)COc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000579352826 1045308961 /nfs/dbraw/zinc/30/89/61/1045308961.db2.gz KLFLBVMNJQAYPO-UHFFFAOYSA-N 0 3 308.425 4.077 20 30 DIEDHN C=CCC1(NCc2ncc(Br)s2)CCCCC1 ZINC000449578029 1045416827 /nfs/dbraw/zinc/41/68/27/1045416827.db2.gz YUPKZNZPZFYUFH-UHFFFAOYSA-N 0 3 315.280 4.274 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cocc2C)cc1 ZINC000528921600 1045428854 /nfs/dbraw/zinc/42/88/54/1045428854.db2.gz YOKDRSLRYMJELU-MLGOLLRUSA-N 0 3 324.380 4.063 20 30 DIEDHN N#Cc1csc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000449692018 1045429005 /nfs/dbraw/zinc/42/90/05/1045429005.db2.gz ZQGDCQBFBMUCSS-DOTOQJQBSA-N 0 3 311.454 4.078 20 30 DIEDHN Cc1ccccc1C[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000528928861 1045429819 /nfs/dbraw/zinc/42/98/19/1045429819.db2.gz PNIDOOHEQUCCPL-ZBFHGGJFSA-N 0 3 318.376 4.191 20 30 DIEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000528928858 1045430193 /nfs/dbraw/zinc/43/01/93/1045430193.db2.gz PNIDOOHEQUCCPL-HOCLYGCPSA-N 0 3 318.376 4.191 20 30 DIEDHN Cc1ccccc1C[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000528928852 1045430356 /nfs/dbraw/zinc/43/03/56/1045430356.db2.gz PNIDOOHEQUCCPL-GDBMZVCRSA-N 0 3 318.376 4.191 20 30 DIEDHN Cc1cc(O)c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000751932608 1045642551 /nfs/dbraw/zinc/64/25/51/1045642551.db2.gz PQFAKRXXSGQZIM-UXHICEINSA-N 0 3 320.436 4.281 20 30 DIEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1[O-] ZINC000800989457 1045677497 /nfs/dbraw/zinc/67/74/97/1045677497.db2.gz DBQYIQUUSHSJNS-MRXNPFEDSA-N 0 3 300.789 4.158 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000800989927 1045678484 /nfs/dbraw/zinc/67/84/84/1045678484.db2.gz IVTPIVWLNDIEIU-AWEZNQCLSA-N 0 3 324.811 4.074 20 30 DIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000192150572 1045785731 /nfs/dbraw/zinc/78/57/31/1045785731.db2.gz TZTCPRBBWKNHAB-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN C=CC[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860061 1045812592 /nfs/dbraw/zinc/81/25/92/1045812592.db2.gz XZNFCHBOVIAUJK-ZWKOTPCHSA-N 0 3 300.352 4.254 20 30 DIEDHN CC(C)=CCN(CCO[C@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801953900 1045859269 /nfs/dbraw/zinc/85/92/69/1045859269.db2.gz YILJMUGBTRWJRK-OAHLLOKOSA-N 0 3 306.837 4.037 20 30 DIEDHN COc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)c(C#N)c1 ZINC001137704920 1045939340 /nfs/dbraw/zinc/93/93/40/1045939340.db2.gz ZNNLAWZNRVWUAV-GOSISDBHSA-N 0 3 320.436 4.337 20 30 DIEDHN CCCCCCCCC[C@H](C)OCCCN1CCN(C)CC1 ZINC001206596689 1045942043 /nfs/dbraw/zinc/94/20/43/1045942043.db2.gz QBAUHXKZFWBEAQ-IBGZPJMESA-N 0 3 312.542 4.170 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453247561 1046001406 /nfs/dbraw/zinc/00/14/06/1046001406.db2.gz NSVIEHSGOHHYSG-VQTJNVASSA-N 0 3 324.374 4.491 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000755601388 1046001680 /nfs/dbraw/zinc/00/16/80/1046001680.db2.gz GGYIRMPEPKZMFN-ZBFHGGJFSA-N 0 3 314.429 4.105 20 30 DIEDHN C#CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788940 1046006214 /nfs/dbraw/zinc/00/62/14/1046006214.db2.gz KESPAKZQKKRCNH-DLBZAZTESA-N 0 3 323.440 4.150 20 30 DIEDHN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000237589395 1046009151 /nfs/dbraw/zinc/00/91/51/1046009151.db2.gz YDYQXLHUPADLFW-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN C[C@@H](NCCc1ccc(Cl)cc1Cl)c1cc(C#N)ccn1 ZINC000902720850 1046049652 /nfs/dbraw/zinc/04/96/52/1046049652.db2.gz OOKDBXRXQBJWGT-LLVKDONJSA-N 0 3 320.223 4.153 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726419 1046050814 /nfs/dbraw/zinc/05/08/14/1046050814.db2.gz PCSHAVSAWKSVPS-KBXCAEBGSA-N 0 3 322.408 4.131 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731669 1046053310 /nfs/dbraw/zinc/05/33/10/1046053310.db2.gz NTWPXGQBGIVVCV-XOBRGWDASA-N 0 3 321.424 4.319 20 30 DIEDHN CCOCc1ccccc1CN[C@H](CC)c1cccc(C#N)c1 ZINC000902734363 1046054673 /nfs/dbraw/zinc/05/46/73/1046054673.db2.gz UMZSCAJVYCNWDO-HXUWFJFHSA-N 0 3 308.425 4.336 20 30 DIEDHN CC[C@H](NCc1ccc(N(CC)CC)nc1)c1cccc(C#N)c1 ZINC000902756775 1046063398 /nfs/dbraw/zinc/06/33/98/1046063398.db2.gz LPUDCCADLGNONO-IBGZPJMESA-N 0 3 322.456 4.040 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765972 1046064118 /nfs/dbraw/zinc/06/41/18/1046064118.db2.gz DHDJLYRIMVLXIM-ACJLOTCBSA-N 0 3 309.369 4.268 20 30 DIEDHN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826561 1046081570 /nfs/dbraw/zinc/08/15/70/1046081570.db2.gz FNOIJSGBZHJUML-HUUCEWRRSA-N 0 3 322.408 4.065 20 30 DIEDHN N#C[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079958 1046083652 /nfs/dbraw/zinc/08/36/52/1046083652.db2.gz IGQVCYUZTUYWGU-SFHVURJKSA-N 0 3 320.436 4.391 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079957 1046083709 /nfs/dbraw/zinc/08/37/09/1046083709.db2.gz IGQVCYUZTUYWGU-GOSISDBHSA-N 0 3 320.436 4.391 20 30 DIEDHN CC[C@@H](NCc1ccc(OC)c(Cl)c1)c1cccc(C#N)c1 ZINC000902880205 1046100337 /nfs/dbraw/zinc/10/03/37/1046100337.db2.gz FXDWPKLJLKEMPH-QGZVFWFLSA-N 0 3 314.816 4.461 20 30 DIEDHN C=CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccncc1 ZINC000756582940 1046104805 /nfs/dbraw/zinc/10/48/05/1046104805.db2.gz LMHBTXQHKKARMK-UHOFOFEASA-N 0 3 312.388 4.382 20 30 DIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 ZINC000902919613 1046114305 /nfs/dbraw/zinc/11/43/05/1046114305.db2.gz OAZOLIMQSKIWLU-IBGZPJMESA-N 0 3 301.393 4.160 20 30 DIEDHN CC[C@H](N[C@@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945858 1046121367 /nfs/dbraw/zinc/12/13/67/1046121367.db2.gz WLWMUPVQHBUPMP-DOTOQJQBSA-N 0 3 311.454 4.442 20 30 DIEDHN C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000756776878 1046131839 /nfs/dbraw/zinc/13/18/39/1046131839.db2.gz UGRPRWSOGGLAIB-XOKHGSTOSA-N 0 3 309.384 4.434 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccccc2)cc1OC ZINC001138345400 1046155041 /nfs/dbraw/zinc/15/50/41/1046155041.db2.gz FGTYVWLGSDNAOF-LJQANCHMSA-N 0 3 321.420 4.044 20 30 DIEDHN CC(=O)OCc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000903103567 1046164037 /nfs/dbraw/zinc/16/40/37/1046164037.db2.gz KABMKPBTLRSQGR-GJZGRUSLSA-N 0 3 322.408 4.033 20 30 DIEDHN C=CCN(Cc1c[nH]c2ccc(OC)cc12)Cc1ccccc1 ZINC001138510230 1046205957 /nfs/dbraw/zinc/20/59/57/1046205957.db2.gz TWVXKUBEAJAPFJ-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN COc1ccc(-c2ccc(CN3CCC(C)(C#N)CC3)cc2)cc1 ZINC001138518353 1046209700 /nfs/dbraw/zinc/20/97/00/1046209700.db2.gz ZBXBBQPICCJFHK-UHFFFAOYSA-N 0 3 320.436 4.488 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1C#N ZINC000087822516 1046211729 /nfs/dbraw/zinc/21/17/29/1046211729.db2.gz CZBMGMAVGDWAJA-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cccc(Cl)c2)cc1C#N ZINC000087822514 1046211807 /nfs/dbraw/zinc/21/18/07/1046211807.db2.gz CZBMGMAVGDWAJA-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001138556183 1046226648 /nfs/dbraw/zinc/22/66/48/1046226648.db2.gz JEWOJWZGQDVMIE-FQEVSTJZSA-N 0 3 309.384 4.175 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000831938098 1046228010 /nfs/dbraw/zinc/22/80/10/1046228010.db2.gz YEHLUIJWCXNMEH-IRXDYDNUSA-N 0 3 308.510 4.140 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1[O-] ZINC001138629447 1046247180 /nfs/dbraw/zinc/24/71/80/1046247180.db2.gz ZGPYIIGHKHJCDC-IBGZPJMESA-N 0 3 308.425 4.243 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1[O-] ZINC001138629447 1046247194 /nfs/dbraw/zinc/24/71/94/1046247194.db2.gz ZGPYIIGHKHJCDC-IBGZPJMESA-N 0 3 308.425 4.243 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903336538 1046247728 /nfs/dbraw/zinc/24/77/28/1046247728.db2.gz ZXTLDHZBZQOQSH-CTNGQTDRSA-N 0 3 317.436 4.462 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1[O-] ZINC001138629832 1046249838 /nfs/dbraw/zinc/24/98/38/1046249838.db2.gz IICRAMXOOHDMGR-HDICACEKSA-N 0 3 305.421 4.207 20 30 DIEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1[O-] ZINC001138629832 1046249848 /nfs/dbraw/zinc/24/98/48/1046249848.db2.gz IICRAMXOOHDMGR-HDICACEKSA-N 0 3 305.421 4.207 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1[O-] ZINC001138629666 1046249957 /nfs/dbraw/zinc/24/99/57/1046249957.db2.gz DZNAXOXSNVPDRZ-SFHVURJKSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1[O-] ZINC001138629666 1046249961 /nfs/dbraw/zinc/24/99/61/1046249961.db2.gz DZNAXOXSNVPDRZ-SFHVURJKSA-N 0 3 323.436 4.119 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1C ZINC000897417261 1046251572 /nfs/dbraw/zinc/25/15/72/1046251572.db2.gz HAQPWKPXNMFPEX-HZPDHXFCSA-N 0 3 324.424 4.145 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC(c2ccccn2)CC1 ZINC001138664886 1046259621 /nfs/dbraw/zinc/25/96/21/1046259621.db2.gz ZHHAXPWVLDRLOV-UHFFFAOYSA-N 0 3 322.452 4.416 20 30 DIEDHN CCCCCCCN(CC)Cc1ccnn1[C@H]1CCCCO1 ZINC001138780658 1046291364 /nfs/dbraw/zinc/29/13/64/1046291364.db2.gz YMDBQMBQDIKMFX-GOSISDBHSA-N 0 3 307.482 4.375 20 30 DIEDHN Cc1ccc(C2=CCN(CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000795386229 1046325035 /nfs/dbraw/zinc/32/50/35/1046325035.db2.gz NXDHWAMIVFSZER-UHFFFAOYSA-N 0 3 318.420 4.035 20 30 DIEDHN N#Cc1ccnc(CN[C@@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208373 1046422076 /nfs/dbraw/zinc/42/20/76/1046422076.db2.gz ONPYRMZTAGNENA-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN N#Cc1ccnc(CN[C@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208375 1046422366 /nfs/dbraw/zinc/42/23/66/1046422366.db2.gz ONPYRMZTAGNENA-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCCC(C)C)c1 ZINC000749025478 1046423192 /nfs/dbraw/zinc/42/31/92/1046423192.db2.gz GOKQQKNKVQYFLN-KRWDZBQOSA-N 0 3 314.429 4.249 20 30 DIEDHN C[C@H](C=Nn1cnnc1-c1ccccc1)CCc1ccccc1 ZINC000749158789 1046434982 /nfs/dbraw/zinc/43/49/82/1046434982.db2.gz RVUDIRRCNFOCPL-INIZCTEOSA-N 0 3 304.397 4.048 20 30 DIEDHN C[C@@]1(F)CCCCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401506 1046444003 /nfs/dbraw/zinc/44/40/03/1046444003.db2.gz AUIQELXDQHDVEW-HXUWFJFHSA-N 0 3 323.415 4.334 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC001139425906 1046449229 /nfs/dbraw/zinc/44/92/29/1046449229.db2.gz XYJIRWUVJHJFJT-CVEARBPZSA-N 0 3 321.424 4.366 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C2(CC2)C1 ZINC001139429511 1046451235 /nfs/dbraw/zinc/45/12/35/1046451235.db2.gz YXUKQBXWXMRUMT-HNNXBMFYSA-N 0 3 319.408 4.120 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccccn2)C2CCCCC2)cc1F ZINC001139529093 1046462757 /nfs/dbraw/zinc/46/27/57/1046462757.db2.gz JNPBAPFSZWYAJT-UHFFFAOYSA-N 0 3 323.415 4.427 20 30 DIEDHN COc1cccc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001139531251 1046464471 /nfs/dbraw/zinc/46/44/71/1046464471.db2.gz SKAZYEQWCXYOHK-GOSISDBHSA-N 0 3 324.399 4.086 20 30 DIEDHN C[C@H]1c2ccccc2CCN1Cc1c[nH]c2c1cccc2C#N ZINC001139701205 1046501229 /nfs/dbraw/zinc/50/12/29/1046501229.db2.gz CNSGHJVCTXIOEL-AWEZNQCLSA-N 0 3 301.393 4.159 20 30 DIEDHN N#Cc1cccc2c(CN3CCC4(CC[C@@H](F)C4)CC3)c[nH]c21 ZINC001139706289 1046502750 /nfs/dbraw/zinc/50/27/50/1046502750.db2.gz PVXQRSYKQAFCFT-MRXNPFEDSA-N 0 3 311.404 4.144 20 30 DIEDHN COc1cccc([C@H]2CCCN2Cc2ccc(C)c(C#N)c2)c1 ZINC001139725823 1046505865 /nfs/dbraw/zinc/50/58/65/1046505865.db2.gz DOGSRPZYRAFPPK-HXUWFJFHSA-N 0 3 306.409 4.212 20 30 DIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC001139726378 1046507651 /nfs/dbraw/zinc/50/76/51/1046507651.db2.gz LEAKNKZFNUKHOC-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN COc1cccc([C@@H]2CCCN(Cc3cc(F)cc(C#N)c3)C2)c1 ZINC001139878454 1046539686 /nfs/dbraw/zinc/53/96/86/1046539686.db2.gz MBIXKVUPLLLOIA-GOSISDBHSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001139879243 1046540846 /nfs/dbraw/zinc/54/08/46/1046540846.db2.gz HRVYPIAQFVBVDI-LJQANCHMSA-N 0 3 312.363 4.044 20 30 DIEDHN CCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccc1[O-] ZINC000092704983 1046558063 /nfs/dbraw/zinc/55/80/63/1046558063.db2.gz DNYJNFMPHSHKSG-INIZCTEOSA-N 0 3 324.424 4.095 20 30 DIEDHN CCC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccc1[O-] ZINC000092704983 1046558076 /nfs/dbraw/zinc/55/80/76/1046558076.db2.gz DNYJNFMPHSHKSG-INIZCTEOSA-N 0 3 324.424 4.095 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000642095248 1046561985 /nfs/dbraw/zinc/56/19/85/1046561985.db2.gz MXKYZLSPOPYAEU-CQSZACIVSA-N 0 3 320.502 4.270 20 30 DIEDHN C=C(Br)CNCc1cc(-c2ccccc2)ccc1O ZINC000729682264 1046575485 /nfs/dbraw/zinc/57/54/85/1046575485.db2.gz ZJDTWNDRAAQSBI-UHFFFAOYSA-N 0 3 318.214 4.057 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)cn1)c1cccc2ccccc21 ZINC000783300154 1046577521 /nfs/dbraw/zinc/57/75/21/1046577521.db2.gz IZOMGTJRPCDQDG-HXUWFJFHSA-N 0 3 301.393 4.347 20 30 DIEDHN N#Cc1ccc2[nH]cc(CN3CCC4(CC[C@H](F)C4)CC3)c2c1 ZINC001140116208 1046594398 /nfs/dbraw/zinc/59/43/98/1046594398.db2.gz VMNZBBAVJDDDSG-INIZCTEOSA-N 0 3 311.404 4.144 20 30 DIEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000245713791 1046631026 /nfs/dbraw/zinc/63/10/26/1046631026.db2.gz GLOBNBQIMXCDDF-UZLBHIALSA-N 0 3 321.424 4.018 20 30 DIEDHN CCOc1ccc2[nH]cc(CN(C)Cc3cccc(C#N)c3)c2c1 ZINC001140274612 1046635213 /nfs/dbraw/zinc/63/52/13/1046635213.db2.gz PJBYCPNGSDSRIT-UHFFFAOYSA-N 0 3 319.408 4.070 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(CC1CC1)C(C)C ZINC000533035682 1046642193 /nfs/dbraw/zinc/64/21/93/1046642193.db2.gz OFGGGYVDCFLNNB-UHFFFAOYSA-N 0 3 318.486 4.024 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](CC)c2ccncc2)c1 ZINC000834650641 1046645228 /nfs/dbraw/zinc/64/52/28/1046645228.db2.gz OQZCUKQTNJQSBB-IEBWSBKVSA-N 0 3 309.413 4.003 20 30 DIEDHN C=CCC(C)(C)CN[C@@H](C)c1nc(Br)cs1 ZINC000834811799 1046673484 /nfs/dbraw/zinc/67/34/84/1046673484.db2.gz XBVCELLMUKSSBN-VIFPVBQESA-N 0 3 303.269 4.159 20 30 DIEDHN C=CCC(C)(C)CN[C@H](C)c1nc(Br)cs1 ZINC000834811798 1046674569 /nfs/dbraw/zinc/67/45/69/1046674569.db2.gz XBVCELLMUKSSBN-SECBINFHSA-N 0 3 303.269 4.159 20 30 DIEDHN C#CC[C@@H](NCc1cc(C)c2ncccc2c1)c1ccccc1 ZINC000784588430 1046698150 /nfs/dbraw/zinc/69/81/50/1046698150.db2.gz MUAZAYGVNZTWTB-HXUWFJFHSA-N 0 3 300.405 4.397 20 30 DIEDHN C#Cc1cccc(CN[C@H]2CCCSc3ccc(OC)cc32)c1 ZINC000834902957 1046713404 /nfs/dbraw/zinc/71/34/04/1046713404.db2.gz MDFNPWSWTXGIGO-IBGZPJMESA-N 0 3 323.461 4.393 20 30 DIEDHN COc1cc(F)cc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001140484837 1046742310 /nfs/dbraw/zinc/74/23/10/1046742310.db2.gz WQKQTDWOOLSERH-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(C)nc(Cl)c1 ZINC000797590127 1046860294 /nfs/dbraw/zinc/86/02/94/1046860294.db2.gz YZFGPHMWLXDYGS-UHFFFAOYSA-N 0 3 313.832 4.327 20 30 DIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000076736109 1046866141 /nfs/dbraw/zinc/86/61/41/1046866141.db2.gz VGFXSCCDXPZSIQ-INIZCTEOSA-N 0 3 302.462 4.343 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000303171387 1046885280 /nfs/dbraw/zinc/88/52/80/1046885280.db2.gz JGQOPOQQEVGSNB-GOSISDBHSA-N 0 3 308.400 4.467 20 30 DIEDHN CN(CCc1cccc(Cl)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755061 1046889600 /nfs/dbraw/zinc/88/96/00/1046889600.db2.gz RWAWABJNTJHECN-UHFFFAOYSA-N 0 3 320.770 4.164 20 30 DIEDHN Cc1ccc2cc(CN[C@@H](C)c3cccc(C#N)c3)ccc2n1 ZINC000614992508 1046898968 /nfs/dbraw/zinc/89/89/68/1046898968.db2.gz BZWMDXSPIHETFV-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000614991427 1046899905 /nfs/dbraw/zinc/89/99/05/1046899905.db2.gz UWSLLOYHHDEZHR-LJQANCHMSA-N 0 3 305.425 4.124 20 30 DIEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264765 1046909343 /nfs/dbraw/zinc/90/93/43/1046909343.db2.gz KNANYTQXIXXDPA-IUCAKERBSA-N 0 3 308.636 4.234 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001140893856 1046944354 /nfs/dbraw/zinc/94/43/54/1046944354.db2.gz IWFKLUKCMKKUDT-UHFFFAOYSA-N 0 3 303.352 4.249 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941334 1046955074 /nfs/dbraw/zinc/95/50/74/1046955074.db2.gz GNADIZVGUMGWSF-OAHLLOKOSA-N 0 3 313.832 4.256 20 30 DIEDHN Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@@H](CC#N)C1 ZINC001140963720 1046964174 /nfs/dbraw/zinc/96/41/74/1046964174.db2.gz FLBPFNGAYXETAS-ZDUSSCGKSA-N 0 3 312.335 4.019 20 30 DIEDHN Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@H](C#N)CC1 ZINC001140963634 1046965254 /nfs/dbraw/zinc/96/52/54/1046965254.db2.gz BBLWXHZDVOKLEO-ZDUSSCGKSA-N 0 3 312.335 4.019 20 30 DIEDHN CCCCc1ncc(CN2CCC(C#Cc3ccccc3)CC2)[nH]1 ZINC001141073570 1046998688 /nfs/dbraw/zinc/99/86/88/1046998688.db2.gz HVRNDAKVGLPQRN-UHFFFAOYSA-N 0 3 321.468 4.016 20 30 DIEDHN N#C[C@H]1CCCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118429 1047019676 /nfs/dbraw/zinc/01/96/76/1047019676.db2.gz XZVLMFZMIFUDAQ-HNNXBMFYSA-N 0 3 309.388 4.013 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118430 1047019848 /nfs/dbraw/zinc/01/98/48/1047019848.db2.gz XZVLMFZMIFUDAQ-OAHLLOKOSA-N 0 3 309.388 4.013 20 30 DIEDHN CC(C)(C)SCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000097261617 1047029863 /nfs/dbraw/zinc/02/98/63/1047029863.db2.gz MDOKNJVWMDZGTA-SNVBAGLBSA-N 0 3 304.440 4.004 20 30 DIEDHN C[C@H](NCC1CCC(C#N)CC1)c1ncc(-c2ccccc2)o1 ZINC000799598616 1047046197 /nfs/dbraw/zinc/04/61/97/1047046197.db2.gz YSTCKYOHZGJSFN-FHERZECASA-N 0 3 309.413 4.322 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141208611 1047047086 /nfs/dbraw/zinc/04/70/86/1047047086.db2.gz IOBSDTGJDISUAO-QIDUDWOJSA-N 0 3 321.399 4.154 20 30 DIEDHN C=CC[C@H](N[C@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719334 1047054762 /nfs/dbraw/zinc/05/47/62/1047054762.db2.gz ZSQQCJARUNTWMW-OALUTQOASA-N 0 3 308.425 4.375 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720137 1047054843 /nfs/dbraw/zinc/05/48/43/1047054843.db2.gz BNZQGKOFKNHVLC-VQTJNVASSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720136 1047055760 /nfs/dbraw/zinc/05/57/60/1047055760.db2.gz BNZQGKOFKNHVLC-UXHICEINSA-N 0 3 305.421 4.427 20 30 DIEDHN C=CCCCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000649254668 1047120098 /nfs/dbraw/zinc/12/00/98/1047120098.db2.gz HVQVMKOJISJQQT-PHIMTYICSA-N 0 3 303.290 4.405 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3C)o2)C1 ZINC001116554685 1047156072 /nfs/dbraw/zinc/15/60/72/1047156072.db2.gz AZXWAJUIWZIHDL-MRXNPFEDSA-N 0 3 315.388 4.171 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Nc2ccccc2)CC1 ZINC001116735306 1047173140 /nfs/dbraw/zinc/17/31/40/1047173140.db2.gz STRJCZOKYPGUPY-MRXNPFEDSA-N 0 3 305.425 4.196 20 30 DIEDHN N#Cc1ccc(C2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000897589277 1047212885 /nfs/dbraw/zinc/21/28/85/1047212885.db2.gz VPNYITBDZONDGH-UHFFFAOYSA-N 0 3 323.465 4.272 20 30 DIEDHN CCCN(Cc1cc(C#N)ccc1Br)[C@@H](C)CC ZINC001141654568 1047248229 /nfs/dbraw/zinc/24/82/29/1047248229.db2.gz CPJNHPNDHRFVDF-LBPRGKRZSA-N 0 3 309.251 4.331 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000897628899 1047251058 /nfs/dbraw/zinc/25/10/58/1047251058.db2.gz OQLJREUTMNBUNY-ZFWWWQNUSA-N 0 3 317.845 4.094 20 30 DIEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000683007155 1047253656 /nfs/dbraw/zinc/25/36/56/1047253656.db2.gz YLSIKFKSQGRRFU-VXKWHMMOSA-N 0 3 319.448 4.138 20 30 DIEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000683007156 1047256517 /nfs/dbraw/zinc/25/65/17/1047256517.db2.gz YLSIKFKSQGRRFU-YADHBBJMSA-N 0 3 319.448 4.138 20 30 DIEDHN N#CCC1CCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141977339 1047325953 /nfs/dbraw/zinc/32/59/53/1047325953.db2.gz BNYGYEYIRVJVMA-UHFFFAOYSA-N 0 3 320.461 4.274 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000898325622 1047338165 /nfs/dbraw/zinc/33/81/65/1047338165.db2.gz QBEUOZKHTDYUGE-FQEVSTJZSA-N 0 3 321.424 4.005 20 30 DIEDHN COc1ccc(CN2CCC(c3cccc(F)c3)CC2)cc1C#N ZINC000749522697 1047424234 /nfs/dbraw/zinc/42/42/34/1047424234.db2.gz GBVDLWKXGXODPL-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000841744786 1047448163 /nfs/dbraw/zinc/44/81/63/1047448163.db2.gz LOMOUGTZVXLUGE-LJQANCHMSA-N 0 3 321.380 4.024 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2nc(Cl)ccc21 ZINC000841763401 1047454665 /nfs/dbraw/zinc/45/46/65/1047454665.db2.gz XDOLNWKIKUCPRC-DLBZAZTESA-N 0 3 323.827 4.261 20 30 DIEDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000841761241 1047454797 /nfs/dbraw/zinc/45/47/97/1047454797.db2.gz HVOOAVALKBIHKY-LIRRHRJNSA-N 0 3 306.409 4.301 20 30 DIEDHN Cn1cc2c(cccc2CN(CCC#N)C2CCCCCCC2)n1 ZINC001142456490 1047456883 /nfs/dbraw/zinc/45/68/83/1047456883.db2.gz MNKURBQNBXTBOP-UHFFFAOYSA-N 0 3 324.472 4.402 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000119882817 1047477243 /nfs/dbraw/zinc/47/72/43/1047477243.db2.gz WHHSTCQUUYJGJR-ZDUSSCGKSA-N 0 3 303.352 4.380 20 30 DIEDHN Cc1ccccc1C1(NCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000842732967 1047500893 /nfs/dbraw/zinc/50/08/93/1047500893.db2.gz RJVIPZRAFCSZFI-MRXNPFEDSA-N 0 3 306.409 4.065 20 30 DIEDHN COc1ccccc1[C@@H](C)N(C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922799 1047514629 /nfs/dbraw/zinc/51/46/29/1047514629.db2.gz WIYBESYVCTXUHJ-CQSZACIVSA-N 0 3 319.408 4.241 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2C2CCCCC2)c1F ZINC001143173608 1047537663 /nfs/dbraw/zinc/53/76/63/1047537663.db2.gz AAWURTQCTOAMLJ-KRWDZBQOSA-N 0 3 304.384 4.381 20 30 DIEDHN C=CCOc1ccccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000092788691 1047539047 /nfs/dbraw/zinc/53/90/47/1047539047.db2.gz JRKSNYKCZKWIOF-MRXNPFEDSA-N 0 3 314.454 4.088 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1 ZINC000093845392 1047552932 /nfs/dbraw/zinc/55/29/32/1047552932.db2.gz UMFWOLPLTBNMQU-OXJNMPFZSA-N 0 3 323.440 4.043 20 30 DIEDHN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000926899105 1047572631 /nfs/dbraw/zinc/57/26/31/1047572631.db2.gz USLVEXDBQIFTKG-LSDHHAIUSA-N 0 3 312.388 4.448 20 30 DIEDHN C=CCCC[C@H](C)N[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407665 1047676085 /nfs/dbraw/zinc/67/60/85/1047676085.db2.gz IZBGYLRUWNLSBI-KBPBESRZSA-N 0 3 316.424 4.110 20 30 DIEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297493 1047745506 /nfs/dbraw/zinc/74/55/06/1047745506.db2.gz FANLRDNYTCSRHI-UWVGGRQHSA-N 0 3 322.663 4.482 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2OC2(CCC2)C1 ZINC001197683171 1047867831 /nfs/dbraw/zinc/86/78/31/1047867831.db2.gz UDPFOVULPZTCAS-INIZCTEOSA-N 0 3 318.420 4.437 20 30 DIEDHN N#CC1(CN[C@@H]2CCc3cccc(Cl)c3C2)CCCCC1 ZINC001182929821 1047870687 /nfs/dbraw/zinc/87/06/87/1047870687.db2.gz LDJLQMRJOQUHBJ-OAHLLOKOSA-N 0 3 302.849 4.261 20 30 DIEDHN C#CC[C@H]1CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001197701480 1047871121 /nfs/dbraw/zinc/87/11/21/1047871121.db2.gz JVICUFREXNYPJB-ZDUSSCGKSA-N 0 3 316.857 4.309 20 30 DIEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775833728 1047941765 /nfs/dbraw/zinc/94/17/65/1047941765.db2.gz KZFBEPXOYZDVFS-OAHLLOKOSA-N 0 3 312.844 4.108 20 30 DIEDHN CC1(C)C[C@@H](c2ccccc2)CN1Cc1ccc(F)cc1C#N ZINC001198281013 1047941844 /nfs/dbraw/zinc/94/18/44/1047941844.db2.gz ZXVGANRLPAUUGV-GOSISDBHSA-N 0 3 308.400 4.465 20 30 DIEDHN CC(C)(N[C@@H]1CCc2c1cccc2C#N)c1ccnc(Cl)c1 ZINC001159919202 1047950223 /nfs/dbraw/zinc/95/02/23/1047950223.db2.gz UPNCLOXSCBBSSH-MRXNPFEDSA-N 0 3 311.816 4.119 20 30 DIEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001198457686 1047959140 /nfs/dbraw/zinc/95/91/40/1047959140.db2.gz HVUBTXKEPDMTSD-AWEZNQCLSA-N 0 3 308.853 4.264 20 30 DIEDHN Cc1ccc(CN[C@@H](C)c2nccc3ccccc32)cc1C#N ZINC001183755118 1047965051 /nfs/dbraw/zinc/96/50/51/1047965051.db2.gz PBTBNLKKXCDTTJ-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN N#Cc1cnc2cc[nH]c(NC(=N)c3cccc4ccccc43)c1-2 ZINC001160504046 1048062197 /nfs/dbraw/zinc/06/21/97/1048062197.db2.gz JEDSTCHXFMAAMR-UHFFFAOYSA-N 0 3 311.348 4.025 20 30 DIEDHN C[C@@H]1CCCCN1Cc1ccc(N[C@@H](C#N)c2ccccc2)nc1 ZINC001161718300 1048158877 /nfs/dbraw/zinc/15/88/77/1048158877.db2.gz UIKGCQHZFWNEHX-APWZRJJASA-N 0 3 320.440 4.133 20 30 DIEDHN CCN(CC)[C@@H](CNc1cc(C)cc(F)c1C#N)c1ccco1 ZINC001162308117 1048258767 /nfs/dbraw/zinc/25/87/67/1048258767.db2.gz OJJLVHBTZVWNGB-KRWDZBQOSA-N 0 3 315.392 4.094 20 30 DIEDHN CCCCCCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC001201631088 1048327409 /nfs/dbraw/zinc/32/74/09/1048327409.db2.gz LTSDSUCPWOODOF-HXUWFJFHSA-N 0 3 324.553 4.314 20 30 DIEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Br ZINC000481265381 1048346778 /nfs/dbraw/zinc/34/67/78/1048346778.db2.gz AWYJAEBMZVHMNL-FZMZJTMJSA-N 0 3 307.235 4.084 20 30 DIEDHN N#Cc1c(Cl)cccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506815 1048347161 /nfs/dbraw/zinc/34/71/61/1048347161.db2.gz OAYPCGJHUHJOKG-UHFFFAOYSA-N 0 3 323.827 4.413 20 30 DIEDHN C[C@]1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCS1 ZINC000600121497 1048368590 /nfs/dbraw/zinc/36/85/90/1048368590.db2.gz VFHXGRXUCQYJLS-FGTMMUONSA-N 0 3 300.471 4.044 20 30 DIEDHN C=CCOCc1ncn2c1CN(CCCCCCCC)CCC2 ZINC001201814436 1048376844 /nfs/dbraw/zinc/37/68/44/1048376844.db2.gz PEASXGRTUNFZMH-UHFFFAOYSA-N 0 3 319.493 4.152 20 30 DIEDHN CCCCCCCCCN1CCCN(C(=O)c2ccco2)CC1 ZINC001201847672 1048389841 /nfs/dbraw/zinc/38/98/41/1048389841.db2.gz YMISLVHZOHJCEX-UHFFFAOYSA-N 0 3 320.477 4.178 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 ZINC000555709346 1048425600 /nfs/dbraw/zinc/42/56/00/1048425600.db2.gz XRMDYEJLIMITCU-KRWDZBQOSA-N 0 3 312.457 4.246 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001202093169 1048448220 /nfs/dbraw/zinc/44/82/20/1048448220.db2.gz SCMRTFCCJWGMGT-SFHVURJKSA-N 0 3 301.817 4.298 20 30 DIEDHN C=C[C@H](COC)NC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001202094057 1048449557 /nfs/dbraw/zinc/44/95/57/1048449557.db2.gz ZLTDJXUKGJLCDJ-JRMCHAMMSA-N 0 3 323.436 4.069 20 30 DIEDHN N#CCCc1ccc(NC(=N)c2ccc(C(F)(F)F)cc2)cc1 ZINC001163680522 1048503984 /nfs/dbraw/zinc/50/39/84/1048503984.db2.gz QIWVVTJSBFUTII-UHFFFAOYSA-N 0 3 317.314 4.199 20 30 DIEDHN N=C(Nc1cccc2c1CC=C2)c1ccc(C(F)(F)F)cc1 ZINC001163684455 1048504278 /nfs/dbraw/zinc/50/42/78/1048504278.db2.gz XZRYJXMSRLPKHF-UHFFFAOYSA-N 0 3 302.299 4.312 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3c(c2)CCCC3)cc1 ZINC001202365358 1048532971 /nfs/dbraw/zinc/53/29/71/1048532971.db2.gz CEEHJHSWEQUCFK-UHFFFAOYSA-N 0 3 307.437 4.420 20 30 DIEDHN C#Cc1ccc(CNCc2cc(Cl)cc3cccnc32)cc1 ZINC001202475554 1048600432 /nfs/dbraw/zinc/60/04/32/1048600432.db2.gz XYVFOPLETJCGQV-UHFFFAOYSA-N 0 3 306.796 4.159 20 30 DIEDHN Cc1ccc(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)o1 ZINC000775227392 1048605100 /nfs/dbraw/zinc/60/51/00/1048605100.db2.gz OXSPHBCOMRFBEI-HNNXBMFYSA-N 0 3 322.389 4.131 20 30 DIEDHN C=CCC[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000159897222 1048606861 /nfs/dbraw/zinc/60/68/61/1048606861.db2.gz SKUAERJGGXVECJ-FQEVSTJZSA-N 0 3 322.452 4.186 20 30 DIEDHN CC(C)(NCc1ccc2c(c1)CC(C)(C)O2)c1cccc(C#N)c1 ZINC000850354818 1048635852 /nfs/dbraw/zinc/63/58/52/1048635852.db2.gz AUMPYMDTLFPHFB-UHFFFAOYSA-N 0 3 320.436 4.297 20 30 DIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCO2 ZINC000850451433 1048662246 /nfs/dbraw/zinc/66/22/46/1048662246.db2.gz ADHIZQIUNIISOW-OAHLLOKOSA-N 0 3 318.420 4.223 20 30 DIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466932 1048667845 /nfs/dbraw/zinc/66/78/45/1048667845.db2.gz YEPNDDHOAAGERM-VBKZILBWSA-N 0 3 318.420 4.221 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@H](O)c2ccccc21 ZINC000850524761 1048679088 /nfs/dbraw/zinc/67/90/88/1048679088.db2.gz DGEOOMAHIYUJSD-ACRUOGEOSA-N 0 3 318.420 4.094 20 30 DIEDHN N#CC(C(=O)CC1(C#N)CCCCC1)c1ccc2ccccc2n1 ZINC000850740976 1048705042 /nfs/dbraw/zinc/70/50/42/1048705042.db2.gz CKRZFWHPPNMPNV-INIZCTEOSA-N 0 3 317.392 4.275 20 30 DIEDHN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)c1ccc2ccccc2n1 ZINC000850741239 1048705891 /nfs/dbraw/zinc/70/58/91/1048705891.db2.gz HNJBUDRTKOYEFG-JKSUJKDBSA-N 0 3 304.393 4.381 20 30 DIEDHN CC(C)(Nc1ccncc1-c1ccccc1)c1ccc(C#N)cc1 ZINC001165761030 1048716726 /nfs/dbraw/zinc/71/67/26/1048716726.db2.gz QRAZAEOWDDVPKK-UHFFFAOYSA-N 0 3 313.404 4.389 20 30 DIEDHN C#CCN(CCC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 ZINC001190527128 1048749210 /nfs/dbraw/zinc/74/92/10/1048749210.db2.gz DPQRBQDQECVPMB-FQEVSTJZSA-N 0 3 306.453 4.473 20 30 DIEDHN C=CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393062 1048749933 /nfs/dbraw/zinc/74/99/33/1048749933.db2.gz KOOTXTULXRVLCH-WOJBJXKFSA-N 0 3 303.409 4.238 20 30 DIEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483193717 1048752898 /nfs/dbraw/zinc/75/28/98/1048752898.db2.gz HVOHRGJSHJWPRT-KRWDZBQOSA-N 0 3 304.324 4.172 20 30 DIEDHN C#CCN(Cc1oc(-c2ccccc2)nc1C)C1CCCCC1 ZINC001190706589 1048775794 /nfs/dbraw/zinc/77/57/94/1048775794.db2.gz AEXUAYAAEUPRCY-UHFFFAOYSA-N 0 3 308.425 4.418 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413797 1048788379 /nfs/dbraw/zinc/78/83/79/1048788379.db2.gz BUAWFZZAIKSGBQ-RTWAWAEBSA-N 0 3 300.405 4.290 20 30 DIEDHN FCCC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(Cl)cc1 ZINC001176809194 1048792260 /nfs/dbraw/zinc/79/22/60/1048792260.db2.gz ZUVAPYPATXFQHA-ZNXRZULTSA-N 0 3 305.824 4.294 20 30 DIEDHN C[C@H]1CCC[C@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864221 1048796337 /nfs/dbraw/zinc/79/63/37/1048796337.db2.gz FJHFTFSRFZGTHV-KBPBESRZSA-N 0 3 311.347 4.200 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097060 1048820145 /nfs/dbraw/zinc/82/01/45/1048820145.db2.gz BUQJMTMBUWGFTI-FOIQADDNSA-N 0 3 324.424 4.113 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCSC[C@@H]1c1ccccc1 ZINC001191038194 1048827503 /nfs/dbraw/zinc/82/75/03/1048827503.db2.gz GJAQRNYVPPXJQZ-HXUWFJFHSA-N 0 3 322.477 4.465 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000852302953 1048832471 /nfs/dbraw/zinc/83/24/71/1048832471.db2.gz ITMBOGVMSUYWMC-XJKSGUPXSA-N 0 3 315.392 4.100 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(F)c2)o1 ZINC000852302951 1048832637 /nfs/dbraw/zinc/83/26/37/1048832637.db2.gz ITMBOGVMSUYWMC-CJNGLKHVSA-N 0 3 315.392 4.100 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@H](OC(C)(C)C)C2)c([O-])c1 ZINC000852998866 1048866553 /nfs/dbraw/zinc/86/65/53/1048866553.db2.gz SNXPFOTUDDBBHJ-DYGDLRNOSA-N 0 3 318.461 4.003 20 30 DIEDHN C=CCCCCCN(C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001191134280 1048875201 /nfs/dbraw/zinc/87/52/01/1048875201.db2.gz XRJAFSKNGJRVRR-KRWDZBQOSA-N 0 3 320.864 4.124 20 30 DIEDHN C#CC1(NCc2cc3cc(Br)ccc3o2)CCCC1 ZINC001203471920 1048909638 /nfs/dbraw/zinc/90/96/38/1048909638.db2.gz QFMNHYVTCSNFFP-UHFFFAOYSA-N 0 3 318.214 4.231 20 30 DIEDHN C=CCN(Cc1cc(OC)c(OC)cc1OC)C1CCCCC1 ZINC001203502462 1048913616 /nfs/dbraw/zinc/91/36/16/1048913616.db2.gz XJMCOOPSEVERRN-UHFFFAOYSA-N 0 3 319.445 4.033 20 30 DIEDHN C#CCN(CC)Cc1cc(Br)c2ccccc2c1 ZINC001191391042 1048933671 /nfs/dbraw/zinc/93/36/71/1048933671.db2.gz UTXHJHUZSXYARN-UHFFFAOYSA-N 0 3 302.215 4.057 20 30 DIEDHN Cc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1C#N ZINC001203640030 1048944127 /nfs/dbraw/zinc/94/41/27/1048944127.db2.gz ZCOHLCVFUKBTBD-UHFFFAOYSA-N 0 3 320.314 4.055 20 30 DIEDHN CSc1ccc(CNCc2c(C)cc(C)cc2C)cc1C#N ZINC001203672394 1048957113 /nfs/dbraw/zinc/95/71/13/1048957113.db2.gz JXCGYEMQXHIIIW-UHFFFAOYSA-N 0 3 310.466 4.495 20 30 DIEDHN N#Cc1cccc(CN(Cc2ccccn2)C2CCCCC2)c1 ZINC001203764396 1048993066 /nfs/dbraw/zinc/99/30/66/1048993066.db2.gz OCUZAHDENDHOJY-UHFFFAOYSA-N 0 3 305.425 4.288 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@H]1C1CCCC1 ZINC001204088824 1049081179 /nfs/dbraw/zinc/08/11/79/1049081179.db2.gz HNGXKRYQMLNXRZ-HOTGVXAUSA-N 0 3 317.860 4.268 20 30 DIEDHN C[C@@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(OCC#N)cc1 ZINC000776895787 1049101507 /nfs/dbraw/zinc/10/15/07/1049101507.db2.gz DVXLSQMFVTUSRG-OAHLLOKOSA-N 0 3 324.399 4.458 20 30 DIEDHN CCc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001204173561 1049104315 /nfs/dbraw/zinc/10/43/15/1049104315.db2.gz CMDJYTQXXQIZKW-UHFFFAOYSA-N 0 3 304.437 4.306 20 30 DIEDHN COc1cccc([C@H]2C[C@H](C)CN2CC#Cc2ccc(F)cc2)c1 ZINC001192500154 1049111177 /nfs/dbraw/zinc/11/11/77/1049111177.db2.gz HKBGDXULYPOCNN-HRAATJIYSA-N 0 3 323.411 4.269 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@H]2c2ccc(C)nc2)cc1 ZINC001204303914 1049134696 /nfs/dbraw/zinc/13/46/96/1049134696.db2.gz SOXUCMOTDFCGSR-FQEVSTJZSA-N 0 3 308.425 4.292 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756973 1049138287 /nfs/dbraw/zinc/13/82/87/1049138287.db2.gz KEQZRPKGGSNLII-HOTGVXAUSA-N 0 3 315.457 4.469 20 30 DIEDHN C#CC[C@@H](NCc1ccc(F)c2cccnc12)c1ccccc1 ZINC001192791931 1049141439 /nfs/dbraw/zinc/14/14/39/1049141439.db2.gz NPJRAMSLBZDMLE-LJQANCHMSA-N 0 3 304.368 4.228 20 30 DIEDHN C#CC[C@H](NCc1ccc(F)c2cccnc12)c1ccccc1 ZINC001192791930 1049141577 /nfs/dbraw/zinc/14/15/77/1049141577.db2.gz NPJRAMSLBZDMLE-IBGZPJMESA-N 0 3 304.368 4.228 20 30 DIEDHN CSc1ccc(CNCc2cc(F)ccc2C)cc1C#N ZINC001179584676 1049186005 /nfs/dbraw/zinc/18/60/05/1049186005.db2.gz WBMVCFNAUXEIGA-UHFFFAOYSA-N 0 3 300.402 4.018 20 30 DIEDHN Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c([O-])c1 ZINC001204697015 1049229022 /nfs/dbraw/zinc/22/90/22/1049229022.db2.gz JEPFIERIBMHTAP-UHFFFAOYSA-N 0 3 308.425 4.231 20 30 DIEDHN Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c([O-])c1 ZINC001204697015 1049229034 /nfs/dbraw/zinc/22/90/34/1049229034.db2.gz JEPFIERIBMHTAP-UHFFFAOYSA-N 0 3 308.425 4.231 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239914 1049230034 /nfs/dbraw/zinc/23/00/34/1049230034.db2.gz ZIBUMOZZEHTWQE-OAQYLSRUSA-N 0 3 320.436 4.115 20 30 DIEDHN C=CCN(C/C=C\c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC001179997641 1049246191 /nfs/dbraw/zinc/24/61/91/1049246191.db2.gz REHCMQPIHMZHFX-FLIBITNWSA-N 0 3 306.453 4.454 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1c(C)nn(C(C)C)c1C ZINC001204900153 1049305589 /nfs/dbraw/zinc/30/55/89/1049305589.db2.gz WTSWHSMUCJMMED-UHFFFAOYSA-N 0 3 311.473 4.312 20 30 DIEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC001194155202 1049331016 /nfs/dbraw/zinc/33/10/16/1049331016.db2.gz ZRFBQGKDISESRC-BEFAXECRSA-N 0 3 306.409 4.150 20 30 DIEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001194155211 1049331605 /nfs/dbraw/zinc/33/16/05/1049331605.db2.gz ZRFBQGKDISESRC-HNAYVOBHSA-N 0 3 306.409 4.150 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)ccc1F ZINC001205192849 1049407661 /nfs/dbraw/zinc/40/76/61/1049407661.db2.gz HOCOFOGMPFCVER-LJQANCHMSA-N 0 3 324.399 4.049 20 30 DIEDHN CCCCCCC[C@H](C)C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001181132635 1049444834 /nfs/dbraw/zinc/44/48/34/1049444834.db2.gz GKPWHMOASAHLIN-HNNXBMFYSA-N 0 3 315.461 4.218 20 30 DIEDHN CCCCCCC[C@H](C)C(=O)NCCc1c[nH]c2ccncc12 ZINC001181132635 1049444839 /nfs/dbraw/zinc/44/48/39/1049444839.db2.gz GKPWHMOASAHLIN-HNNXBMFYSA-N 0 3 315.461 4.218 20 30 DIEDHN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(C#N)cc1C ZINC000588216083 1049448672 /nfs/dbraw/zinc/44/86/72/1049448672.db2.gz LFVNHZPAOHYERV-LJQANCHMSA-N 0 3 308.425 4.458 20 30 DIEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@H](C)c1ccccc1 ZINC000486726277 1049461113 /nfs/dbraw/zinc/46/11/13/1049461113.db2.gz BFDAXNDSBHTXKK-QGZVFWFLSA-N 0 3 308.425 4.076 20 30 DIEDHN CCCCC[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000486795513 1049474484 /nfs/dbraw/zinc/47/44/84/1049474484.db2.gz HLNVWVKZSJYMEH-QGZVFWFLSA-N 0 3 324.428 4.153 20 30 DIEDHN CCCCC[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000486803841 1049478481 /nfs/dbraw/zinc/47/84/81/1049478481.db2.gz XEKWWZSJQYAEAM-QGZVFWFLSA-N 0 3 324.428 4.153 20 30 DIEDHN C#C[C@@H](C)NCc1ccc(-c2ccccc2Br)cc1 ZINC001181647009 1049498701 /nfs/dbraw/zinc/49/87/01/1049498701.db2.gz SHKRKCIYBIWYAZ-CYBMUJFWSA-N 0 3 314.226 4.227 20 30 DIEDHN COc1cc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)ccc1C#N ZINC000569630231 1049507860 /nfs/dbraw/zinc/50/78/60/1049507860.db2.gz WNRLNRIKLSMYDC-FQEVSTJZSA-N 0 3 324.399 4.255 20 30 DIEDHN C#Cc1ccc(CN(C)[C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC001205608838 1049510232 /nfs/dbraw/zinc/51/02/32/1049510232.db2.gz LDRZULGYSXTNNK-IBGZPJMESA-N 0 3 313.828 4.141 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2cc3cnccc3o2)cc1 ZINC001205753086 1049554234 /nfs/dbraw/zinc/55/42/34/1049554234.db2.gz SAXBRDNNGWMAOO-CQSZACIVSA-N 0 3 308.381 4.243 20 30 DIEDHN C#C[C@H](NC[C@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020876 1049564026 /nfs/dbraw/zinc/56/40/26/1049564026.db2.gz OPATZHIQXCLNJO-SGTLLEGYSA-N 0 3 303.327 4.172 20 30 DIEDHN Cc1cc(CN[C@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000488129246 1049603559 /nfs/dbraw/zinc/60/35/59/1049603559.db2.gz NPLLVUHTLNMGLZ-QGZVFWFLSA-N 0 3 319.452 4.318 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000488129245 1049603775 /nfs/dbraw/zinc/60/37/75/1049603775.db2.gz NPLLVUHTLNMGLZ-KRWDZBQOSA-N 0 3 319.452 4.318 20 30 DIEDHN C#C[C@H](N[C@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974134 1049614984 /nfs/dbraw/zinc/61/49/84/1049614984.db2.gz MGIJXRUKAXVHNR-ACJLOTCBSA-N 0 3 301.792 4.374 20 30 DIEDHN C#C[C@@H](N[C@@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988667 1049620943 /nfs/dbraw/zinc/62/09/43/1049620943.db2.gz HUUGGKGOZZVHPN-HZPDHXFCSA-N 0 3 304.231 4.212 20 30 DIEDHN CC(C)P(CCNC(=S)Nc1ccccc1C#N)C(C)C ZINC001196350351 1049644705 /nfs/dbraw/zinc/64/47/05/1049644705.db2.gz GAQBTXXAMMRLQU-UHFFFAOYSA-N 0 3 321.430 4.143 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001206094284 1049651530 /nfs/dbraw/zinc/65/15/30/1049651530.db2.gz FFHRZJLZITWRBI-UHFFFAOYSA-N 0 3 311.429 4.143 20 30 DIEDHN C=C(C)[C@H](NC[C@@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723830 1049665446 /nfs/dbraw/zinc/66/54/46/1049665446.db2.gz NWDLDOYBIUOSKE-MOPGFXCFSA-N 0 3 317.379 4.214 20 30 DIEDHN N#Cc1cccc(CN2CCCSC[C@H]2c2ccccc2)c1 ZINC001197368591 1049749094 /nfs/dbraw/zinc/74/90/94/1049749094.db2.gz IXYWKNJYVHHRBK-IBGZPJMESA-N 0 3 308.450 4.238 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924931 1049751198 /nfs/dbraw/zinc/75/11/98/1049751198.db2.gz XUNIBKMXBMVPRM-OAHLLOKOSA-N 0 3 324.424 4.061 20 30 DIEDHN C[C@@H]1c2sccc2CCN1CCCOc1ccc(C#N)cc1 ZINC001197431111 1049753035 /nfs/dbraw/zinc/75/30/35/1049753035.db2.gz BVZOZQGRWDCCAO-CQSZACIVSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@]1(C#N)CCN(CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001206744260 1049790822 /nfs/dbraw/zinc/79/08/22/1049790822.db2.gz XLCJHIYFCFZFDR-JOCHJYFZSA-N 0 3 318.464 4.324 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2sc(C)cc2Br)C1 ZINC001206800434 1049801486 /nfs/dbraw/zinc/80/14/86/1049801486.db2.gz KPTSSMQMYDDHMH-LLVKDONJSA-N 0 3 300.265 4.217 20 30 DIEDHN C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC001207894192 1049950454 /nfs/dbraw/zinc/95/04/54/1049950454.db2.gz CWAUSCBRSHVIGE-UTKZUKDTSA-N 0 3 320.436 4.300 20 30 DIEDHN C=CCCCCCCCCCN1CCOC2(CCOCC2)C1 ZINC001207900117 1049952448 /nfs/dbraw/zinc/95/24/48/1049952448.db2.gz UTKPKKMMRISIIV-UHFFFAOYSA-N 0 3 309.494 4.175 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001208179230 1049982803 /nfs/dbraw/zinc/98/28/03/1049982803.db2.gz STHDUKBUFCIFTN-HSALFYBXSA-N 0 3 320.496 4.187 20 30 DIEDHN N#Cc1cccc(CCCN2CCc3cc(Cl)ccc3C2)c1 ZINC001208850855 1050016680 /nfs/dbraw/zinc/01/66/80/1050016680.db2.gz LGOCZZWTLNLPQO-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc32)c(C(F)(F)F)c1 ZINC000589310102 1050028023 /nfs/dbraw/zinc/02/80/23/1050028023.db2.gz FOAXSLRFAFDLHP-QGZVFWFLSA-N 0 3 316.326 4.354 20 30 DIEDHN CSc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000589317460 1050029353 /nfs/dbraw/zinc/02/93/53/1050029353.db2.gz LTPBOJOBJMGWMJ-HNNXBMFYSA-N 0 3 300.452 4.119 20 30 DIEDHN C=CCCCCCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001209435252 1050058462 /nfs/dbraw/zinc/05/84/62/1050058462.db2.gz HTGLLUZOFUGDBJ-IAGOWNOFSA-N 0 3 322.493 4.064 20 30 DIEDHN C=CCN(Cc1c[nH]c2ncc(Cl)cc12)Cc1ccccc1 ZINC001209599539 1050071587 /nfs/dbraw/zinc/07/15/87/1050071587.db2.gz LXDMBDYMCQDJHE-UHFFFAOYSA-N 0 3 311.816 4.405 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC001209622757 1050071960 /nfs/dbraw/zinc/07/19/60/1050071960.db2.gz KFCYABVJIQFFCJ-UHFFFAOYSA-N 0 3 321.468 4.260 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2c(Cl)cccc2OC(F)F)C1 ZINC000590656421 1050101809 /nfs/dbraw/zinc/10/18/09/1050101809.db2.gz CGBAKEMHAKZKPE-QWRGUYRKSA-N 0 3 314.763 4.113 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2c1cc(F)cc2F ZINC000591348890 1050141973 /nfs/dbraw/zinc/14/19/73/1050141973.db2.gz WJNUCYCFGITWAF-PMACEKPBSA-N 0 3 324.374 4.491 20 30 DIEDHN CC1(C)CC(=O)C=C(Nc2cccc(CN3CCCCC3)c2)C1 ZINC001210151271 1050145122 /nfs/dbraw/zinc/14/51/22/1050145122.db2.gz BQRNMAPEUVXRGX-UHFFFAOYSA-N 0 3 312.457 4.357 20 30 DIEDHN N#CC(C(=O)CCCC(F)(F)F)c1ccc2ccccc2n1 ZINC000771258879 1050233906 /nfs/dbraw/zinc/23/39/06/1050233906.db2.gz IZTFPEXENHHPFX-LBPRGKRZSA-N 0 3 306.287 4.144 20 30 DIEDHN N#Cc1coc(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001171073129 1050267512 /nfs/dbraw/zinc/26/75/12/1050267512.db2.gz ARVPKMVXLZEPDP-ZDUSSCGKSA-N 0 3 321.207 4.105 20 30 DIEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC2(CCCC2)O1 ZINC000592196370 1050274999 /nfs/dbraw/zinc/27/49/99/1050274999.db2.gz WQMSVOQJMTWDTR-INIZCTEOSA-N 0 3 312.457 4.021 20 30 DIEDHN COc1cc(CNC2(c3cccc(C)c3)CCC2)ccc1C#N ZINC000592375350 1050290174 /nfs/dbraw/zinc/29/01/74/1050290174.db2.gz FNFOEFYCIZTAEB-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN N#C[C@H]1CCCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085066 1050297665 /nfs/dbraw/zinc/29/76/65/1050297665.db2.gz DRXCCWUEVRIVLF-SWLSCSKDSA-N 0 3 323.267 4.476 20 30 DIEDHN C=CCN(Cc1ccnc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001143700643 1050339216 /nfs/dbraw/zinc/33/92/16/1050339216.db2.gz MOGIKDFUWDYNIR-UHFFFAOYSA-N 0 3 319.449 4.215 20 30 DIEDHN CSC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000574089445 1050371803 /nfs/dbraw/zinc/37/18/03/1050371803.db2.gz GCJJZZVPYHZSJE-IRXDYDNUSA-N 0 3 300.471 4.044 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]1C1CCC1 ZINC000735309975 1050372531 /nfs/dbraw/zinc/37/25/31/1050372531.db2.gz XPNOBQKTKCEUCO-MRXNPFEDSA-N 0 3 304.821 4.007 20 30 DIEDHN CC(C)[C@H]1CCCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735311715 1050372572 /nfs/dbraw/zinc/37/25/72/1050372572.db2.gz PFPSYJJWUYWWBS-MRXNPFEDSA-N 0 3 306.837 4.253 20 30 DIEDHN C#CCN(Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000735309805 1050374396 /nfs/dbraw/zinc/37/43/96/1050374396.db2.gz LRASKKVANLMCQX-UHFFFAOYSA-N 0 3 316.832 4.010 20 30 DIEDHN COc1ccc([C@@H](NCC(C)(C)CCC#N)c2ccccn2)cc1 ZINC000593711733 1050435071 /nfs/dbraw/zinc/43/50/71/1050435071.db2.gz VHFWJZCNGSVHIC-LJQANCHMSA-N 0 3 323.440 4.099 20 30 DIEDHN CCOCc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496000 1050519658 /nfs/dbraw/zinc/51/96/58/1050519658.db2.gz WUZWIWJSMDFCQI-UHFFFAOYSA-N 0 3 322.452 4.314 20 30 DIEDHN Cc1cccc2c1OCC[C@H]2NCc1ccc(C(C)(C)C#N)cc1 ZINC000594504414 1050521093 /nfs/dbraw/zinc/52/10/93/1050521093.db2.gz OLBSWPLWQDIUKT-LJQANCHMSA-N 0 3 320.436 4.410 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000594503561 1050522074 /nfs/dbraw/zinc/52/20/74/1050522074.db2.gz ZKOAGTMDAOULTM-LJQANCHMSA-N 0 3 320.436 4.491 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCc4c3cccc4F)CCC2)cc1 ZINC000594512969 1050524733 /nfs/dbraw/zinc/52/47/33/1050524733.db2.gz GARSKLUAVBYSOI-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)COC2 ZINC000594513804 1050525721 /nfs/dbraw/zinc/52/57/21/1050525721.db2.gz HQUNMRJUMPPLTP-OAHLLOKOSA-N 0 3 318.420 4.318 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)cc1 ZINC000594516068 1050525899 /nfs/dbraw/zinc/52/58/99/1050525899.db2.gz ANBBDPABEBUGAO-OAHLLOKOSA-N 0 3 301.393 4.160 20 30 DIEDHN CCOc1cccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034807 1050542266 /nfs/dbraw/zinc/54/22/66/1050542266.db2.gz UEIARZIAIVDSPQ-JLTOFOAXSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccc([C@H](NCC2(CC#N)CC2)c2ccc(C)cc2)cc1 ZINC000594702410 1050547307 /nfs/dbraw/zinc/54/73/07/1050547307.db2.gz WHXUYYKZPRKYID-HXUWFJFHSA-N 0 3 320.436 4.377 20 30 DIEDHN N#C[C@H]1CCCN([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165176 1050547596 /nfs/dbraw/zinc/54/75/96/1050547596.db2.gz QVLNKJIWVGVMRB-SWLSCSKDSA-N 0 3 323.267 4.476 20 30 DIEDHN N#C[C@H]1CCCN([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165177 1050547835 /nfs/dbraw/zinc/54/78/35/1050547835.db2.gz QVLNKJIWVGVMRB-WFASDCNBSA-N 0 3 323.267 4.476 20 30 DIEDHN Cc1nc(F)ccc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000787096038 1050553384 /nfs/dbraw/zinc/55/33/84/1050553384.db2.gz AMVRMUVBQIDNAZ-UHFFFAOYSA-N 0 3 311.404 4.059 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001211434712 1050564530 /nfs/dbraw/zinc/56/45/30/1050564530.db2.gz CJJRXJCNWWQPHN-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000594925248 1050564808 /nfs/dbraw/zinc/56/48/08/1050564808.db2.gz RBOUGVUBNQEHEY-LJQANCHMSA-N 0 3 306.384 4.158 20 30 DIEDHN N#CC1(c2ccc(CN[C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000594926204 1050565862 /nfs/dbraw/zinc/56/58/62/1050565862.db2.gz NNNFHTUJRJBXFN-IBGZPJMESA-N 0 3 318.420 4.245 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1c(F)cccc1Cl ZINC001171178403 1050569760 /nfs/dbraw/zinc/56/97/60/1050569760.db2.gz GCIHHSQMHNFGGB-GFCCVEGCSA-N 0 3 302.780 4.072 20 30 DIEDHN CCc1cnccc1[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594934181 1050575307 /nfs/dbraw/zinc/57/53/07/1050575307.db2.gz FHSSQGUNOZNEIR-HNNXBMFYSA-N 0 3 305.425 4.050 20 30 DIEDHN CCCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594938538 1050576750 /nfs/dbraw/zinc/57/67/50/1050576750.db2.gz MHEMZJAHDCSKLX-OAQYLSRUSA-N 0 3 320.436 4.433 20 30 DIEDHN CCSc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccn1 ZINC000594942917 1050577769 /nfs/dbraw/zinc/57/77/69/1050577769.db2.gz ANIWWXWZYYCZON-UHFFFAOYSA-N 0 3 323.465 4.039 20 30 DIEDHN N=C(Nc1ccccc1C1CC1)c1ccc2cc(O)ccc2c1 ZINC001171181977 1050578139 /nfs/dbraw/zinc/57/81/39/1050578139.db2.gz GLDSUSRFIHYMKS-UHFFFAOYSA-N 0 3 302.377 4.460 20 30 DIEDHN CC(C)(C)c1ccncc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594943606 1050579027 /nfs/dbraw/zinc/57/90/27/1050579027.db2.gz DRFWQTYBTZDFRJ-UHFFFAOYSA-N 0 3 319.452 4.224 20 30 DIEDHN COc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1C ZINC000594999155 1050590588 /nfs/dbraw/zinc/59/05/88/1050590588.db2.gz OOWZLTCVQQLFCH-UHFFFAOYSA-N 0 3 308.425 4.095 20 30 DIEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000595090488 1050609737 /nfs/dbraw/zinc/60/97/37/1050609737.db2.gz GFWZSBMFOZVNMU-QZTJIDSGSA-N 0 3 311.473 4.480 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2ccc(Br)cc2)cc1 ZINC001144573970 1050622251 /nfs/dbraw/zinc/62/22/51/1050622251.db2.gz WKHYNECWXNPZSP-UHFFFAOYSA-N 0 3 314.226 4.062 20 30 DIEDHN CCc1cccc(CNCc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000845937670 1050636900 /nfs/dbraw/zinc/63/69/00/1050636900.db2.gz NFBIHTWOJZENKZ-LJQANCHMSA-N 0 3 308.425 4.220 20 30 DIEDHN CSc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000595563592 1050640009 /nfs/dbraw/zinc/64/00/09/1050640009.db2.gz VSVZGOKDEYIZLK-UHFFFAOYSA-N 0 3 308.450 4.449 20 30 DIEDHN Cc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1Cl ZINC000788081387 1050649825 /nfs/dbraw/zinc/64/98/25/1050649825.db2.gz MMIKHOWPSSMNFJ-CYBMUJFWSA-N 0 3 324.767 4.209 20 30 DIEDHN C[C@@H](c1ccc(CN2CCC[C@@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623973 1050653208 /nfs/dbraw/zinc/65/32/08/1050653208.db2.gz ZUTGHANFRBJMLZ-KBPBESRZSA-N 0 3 310.363 4.478 20 30 DIEDHN Cc1nc(C(C)C)ccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000595632649 1050655725 /nfs/dbraw/zinc/65/57/25/1050655725.db2.gz IFFMKILQWYCJNH-UHFFFAOYSA-N 0 3 307.441 4.410 20 30 DIEDHN C=CCC[C@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772719883 1050687556 /nfs/dbraw/zinc/68/75/56/1050687556.db2.gz YGEWYKZMIMLXGP-KRWDZBQOSA-N 0 3 315.457 4.187 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000788520407 1050696654 /nfs/dbraw/zinc/69/66/54/1050696654.db2.gz VNPZSXBNAHLKGW-GOSISDBHSA-N 0 3 319.408 4.139 20 30 DIEDHN CCN(Cc1cc(C)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477497 1050817301 /nfs/dbraw/zinc/81/73/01/1050817301.db2.gz XCOYNOVCCFQWOH-MRXNPFEDSA-N 0 3 308.425 4.458 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cc(C)c(F)c(C)c2)cc1C#N ZINC000742378980 1050837113 /nfs/dbraw/zinc/83/71/13/1050837113.db2.gz QEOUJYMBTUSHDC-CQSZACIVSA-N 0 3 312.388 4.174 20 30 DIEDHN C=C(CC)CN1CCC[C@@H]1Cc1ccccc1Br ZINC001171309314 1050885871 /nfs/dbraw/zinc/88/58/71/1050885871.db2.gz XKQDFAYDBRFLJU-OAHLLOKOSA-N 0 3 308.263 4.422 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2coc3ccccc23)cc1 ZINC000772985756 1050904584 /nfs/dbraw/zinc/90/45/84/1050904584.db2.gz YDTKPRHACTVXNZ-OAHLLOKOSA-N 0 3 305.377 4.296 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](CCC)c1ccc(OC)cc1 ZINC000772988964 1050933536 /nfs/dbraw/zinc/93/35/36/1050933536.db2.gz VBNQLOMDKXXJCG-FQEVSTJZSA-N 0 3 323.436 4.338 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1nc2ccccc2[nH]1 ZINC000796738317 1050966635 /nfs/dbraw/zinc/96/66/35/1050966635.db2.gz IWEHZEYGNMWZTC-ZJIFWQFVSA-N 0 3 321.424 4.346 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000743477395 1051033303 /nfs/dbraw/zinc/03/33/03/1051033303.db2.gz ROIOSTZPUJYZEG-BEFAXECRSA-N 0 3 319.408 4.090 20 30 DIEDHN C#CC[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117761 1051067127 /nfs/dbraw/zinc/06/71/27/1051067127.db2.gz WHEBOHYHMRNZCC-MOPGFXCFSA-N 0 3 308.381 4.400 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117006 1051067599 /nfs/dbraw/zinc/06/75/99/1051067599.db2.gz SSRXSHWYEJWMMS-UTKZUKDTSA-N 0 3 315.420 4.288 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118375 1051069530 /nfs/dbraw/zinc/06/95/30/1051069530.db2.gz ZDQQRGMIDUUBFS-LAUBAEHRSA-N 0 3 315.420 4.288 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118379 1051069799 /nfs/dbraw/zinc/06/97/99/1051069799.db2.gz ZDQQRGMIDUUBFS-UTKZUKDTSA-N 0 3 315.420 4.288 20 30 DIEDHN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743854961 1051076475 /nfs/dbraw/zinc/07/64/75/1051076475.db2.gz VMKUAAPLQBUKGH-QRWLVFNGSA-N 0 3 324.399 4.311 20 30 DIEDHN N#CC(C(=O)C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101729 1051115811 /nfs/dbraw/zinc/11/58/11/1051115811.db2.gz PDTZOACHFCDNPU-WAVCKPEOSA-N 0 3 304.374 4.186 20 30 DIEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105970 1051116631 /nfs/dbraw/zinc/11/66/31/1051116631.db2.gz OPFQADNTHPXDGY-GFOMBABLSA-N 0 3 316.335 4.264 20 30 DIEDHN C=CCN1CCC[C@@H]1c1ccc(NC(C)(C)CC(C)=O)cc1 ZINC001171502603 1051155969 /nfs/dbraw/zinc/15/59/69/1051155969.db2.gz LQDMBVDMBOADHX-GOSISDBHSA-N 0 3 300.446 4.179 20 30 DIEDHN C[C@@]1(F)CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1F ZINC001170379165 1051198937 /nfs/dbraw/zinc/19/89/37/1051198937.db2.gz RVYIJYVJSOETSG-CXUOOODFSA-N 0 3 318.411 4.163 20 30 DIEDHN Cc1ccncc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000792988542 1051235119 /nfs/dbraw/zinc/23/51/19/1051235119.db2.gz DWWMRMKMFCRJIS-UHFFFAOYSA-N 0 3 319.433 4.280 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000747096106 1051238924 /nfs/dbraw/zinc/23/89/24/1051238924.db2.gz WEPVBRVZWGHMJS-HNNXBMFYSA-N 0 3 309.409 4.037 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308110 1051277277 /nfs/dbraw/zinc/27/72/77/1051277277.db2.gz FJSOCROYCWPQSP-VBKZILBWSA-N 0 3 324.399 4.284 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308115 1051277604 /nfs/dbraw/zinc/27/76/04/1051277604.db2.gz FJSOCROYCWPQSP-XOBRGWDASA-N 0 3 324.399 4.284 20 30 DIEDHN Cc1cnc(C#N)c(Nc2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001215711257 1051316679 /nfs/dbraw/zinc/31/66/79/1051316679.db2.gz JXFKBXZDBWQHOQ-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(F)c(F)cc1Cl ZINC001172303303 1051333117 /nfs/dbraw/zinc/33/31/17/1051333117.db2.gz WUQXTOXGRSCKTR-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCc2ccc(Cl)cc2C1 ZINC001172309781 1051336383 /nfs/dbraw/zinc/33/63/83/1051336383.db2.gz WWYGQCWCCNOWOX-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN CCCCCCC[C@H](CC)N[C@@H]1c2ccccc2CNC1=O ZINC001172350809 1051368483 /nfs/dbraw/zinc/36/84/83/1051368483.db2.gz PWXIFNRUMAQJKH-FUHWJXTLSA-N 0 3 302.462 4.086 20 30 DIEDHN CCCCCCC[C@H](CC)N[C@H](CC(=O)OC)c1ccccn1 ZINC001172351784 1051368638 /nfs/dbraw/zinc/36/86/38/1051368638.db2.gz VIPAELPREHJIBS-FUHWJXTLSA-N 0 3 320.477 4.415 20 30 DIEDHN COc1ccc([C@H](NCC#Cc2ccc(F)cc2)C(C)C)cc1 ZINC001168786005 1051419012 /nfs/dbraw/zinc/41/90/12/1051419012.db2.gz VJJMIZKMCIYUPI-HXUWFJFHSA-N 0 3 311.400 4.173 20 30 DIEDHN CCCCCCC[C@H](CCC)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172507705 1051424604 /nfs/dbraw/zinc/42/46/04/1051424604.db2.gz ADZIPYCYLRRSFV-ULQDDVLXSA-N 0 3 305.453 4.260 20 30 DIEDHN CCCCCCCC[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172505238 1051425463 /nfs/dbraw/zinc/42/54/63/1051425463.db2.gz KRJOHYOWYCPIHV-HOTGVXAUSA-N 0 3 300.487 4.025 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000766487895 1051430769 /nfs/dbraw/zinc/43/07/69/1051430769.db2.gz NGCOTMWRYYSDEH-ZDUSSCGKSA-N 0 3 317.791 4.342 20 30 DIEDHN N#Cc1ccc(C2=CCN(Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC001168871914 1051456267 /nfs/dbraw/zinc/45/62/67/1051456267.db2.gz FFWMPBULVKUCHY-UHFFFAOYSA-N 0 3 314.432 4.336 20 30 DIEDHN CC[C@H]1Cc2ccccc2CN1CCCOc1cccc(C#N)c1 ZINC001169013509 1051487419 /nfs/dbraw/zinc/48/74/19/1051487419.db2.gz GSLHDHWYFYRHBX-FQEVSTJZSA-N 0 3 320.436 4.164 20 30 DIEDHN CN(C)/C=N/c1ccc(NC(C)(C)CC(C)(C)C)cc1C#N ZINC001169052596 1051497059 /nfs/dbraw/zinc/49/70/59/1051497059.db2.gz LZNKEZHLTGHIBH-DEDYPNTBSA-N 0 3 300.450 4.406 20 30 DIEDHN CC(C)OC(=O)CC[C@@H](C)N(CCC#N)C1CCCCCCC1 ZINC001172763431 1051501117 /nfs/dbraw/zinc/50/11/17/1051501117.db2.gz JDXUBPCAPVETGC-QGZVFWFLSA-N 0 3 322.493 4.435 20 30 DIEDHN C[C@H](Cc1ccc(F)cc1Cl)NCc1ccccc1C#N ZINC001172860484 1051547919 /nfs/dbraw/zinc/54/79/19/1051547919.db2.gz DOSVYLXTOXTDEY-GFCCVEGCSA-N 0 3 302.780 4.072 20 30 DIEDHN C[C@H](CSc1ccc(Cl)cc1)NCc1ccc(C#N)o1 ZINC001172879244 1051562238 /nfs/dbraw/zinc/56/22/38/1051562238.db2.gz MSXZBRRKJLCPEZ-LLVKDONJSA-N 0 3 306.818 4.075 20 30 DIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CCC(C)(C#N)CC1 ZINC001172881622 1051563191 /nfs/dbraw/zinc/56/31/91/1051563191.db2.gz JGYZLYVJBIUPQF-CYBMUJFWSA-N 0 3 308.878 4.446 20 30 DIEDHN Cc1c2[nH]cnc2ccc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169380828 1051597982 /nfs/dbraw/zinc/59/79/82/1051597982.db2.gz JSQCCDPXHPIGQW-KRWDZBQOSA-N 0 3 310.788 4.376 20 30 DIEDHN C=CCOC1CCC(NCc2c(Cl)ccc(C)c2F)CC1 ZINC001173311519 1051683690 /nfs/dbraw/zinc/68/36/90/1051683690.db2.gz LMPACDHPQXOBJA-UHFFFAOYSA-N 0 3 311.828 4.391 20 30 DIEDHN N#CCC1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC001173329994 1051695175 /nfs/dbraw/zinc/69/51/75/1051695175.db2.gz QZNYMKYYRDYTBF-OUNSHVDWSA-N 0 3 305.425 4.233 20 30 DIEDHN CCc1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1C#N ZINC001216316705 1051696106 /nfs/dbraw/zinc/69/61/06/1051696106.db2.gz MSTHHUFLBVKZTG-IBGZPJMESA-N 0 3 321.424 4.249 20 30 DIEDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853655 1051713966 /nfs/dbraw/zinc/71/39/66/1051713966.db2.gz GOUMYNMABSSAAJ-DNVCBOLYSA-N 0 3 308.400 4.384 20 30 DIEDHN Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853654 1051714606 /nfs/dbraw/zinc/71/46/06/1051714606.db2.gz GOUMYNMABSSAAJ-BEFAXECRSA-N 0 3 308.400 4.384 20 30 DIEDHN Cc1ccc([C@@]2(C)CN(C3CCC(C)(C#N)CC3)CCO2)cc1 ZINC001173597684 1051758424 /nfs/dbraw/zinc/75/84/24/1051758424.db2.gz DKZXEDNCJKBPFA-SOAGJPPSSA-N 0 3 312.457 4.015 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103513 1051881700 /nfs/dbraw/zinc/88/17/00/1051881700.db2.gz GBECUHCDGBEWHR-CXAGYDPISA-N 0 3 300.377 4.197 20 30 DIEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001173930500 1051902823 /nfs/dbraw/zinc/90/28/23/1051902823.db2.gz ZTEHHXIFUXMGEZ-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN C=CCC[C@H](CC)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191529988 1051975856 /nfs/dbraw/zinc/97/58/56/1051975856.db2.gz XAZVQGWXBVNXIL-DOMZBBRYSA-N 0 3 303.381 4.271 20 30 DIEDHN N#Cc1csc(CN2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000769122852 1051999230 /nfs/dbraw/zinc/99/92/30/1051999230.db2.gz WAWNHNHDOKWNDS-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1[O-] ZINC000808675780 1052067230 /nfs/dbraw/zinc/06/72/30/1052067230.db2.gz SHHQPABLQFZZGP-GFCCVEGCSA-N 0 3 300.789 4.077 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2cc(F)ccc2c1 ZINC001218982432 1052265234 /nfs/dbraw/zinc/26/52/34/1052265234.db2.gz PRTGBSJPVXVVKZ-SFHVURJKSA-N 0 3 314.404 4.381 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001219001873 1052266609 /nfs/dbraw/zinc/26/66/09/1052266609.db2.gz HBJBZQPJMNOSKK-SFHVURJKSA-N 0 3 322.452 4.341 20 30 DIEDHN CCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000487880005 1052284823 /nfs/dbraw/zinc/28/48/23/1052284823.db2.gz RJCLZQRCGFMHOH-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN N#CC(C(=O)CCc1cccs1)c1ccc2ccccc2n1 ZINC000916849486 1052657289 /nfs/dbraw/zinc/65/72/89/1052657289.db2.gz WDORVHWZGOTCPD-OAHLLOKOSA-N 0 3 306.390 4.105 20 30 DIEDHN C=CCCCN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125952924 1052659110 /nfs/dbraw/zinc/65/91/10/1052659110.db2.gz ZOFSHNMNJVODKE-LJQANCHMSA-N 0 3 305.425 4.219 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000916956315 1052672617 /nfs/dbraw/zinc/67/26/17/1052672617.db2.gz ZSNDFJQSRLXHAD-YOEHRIQHSA-N 0 3 314.429 4.284 20 30 DIEDHN C[C@@H](Cc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000921130828 1052962918 /nfs/dbraw/zinc/96/29/18/1052962918.db2.gz CZIGIKDIEQEYSM-SWLSCSKDSA-N 0 3 322.339 4.022 20 30 DIEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cc1F ZINC000609915630 1052999167 /nfs/dbraw/zinc/99/91/67/1052999167.db2.gz HQWLLORTRYSUSD-CYBMUJFWSA-N 0 3 316.807 4.414 20 30 DIEDHN C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000179888595 1053034891 /nfs/dbraw/zinc/03/48/91/1053034891.db2.gz HJBBTWANNFRKTC-CYBMUJFWSA-N 0 3 319.326 4.113 20 30 DIEDHN CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OCC ZINC000069060672 1053108979 /nfs/dbraw/zinc/10/89/79/1053108979.db2.gz APHSTLJYHDFTMG-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN C=CCc1ccc(O)c(OC2CCN(Cc3ccccc3)CC2)c1 ZINC001229342264 1053303230 /nfs/dbraw/zinc/30/32/30/1053303230.db2.gz QEMLVGPBSNZRLM-UHFFFAOYSA-N 0 3 323.436 4.164 20 30 DIEDHN CCN1CC[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229428324 1053317352 /nfs/dbraw/zinc/31/73/52/1053317352.db2.gz IDPPLRVHZXLUFB-ZTVSIKPCSA-N 0 3 321.420 4.056 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591031 1053347929 /nfs/dbraw/zinc/34/79/29/1053347929.db2.gz BAOVCUVHKSBONF-ABAIWWIYSA-N 0 3 320.433 4.109 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591032 1053348520 /nfs/dbraw/zinc/34/85/20/1053348520.db2.gz BAOVCUVHKSBONF-IAQYHMDHSA-N 0 3 320.433 4.109 20 30 DIEDHN N#Cc1c(F)cccc1CNCCc1ccc(Cl)c(Cl)c1 ZINC001561003657 1053355917 /nfs/dbraw/zinc/35/59/17/1053355917.db2.gz FFAUGUFHBMKFPU-UHFFFAOYSA-N 0 3 323.198 4.336 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C(F)(F)F)c1 ZINC000618741681 1053358129 /nfs/dbraw/zinc/35/81/29/1053358129.db2.gz KKHHOBLKEBLZQW-QGZVFWFLSA-N 0 3 316.326 4.354 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001545710323 1053360818 /nfs/dbraw/zinc/36/08/18/1053360818.db2.gz XSBDZTUHXWLWDM-GVDBMIGSSA-N 0 3 308.510 4.115 20 30 DIEDHN CCc1nc2c(s1)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801461 1053366935 /nfs/dbraw/zinc/36/69/35/1053366935.db2.gz AZQCBSPJWXUPMP-HOTGVXAUSA-N 0 3 323.465 4.232 20 30 DIEDHN Cc1nc2c(s1)[C@@H](NC1CC(C#N)(c3ccccc3)C1)CCC2 ZINC001320869874 1053369528 /nfs/dbraw/zinc/36/95/28/1053369528.db2.gz BCMYUDIVPLTRIQ-RMXPPQQLSA-N 0 3 323.465 4.043 20 30 DIEDHN COc1cc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805634 1053370473 /nfs/dbraw/zinc/37/04/73/1053370473.db2.gz JAFCXQCDTVGBRQ-XIKOKIGWSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1cc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805619 1053370548 /nfs/dbraw/zinc/37/05/48/1053370548.db2.gz JAFCXQCDTVGBRQ-KPZWWZAWSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1cc(C)ccc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618804756 1053370646 /nfs/dbraw/zinc/37/06/46/1053370646.db2.gz LTVRXZHLOIPYSU-LIRRHRJNSA-N 0 3 306.409 4.213 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2ccc(F)cc21 ZINC000618804655 1053371251 /nfs/dbraw/zinc/37/12/51/1053371251.db2.gz BWUBSYPNFZCCCS-VQTJNVASSA-N 0 3 306.384 4.352 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618805975 1053373578 /nfs/dbraw/zinc/37/35/78/1053373578.db2.gz LNESQDKWDDVCKA-BFUOFWGJSA-N 0 3 321.380 4.113 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC001320967435 1053378134 /nfs/dbraw/zinc/37/81/34/1053378134.db2.gz HAUKDBCWOQBFOX-ZDUSSCGKSA-N 0 3 319.351 4.002 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001320967554 1053379303 /nfs/dbraw/zinc/37/93/03/1053379303.db2.gz IQBSLAQHYHRRJH-AWEZNQCLSA-N 0 3 317.816 4.377 20 30 DIEDHN CSc1ccccc1[C@@H](C)NCc1cccc(OCC#N)c1 ZINC001321356152 1053408828 /nfs/dbraw/zinc/40/88/28/1053408828.db2.gz VXMUYPWTVMCQIB-CQSZACIVSA-N 0 3 312.438 4.162 20 30 DIEDHN C[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])CC1 ZINC001229932128 1053434558 /nfs/dbraw/zinc/43/45/58/1053434558.db2.gz AGVSLOJMWIJWMJ-LBSLPOPVSA-N 0 3 324.424 4.006 20 30 DIEDHN C[N@H+]1CCC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])CC1 ZINC001229932128 1053434563 /nfs/dbraw/zinc/43/45/63/1053434563.db2.gz AGVSLOJMWIJWMJ-LBSLPOPVSA-N 0 3 324.424 4.006 20 30 DIEDHN COc1cc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)ccc1C#N ZINC000619654381 1053525732 /nfs/dbraw/zinc/52/57/32/1053525732.db2.gz FKYOPBNEKDLZQY-XCLFUZPHSA-N 0 3 324.399 4.119 20 30 DIEDHN CC(C)(C#N)CN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000619674757 1053528471 /nfs/dbraw/zinc/52/84/71/1053528471.db2.gz PVHHSKNHJICHGZ-ZFWWWQNUSA-N 0 3 310.363 4.481 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3sccc32)cc1Cl ZINC000619754822 1053546981 /nfs/dbraw/zinc/54/69/81/1053546981.db2.gz LJEUIMRVQLZKCO-HNNXBMFYSA-N 0 3 302.830 4.440 20 30 DIEDHN COc1cccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000619755838 1053548084 /nfs/dbraw/zinc/54/80/84/1053548084.db2.gz VSOHDQGIQUSLRH-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748621 1053553728 /nfs/dbraw/zinc/55/37/28/1053553728.db2.gz PBYKEWMPEZXLJO-UHFFFAOYSA-N 0 3 312.800 4.066 20 30 DIEDHN COc1ccccc1/C=C\CNCc1ccc(C#N)c(Cl)c1 ZINC000619748411 1053554784 /nfs/dbraw/zinc/55/47/84/1053554784.db2.gz KKJZOKNWXGHAEV-XQRVVYSFSA-N 0 3 312.800 4.023 20 30 DIEDHN C=CCc1cccc(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)c1 ZINC001231011287 1053651145 /nfs/dbraw/zinc/65/11/45/1053651145.db2.gz YABFCGDJRYFBST-QFBILLFUSA-N 0 3 308.425 4.024 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620045 1053724049 /nfs/dbraw/zinc/72/40/49/1053724049.db2.gz OBWBPCVUCKVOPJ-SWLSCSKDSA-N 0 3 305.418 4.406 20 30 DIEDHN C=C(CNCc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000620756502 1053729271 /nfs/dbraw/zinc/72/92/71/1053729271.db2.gz GIUAGHZCZPVBCS-UHFFFAOYSA-N 0 3 307.315 4.388 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(F)c(OC)c2)cc1 ZINC000154430954 1053736262 /nfs/dbraw/zinc/73/62/62/1053736262.db2.gz DIPVQQVGHFRTGV-AWEZNQCLSA-N 0 3 315.388 4.250 20 30 DIEDHN C=CCN(Cc1ccc(Br)cc1OC)C(C)(C)C ZINC001231517303 1053777003 /nfs/dbraw/zinc/77/70/03/1053777003.db2.gz UFXYZRYCTSVCQG-UHFFFAOYSA-N 0 3 312.251 4.244 20 30 DIEDHN CCc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)s1 ZINC001231500201 1053772358 /nfs/dbraw/zinc/77/23/58/1053772358.db2.gz TUIZGOKUHKOWNC-UHFFFAOYSA-N 0 3 310.466 4.368 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578073 1053788900 /nfs/dbraw/zinc/78/89/00/1053788900.db2.gz IOQLRAOPGVIUMW-HXUWFJFHSA-N 0 3 314.432 4.212 20 30 DIEDHN CCOC1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231577729 1053789823 /nfs/dbraw/zinc/78/98/23/1053789823.db2.gz AGPYOSWKWMBZMF-UHFFFAOYSA-N 0 3 319.448 4.087 20 30 DIEDHN C=CCc1cc(CN(C)[C@H](C)c2cccs2)cc(OC)c1O ZINC000157817418 1053872885 /nfs/dbraw/zinc/87/28/85/1053872885.db2.gz GVHSHWARCFCUGZ-CYBMUJFWSA-N 0 3 317.454 4.384 20 30 DIEDHN N#Cc1ccc(CN2CCCC3(CC(F)C3)CC2)cc1Cl ZINC001232116908 1053966624 /nfs/dbraw/zinc/96/66/24/1053966624.db2.gz RMGCRRHTSUYGIP-UHFFFAOYSA-N 0 3 306.812 4.316 20 30 DIEDHN C=CCCN(Cc1cnc(-c2cccnc2)o1)Cc1ccccc1 ZINC001232140392 1053970813 /nfs/dbraw/zinc/97/08/13/1053970813.db2.gz XUZGTLZNJCAPHI-UHFFFAOYSA-N 0 3 319.408 4.315 20 30 DIEDHN Cc1cccc(F)c1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001232484261 1054056520 /nfs/dbraw/zinc/05/65/20/1054056520.db2.gz ZRVOEPFPKDIMIJ-GOSISDBHSA-N 0 3 324.399 4.049 20 30 DIEDHN CC[C@@H](N[C@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984951 1054104322 /nfs/dbraw/zinc/10/43/22/1054104322.db2.gz TYAGBMFGSCKHLO-MOPGFXCFSA-N 0 3 322.456 4.454 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000122863475 1054105709 /nfs/dbraw/zinc/10/57/09/1054105709.db2.gz OFYALSXCNXHZBK-ZDUSSCGKSA-N 0 3 316.351 4.353 20 30 DIEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCc2ccc(Cl)cc21 ZINC001232846421 1054129897 /nfs/dbraw/zinc/12/98/97/1054129897.db2.gz HIGMDDHTOBPJFP-LBPRGKRZSA-N 0 3 316.857 4.435 20 30 DIEDHN COc1cccc([C@H]2CCCN(Cc3ccc(C)cc3C#N)C2)c1 ZINC001232968353 1054161236 /nfs/dbraw/zinc/16/12/36/1054161236.db2.gz HHXFXXJNLFNZAU-SFHVURJKSA-N 0 3 320.436 4.255 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111814 1054296307 /nfs/dbraw/zinc/29/63/07/1054296307.db2.gz GUSAYGWOVYZRDU-CRAIPNDOSA-N 0 3 311.425 4.214 20 30 DIEDHN C=CCc1ccc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)cc1 ZINC001233597547 1054304956 /nfs/dbraw/zinc/30/49/56/1054304956.db2.gz NPECZOMIVAZMNU-VQIMIIECSA-N 0 3 308.425 4.024 20 30 DIEDHN C=CCc1ccc(O[C@H]2CCCN([C@H](C)c3ccccn3)C2)cc1 ZINC001233597427 1054305871 /nfs/dbraw/zinc/30/58/71/1054305871.db2.gz MAKHZJBWYVYWCC-XLIONFOSSA-N 0 3 322.452 4.415 20 30 DIEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cc(C#N)ccc1F ZINC001339118819 1054323241 /nfs/dbraw/zinc/32/32/41/1054323241.db2.gz SRBHLXKKCAKRMF-LRDDRELGSA-N 0 3 310.372 4.050 20 30 DIEDHN N#CC(C(=O)CCCc1ccccc1Cl)c1cccc(F)n1 ZINC001342691546 1054427700 /nfs/dbraw/zinc/42/77/00/1054427700.db2.gz GAHCWPPYLQMRTB-CYBMUJFWSA-N 0 3 316.763 4.073 20 30 DIEDHN CC1(C)C2CCC1(C(=O)C(C#N)c1nc3ccccc3o1)CC2 ZINC001342926430 1054434259 /nfs/dbraw/zinc/43/42/59/1054434259.db2.gz ZDDGOONMQZDCJF-MLZJXEJWSA-N 0 3 308.381 4.220 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccc2ccccc2n1 ZINC001343405465 1054444614 /nfs/dbraw/zinc/44/46/14/1054444614.db2.gz RIWJMNHPVAUYDT-WCXIOVBPSA-N 0 3 304.393 4.237 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC001344322730 1054465171 /nfs/dbraw/zinc/46/51/71/1054465171.db2.gz WSCXAIUBROZHNT-ZMSDIMECSA-N 0 3 321.424 4.069 20 30 DIEDHN CC1(C)CCCC[C@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345621271 1054504424 /nfs/dbraw/zinc/50/44/24/1054504424.db2.gz GWMOSGGGMRRZHA-AAEUAGOBSA-N 0 3 306.356 4.143 20 30 DIEDHN C=CCOc1ccccc1[C@@H](C)Oc1cccc2c1CCN(C)C2 ZINC001234424445 1054520895 /nfs/dbraw/zinc/52/08/95/1054520895.db2.gz PXOKZLKRXIGYHX-MRXNPFEDSA-N 0 3 323.436 4.379 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001346096440 1054528514 /nfs/dbraw/zinc/52/85/14/1054528514.db2.gz QGSVVQUOZOFMQA-KZNAEPCWSA-N 0 3 321.424 4.053 20 30 DIEDHN C=CCN(C)Cc1c[nH]c2cc(Cl)cc(Br)c12 ZINC001234471537 1054529590 /nfs/dbraw/zinc/52/95/90/1054529590.db2.gz IWCATAHTTICAEV-UHFFFAOYSA-N 0 3 313.626 4.202 20 30 DIEDHN C=CCC[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001446502035 1054538567 /nfs/dbraw/zinc/53/85/67/1054538567.db2.gz FZFKCMRHKVLTIM-HKUYNNGSSA-N 0 3 314.473 4.075 20 30 DIEDHN CC[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346765462 1054548564 /nfs/dbraw/zinc/54/85/64/1054548564.db2.gz WYDURGUYKAPYIW-DOMZBBRYSA-N 0 3 314.335 4.120 20 30 DIEDHN C=CC(C)(C)CCNCc1csc(COc2ccccc2)n1 ZINC000623592964 1054629422 /nfs/dbraw/zinc/62/94/22/1054629422.db2.gz MAJWUYDSGDQHQC-UHFFFAOYSA-N 0 3 316.470 4.414 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc3c2CCC3)n1 ZINC000177778342 1054635369 /nfs/dbraw/zinc/63/53/69/1054635369.db2.gz OQXGIRWYMDKPSP-OAHLLOKOSA-N 0 3 310.422 4.245 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc3c2CCC3)n1 ZINC000177778327 1054636534 /nfs/dbraw/zinc/63/65/34/1054636534.db2.gz OQXGIRWYMDKPSP-HNNXBMFYSA-N 0 3 310.422 4.245 20 30 DIEDHN C=CCC[C@H](NCc1ccc(C(=O)OC)s1)c1ccccc1 ZINC000180046529 1054727449 /nfs/dbraw/zinc/72/74/49/1054727449.db2.gz ZLLGCWSUCGGJRB-INIZCTEOSA-N 0 3 315.438 4.332 20 30 DIEDHN N#Cc1cc(F)c(CN2CCC[C@H]2C2CCCCC2)c(F)c1 ZINC001235665949 1054763783 /nfs/dbraw/zinc/76/37/83/1054763783.db2.gz ZOZYSEIXXOYOGU-SFHVURJKSA-N 0 3 304.384 4.381 20 30 DIEDHN C=CCCOCCN[C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623924628 1054825940 /nfs/dbraw/zinc/82/59/40/1054825940.db2.gz IKFMMZGZQMWRFH-LLVKDONJSA-N 0 3 305.315 4.088 20 30 DIEDHN C=C(C)CN(CC)Cc1cc(Br)c(Cl)cc1N ZINC001235949791 1054867506 /nfs/dbraw/zinc/86/75/06/1054867506.db2.gz IAYCIFJZZHYROW-UHFFFAOYSA-N 0 3 317.658 4.083 20 30 DIEDHN Cc1c(C#N)ccnc1-c1cccc(CN2CCCCC2)c1F ZINC001236004700 1054892078 /nfs/dbraw/zinc/89/20/78/1054892078.db2.gz MUZKRNDLAGQWFO-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C[C@@H](CC1CCCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001350354709 1054917675 /nfs/dbraw/zinc/91/76/75/1054917675.db2.gz RULRHZQJZAPFTI-SMDDNHRTSA-N 0 3 306.356 4.143 20 30 DIEDHN C[C@H](NCCCSCC#N)c1cc(F)c(Cl)cc1Cl ZINC000181646971 1054927949 /nfs/dbraw/zinc/92/79/49/1054927949.db2.gz UCZDHFWRDAGASP-VIFPVBQESA-N 0 3 321.248 4.430 20 30 DIEDHN C=CCCOCCN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000182079370 1054958254 /nfs/dbraw/zinc/95/82/54/1054958254.db2.gz NWCYBHKSUHWQKT-CQSZACIVSA-N 0 3 303.402 4.075 20 30 DIEDHN C=CCCOCCN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000182079386 1054958460 /nfs/dbraw/zinc/95/84/60/1054958460.db2.gz NWCYBHKSUHWQKT-AWEZNQCLSA-N 0 3 303.402 4.075 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2c2c[nH]c3ccccc32)s1 ZINC001236189358 1054987730 /nfs/dbraw/zinc/98/77/30/1054987730.db2.gz CVHJELGORKQGMP-SFHVURJKSA-N 0 3 307.422 4.438 20 30 DIEDHN Cc1ccc(C#N)c(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236235159 1055026650 /nfs/dbraw/zinc/02/66/50/1055026650.db2.gz WJOSHXARJQQSKD-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cc(C#N)cc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236245327 1055029646 /nfs/dbraw/zinc/02/96/46/1055029646.db2.gz QVQVHHBTHPBDLO-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN [O-]N=Cc1ccccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236259468 1055041410 /nfs/dbraw/zinc/04/14/10/1055041410.db2.gz XVXJWGSONKIBIY-UHFFFAOYSA-N 0 3 312.388 4.287 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1 ZINC000185574613 1055093255 /nfs/dbraw/zinc/09/32/55/1055093255.db2.gz VEPNCZZEBXKNDG-SJORKVTESA-N 0 3 300.446 4.102 20 30 DIEDHN Cc1cccc(-c2ccc(CN3CCC[C@@H](C#N)CC3)cn2)c1C ZINC001236987513 1055326917 /nfs/dbraw/zinc/32/69/17/1055326917.db2.gz BYZUNSIQBZSINU-GOSISDBHSA-N 0 3 319.452 4.491 20 30 DIEDHN C=C(C)c1cccc(NC(=O)N2CCN(C(C)(C)CC)CC2)c1 ZINC001563363863 1055329955 /nfs/dbraw/zinc/32/99/55/1055329955.db2.gz GBOMHRHRTWFNPP-UHFFFAOYSA-N 0 3 315.461 4.058 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237018193 1055339687 /nfs/dbraw/zinc/33/96/87/1055339687.db2.gz RPKLKFYWMWQEKJ-OAHLLOKOSA-N 0 3 310.828 4.247 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccc(OC)c2)cc1 ZINC000765251955 1055345432 /nfs/dbraw/zinc/34/54/32/1055345432.db2.gz PQGAHQHHOOKOFJ-HZPDHXFCSA-N 0 3 309.409 4.119 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000765426535 1055385658 /nfs/dbraw/zinc/38/56/58/1055385658.db2.gz NCYKMGYESNTFTM-JLTOFOAXSA-N 0 3 309.384 4.176 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CSCc3ccccc32)cc1 ZINC000765428758 1055389619 /nfs/dbraw/zinc/38/96/19/1055389619.db2.gz YRPZYNVWJNEDCH-MGPUTAFESA-N 0 3 323.461 4.337 20 30 DIEDHN C#Cc1cccc(CN2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)c1 ZINC001237250099 1055410687 /nfs/dbraw/zinc/41/06/87/1055410687.db2.gz RZSJALKFONETNX-UYAOXDASSA-N 0 3 322.839 4.105 20 30 DIEDHN C=CCN(Cc1c(Cl)c2ccccc2[nH]c1=O)C(C)(C)C ZINC001237505958 1055463416 /nfs/dbraw/zinc/46/34/16/1055463416.db2.gz PFUVHUVTZIBZTL-UHFFFAOYSA-N 0 3 304.821 4.380 20 30 DIEDHN C=C[C@H](C)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC001620858012 1055485272 /nfs/dbraw/zinc/48/52/72/1055485272.db2.gz GXSQOJGHPQAPRE-JTQLQIEISA-N 0 3 323.259 4.237 20 30 DIEDHN CC(C)(C)N(Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1 ZINC001237604931 1055486080 /nfs/dbraw/zinc/48/60/80/1055486080.db2.gz SIIPTSLEGQCKEM-UHFFFAOYSA-N 0 3 318.424 4.007 20 30 DIEDHN N#CCC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])CC1 ZINC001237645917 1055495257 /nfs/dbraw/zinc/49/52/57/1055495257.db2.gz MIJDORNIIYFOTK-UHFFFAOYSA-N 0 3 324.399 4.324 20 30 DIEDHN COc1ccc(C)c(CN2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001237712208 1055512076 /nfs/dbraw/zinc/51/20/76/1055512076.db2.gz DPLYJCVGSUDSQW-UHFFFAOYSA-N 0 3 320.436 4.061 20 30 DIEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001237751591 1055522260 /nfs/dbraw/zinc/52/22/60/1055522260.db2.gz MLEOELJUYNVUQX-MRXNPFEDSA-N 0 3 314.791 4.340 20 30 DIEDHN C=CC[C@H](CC)NCc1nc2cc(Br)ccc2o1 ZINC001620916420 1055539620 /nfs/dbraw/zinc/53/96/20/1055539620.db2.gz RFXNRDWRRWUBTK-NSHDSACASA-N 0 3 309.207 4.035 20 30 DIEDHN N#CC[C@@H]1CCCN(Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237922214 1055560763 /nfs/dbraw/zinc/56/07/63/1055560763.db2.gz FIXVCGAJFSNDJJ-SFHVURJKSA-N 0 3 320.436 4.391 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC001238174671 1055614180 /nfs/dbraw/zinc/61/41/80/1055614180.db2.gz AUKXGLRQNKQJRA-UHFFFAOYSA-N 0 3 310.441 4.285 20 30 DIEDHN N#Cc1cc(CN2CCCC3(CC(F)C3)CC2)ccc1Cl ZINC001238193338 1055618338 /nfs/dbraw/zinc/61/83/38/1055618338.db2.gz BPWXOCCHYUWRBF-UHFFFAOYSA-N 0 3 306.812 4.316 20 30 DIEDHN CC[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)c(OC)c1 ZINC001238414891 1055653411 /nfs/dbraw/zinc/65/34/11/1055653411.db2.gz YPDYSCNJWZRCRY-LJQANCHMSA-N 0 3 306.409 4.076 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238558385 1055687334 /nfs/dbraw/zinc/68/73/34/1055687334.db2.gz MYIVTWUTLFFPFH-OAHLLOKOSA-N 0 3 309.388 4.013 20 30 DIEDHN Cc1cnc(-c2ccccc2)c(CN2CCC[C@H](CC#N)C2)c1 ZINC001238624647 1055701236 /nfs/dbraw/zinc/70/12/36/1055701236.db2.gz JYQKOHHXRIOJRE-QGZVFWFLSA-N 0 3 305.425 4.183 20 30 DIEDHN Cc1cnc(-c2ccccc2)c(CN2CCC[C@@H](C#N)CC2)c1 ZINC001238626482 1055703045 /nfs/dbraw/zinc/70/30/45/1055703045.db2.gz UELDRYGJBMXYFF-QGZVFWFLSA-N 0 3 305.425 4.183 20 30 DIEDHN Cc1cc(CN2CCC(C)(C#N)CC2)cc(C)c1OC(C)C ZINC001238752112 1055738798 /nfs/dbraw/zinc/73/87/98/1055738798.db2.gz RWSAUOBSABETNB-UHFFFAOYSA-N 0 3 300.446 4.216 20 30 DIEDHN Cc1cc(CN2CCC[C@H](C#N)CC2)cc(C)c1OC(C)C ZINC001238751653 1055739055 /nfs/dbraw/zinc/73/90/55/1055739055.db2.gz IUVFUTVSTXOEID-KRWDZBQOSA-N 0 3 300.446 4.216 20 30 DIEDHN CCc1cc(CN2CCC[C@H]2c2ccc(OC)cc2)ccc1C#N ZINC001238776360 1055746396 /nfs/dbraw/zinc/74/63/96/1055746396.db2.gz VHKFOFHXEWFIEM-NRFANRHFSA-N 0 3 320.436 4.466 20 30 DIEDHN CCc1cc(CN2CCC[C@@H]2c2ccc(OC)cc2)ccc1C#N ZINC001238776561 1055746467 /nfs/dbraw/zinc/74/64/67/1055746467.db2.gz VHKFOFHXEWFIEM-OAQYLSRUSA-N 0 3 320.436 4.466 20 30 DIEDHN N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(N)ccnc2c1 ZINC001238845515 1055767532 /nfs/dbraw/zinc/76/75/32/1055767532.db2.gz NLJKLEAVXSGLLP-UHFFFAOYSA-N 0 3 313.282 4.374 20 30 DIEDHN N#Cc1ccc(/C=C/c2cccc(CN3CCCC3)c2F)cc1 ZINC001239304696 1055862090 /nfs/dbraw/zinc/86/20/90/1055862090.db2.gz ZBFSJUHXGZWQHE-ZHACJKMWSA-N 0 3 306.384 4.464 20 30 DIEDHN CCCCCCCCOC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001239312281 1055864430 /nfs/dbraw/zinc/86/44/30/1055864430.db2.gz DZAQZTZYLUQLKS-CYBMUJFWSA-N 0 3 309.410 4.008 20 30 DIEDHN CCCCCCCCOC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001239312282 1055865151 /nfs/dbraw/zinc/86/51/51/1055865151.db2.gz DZAQZTZYLUQLKS-ZDUSSCGKSA-N 0 3 309.410 4.008 20 30 DIEDHN CC(C)(NCc1cnc2c(F)cccc2c1)c1cccc(C#N)c1 ZINC001621003428 1055971441 /nfs/dbraw/zinc/97/14/41/1055971441.db2.gz HZMGFUCFXGIQGF-UHFFFAOYSA-N 0 3 319.383 4.270 20 30 DIEDHN C#CCN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(C)C ZINC001620603784 1055975942 /nfs/dbraw/zinc/97/59/42/1055975942.db2.gz REGIZLCPCNUGQH-UHFFFAOYSA-N 0 3 311.400 4.248 20 30 DIEDHN C=CC[C@H](NCc1ccc(Br)cc1)c1ccncc1 ZINC001620800072 1055994507 /nfs/dbraw/zinc/99/45/07/1055994507.db2.gz WVJHVPBJNNOREK-INIZCTEOSA-N 0 3 317.230 4.251 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001584186492 1056280413 /nfs/dbraw/zinc/28/04/13/1056280413.db2.gz SYYCNRMZRDSWHT-YVNCXZRQSA-N 0 3 320.521 4.284 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2N(C)CC)cc1 ZINC000765849766 1056327088 /nfs/dbraw/zinc/32/70/88/1056327088.db2.gz QARGTAHIMXCTRT-QGZVFWFLSA-N 0 3 322.452 4.006 20 30 DIEDHN N#Cc1cc(Br)ccc1CN(CC1CC1)C1CCC1 ZINC000554249216 1056349714 /nfs/dbraw/zinc/34/97/14/1056349714.db2.gz GTGAJBSTSDWQTR-UHFFFAOYSA-N 0 3 319.246 4.085 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cc2c(s1)CCCC2 ZINC000404612786 1056405643 /nfs/dbraw/zinc/40/56/43/1056405643.db2.gz QNKOXERELRVJNJ-GFCCVEGCSA-N 0 3 314.429 4.488 20 30 DIEDHN N#CCc1ccc(F)cc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388007 1056471203 /nfs/dbraw/zinc/47/12/03/1056471203.db2.gz YJPFRLDRMVKUQL-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C#CCN(Cc1ccc(OC)c(C)c1)[C@H]1CCc2ccccc21 ZINC001615272474 1056486447 /nfs/dbraw/zinc/48/64/47/1056486447.db2.gz OKOGVHSDPHFGHT-FQEVSTJZSA-N 0 3 305.421 4.126 20 30 DIEDHN Cc1ccc([C@H](C)NCc2c(C)cc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000921818547 1056514145 /nfs/dbraw/zinc/51/41/45/1056514145.db2.gz PUZHAPATVUIPCO-HNNXBMFYSA-N 0 3 323.396 4.243 20 30 DIEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700616 1056704508 /nfs/dbraw/zinc/70/45/08/1056704508.db2.gz XCJJERGLRKHJOD-JKSUJKDBSA-N 0 3 303.446 4.327 20 30 DIEDHN CC[C@@H](NCc1c(C)cc(C#N)cc1C)c1cccc([N+](=O)[O-])c1 ZINC001616801300 1056720022 /nfs/dbraw/zinc/72/00/22/1056720022.db2.gz JDJBTGUSRCVZLM-LJQANCHMSA-N 0 3 323.396 4.324 20 30 DIEDHN C[C@@H]1CCCC[C@@H]1OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898686 1056734888 /nfs/dbraw/zinc/73/48/88/1056734888.db2.gz GOJWLPYZNTXMLE-UTKZUKDTSA-N 0 3 324.468 4.243 20 30 DIEDHN CSCc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000922073194 1056780800 /nfs/dbraw/zinc/78/08/00/1056780800.db2.gz PIQJPKJNFDFUDV-IBGZPJMESA-N 0 3 308.450 4.198 20 30 DIEDHN CCC#C[C@H](C)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC001617311309 1056808653 /nfs/dbraw/zinc/80/86/53/1056808653.db2.gz RMICZJMEMDSOLG-XHDPSFHLSA-N 0 3 312.226 4.431 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC001617311306 1056811609 /nfs/dbraw/zinc/81/16/09/1056811609.db2.gz RMICZJMEMDSOLG-IAQYHMDHSA-N 0 3 312.226 4.431 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(OC)c(Cl)c2)c1 ZINC000132381038 1056905975 /nfs/dbraw/zinc/90/59/75/1056905975.db2.gz OZHALUDZRQHGOA-UHFFFAOYSA-N 0 3 317.816 4.203 20 30 DIEDHN C#C[C@](C)(CC)NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC001618047594 1056918579 /nfs/dbraw/zinc/91/85/79/1056918579.db2.gz DZHMCZFJQHXJMI-OAQYLSRUSA-N 0 3 316.448 4.278 20 30 DIEDHN CCCCCCCOc1ccc(-c2cc(CNC)ncn2)cc1 ZINC001241218756 1056966933 /nfs/dbraw/zinc/96/69/33/1056966933.db2.gz XBZBRRQFAFAFGY-UHFFFAOYSA-N 0 3 313.445 4.212 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000785468993 1056989440 /nfs/dbraw/zinc/98/94/40/1056989440.db2.gz PIPHKOHMYXGFAJ-AWEZNQCLSA-N 0 3 320.845 4.372 20 30 DIEDHN COCCCCN(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000092507111 1057027602 /nfs/dbraw/zinc/02/76/02/1057027602.db2.gz FFRZDIUZVOBBLW-UHFFFAOYSA-N 0 3 314.454 4.049 20 30 DIEDHN N#Cc1csc(CN2CC[C@H](CSc3ccccc3)C2)c1 ZINC000093757195 1057041459 /nfs/dbraw/zinc/04/14/59/1057041459.db2.gz ZYBRTGAJOFFEKF-AWEZNQCLSA-N 0 3 314.479 4.234 20 30 DIEDHN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000922666260 1057045882 /nfs/dbraw/zinc/04/58/82/1057045882.db2.gz YXXSOGRFOFVEKX-LSDHHAIUSA-N 0 3 312.388 4.276 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)o1)[C@H]1CCCc2cccnc21 ZINC000155219922 1057046183 /nfs/dbraw/zinc/04/61/83/1057046183.db2.gz MHCDXUNLEDEVJY-SFHVURJKSA-N 0 3 309.413 4.082 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cccc(OC(C)C)c2)cc1C#N ZINC000124961102 1057053470 /nfs/dbraw/zinc/05/34/70/1057053470.db2.gz CBGQTUOYWBJPDK-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN CC(C)C[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000330991901 1057054278 /nfs/dbraw/zinc/05/42/78/1057054278.db2.gz ULXZMVHFOQWSQG-KRWDZBQOSA-N 0 3 324.428 4.009 20 30 DIEDHN Cc1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1C#N ZINC000922758834 1057054561 /nfs/dbraw/zinc/05/45/61/1057054561.db2.gz AWEHYWIDLUIBGM-UHFFFAOYSA-N 0 3 318.342 4.261 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)C2CCC2)cc1 ZINC000922888656 1057089832 /nfs/dbraw/zinc/08/98/32/1057089832.db2.gz MRVUCAKHKQITAL-HXUWFJFHSA-N 0 3 324.399 4.337 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018804 1057107852 /nfs/dbraw/zinc/10/78/52/1057107852.db2.gz HKNOLUKADFPSEI-LIRRHRJNSA-N 0 3 309.413 4.008 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@H](CC=C)c2ccncc2)cc1 ZINC000766022848 1057122651 /nfs/dbraw/zinc/12/26/51/1057122651.db2.gz XUFNYCIFWNTFMK-OXJNMPFZSA-N 0 3 306.409 4.062 20 30 DIEDHN N#Cc1cc(F)cc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001241660408 1057126667 /nfs/dbraw/zinc/12/66/67/1057126667.db2.gz QSEFWSMWOISPPA-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000625702379 1057192176 /nfs/dbraw/zinc/19/21/76/1057192176.db2.gz FCCHGVPFGMEINS-QGZVFWFLSA-N 0 3 320.436 4.190 20 30 DIEDHN CCN(CC)Cc1ccc(-c2cccc(OC)c2C#N)cc1F ZINC001242299502 1057326371 /nfs/dbraw/zinc/32/63/71/1057326371.db2.gz PVCFFENZGJKOJA-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cc(C#N)ccc3C)c(C)c2)CC1 ZINC001242541191 1057398464 /nfs/dbraw/zinc/39/84/64/1057398464.db2.gz XSKRNXPOLUGSJE-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(F)cc3C#N)c(C)c2)CC1 ZINC001242581244 1057414095 /nfs/dbraw/zinc/41/40/95/1057414095.db2.gz ZKYPLYDNARCNII-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN COc1ccc(C2=CC(=O)C[C@H](C)C2)c(CN2CCCCC2)c1 ZINC001242742505 1057465427 /nfs/dbraw/zinc/46/54/27/1057465427.db2.gz RWGXEZKGGWWPQK-OAHLLOKOSA-N 0 3 313.441 4.064 20 30 DIEDHN C#CCC1(NCc2csc(-c3ccccn3)n2)CCCCC1 ZINC000922984399 1057519136 /nfs/dbraw/zinc/51/91/36/1057519136.db2.gz SISODXZIUJDFHV-UHFFFAOYSA-N 0 3 311.454 4.021 20 30 DIEDHN C[C@H](NCc1cc(F)cc2cccnc21)c1cccc(C#N)c1 ZINC000611388505 1057594859 /nfs/dbraw/zinc/59/48/59/1057594859.db2.gz PJEQKJQFIHMHFE-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN CCOc1cc(C)ccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393810 1057596384 /nfs/dbraw/zinc/59/63/84/1057596384.db2.gz MMAPGHHALAJNLV-HXUWFJFHSA-N 0 3 320.436 4.433 20 30 DIEDHN Cc1c2ccccc2oc1[C@@H](NCc1ccnc(C#N)c1)C(C)C ZINC000611394126 1057596792 /nfs/dbraw/zinc/59/67/92/1057596792.db2.gz KRJHBVCHJLMEMY-IBGZPJMESA-N 0 3 319.408 4.495 20 30 DIEDHN CC(C)(C)SCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730416547 1057713344 /nfs/dbraw/zinc/71/33/44/1057713344.db2.gz FPTZMIWZOZFYEB-JTQLQIEISA-N 0 3 322.430 4.143 20 30 DIEDHN N#CCOc1ccccc1-c1ccc(F)c(CN2CCCCC2)c1 ZINC001243587554 1057725409 /nfs/dbraw/zinc/72/54/09/1057725409.db2.gz XTIQTJGDDJQPAB-UHFFFAOYSA-N 0 3 324.399 4.381 20 30 DIEDHN Cc1ccc(C2=CCN(Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000731210383 1057737629 /nfs/dbraw/zinc/73/76/29/1057737629.db2.gz JFEFGTVXXAHOGQ-UHFFFAOYSA-N 0 3 318.420 4.187 20 30 DIEDHN C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000731211563 1057738278 /nfs/dbraw/zinc/73/82/78/1057738278.db2.gz ODVXNHGWOLEREW-AWEZNQCLSA-N 0 3 314.816 4.435 20 30 DIEDHN CC[C@@H](C#N)c1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1 ZINC001243670796 1057749820 /nfs/dbraw/zinc/74/98/20/1057749820.db2.gz BEVBKGLHAQVQIZ-KRWDZBQOSA-N 0 3 319.452 4.123 20 30 DIEDHN CC[C@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732901141 1057791713 /nfs/dbraw/zinc/79/17/13/1057791713.db2.gz KBDYHPHCCNOCBZ-CVEARBPZSA-N 0 3 318.376 4.273 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OCCC)cc2)cc1 ZINC000733326162 1057812716 /nfs/dbraw/zinc/81/27/16/1057812716.db2.gz LQZXNBYGVHWSNX-QGZVFWFLSA-N 0 3 323.436 4.338 20 30 DIEDHN C#CCOc1ccc(CNCc2cccc(OCC(C)C)c2)cc1 ZINC000733325458 1057812844 /nfs/dbraw/zinc/81/28/44/1057812844.db2.gz NDHCFGZPODGYRY-UHFFFAOYSA-N 0 3 323.436 4.023 20 30 DIEDHN COc1ccc(-c2cc(C#N)ccc2F)cc1CN1CCCCC1 ZINC001244558903 1057995396 /nfs/dbraw/zinc/99/53/96/1057995396.db2.gz UQQAWNXTTZSZMC-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN CCN(CC)Cc1cc(-c2cc(C#N)ccc2F)ccc1F ZINC001244558173 1057995694 /nfs/dbraw/zinc/99/56/94/1057995694.db2.gz KJJPLXNXVQDZQJ-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CC(C)[C@@H](C#N)c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245426008 1058164595 /nfs/dbraw/zinc/16/45/95/1058164595.db2.gz LQPILRJTEVPKCE-NHCUHLMSSA-N 0 3 324.468 4.218 20 30 DIEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCC1CCCCC1 ZINC001517045409 1058223125 /nfs/dbraw/zinc/22/31/25/1058223125.db2.gz BSTNGFNXEOOPIM-ZDUSSCGKSA-N 0 3 307.825 4.000 20 30 DIEDHN C=CCN(CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC001559493018 1059269619 /nfs/dbraw/zinc/26/96/19/1059269619.db2.gz MOLLOIYKKQHUSO-FXAWDEMLSA-N 0 3 317.473 4.279 20 30 DIEDHN C=CCN(CCO[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC001559493020 1059270003 /nfs/dbraw/zinc/27/00/03/1059270003.db2.gz MOLLOIYKKQHUSO-XLIONFOSSA-N 0 3 317.473 4.279 20 30 DIEDHN C#CCN(Cc1cc(O)cc(C(F)(F)F)c1)C1CCCCC1 ZINC001559514320 1059312542 /nfs/dbraw/zinc/31/25/42/1059312542.db2.gz YZQWRRVJTBGDTR-UHFFFAOYSA-N 0 3 311.347 4.179 20 30 DIEDHN CCC#C[C@H](C)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001559556160 1059370924 /nfs/dbraw/zinc/37/09/24/1059370924.db2.gz UCEMLYXGIQKXKR-AWEZNQCLSA-N 0 3 320.274 4.214 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001531541243 1059350061 /nfs/dbraw/zinc/35/00/61/1059350061.db2.gz XVQVERBSQMZVPY-MSOLQXFVSA-N 0 3 310.526 4.316 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001531541244 1059351090 /nfs/dbraw/zinc/35/10/90/1059351090.db2.gz XVQVERBSQMZVPY-QZTJIDSGSA-N 0 3 310.526 4.316 20 30 DIEDHN C=CCCCCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC001559552520 1059362566 /nfs/dbraw/zinc/36/25/66/1059362566.db2.gz DXPSCZMQVFNBFZ-UHFFFAOYSA-N 0 3 306.519 4.175 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001531655711 1059384866 /nfs/dbraw/zinc/38/48/66/1059384866.db2.gz GODICBGQTZEWED-XLIONFOSSA-N 0 3 322.537 4.364 20 30 DIEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccc(CC#N)cc1 ZINC001559658181 1059485224 /nfs/dbraw/zinc/48/52/24/1059485224.db2.gz CGHMOYVAINMQGV-CABCVRRESA-N 0 3 308.400 4.400 20 30 DIEDHN CCCCCCCCCN1CCN(C(=O)C2CC2)CC1(C)C ZINC001559713163 1059537953 /nfs/dbraw/zinc/53/79/53/1059537953.db2.gz INZQQABRVVEMKF-UHFFFAOYSA-N 0 3 308.510 4.070 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001532310995 1059584648 /nfs/dbraw/zinc/58/46/48/1059584648.db2.gz GTVYGLOEHCYLQW-SJORKVTESA-N 0 3 310.526 4.362 20 30 DIEDHN Cc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1C#N ZINC001559769156 1059604521 /nfs/dbraw/zinc/60/45/21/1059604521.db2.gz TXCQNIODTIMEIU-ZDUSSCGKSA-N 0 3 307.422 4.327 20 30 DIEDHN C=CCN(C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001559769952 1059607813 /nfs/dbraw/zinc/60/78/13/1059607813.db2.gz WBMRZZNRQFKJHN-UHFFFAOYSA-N 0 3 303.352 4.162 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830985 1059665281 /nfs/dbraw/zinc/66/52/81/1059665281.db2.gz TXACMOYKUPKITC-WBMJQRKESA-N 0 3 311.347 4.428 20 30 DIEDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879678 1059699333 /nfs/dbraw/zinc/69/93/33/1059699333.db2.gz OTARGGYTCHLLAH-CZUORRHYSA-N 0 3 315.417 4.113 20 30 DIEDHN C=CCCC[C@H](NCc1ccc(N(C)C)nc1)c1ccccc1 ZINC001560109265 1059915660 /nfs/dbraw/zinc/91/56/60/1059915660.db2.gz XKHYCRNKUSCJOT-IBGZPJMESA-N 0 3 309.457 4.335 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cccc(Oc3ccccc3OC)c2)C1 ZINC001248759990 1059969290 /nfs/dbraw/zinc/96/92/90/1059969290.db2.gz ZDUQETYVCPRSIJ-KRWDZBQOSA-N 0 3 321.420 4.333 20 30 DIEDHN CN(CCCc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC001560181902 1059972219 /nfs/dbraw/zinc/97/22/19/1059972219.db2.gz ZJGJVAVWXLVLBY-UHFFFAOYSA-N 0 3 304.846 4.338 20 30 DIEDHN C#CCOc1ccccc1CNC/C=C\c1cc(C)c(C)cc1C ZINC001560338281 1060123244 /nfs/dbraw/zinc/12/32/44/1060123244.db2.gz RHKZYSDKPAYEDZ-NTMALXAHSA-N 0 3 319.448 4.427 20 30 DIEDHN N#Cc1ccc2cc(CN3CC[C@H](c4cccc(F)c4)C3)[nH]c2c1 ZINC001249429778 1060247694 /nfs/dbraw/zinc/24/76/94/1060247694.db2.gz PFDLTDJXXNDVLS-KRWDZBQOSA-N 0 3 319.383 4.168 20 30 DIEDHN N#Cc1ccc2cc(CN3CC[C@@H](c4cccc(F)c4)C3)[nH]c2c1 ZINC001249429779 1060248152 /nfs/dbraw/zinc/24/81/52/1060248152.db2.gz PFDLTDJXXNDVLS-QGZVFWFLSA-N 0 3 319.383 4.168 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC4(CC[C@H](F)C4)CC3)[nH]c2c1 ZINC001249429568 1060249878 /nfs/dbraw/zinc/24/98/78/1060249878.db2.gz HKZWJUVWVYHTLZ-INIZCTEOSA-N 0 3 311.404 4.144 20 30 DIEDHN Cc1ccc(CN(C)Cc2cc3ccc(C#N)cc3[nH]2)cc1C ZINC001249430569 1060249927 /nfs/dbraw/zinc/24/99/27/1060249927.db2.gz YCAADOJZVGPGQU-UHFFFAOYSA-N 0 3 303.409 4.288 20 30 DIEDHN C#C[C@H]1CCCN(Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503824 1060266945 /nfs/dbraw/zinc/26/69/45/1060266945.db2.gz JGBUWSBQMRKQFZ-INIZCTEOSA-N 0 3 307.393 4.030 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)c1oc2c(c1C)c(C)ccc2C ZINC001526593409 1060270890 /nfs/dbraw/zinc/27/08/90/1060270890.db2.gz GBPSBMUSLFQCSE-AWEZNQCLSA-N 0 3 321.380 4.065 20 30 DIEDHN C#CCN(Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001249525111 1060277452 /nfs/dbraw/zinc/27/74/52/1060277452.db2.gz YXXVQQYAYXRYHA-HXUWFJFHSA-N 0 3 318.395 4.430 20 30 DIEDHN C#Cc1cccc(CNCc2ccc3cc(OC)ccc3c2)c1 ZINC001560503736 1060298384 /nfs/dbraw/zinc/29/83/84/1060298384.db2.gz VGSNDNHKVKNXFL-UHFFFAOYSA-N 0 3 301.389 4.120 20 30 DIEDHN C#CCN(Cc1ccc(Oc2cccc(F)c2)cc1)CC1CC1 ZINC001560671525 1060500518 /nfs/dbraw/zinc/50/05/18/1060500518.db2.gz HKUCSJXWVSUGSE-UHFFFAOYSA-N 0 3 309.384 4.463 20 30 DIEDHN C=CCCCCN(C)Cc1ccnc(OCc2ccccc2)c1 ZINC001249977261 1060516598 /nfs/dbraw/zinc/51/65/98/1060516598.db2.gz KWRZSJADJRIEAD-UHFFFAOYSA-N 0 3 310.441 4.449 20 30 DIEDHN C=CC[N@@H+](Cc1cc(C)c(Br)cc1[O-])C(C)(C)C ZINC001250133254 1060634795 /nfs/dbraw/zinc/63/47/95/1060634795.db2.gz KCTKVNRQNSXAFS-UHFFFAOYSA-N 0 3 312.251 4.250 20 30 DIEDHN C=CC[N@H+](Cc1cc(C)c(Br)cc1[O-])C(C)(C)C ZINC001250133254 1060634803 /nfs/dbraw/zinc/63/48/03/1060634803.db2.gz KCTKVNRQNSXAFS-UHFFFAOYSA-N 0 3 312.251 4.250 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)[C@@H]1CCC(C)(C)C1 ZINC001560804198 1060664138 /nfs/dbraw/zinc/66/41/38/1060664138.db2.gz VIWFEZWEPJJYFP-CQSZACIVSA-N 0 3 305.849 4.363 20 30 DIEDHN C#C[C@@H](N[C@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854242 1060712473 /nfs/dbraw/zinc/71/24/73/1060712473.db2.gz DQZQGCTYLCTMIC-MLGOLLRUSA-N 0 3 306.247 4.292 20 30 DIEDHN C#CC[C@@H]1CCCN(Cc2ccc(C)c(Br)c2C)C1 ZINC001560901203 1060764652 /nfs/dbraw/zinc/76/46/52/1060764652.db2.gz NPIISTVPMJUIPJ-OAHLLOKOSA-N 0 3 320.274 4.301 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC001560906152 1060768302 /nfs/dbraw/zinc/76/83/02/1060768302.db2.gz CSSPXIFDAZKXNZ-GFCCVEGCSA-N 0 3 318.214 4.041 20 30 DIEDHN N#Cc1cc(-c2cccc(CN3CCCCC3)c2F)ccc1F ZINC001250637743 1060972994 /nfs/dbraw/zinc/97/29/94/1060972994.db2.gz PZWSNGQRWFRKAL-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCCCO[C@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260046 1061033346 /nfs/dbraw/zinc/03/33/46/1061033346.db2.gz PRPYIWGAZUACPU-OALUTQOASA-N 0 3 317.448 4.093 20 30 DIEDHN Cc1ccc(CC2CCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC001473300539 1061065792 /nfs/dbraw/zinc/06/57/92/1061065792.db2.gz LWVKAWMFSUJZPC-UHFFFAOYSA-N 0 3 322.427 4.461 20 30 DIEDHN C#C[C@H](N[C@@H]1C[C@@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303785 1061091521 /nfs/dbraw/zinc/09/15/21/1061091521.db2.gz INANBQFDKCBLGU-GVDBMIGSSA-N 0 3 305.849 4.198 20 30 DIEDHN C#CC[C@@H](NCc1cnc2ccc(C)cc2c1)c1ccccc1 ZINC001473332191 1061092802 /nfs/dbraw/zinc/09/28/02/1061092802.db2.gz USAJAHKRZSHKQV-HXUWFJFHSA-N 0 3 300.405 4.397 20 30 DIEDHN CCSc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC001462311364 1061098803 /nfs/dbraw/zinc/09/88/03/1061098803.db2.gz YSOYBDOZIIWIQI-UHFFFAOYSA-N 0 3 300.402 4.099 20 30 DIEDHN Cc1cc(C)c(/C=C\CNCc2ccc(C#N)c(F)c2)c(C)c1 ZINC001462347051 1061119571 /nfs/dbraw/zinc/11/95/71/1061119571.db2.gz GVEWYOVEJHEIOP-PLNGDYQASA-N 0 3 308.400 4.426 20 30 DIEDHN C=C(C)[C@H](NCCN(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC001473400885 1061135920 /nfs/dbraw/zinc/13/59/20/1061135920.db2.gz VIVUDLWPCHCJJT-IBGZPJMESA-N 0 3 316.395 4.308 20 30 DIEDHN CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473422147 1061150794 /nfs/dbraw/zinc/15/07/94/1061150794.db2.gz MHGRAWUUMMOXSS-HNNXBMFYSA-N 0 3 322.399 4.418 20 30 DIEDHN CCCCCCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC001473444824 1061163151 /nfs/dbraw/zinc/16/31/51/1061163151.db2.gz OWSMNXVYKXTSNN-INIZCTEOSA-N 0 3 308.441 4.424 20 30 DIEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440446 1061174257 /nfs/dbraw/zinc/17/42/57/1061174257.db2.gz NIPJNPUCHTWZTM-SJORKVTESA-N 0 3 304.478 4.178 20 30 DIEDHN Cc1cc(CN2CC[C@H](c3c(F)cccc3F)C2)ccc1C#N ZINC001462576733 1061274167 /nfs/dbraw/zinc/27/41/67/1061274167.db2.gz FWJJBCGDIVKMDI-INIZCTEOSA-N 0 3 312.363 4.134 20 30 DIEDHN Clc1cccc(C#CCN2CCC[C@H](OC3CCC3)CC2)c1 ZINC001473727355 1061375522 /nfs/dbraw/zinc/37/55/22/1061375522.db2.gz FNQVFUYDMYUXKJ-IBGZPJMESA-N 0 3 317.860 4.115 20 30 DIEDHN C#CCN(Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C(C)C ZINC001473819050 1061423371 /nfs/dbraw/zinc/42/33/71/1061423371.db2.gz JBKJOIMBCGCFJG-UHFFFAOYSA-N 0 3 311.425 4.068 20 30 DIEDHN C=CCCCN(CC)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC001473861578 1061437921 /nfs/dbraw/zinc/43/79/21/1061437921.db2.gz CIKZJUNNUYWXHF-QGZVFWFLSA-N 0 3 322.518 4.240 20 30 DIEDHN CCCCCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001457796352 1061503860 /nfs/dbraw/zinc/50/38/60/1061503860.db2.gz MHANEEHRICQQMR-IBGZPJMESA-N 0 3 316.489 4.080 20 30 DIEDHN CC(C)(C)c1ccccc1OCCNCc1csc(C#N)c1 ZINC001473994253 1061537065 /nfs/dbraw/zinc/53/70/65/1061537065.db2.gz VNQMGZPLUSUBGN-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN CCCCCCCC[C@@H](O)CN1CCc2ccc(C#N)cc2C1 ZINC001252123321 1061582712 /nfs/dbraw/zinc/58/27/12/1061582712.db2.gz FYMJUCNNKZXMLO-HXUWFJFHSA-N 0 3 314.473 4.028 20 30 DIEDHN CCCCCCCC[C@H](O)CN[C@H](c1cccnc1F)C1CC1 ZINC001252139570 1061596447 /nfs/dbraw/zinc/59/64/47/1061596447.db2.gz PMEYUTDNYAUZSP-WMZOPIPTSA-N 0 3 322.468 4.373 20 30 DIEDHN CCCCCCCC[C@@H](O)CN[C@@H](c1cccnc1F)C1CC1 ZINC001252139569 1061597595 /nfs/dbraw/zinc/59/75/95/1061597595.db2.gz PMEYUTDNYAUZSP-SJLPKXTDSA-N 0 3 322.468 4.373 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1cccc(OC)c1F ZINC001252140311 1061601177 /nfs/dbraw/zinc/60/11/77/1061601177.db2.gz PNEKIANGQPWXSQ-INIZCTEOSA-N 0 3 311.441 4.035 20 30 DIEDHN C#Cc1cccc(CNCc2cc(F)cc(C(F)(F)F)c2)c1 ZINC001474178552 1061725055 /nfs/dbraw/zinc/72/50/55/1061725055.db2.gz JXHWBJGZEFNNKW-UHFFFAOYSA-N 0 3 307.290 4.116 20 30 DIEDHN N#CCc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC001474192196 1061742682 /nfs/dbraw/zinc/74/26/82/1061742682.db2.gz MXVOBMDZSWOEER-UHFFFAOYSA-N 0 3 305.208 4.349 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nccc(C)c1Br ZINC001474207951 1061764356 /nfs/dbraw/zinc/76/43/56/1061764356.db2.gz MELCNXNQWAWSNE-KGLIPLIRSA-N 0 3 323.278 4.377 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cccc(F)n1 ZINC001252985797 1061776773 /nfs/dbraw/zinc/77/67/73/1061776773.db2.gz HIIAZLTUGGYFOZ-KRWDZBQOSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cncn1C(C)C ZINC001252989107 1061779406 /nfs/dbraw/zinc/77/94/06/1061779406.db2.gz MYSODCUCWLUHRC-IBGZPJMESA-N 0 3 323.525 4.445 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ccc(OC)cn1 ZINC001252987732 1061779512 /nfs/dbraw/zinc/77/95/12/1061779512.db2.gz WIPSIHATMCRFLU-SFHVURJKSA-N 0 3 322.493 4.072 20 30 DIEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1c(Cl)cccc1Cl)C2 ZINC001474245558 1061810947 /nfs/dbraw/zinc/81/09/47/1061810947.db2.gz RQCMLBIGGSZJOD-AWEZNQCLSA-N 0 3 317.219 4.122 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN1CCN(CCCCCC)CC1 ZINC001253240126 1061837077 /nfs/dbraw/zinc/83/70/77/1061837077.db2.gz ZQLWZJKTWRVWBG-HXUWFJFHSA-N 0 3 324.553 4.072 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1nc2ccccc2s1 ZINC001253246764 1061847610 /nfs/dbraw/zinc/84/76/10/1061847610.db2.gz UHFLJROPPMRXED-OAHLLOKOSA-N 0 3 318.486 4.273 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1ccc2ccccc2n1 ZINC001253248117 1061850033 /nfs/dbraw/zinc/85/00/33/1061850033.db2.gz QKFNVUXATICGEF-LJQANCHMSA-N 0 3 312.457 4.212 20 30 DIEDHN C=CCCCCCC[C@H](O)CNC(C)(C)c1cc(Cl)ccn1 ZINC001253256820 1061859853 /nfs/dbraw/zinc/85/98/53/1061859853.db2.gz GDGVAMOBEDQZOA-INIZCTEOSA-N 0 3 324.896 4.447 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H](C)c1cccc(F)c1OC ZINC001253257185 1061861736 /nfs/dbraw/zinc/86/17/36/1061861736.db2.gz OHRRKEZLFROQFP-JKSUJKDBSA-N 0 3 323.452 4.372 20 30 DIEDHN CCCCCCCCCCCC[C@H](O)CNCc1cncn1C ZINC001253562976 1061927321 /nfs/dbraw/zinc/92/73/21/1061927321.db2.gz HQAJTTCLUZSSIO-IBGZPJMESA-N 0 3 323.525 4.182 20 30 DIEDHN Cc1ccc([C@H]2C[C@@H](C)N(Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482751 1062161925 /nfs/dbraw/zinc/16/19/25/1062161925.db2.gz HIYZRRXDSMXKPG-QAPCUYQASA-N 0 3 308.400 4.384 20 30 DIEDHN CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001459494537 1062169299 /nfs/dbraw/zinc/16/92/99/1062169299.db2.gz WUMODQDBFINQSL-INIZCTEOSA-N 0 3 315.417 4.115 20 30 DIEDHN C#C[C@H](N[C@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558327 1062261196 /nfs/dbraw/zinc/26/11/96/1062261196.db2.gz ZXAFXVGXALONLM-ACJLOTCBSA-N 0 3 301.792 4.374 20 30 DIEDHN C#CCCCCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC001459693212 1062309398 /nfs/dbraw/zinc/30/93/98/1062309398.db2.gz NRLMEVDLGBXHLV-NRFANRHFSA-N 0 3 306.453 4.477 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001474619069 1062339951 /nfs/dbraw/zinc/33/99/51/1062339951.db2.gz MMZZGRLKUUSOAB-CYBMUJFWSA-N 0 3 309.837 4.145 20 30 DIEDHN CC[C@@H](CC#N)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001255177444 1062351720 /nfs/dbraw/zinc/35/17/20/1062351720.db2.gz RYYDSNGFLYMWDM-JKSUJKDBSA-N 0 3 321.262 4.148 20 30 DIEDHN CCC#C[C@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760470 1062369948 /nfs/dbraw/zinc/36/99/48/1062369948.db2.gz MSZVOUVZNZBLHA-GXTWGEPZSA-N 0 3 312.240 4.248 20 30 DIEDHN C=CCOCCN1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001459788474 1062399781 /nfs/dbraw/zinc/39/97/81/1062399781.db2.gz UADWVFXZFATSKU-AVRDEDQJSA-N 0 3 321.464 4.268 20 30 DIEDHN CN(CCc1cccc(C#N)c1)Cc1ccsc1C(F)(F)F ZINC001474674527 1062405951 /nfs/dbraw/zinc/40/59/51/1062405951.db2.gz GRFASEQSZFIMPM-UHFFFAOYSA-N 0 3 324.371 4.313 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839339 1062438358 /nfs/dbraw/zinc/43/83/58/1062438358.db2.gz HDSCCBZQVLRIRN-HOTGVXAUSA-N 0 3 303.446 4.183 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@@H](OC(C)C)c1ccccc1 ZINC001459838386 1062438503 /nfs/dbraw/zinc/43/85/03/1062438503.db2.gz UBUXDHBSHYTTQE-HXUWFJFHSA-N 0 3 313.441 4.476 20 30 DIEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC001459913998 1062492828 /nfs/dbraw/zinc/49/28/28/1062492828.db2.gz XWKNYRPUZTUHQQ-INIZCTEOSA-N 0 3 307.412 4.407 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC001459929574 1062501333 /nfs/dbraw/zinc/50/13/33/1062501333.db2.gz FBBQGPIBEOITOK-DZGCQCFKSA-N 0 3 310.363 4.338 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978281 1062541485 /nfs/dbraw/zinc/54/14/85/1062541485.db2.gz DAFCLJYKKGZLHS-WMLDXEAASA-N 0 3 309.400 4.377 20 30 DIEDHN C[C@@H](Cc1cccc(Br)c1)N1CCC(CC#N)CC1 ZINC001256188465 1062746047 /nfs/dbraw/zinc/74/60/47/1062746047.db2.gz SMVRZTKGMDPHON-ZDUSSCGKSA-N 0 3 321.262 4.006 20 30 DIEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CC2(CCCCC2)O1 ZINC001460317550 1062775581 /nfs/dbraw/zinc/77/55/81/1062775581.db2.gz LUVRZWVNWBXPHU-QGZVFWFLSA-N 0 3 304.478 4.274 20 30 DIEDHN C=CCN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)C(C)(C)C ZINC001460440578 1062858273 /nfs/dbraw/zinc/85/82/73/1062858273.db2.gz BGRQOJAMIZSHJC-MRXNPFEDSA-N 0 3 322.518 4.238 20 30 DIEDHN C=CCN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C ZINC001460442583 1062859975 /nfs/dbraw/zinc/85/99/75/1062859975.db2.gz DINJVBKMWGLGHB-AWEZNQCLSA-N 0 3 322.880 4.146 20 30 DIEDHN C=CCN(CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C(C)(C)C ZINC001460442585 1062861734 /nfs/dbraw/zinc/86/17/34/1062861734.db2.gz DINJVBKMWGLGHB-CQSZACIVSA-N 0 3 322.880 4.146 20 30 DIEDHN Cc1nc(CNC2CCC(c3ccc(C#N)cc3)CC2)cs1 ZINC001257008315 1063075744 /nfs/dbraw/zinc/07/57/44/1063075744.db2.gz JOYUQIXTQQAORS-UHFFFAOYSA-N 0 3 311.454 4.139 20 30 DIEDHN C[C@@H](NC1CCC(c2ccc(C#N)cc2)CC1)c1cscn1 ZINC001257010638 1063078342 /nfs/dbraw/zinc/07/83/42/1063078342.db2.gz DUMFKUYPGBRRIV-NVPAJSRCSA-N 0 3 311.454 4.392 20 30 DIEDHN N#Cc1ccc(C2CCC(N3CCc4ccncc4C3)CC2)cc1 ZINC001257021348 1063086156 /nfs/dbraw/zinc/08/61/56/1063086156.db2.gz ULFOGKCJWKTARQ-UHFFFAOYSA-N 0 3 317.436 4.038 20 30 DIEDHN CCC[C@@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC001460896323 1063123897 /nfs/dbraw/zinc/12/38/97/1063123897.db2.gz AXJHIDRXNPVEEZ-CQSZACIVSA-N 0 3 307.235 4.085 20 30 DIEDHN COc1ccc2cc(CC[C@@H](C)N3CC(CC#N)C3)ccc2c1 ZINC001257278815 1063176277 /nfs/dbraw/zinc/17/62/77/1063176277.db2.gz SHGGWOSCAKLSIY-OAHLLOKOSA-N 0 3 308.425 4.015 20 30 DIEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275363 1063178151 /nfs/dbraw/zinc/17/81/51/1063178151.db2.gz RVOLFINNHDZXQJ-BEFAXECRSA-N 0 3 310.441 4.451 20 30 DIEDHN CCCCCCCCCC[C@@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001257545959 1063328987 /nfs/dbraw/zinc/32/89/87/1063328987.db2.gz AZRTVIZJYNJQMQ-SJORKVTESA-N 0 3 309.498 4.007 20 30 DIEDHN C=CCCCCN(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC001473104301 1063401534 /nfs/dbraw/zinc/40/15/34/1063401534.db2.gz IZXNZGXMZVKIFQ-SFHVURJKSA-N 0 3 303.446 4.033 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCCC1(F)F ZINC001473131823 1063438765 /nfs/dbraw/zinc/43/87/65/1063438765.db2.gz NVHRVJNMRNJWOO-QGZVFWFLSA-N 0 3 304.384 4.372 20 30 DIEDHN C=CCCCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001473156689 1063458682 /nfs/dbraw/zinc/45/86/82/1063458682.db2.gz JJYIWUOXBJLZKJ-SFHVURJKSA-N 0 3 316.489 4.120 20 30 DIEDHN C=CCN(CC(=O)NCCC1CCCCC1)CC1CCCCC1 ZINC001473164116 1063467271 /nfs/dbraw/zinc/46/72/71/1063467271.db2.gz SODGUQOEUQQOCG-UHFFFAOYSA-N 0 3 320.521 4.141 20 30 DIEDHN Cc1c2ccccc2n(C)c1CNC1(c2cccc(C#N)c2)CC1 ZINC001461500408 1063541705 /nfs/dbraw/zinc/54/17/05/1063541705.db2.gz VTSANNMQXFQHEI-UHFFFAOYSA-N 0 3 315.420 4.137 20 30 DIEDHN C[C@@H](CC(C)(C)SCc1ccco1)NCC1(C#N)CCC1 ZINC001258297293 1063595691 /nfs/dbraw/zinc/59/56/91/1063595691.db2.gz HHVBOPTYAHJTFQ-AWEZNQCLSA-N 0 3 306.475 4.353 20 30 DIEDHN C[C@H]1Cc2cc(CNC3(c4ccc(C#N)cc4)CCC3)ccc2O1 ZINC001461613615 1063613728 /nfs/dbraw/zinc/61/37/28/1063613728.db2.gz WDRGUVXTYMIFBC-HNNXBMFYSA-N 0 3 318.420 4.051 20 30 DIEDHN C=CCCC(C)(C)CNCc1ncc(Br)cc1F ZINC001461676492 1063650752 /nfs/dbraw/zinc/65/07/52/1063650752.db2.gz PJAPXTOOFASWOO-UHFFFAOYSA-N 0 3 315.230 4.065 20 30 DIEDHN CC(C)N(Cc1cccn1C(F)F)Cc1ccc(C#N)cc1 ZINC001461876469 1063767012 /nfs/dbraw/zinc/76/70/12/1063767012.db2.gz VHIGLBMNODTUOC-UHFFFAOYSA-N 0 3 303.356 4.165 20 30 DIEDHN C=CCC[C@@H](C)NCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001258723605 1063776616 /nfs/dbraw/zinc/77/66/16/1063776616.db2.gz ZXTFOVLKCZBVNO-CQSZACIVSA-N 0 3 303.837 4.029 20 30 DIEDHN C=CCC[C@@H](C)N1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001258725371 1063778474 /nfs/dbraw/zinc/77/84/74/1063778474.db2.gz KRTFNIXMGXLJAU-QZTJIDSGSA-N 0 3 314.473 4.451 20 30 DIEDHN C=CCC[C@H](C)N1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001258725376 1063779686 /nfs/dbraw/zinc/77/96/86/1063779686.db2.gz KRTFNIXMGXLJAU-ZWKOTPCHSA-N 0 3 314.473 4.451 20 30 DIEDHN C=CCC[C@@H](C)NCc1csc(-c2cccc(OC)c2)n1 ZINC001258725263 1063779896 /nfs/dbraw/zinc/77/98/96/1063779896.db2.gz IKPVCBHYPLYNKL-CYBMUJFWSA-N 0 3 302.443 4.263 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)C1CCC(C)CC1 ZINC001461937266 1063822705 /nfs/dbraw/zinc/82/27/05/1063822705.db2.gz WRIZZZSGIXWNHR-UHFFFAOYSA-N 0 3 305.849 4.363 20 30 DIEDHN C#CC[C@H](NCc1ccc(OC)c(OC2CC2)c1)c1ccccc1 ZINC001261787959 1063946633 /nfs/dbraw/zinc/94/66/33/1063946633.db2.gz HLHATIZPMCLNRU-IBGZPJMESA-N 0 3 321.420 4.091 20 30 DIEDHN N#CC(C(=O)CC(C1CCC1)C1CCC1)c1cccc(F)n1 ZINC001263385809 1063983855 /nfs/dbraw/zinc/98/38/55/1063983855.db2.gz BXGLOQGRWQCNJC-HNNXBMFYSA-N 0 3 300.377 4.003 20 30 DIEDHN C=CCCCCCCCN1CC2(C[C@@H]2C(=O)N(CC)C(C)C)C1 ZINC001279834021 1064368158 /nfs/dbraw/zinc/36/81/58/1064368158.db2.gz CMCCFSQIQPRCPR-GOSISDBHSA-N 0 3 320.521 4.092 20 30 DIEDHN CCN(CC#Cc1ccc(Cl)cc1)CCc1cccs1 ZINC001307434545 1065393322 /nfs/dbraw/zinc/39/33/22/1065393322.db2.gz XFOVSVJRGCBGPT-UHFFFAOYSA-N 0 3 303.858 4.318 20 30 DIEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC001307450147 1065407065 /nfs/dbraw/zinc/40/70/65/1065407065.db2.gz KVVVCLJABSQDHE-HNNXBMFYSA-N 0 3 321.262 4.331 20 30 DIEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCOc2cccc(C#N)c2)o1 ZINC001307497187 1065442462 /nfs/dbraw/zinc/44/24/62/1065442462.db2.gz RANXCDQNLZIVNZ-BEFAXECRSA-N 0 3 324.424 4.312 20 30 DIEDHN CCO[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552183 1065478359 /nfs/dbraw/zinc/47/83/59/1065478359.db2.gz SVDWSAGXWFLFFJ-MOPGFXCFSA-N 0 3 317.448 4.093 20 30 DIEDHN CCO[C@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552185 1065478778 /nfs/dbraw/zinc/47/87/78/1065478778.db2.gz SVDWSAGXWFLFFJ-OALUTQOASA-N 0 3 317.448 4.093 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@@H](OC)c1ccc(Cl)cc1 ZINC001307620573 1065523217 /nfs/dbraw/zinc/52/32/17/1065523217.db2.gz IORPICSULNGKHP-GOSISDBHSA-N 0 3 319.832 4.351 20 30 DIEDHN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC001307762336 1065608892 /nfs/dbraw/zinc/60/88/92/1065608892.db2.gz JKWMGTPBCINLAN-MRXNPFEDSA-N 0 3 311.828 4.018 20 30 DIEDHN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001307832146 1065644278 /nfs/dbraw/zinc/64/42/78/1065644278.db2.gz ITNGLMJAPNTKHF-VQTJNVASSA-N 0 3 308.400 4.465 20 30 DIEDHN C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC001307858601 1065655303 /nfs/dbraw/zinc/65/53/03/1065655303.db2.gz FWKFJBLJNMNGMM-ZIAGYGMSSA-N 0 3 311.347 4.057 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1c[nH]c(=O)c2ccccc12 ZINC001307861824 1065658537 /nfs/dbraw/zinc/65/85/37/1065658537.db2.gz YJQBNTNDQIIXIP-CQSZACIVSA-N 0 3 317.392 4.005 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H](C3CCCCC3)C2)c1F ZINC001307957630 1065700298 /nfs/dbraw/zinc/70/02/98/1065700298.db2.gz ICLMSLDPYMSVTR-QGZVFWFLSA-N 0 3 300.421 4.490 20 30 DIEDHN C[C@]12CCCC[C@H]1CN2CC#Cc1ccc(C(F)(F)F)cc1 ZINC001307977477 1065710703 /nfs/dbraw/zinc/71/07/03/1065710703.db2.gz PZGNHIPCUYGFFP-IRXDYDNUSA-N 0 3 307.359 4.321 20 30 DIEDHN C#CCN(CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC001308096486 1065760473 /nfs/dbraw/zinc/76/04/73/1065760473.db2.gz LFXMDRHHHDNLAL-UHFFFAOYSA-N 0 3 316.448 4.230 20 30 DIEDHN C#C[C@@H]1CCCCN1Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001308140154 1065777517 /nfs/dbraw/zinc/77/75/17/1065777517.db2.gz DQJJGKTUWSYSRB-QGZVFWFLSA-N 0 3 314.429 4.021 20 30 DIEDHN C=C(CNCc1cc(O)cc(C(F)(F)F)c1)c1ccccc1 ZINC001308248823 1065854976 /nfs/dbraw/zinc/85/49/76/1065854976.db2.gz PEDHJJVUXGFAKE-UHFFFAOYSA-N 0 3 307.315 4.214 20 30 DIEDHN C=CCOc1ccccc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001308271289 1065870229 /nfs/dbraw/zinc/87/02/29/1065870229.db2.gz MSGAPGUNXFFKGG-FPLPWBNLSA-N 0 3 322.452 4.120 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCc1csc(C#N)c1 ZINC001308276471 1065876420 /nfs/dbraw/zinc/87/64/20/1065876420.db2.gz NCGREGSRJAMKGG-MEDUHNTESA-N 0 3 320.845 4.139 20 30 DIEDHN C#Cc1ccc(CNCc2cnc(-c3ccsc3)s2)cc1 ZINC001308410239 1065969187 /nfs/dbraw/zinc/96/91/87/1065969187.db2.gz OKOCCZDTYJVFKM-UHFFFAOYSA-N 0 3 310.447 4.143 20 30 DIEDHN C#CC1(NCc2ccc(OC)c(OCCC(C)C)c2)CCCC1 ZINC001308500038 1066029544 /nfs/dbraw/zinc/02/95/44/1066029544.db2.gz HDGQPJFQGFQDBZ-UHFFFAOYSA-N 0 3 315.457 4.156 20 30 DIEDHN C#C[C@H]1CC[C@H](NCc2csc(-c3cccs3)n2)CC1 ZINC001308510815 1066037287 /nfs/dbraw/zinc/03/72/87/1066037287.db2.gz XWQQAYFVNYCIRZ-JOCQHMNTSA-N 0 3 302.468 4.153 20 30 DIEDHN CCN(Cc1ccc(C)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001308619470 1066121698 /nfs/dbraw/zinc/12/16/98/1066121698.db2.gz NPEGQFANRYGSFO-INIZCTEOSA-N 0 3 308.425 4.458 20 30 DIEDHN C#CCN(C/C=C/c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001308635980 1066130567 /nfs/dbraw/zinc/13/05/67/1066130567.db2.gz ZZIGEECHWSWQDX-YAQIIAKESA-N 0 3 305.396 4.462 20 30 DIEDHN Cc1cc(CN(C)CCOc2cccc(Cl)c2)ccc1C#N ZINC001308652811 1066137750 /nfs/dbraw/zinc/13/77/50/1066137750.db2.gz FWODJEDPFVWBST-UHFFFAOYSA-N 0 3 314.816 4.031 20 30 DIEDHN C#C[C@@H](NCCCCCOc1ccccc1)c1ccc(F)cc1 ZINC001308787936 1066262288 /nfs/dbraw/zinc/26/22/88/1066262288.db2.gz ZNODDQHAWJRSDZ-HXUWFJFHSA-N 0 3 311.400 4.339 20 30 DIEDHN C=CCC[C@H](NCc1ccc(F)c(CN(C)C)c1)c1ccco1 ZINC000286258693 335030786 /nfs/dbraw/zinc/03/07/86/335030786.db2.gz USQGFQIFEYGDNR-SFHVURJKSA-N 0 3 316.420 4.277 20 30 DIEDHN Cc1nc2ccc(CN(C)Cc3ccc(C#N)cc3)cc2s1 ZINC000426036533 335042160 /nfs/dbraw/zinc/04/21/60/335042160.db2.gz ONTJUKOPCSPPCB-UHFFFAOYSA-N 0 3 307.422 4.108 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000287534682 335044443 /nfs/dbraw/zinc/04/44/43/335044443.db2.gz PCEXUOHWGXBWPN-HNNXBMFYSA-N 0 3 309.409 4.132 20 30 DIEDHN Cc1cc2c(cc1C)[C@H](NCc1cccc(C#N)c1)CCCO2 ZINC000151383535 196673263 /nfs/dbraw/zinc/67/32/63/196673263.db2.gz OYFGNJIQLPNZDL-LJQANCHMSA-N 0 3 306.409 4.179 20 30 DIEDHN N#Cc1csc(CN2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)n1 ZINC000564537469 335057854 /nfs/dbraw/zinc/05/78/54/335057854.db2.gz VNZFXEKCERWZLY-KSZLIROESA-N 0 3 323.465 4.173 20 30 DIEDHN N#Cc1csc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC000564537473 335058204 /nfs/dbraw/zinc/05/82/04/335058204.db2.gz VNZFXEKCERWZLY-KZNAEPCWSA-N 0 3 323.465 4.173 20 30 DIEDHN CN(Cc1ccccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273400112 130117476 /nfs/dbraw/zinc/11/74/76/130117476.db2.gz GSNRFUKNSUSZFV-VQTJNVASSA-N 0 3 324.399 4.049 20 30 DIEDHN CN(Cc1ccccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273400110 130117589 /nfs/dbraw/zinc/11/75/89/130117589.db2.gz GSNRFUKNSUSZFV-UXHICEINSA-N 0 3 324.399 4.049 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(SC)cc2)ccc1C#N ZINC000281567049 130871427 /nfs/dbraw/zinc/87/14/27/130871427.db2.gz CHYKJZIQDOMSLN-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN CN(Cc1cc(C#N)ccc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288788393 131339296 /nfs/dbraw/zinc/33/92/96/131339296.db2.gz JZONJHSMMFNAJH-OKILXGFUSA-N 0 3 314.326 4.250 20 30 DIEDHN N#Cc1cccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000289237514 131367789 /nfs/dbraw/zinc/36/77/89/131367789.db2.gz MOBFTNGTULSZJY-LJQANCHMSA-N 0 3 301.393 4.207 20 30 DIEDHN N#Cc1cccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000289237511 131368168 /nfs/dbraw/zinc/36/81/68/131368168.db2.gz MOBFTNGTULSZJY-IBGZPJMESA-N 0 3 301.393 4.207 20 30 DIEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709089 331469071 /nfs/dbraw/zinc/46/90/71/331469071.db2.gz SMRQUKODKSGVDF-BBRMVZONSA-N 0 3 316.470 4.015 20 30 DIEDHN CC(C)COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000179454344 331524052 /nfs/dbraw/zinc/52/40/52/331524052.db2.gz PQSSVDHRRYUZRX-INIZCTEOSA-N 0 3 308.425 4.444 20 30 DIEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000533446303 331532118 /nfs/dbraw/zinc/53/21/18/331532118.db2.gz PAXGAWUQZRDZFG-JSGCOSHPSA-N 0 3 314.326 4.156 20 30 DIEDHN C=CCSCCN[C@H](C)c1cc(C)c(Br)s1 ZINC000309423152 331672203 /nfs/dbraw/zinc/67/22/03/331672203.db2.gz KAKKOMGWOOOJED-SNVBAGLBSA-N 0 3 320.321 4.389 20 30 DIEDHN COc1cc(CNCc2csc3ccccc23)ccc1C#N ZINC000565508621 331705189 /nfs/dbraw/zinc/70/51/89/331705189.db2.gz ABSPFXKGKGLCNL-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3c(OC)cccc32)cc1 ZINC000556917034 331753637 /nfs/dbraw/zinc/75/36/37/331753637.db2.gz ZWCJGYKUYUSMBL-HXUWFJFHSA-N 0 3 323.436 4.427 20 30 DIEDHN Cn1cc([C@H](NCc2ccccc2C(C)(C)C#N)C(C)(C)C)cn1 ZINC000557586044 331800923 /nfs/dbraw/zinc/80/09/23/331800923.db2.gz YDBHHTHHCPXONE-SFHVURJKSA-N 0 3 324.472 4.098 20 30 DIEDHN C=CCC[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccco1 ZINC000558508976 331914847 /nfs/dbraw/zinc/91/48/47/331914847.db2.gz LBKMKQHSNKNJRU-BJLQDIEVSA-N 0 3 311.425 4.043 20 30 DIEDHN N#CCSCCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000072517966 331930499 /nfs/dbraw/zinc/93/04/99/331930499.db2.gz VKQSEIJMZYZSKY-GOSISDBHSA-N 0 3 314.429 4.152 20 30 DIEDHN N#Cc1ccccc1CSCCNCc1ccccc1Cl ZINC000518271167 332003878 /nfs/dbraw/zinc/00/38/78/332003878.db2.gz IFMHMQAJIGARDF-UHFFFAOYSA-N 0 3 316.857 4.235 20 30 DIEDHN CC(C)(C#N)CCCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000409447343 332031943 /nfs/dbraw/zinc/03/19/43/332031943.db2.gz NEIZCKPYVFLEQL-MRXNPFEDSA-N 0 3 320.502 4.449 20 30 DIEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665345 332092242 /nfs/dbraw/zinc/09/22/42/332092242.db2.gz RFLBZNZDXADWDL-JXFKEZNVSA-N 0 3 307.441 4.448 20 30 DIEDHN CC(C)(CCC#N)CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000092093478 332119205 /nfs/dbraw/zinc/11/92/05/332119205.db2.gz OXTQCIXSJPOHOC-UHFFFAOYSA-N 0 3 322.399 4.138 20 30 DIEDHN Cc1nc(-c2cc3c(s2)CCN(CCCCC#N)C3)cs1 ZINC000093259416 332136470 /nfs/dbraw/zinc/13/64/70/332136470.db2.gz ADVTUWOTNHPSQH-UHFFFAOYSA-N 0 3 317.483 4.232 20 30 DIEDHN CCc1ccc(CNCc2cccc(OCCCC#N)c2)s1 ZINC000236923988 332248187 /nfs/dbraw/zinc/24/81/87/332248187.db2.gz ODYAKYZDXBSHFC-UHFFFAOYSA-N 0 3 314.454 4.283 20 30 DIEDHN C=CCC[C@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518607 332349765 /nfs/dbraw/zinc/34/97/65/332349765.db2.gz HMUNYEKFYWNRLH-ZWKOTPCHSA-N 0 3 316.420 4.319 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521419 332349845 /nfs/dbraw/zinc/34/98/45/332349845.db2.gz OTSIXSOPNYPRPP-CABCVRRESA-N 0 3 304.459 4.241 20 30 DIEDHN FC(F)(F)c1ccc(C#CCNC/C=C/c2ccccc2)cc1 ZINC000237834330 332392161 /nfs/dbraw/zinc/39/21/61/332392161.db2.gz SBGKIEHZIAFHFE-XBXARRHUSA-N 0 3 315.338 4.360 20 30 DIEDHN C=CCSCCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000560902593 332393495 /nfs/dbraw/zinc/39/34/95/332393495.db2.gz XTZPNNVFRDDIRR-NSHDSACASA-N 0 3 305.365 4.155 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000155505964 332449074 /nfs/dbraw/zinc/44/90/74/332449074.db2.gz DJSUNIMKIJKUQM-IBGZPJMESA-N 0 3 309.409 4.255 20 30 DIEDHN N#Cc1ccc(CN(CCc2cccc(F)c2F)C2CC2)cc1 ZINC000518827380 335113088 /nfs/dbraw/zinc/11/30/88/335113088.db2.gz PXBMYKBGLXVLKJ-UHFFFAOYSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000159908574 332639512 /nfs/dbraw/zinc/63/95/12/332639512.db2.gz IJTPTVOSCBXKCA-HXUWFJFHSA-N 0 3 308.425 4.442 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)s1 ZINC000562949092 332650582 /nfs/dbraw/zinc/65/05/82/332650582.db2.gz AZIUHHXGAOWORA-INIZCTEOSA-N 0 3 302.830 4.440 20 30 DIEDHN N#CC1(CN[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471121 332759413 /nfs/dbraw/zinc/75/94/13/332759413.db2.gz JYFBHIZSWUJGQV-DZGCQCFKSA-N 0 3 308.347 4.235 20 30 DIEDHN CC(C)Oc1cccc([C@H](C)NCc2ccc(F)c(C#N)c2)c1 ZINC000179666322 333025873 /nfs/dbraw/zinc/02/58/73/333025873.db2.gz DIPCWTTUTGZKSA-AWEZNQCLSA-N 0 3 312.388 4.335 20 30 DIEDHN CCc1oc2ccccc2c1CNCc1ccc(OCC#N)cc1 ZINC000171769575 333054235 /nfs/dbraw/zinc/05/42/35/333054235.db2.gz IUXHPWHLMBPWMB-UHFFFAOYSA-N 0 3 320.392 4.187 20 30 DIEDHN CC(C)(C#N)CCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000174811349 333090948 /nfs/dbraw/zinc/09/09/48/333090948.db2.gz DQCMDRDIVOWNDE-OAHLLOKOSA-N 0 3 306.475 4.059 20 30 DIEDHN CCCN(CCCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000174837858 333091561 /nfs/dbraw/zinc/09/15/61/333091561.db2.gz GZXPEVABZWFGSB-MRXNPFEDSA-N 0 3 315.461 4.056 20 30 DIEDHN CCCN(CCCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000174837847 333091636 /nfs/dbraw/zinc/09/16/36/333091636.db2.gz GZXPEVABZWFGSB-INIZCTEOSA-N 0 3 315.461 4.056 20 30 DIEDHN COc1ccc([C@H]2CCCN2CCCC(C)(C)C#N)cc1OC ZINC000174863191 333092030 /nfs/dbraw/zinc/09/20/30/333092030.db2.gz IERGFKWSDVSZAY-MRXNPFEDSA-N 0 3 316.445 4.171 20 30 DIEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000462754155 333109013 /nfs/dbraw/zinc/10/90/13/333109013.db2.gz HDRSOYQZUSRWCH-RBUKOAKNSA-N 0 3 315.457 4.079 20 30 DIEDHN CC(C)[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000487389274 333131219 /nfs/dbraw/zinc/13/12/19/333131219.db2.gz GSMLJTGCENCDBC-QGZVFWFLSA-N 0 3 302.487 4.061 20 30 DIEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@@H](C)C2 ZINC000180227219 333159890 /nfs/dbraw/zinc/15/98/90/333159890.db2.gz VOINLLWWPATSRE-CKJXQJPGSA-N 0 3 320.436 4.482 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(OCC#N)cc1 ZINC000180550129 333162992 /nfs/dbraw/zinc/16/29/92/333162992.db2.gz OPPWJWIAIFUXAK-VLIAUNLRSA-N 0 3 324.399 4.141 20 30 DIEDHN CC1(C)C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180551185 333163075 /nfs/dbraw/zinc/16/30/75/333163075.db2.gz XVVANPYINHEHQU-IBGZPJMESA-N 0 3 306.409 4.101 20 30 DIEDHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000180556975 333163142 /nfs/dbraw/zinc/16/31/42/333163142.db2.gz RRFXPNHUARZFEM-KXBFYZLASA-N 0 3 306.409 4.236 20 30 DIEDHN CCc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)s1 ZINC000180556228 333163183 /nfs/dbraw/zinc/16/31/83/333163183.db2.gz XAUPOAFKHNBQDV-ZDUSSCGKSA-N 0 3 300.427 4.064 20 30 DIEDHN C[C@H]1CC[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555804 333163189 /nfs/dbraw/zinc/16/31/89/333163189.db2.gz BGRDLFAPXYRIJP-YWZLYKJASA-N 0 3 306.409 4.317 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@H](CCC#N)c2ccccc2)c1[O-] ZINC000182656381 333179515 /nfs/dbraw/zinc/17/95/15/333179515.db2.gz CHDBMGLXOQQJSH-QGZVFWFLSA-N 0 3 314.816 4.489 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852470 333214961 /nfs/dbraw/zinc/21/49/61/333214961.db2.gz SIEZRGWLGJIYRT-TWOQFEAHSA-N 0 3 305.425 4.482 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882857 333215574 /nfs/dbraw/zinc/21/55/74/333215574.db2.gz FHVTWJMFYALRPX-NVXWUHKLSA-N 0 3 307.397 4.046 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccc(C#N)s1 ZINC000497263126 333228743 /nfs/dbraw/zinc/22/87/43/333228743.db2.gz SADWPCNZZMOJOP-MEDUHNTESA-N 0 3 320.845 4.139 20 30 DIEDHN C=C(C)CN(C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000497260854 333229189 /nfs/dbraw/zinc/22/91/89/333229189.db2.gz KGNBFKSXLQJGQB-UHFFFAOYSA-N 0 3 311.425 4.379 20 30 DIEDHN Cc1ccccc1[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000497475960 333254978 /nfs/dbraw/zinc/25/49/78/333254978.db2.gz YEEJHJCTOGIRLC-IBGZPJMESA-N 0 3 306.409 4.083 20 30 DIEDHN N#CCCC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000563066386 333261076 /nfs/dbraw/zinc/26/10/76/333261076.db2.gz NXKNQIYKLWOKAH-UHFFFAOYSA-N 0 3 313.832 4.404 20 30 DIEDHN CCN(Cc1ccc(Br)cc1C#N)C1CCCC1 ZINC000310865878 333265052 /nfs/dbraw/zinc/26/50/52/333265052.db2.gz DRQFAGJSICGRSL-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN CCN(Cc1cc(C)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497613354 333269289 /nfs/dbraw/zinc/26/92/89/333269289.db2.gz XCOYNOVCCFQWOH-INIZCTEOSA-N 0 3 308.425 4.458 20 30 DIEDHN CCN(CCOc1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497621243 333270773 /nfs/dbraw/zinc/27/07/73/333270773.db2.gz UMFMCLDDUWVBLE-OAHLLOKOSA-N 0 3 312.388 4.159 20 30 DIEDHN CC(C)(C#N)CCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192474926 333289003 /nfs/dbraw/zinc/28/90/03/333289003.db2.gz XCVJKFPNHFLKSZ-UHFFFAOYSA-N 0 3 316.420 4.050 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193001582 333297067 /nfs/dbraw/zinc/29/70/67/333297067.db2.gz OVESALLMLMUCTI-DLTLXFJOSA-N 0 3 306.837 4.088 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)o1 ZINC000093054095 333302560 /nfs/dbraw/zinc/30/25/60/333302560.db2.gz VTJIINHLBZWSSD-UHFFFAOYSA-N 0 3 322.408 4.031 20 30 DIEDHN CC(C#N)C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000531276913 333339870 /nfs/dbraw/zinc/33/98/70/333339870.db2.gz CGBLMKLCAREQHI-ACJLOTCBSA-N 0 3 324.811 4.126 20 30 DIEDHN CC[C@H](C)Oc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000463233943 333350036 /nfs/dbraw/zinc/35/00/36/333350036.db2.gz FXEWFBZXVUKPBF-LZLYRXPVSA-N 0 3 300.446 4.344 20 30 DIEDHN CCCOc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000463280684 333369166 /nfs/dbraw/zinc/36/91/66/333369166.db2.gz ISOZOGKYPKPEQO-ZOBUZTSGSA-N 0 3 316.445 4.217 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000160958061 333369900 /nfs/dbraw/zinc/36/99/00/333369900.db2.gz QFZDTQNYANJXMW-GUYCJALGSA-N 0 3 312.438 4.206 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000160957776 333369954 /nfs/dbraw/zinc/36/99/54/333369954.db2.gz QFZDTQNYANJXMW-SUMWQHHRSA-N 0 3 312.438 4.206 20 30 DIEDHN C=CCN1CCC(N[C@H](CC)c2cccc(Cl)c2F)CC1 ZINC000161674964 333375313 /nfs/dbraw/zinc/37/53/13/333375313.db2.gz XVZJAPGUJRREPC-MRXNPFEDSA-N 0 3 310.844 4.170 20 30 DIEDHN Cc1cc(CNCc2ccc(CC#N)cc2)ccc1C(F)(F)F ZINC000563122390 333393415 /nfs/dbraw/zinc/39/34/15/333393415.db2.gz NETKYKDQYQNFJB-UHFFFAOYSA-N 0 3 318.342 4.370 20 30 DIEDHN C=C(CNCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000338955567 333503244 /nfs/dbraw/zinc/50/32/44/333503244.db2.gz FYDHHYWLRZOGJK-UHFFFAOYSA-N 0 3 306.409 4.172 20 30 DIEDHN Cc1ccc(C2(CNC[C@H](C#N)CCC#N)CCCC2)c(C)c1 ZINC000563616893 333637749 /nfs/dbraw/zinc/63/77/49/333637749.db2.gz CMGPPQSCMRIKRG-SFHVURJKSA-N 0 3 309.457 4.148 20 30 DIEDHN Cc1ccc(C2(CNC[C@@H](C#N)CCC#N)CCCC2)c(C)c1 ZINC000563616892 333637783 /nfs/dbraw/zinc/63/77/83/333637783.db2.gz CMGPPQSCMRIKRG-GOSISDBHSA-N 0 3 309.457 4.148 20 30 DIEDHN COc1cc([C@H](C)N[C@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444568 333673535 /nfs/dbraw/zinc/67/35/35/333673535.db2.gz FCEOIDPDOMYPQI-CABCVRRESA-N 0 3 316.445 4.359 20 30 DIEDHN CC(C)(CO)[C@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411646834 333701255 /nfs/dbraw/zinc/70/12/55/333701255.db2.gz WLIGVJIACJNFDK-GOSISDBHSA-N 0 3 314.473 4.200 20 30 DIEDHN C[C@H](CCC#N)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411717992 333703562 /nfs/dbraw/zinc/70/35/62/333703562.db2.gz JWKVDYBKKJFCLI-ABAIWWIYSA-N 0 3 312.335 4.318 20 30 DIEDHN Cc1ccccc1[C@H](NCc1ccc(OCC#N)cc1)C(C)C ZINC000271669073 334025401 /nfs/dbraw/zinc/02/54/01/334025401.db2.gz IBNFFGQBJXJVGI-HXUWFJFHSA-N 0 3 308.425 4.384 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829740 334027572 /nfs/dbraw/zinc/02/75/72/334027572.db2.gz DRKHJUUXJRVEQO-JXFKEZNVSA-N 0 3 304.393 4.004 20 30 DIEDHN COc1ccc2[nH]cc(C3CCN([C@@H](C)CCC#N)CC3)c2c1 ZINC000276280799 334075649 /nfs/dbraw/zinc/07/56/49/334075649.db2.gz FVQGJQOSRRGVEH-AWEZNQCLSA-N 0 3 311.429 4.048 20 30 DIEDHN CC(C)(C#N)CCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000278181480 334093320 /nfs/dbraw/zinc/09/33/20/334093320.db2.gz QYMJHHQMGGHOML-UHFFFAOYSA-N 0 3 312.457 4.301 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555190 334098130 /nfs/dbraw/zinc/09/81/30/334098130.db2.gz HVLWNQTVTADDNX-ZFWWWQNUSA-N 0 3 311.454 4.168 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946159 334121522 /nfs/dbraw/zinc/12/15/22/334121522.db2.gz JGPLMFGIJFRBHY-VLIAUNLRSA-N 0 3 324.399 4.456 20 30 DIEDHN Cc1cc2cc(CN[C@@H](C)c3ccc(OCC#N)cc3)ccc2[nH]1 ZINC000285584476 334148680 /nfs/dbraw/zinc/14/86/80/334148680.db2.gz HKQWOKPTRXPTJM-HNNXBMFYSA-N 0 3 319.408 4.230 20 30 DIEDHN CC1(C)CN(CCCC2(C#N)CCOCC2)[C@H]1c1cccs1 ZINC000286927149 334155127 /nfs/dbraw/zinc/15/51/27/334155127.db2.gz KWYHSPYZZCGZRK-INIZCTEOSA-N 0 3 318.486 4.232 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000289554527 334166542 /nfs/dbraw/zinc/16/65/42/334166542.db2.gz XKQKTLSHKCXVPW-FQEVSTJZSA-N 0 3 324.424 4.181 20 30 DIEDHN CCN(Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1cccnc1 ZINC000290392322 334172623 /nfs/dbraw/zinc/17/26/23/334172623.db2.gz IYESRKBJYRCYIV-KRWDZBQOSA-N 0 3 322.456 4.015 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3cc(N)ccc32)cc1 ZINC000414920997 334181620 /nfs/dbraw/zinc/18/16/20/334181620.db2.gz ZWVBAXCLFITCGL-HXUWFJFHSA-N 0 3 308.425 4.001 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827701 334193095 /nfs/dbraw/zinc/19/30/95/334193095.db2.gz ONQVFEZDTCPABT-CZUORRHYSA-N 0 3 309.388 4.088 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833580 334202659 /nfs/dbraw/zinc/20/26/59/334202659.db2.gz WOXNQESZJMTREC-OTNPHJDUSA-N 0 3 320.436 4.133 20 30 DIEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445161 334203779 /nfs/dbraw/zinc/20/37/79/334203779.db2.gz LGSCEOTXCHREMV-OXQOHEQNSA-N 0 3 308.425 4.265 20 30 DIEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000295122245 334219100 /nfs/dbraw/zinc/21/91/00/334219100.db2.gz WRMDUNLEQHETMI-KXBFYZLASA-N 0 3 306.409 4.231 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000298360796 334248008 /nfs/dbraw/zinc/24/80/08/334248008.db2.gz FZCHTENOUHBGIF-IAGOWNOFSA-N 0 3 324.472 4.489 20 30 DIEDHN CCCCOc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000299731366 334257732 /nfs/dbraw/zinc/25/77/32/334257732.db2.gz XDEZDNWVJIWPFX-GJZGRUSLSA-N 0 3 304.434 4.217 20 30 DIEDHN C[C@H](NCc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000048818306 334301375 /nfs/dbraw/zinc/30/13/75/334301375.db2.gz FLDCJFAMCBURKF-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN N#Cc1cccc(CCNCc2nc(-c3ccccc3)cs2)c1 ZINC000341491289 334447731 /nfs/dbraw/zinc/44/77/31/334447731.db2.gz SSWHIBZHMWPNDO-UHFFFAOYSA-N 0 3 319.433 4.014 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCOc2ccccc21 ZINC000341694967 334471156 /nfs/dbraw/zinc/47/11/56/334471156.db2.gz AJHCUSJBHJNUQH-UXHICEINSA-N 0 3 318.420 4.439 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2cc(F)ccc21 ZINC000341752724 334476722 /nfs/dbraw/zinc/47/67/22/334476722.db2.gz WSOFBSANSDUDFL-WOJBJXKFSA-N 0 3 306.384 4.352 20 30 DIEDHN COc1cccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759526 334477991 /nfs/dbraw/zinc/47/79/91/334477991.db2.gz GPDCXKGWOCOJSO-VBKZILBWSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CC[C@H](CO)CN[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877108 334488865 /nfs/dbraw/zinc/48/88/65/334488865.db2.gz LFOFWYICVJMAPY-GXSJLCMTSA-N 0 3 320.285 4.207 20 30 DIEDHN Cc1c([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365719 334741531 /nfs/dbraw/zinc/74/15/31/334741531.db2.gz MHPNBPXWQNDXRI-VBKZILBWSA-N 0 3 322.456 4.372 20 30 DIEDHN Cc1cccc2nc(C3CCN([C@H]4CC[C@@H](C#N)C4)CC3)oc21 ZINC000328845741 334759755 /nfs/dbraw/zinc/75/97/55/334759755.db2.gz QHEFGESFQMZQFT-ZBFHGGJFSA-N 0 3 309.413 4.008 20 30 DIEDHN Cc1cc(CN[C@H]2CCC[C@H]2OCc2ccccc2)ccc1C#N ZINC000443987833 338465723 /nfs/dbraw/zinc/46/57/23/338465723.db2.gz LOOFGMRQVSQWLB-LEWJYISDSA-N 0 3 320.436 4.094 20 30 DIEDHN N#CCCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000344320835 335240872 /nfs/dbraw/zinc/24/08/72/335240872.db2.gz CUYMBRFRRKTDBR-UHFFFAOYSA-N 0 3 319.202 4.102 20 30 DIEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000345711439 335345108 /nfs/dbraw/zinc/34/51/08/335345108.db2.gz MCABXZGSDABHRU-CQSZACIVSA-N 0 3 317.502 4.141 20 30 DIEDHN C[C@H](NCc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000346127048 335377004 /nfs/dbraw/zinc/37/70/04/335377004.db2.gz BYGFUNXWRWBTQK-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695802 336179257 /nfs/dbraw/zinc/17/92/57/336179257.db2.gz VAVBJGNHYZAWJL-RDJZCZTQSA-N 0 3 324.428 4.009 20 30 DIEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000352844034 336276028 /nfs/dbraw/zinc/27/60/28/336276028.db2.gz DYJOYPHPEZWBKT-UHFFFAOYSA-N 0 3 322.252 4.009 20 30 DIEDHN CC(C)[C@@H]1C[C@@H](CNCc2nc(C#N)cs2)c2ccccc21 ZINC000352863259 336282820 /nfs/dbraw/zinc/28/28/20/336282820.db2.gz TXRDFJOECOAZAC-GUYCJALGSA-N 0 3 311.454 4.031 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000192977797 336286512 /nfs/dbraw/zinc/28/65/12/336286512.db2.gz UHUGGXIMRCHKSF-OLZOCXBDSA-N 0 3 316.351 4.279 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004405 336286891 /nfs/dbraw/zinc/28/68/91/336286891.db2.gz CDSMZAYXMJIUJK-MGPUTAFESA-N 0 3 306.409 4.391 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000193016778 336287013 /nfs/dbraw/zinc/28/70/13/336287013.db2.gz FQYGPOOXMQHLMM-SGMGOOAPSA-N 0 3 312.335 4.318 20 30 DIEDHN CN(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000301250758 336296685 /nfs/dbraw/zinc/29/66/85/336296685.db2.gz POBWGWZRNRVCJQ-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN CN1CCC[C@@H](CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000301440159 336306930 /nfs/dbraw/zinc/30/69/30/336306930.db2.gz UADIMPCRMVWGID-YJBOKZPZSA-N 0 3 311.454 4.115 20 30 DIEDHN C=CCN1CCC(Nc2ccc3ccc(Cl)c(C)c3n2)CC1 ZINC000301980388 336341121 /nfs/dbraw/zinc/34/11/21/336341121.db2.gz AQUCDFOHRUCYDT-UHFFFAOYSA-N 0 3 315.848 4.259 20 30 DIEDHN COc1cc(CN[C@@H]2CCCCc3ccccc32)ccc1C#N ZINC000353604722 336428040 /nfs/dbraw/zinc/42/80/40/336428040.db2.gz ABGXQOPJFCPNBJ-LJQANCHMSA-N 0 3 306.409 4.124 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccc(Cl)c1 ZINC000353611429 336428696 /nfs/dbraw/zinc/42/86/96/336428696.db2.gz PILWBRHIALZUQE-QGZVFWFLSA-N 0 3 314.816 4.461 20 30 DIEDHN COc1cc(CN[C@@H]2CC[C@H](C)c3ccccc32)ccc1C#N ZINC000353626854 336429887 /nfs/dbraw/zinc/42/98/87/336429887.db2.gz UYDVDRDNPDQMMZ-IFXJQAMLSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1cc(CN[C@H]2CCCc3c(C)ccc(C)c32)ccc1C#N ZINC000353628598 336430198 /nfs/dbraw/zinc/43/01/98/336430198.db2.gz XLOZVLYESPCLGA-IBGZPJMESA-N 0 3 320.436 4.351 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000353916282 336447958 /nfs/dbraw/zinc/44/79/58/336447958.db2.gz PVEAZWRQICLIAU-GOSISDBHSA-N 0 3 304.397 4.088 20 30 DIEDHN C=CCCOCCN[C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000358367185 336626740 /nfs/dbraw/zinc/62/67/40/336626740.db2.gz KMPDEKZBKHWIKW-GOSISDBHSA-N 0 3 303.446 4.206 20 30 DIEDHN C=CCC[C@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000583681949 336698685 /nfs/dbraw/zinc/69/86/85/336698685.db2.gz FPMTVSSVYRPLTB-IBGZPJMESA-N 0 3 321.424 4.119 20 30 DIEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000360873539 336725070 /nfs/dbraw/zinc/72/50/70/336725070.db2.gz QSTCQCOVJICLLO-ORAYPTAESA-N 0 3 309.388 4.211 20 30 DIEDHN CC(C)(CCC#N)CN1CCC(c2c(F)cccc2F)CC1 ZINC000362511646 336801290 /nfs/dbraw/zinc/80/12/90/336801290.db2.gz ODOLRYUPVJEWQT-UHFFFAOYSA-N 0 3 306.400 4.474 20 30 DIEDHN Cc1ccc(C(=O)C2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000370002839 336875551 /nfs/dbraw/zinc/87/55/51/336875551.db2.gz TXPDWIGNSQIOKR-UHFFFAOYSA-N 0 3 312.457 4.220 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1scnc1C1CC1 ZINC000418143867 336896623 /nfs/dbraw/zinc/89/66/23/336896623.db2.gz JHRZOWYWFYTAPU-INIZCTEOSA-N 0 3 309.438 4.059 20 30 DIEDHN C=CCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418150084 336898072 /nfs/dbraw/zinc/89/80/72/336898072.db2.gz VWKRGQKWEOJGEA-OAQYLSRUSA-N 0 3 318.420 4.290 20 30 DIEDHN CCOc1ccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)cc1 ZINC000582748267 337133046 /nfs/dbraw/zinc/13/30/46/337133046.db2.gz DYLIMYWYABJESG-OAQYLSRUSA-N 0 3 320.436 4.488 20 30 DIEDHN Cc1cccc(OC[C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508626 337146931 /nfs/dbraw/zinc/14/69/31/337146931.db2.gz VVUWRUSAYLZHEV-LSDHHAIUSA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](NCCOc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000538508519 337148489 /nfs/dbraw/zinc/14/84/89/337148489.db2.gz QOHXKFNXMZJDKP-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN Cc1c2ccccc2oc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000583745769 337328429 /nfs/dbraw/zinc/32/84/29/337328429.db2.gz ORDQFDCYYRNCFS-GOSISDBHSA-N 0 3 302.377 4.390 20 30 DIEDHN COc1cc(CN[C@H](C)c2cc(C)c(F)c(C)c2)ccc1C#N ZINC000583782484 337332675 /nfs/dbraw/zinc/33/26/75/337332675.db2.gz NHPVDTPANIXOHX-CQSZACIVSA-N 0 3 312.388 4.174 20 30 DIEDHN N#Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000584611926 337372290 /nfs/dbraw/zinc/37/22/90/337372290.db2.gz UFJVGDBKIINSGQ-UHFFFAOYSA-N 0 3 306.409 4.090 20 30 DIEDHN CC(C)c1ccc(O[C@H](C)CNCc2ccc(C#N)s2)cc1 ZINC000564101637 337453701 /nfs/dbraw/zinc/45/37/01/337453701.db2.gz ARAQSUPMBLWSHR-CQSZACIVSA-N 0 3 314.454 4.300 20 30 DIEDHN CC[C@@H](CC#N)NCCCCOc1ccccc1C(F)(F)F ZINC000571936693 337582418 /nfs/dbraw/zinc/58/24/18/337582418.db2.gz FMVWTAQHPAZSBI-ZDUSSCGKSA-N 0 3 314.351 4.146 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453133 337644230 /nfs/dbraw/zinc/64/42/30/337644230.db2.gz GKEHJCOMHOHMLB-LPHOPBHVSA-N 0 3 323.436 4.427 20 30 DIEDHN C[C@@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000536863345 337747077 /nfs/dbraw/zinc/74/70/77/337747077.db2.gz LPIFWNZCOYWYRP-ODIFPOPNSA-N 0 3 310.397 4.192 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(OC(F)F)c2)cc1 ZINC000105477916 337808398 /nfs/dbraw/zinc/80/83/98/337808398.db2.gz GIMXYCXODVBSPD-UHFFFAOYSA-N 0 3 319.351 4.143 20 30 DIEDHN C=CC[C@@H]1N(C(=O)Nc2cc(C)cc(CN)c2)CCCC1(C)C ZINC000424425579 337832544 /nfs/dbraw/zinc/83/25/44/337832544.db2.gz JZBFSNYYPDVKKH-KRWDZBQOSA-N 0 3 315.461 4.052 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCC#Cc2ccc(F)cc2)cc1 ZINC000537061301 337885441 /nfs/dbraw/zinc/88/54/41/337885441.db2.gz IZRPHMMENORSKE-INIZCTEOSA-N 0 3 311.400 4.315 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000121324756 337891788 /nfs/dbraw/zinc/89/17/88/337891788.db2.gz IGEZYTSBEKYPOM-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN Cc1ccc(SCCN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537410524 337933973 /nfs/dbraw/zinc/93/39/73/337933973.db2.gz JNXPJRKPNPMVKE-AWEZNQCLSA-N 0 3 314.429 4.449 20 30 DIEDHN C=CCOc1ccc(CN2CCC(OCCCC)CC2)cc1 ZINC000537620840 337948132 /nfs/dbraw/zinc/94/81/32/337948132.db2.gz XWTMHWHFYUEVQE-UHFFFAOYSA-N 0 3 303.446 4.033 20 30 DIEDHN C=CCOCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000516163041 338006908 /nfs/dbraw/zinc/00/69/08/338006908.db2.gz RCGSGICSCGHEQX-LJQANCHMSA-N 0 3 317.379 4.041 20 30 DIEDHN C=CCC[C@H](NCCc1nnc(C(C)C)s1)c1ccco1 ZINC000426304072 338025793 /nfs/dbraw/zinc/02/57/93/338025793.db2.gz BDMJXFTXQSJPCI-ZDUSSCGKSA-N 0 3 305.447 4.094 20 30 DIEDHN CCN(CC#Cc1ccc(F)cc1)[C@@H](C)Cc1ccsc1 ZINC000426459508 338032926 /nfs/dbraw/zinc/03/29/26/338032926.db2.gz KTTSKCYGAJMHQY-HNNXBMFYSA-N 0 3 301.430 4.192 20 30 DIEDHN CC(C)O[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000428318098 338046897 /nfs/dbraw/zinc/04/68/97/338046897.db2.gz ZTWVDJMWNGTWPA-JXFKEZNVSA-N 0 3 308.425 4.375 20 30 DIEDHN N#Cc1cc(Br)ccc1CN(C1CCC1)C1CCC1 ZINC000429155977 338072072 /nfs/dbraw/zinc/07/20/72/338072072.db2.gz PLDHONLNOMDXJD-UHFFFAOYSA-N 0 3 319.246 4.228 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429573617 338084657 /nfs/dbraw/zinc/08/46/57/338084657.db2.gz BIOYDHCLMWVNNB-HUUCEWRRSA-N 0 3 318.486 4.024 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429573615 338084716 /nfs/dbraw/zinc/08/47/16/338084716.db2.gz BIOYDHCLMWVNNB-CABCVRRESA-N 0 3 318.486 4.024 20 30 DIEDHN N#CCC1(CNCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000430016827 338093606 /nfs/dbraw/zinc/09/36/06/338093606.db2.gz BFJPWBUVRLWJIW-UHFFFAOYSA-N 0 3 302.727 4.142 20 30 DIEDHN COc1ccc(-c2ccccc2)cc1CNCC1(CC#N)CC1 ZINC000430063090 338094761 /nfs/dbraw/zinc/09/47/61/338094761.db2.gz UZKLNDNKPUARFC-UHFFFAOYSA-N 0 3 306.409 4.146 20 30 DIEDHN N#CCC1(CN[C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000430738045 338112751 /nfs/dbraw/zinc/11/27/51/338112751.db2.gz YBHMLZWKNULBMW-HNNXBMFYSA-N 0 3 319.246 4.184 20 30 DIEDHN N#CCC1(CN[C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000430742613 338113028 /nfs/dbraw/zinc/11/30/28/338113028.db2.gz PJNRQVAJLDPENO-OAHLLOKOSA-N 0 3 319.246 4.110 20 30 DIEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(SCC(F)F)cc1 ZINC000430749803 338113465 /nfs/dbraw/zinc/11/34/65/338113465.db2.gz LMGRNQNJOCQBKT-LBPRGKRZSA-N 0 3 310.413 4.388 20 30 DIEDHN C=C(C)CN1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000432241340 338149994 /nfs/dbraw/zinc/14/99/94/338149994.db2.gz ORBPNPDAEMVINY-UHFFFAOYSA-N 0 3 319.301 4.185 20 30 DIEDHN N#CCCC[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000433024055 338176891 /nfs/dbraw/zinc/17/68/91/338176891.db2.gz BGGQZHPSFZZFRA-IBGZPJMESA-N 0 3 307.372 4.222 20 30 DIEDHN Cc1c(CN[C@@H](CCCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000433025455 338177114 /nfs/dbraw/zinc/17/71/14/338177114.db2.gz KWWWLMHVLCVTGM-SFHVURJKSA-N 0 3 323.396 4.428 20 30 DIEDHN N#CCCC[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000433028952 338177181 /nfs/dbraw/zinc/17/71/81/338177181.db2.gz QOWHWMMDXLNFJF-HXUWFJFHSA-N 0 3 306.384 4.202 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000433122026 338182353 /nfs/dbraw/zinc/18/23/53/338182353.db2.gz UOHSRPNFDWPGLP-IRXDYDNUSA-N 0 3 324.449 4.184 20 30 DIEDHN C[C@H](c1cccs1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433296985 338189946 /nfs/dbraw/zinc/18/99/46/338189946.db2.gz JZKXDLBTCPAADZ-ZBFHGGJFSA-N 0 3 312.438 4.040 20 30 DIEDHN C[C@H](c1ccco1)N(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433302497 338190428 /nfs/dbraw/zinc/19/04/28/338190428.db2.gz IPPBNWAUAPMYLS-WBVHZDCISA-N 0 3 322.408 4.104 20 30 DIEDHN Cc1cccc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)c1C ZINC000433348594 338193531 /nfs/dbraw/zinc/19/35/31/338193531.db2.gz APRKYZSGVDWHFX-PKOBYXMFSA-N 0 3 320.436 4.253 20 30 DIEDHN CCC[C@@]1(C)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375802 338194236 /nfs/dbraw/zinc/19/42/36/338194236.db2.gz QQQSNHIZIATVQM-ICSRJNTNSA-N 0 3 312.457 4.188 20 30 DIEDHN C=CCC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000435286577 338236387 /nfs/dbraw/zinc/23/63/87/338236387.db2.gz DLAUSEFLVFROAL-HXUWFJFHSA-N 0 3 322.452 4.186 20 30 DIEDHN C=CCC[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccccc1 ZINC000435286576 338236485 /nfs/dbraw/zinc/23/64/85/338236485.db2.gz DLAUSEFLVFROAL-FQEVSTJZSA-N 0 3 322.452 4.186 20 30 DIEDHN C=CCC[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC000435725325 338246219 /nfs/dbraw/zinc/24/62/19/338246219.db2.gz XDBGCGMPPVFZGI-HXUWFJFHSA-N 0 3 322.452 4.186 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000435734130 338246827 /nfs/dbraw/zinc/24/68/27/338246827.db2.gz YBVZLJYZVJDJBQ-JCNLHEQBSA-N 0 3 314.791 4.387 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000435733950 338246838 /nfs/dbraw/zinc/24/68/38/338246838.db2.gz VUGMCPQSBOWYEQ-KXBFYZLASA-N 0 3 313.397 4.143 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1Cl ZINC000435739331 338247281 /nfs/dbraw/zinc/24/72/81/338247281.db2.gz WYTMPCGGYOIAAK-IAQYHMDHSA-N 0 3 300.229 4.064 20 30 DIEDHN N#Cc1csc(CN[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000435782369 338248950 /nfs/dbraw/zinc/24/89/50/338248950.db2.gz OGAGVCQEYLRMRR-CTYIDZIISA-N 0 3 302.830 4.309 20 30 DIEDHN C=CCOc1cccc(CNCc2ccccc2N(C)C(C)C)c1 ZINC000438344044 338340548 /nfs/dbraw/zinc/34/05/48/338340548.db2.gz FJGQHACUKIVIBR-UHFFFAOYSA-N 0 3 324.468 4.386 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542954 338389746 /nfs/dbraw/zinc/38/97/46/338389746.db2.gz IRKVOLYVVFBMGY-DOSUHQCWSA-N 0 3 324.468 4.289 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)ccc1C#N ZINC000440617455 338392648 /nfs/dbraw/zinc/39/26/48/338392648.db2.gz LEHMQKXITZQSPF-HNNXBMFYSA-N 0 3 320.436 4.296 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)ccc1C#N ZINC000440623517 338392854 /nfs/dbraw/zinc/39/28/54/338392854.db2.gz LEHMQKXITZQSPF-OAHLLOKOSA-N 0 3 320.436 4.296 20 30 DIEDHN COc1cc(CN[C@H]2c3ccccc3CCC[C@H]2C)ccc1C#N ZINC000440633440 338393382 /nfs/dbraw/zinc/39/33/82/338393382.db2.gz DZAFEVKIDWSWIT-QVKFZJNVSA-N 0 3 320.436 4.370 20 30 DIEDHN COc1cc(CNC2(c3ccccc3)CCCC2)ccc1C#N ZINC000440830387 338398389 /nfs/dbraw/zinc/39/83/89/338398389.db2.gz XYHBVDIXSVBDMD-UHFFFAOYSA-N 0 3 306.409 4.126 20 30 DIEDHN N#CC1CCC(CNCc2csc(-c3ccccc3)n2)CC1 ZINC000441326140 338408465 /nfs/dbraw/zinc/40/84/65/338408465.db2.gz DQNADYXMNPKZNA-UHFFFAOYSA-N 0 3 311.454 4.230 20 30 DIEDHN C[C@H](NCC1CCC(C#N)CC1)c1ccccc1Br ZINC000442101187 338421335 /nfs/dbraw/zinc/42/13/35/338421335.db2.gz SYDIEVNIAJIMKV-HSBZDZAISA-N 0 3 321.262 4.430 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2COCc2ccccc2)C1 ZINC000442717252 338428800 /nfs/dbraw/zinc/42/88/00/338428800.db2.gz NLISBXZKIDQKGB-GHTZIAJQSA-N 0 3 320.436 4.185 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000442721302 338429026 /nfs/dbraw/zinc/42/90/26/338429026.db2.gz SWCSPPRVCOKZPS-WIYYLYMNSA-N 0 3 320.436 4.185 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790756 338431566 /nfs/dbraw/zinc/43/15/66/338431566.db2.gz HNCALPRWOKIYRC-MBOZVWFJSA-N 0 3 308.400 4.391 20 30 DIEDHN COc1cccc(-c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2)c1 ZINC000442794343 338431849 /nfs/dbraw/zinc/43/18/49/338431849.db2.gz QBOOKPKUVQIXSV-APWZRJJASA-N 0 3 306.409 4.144 20 30 DIEDHN N#Cc1ccccc1-c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442844174 338434288 /nfs/dbraw/zinc/43/42/88/338434288.db2.gz FORXYQNCUUGABY-APWZRJJASA-N 0 3 301.393 4.007 20 30 DIEDHN N#C[C@H]1CC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873019 338436967 /nfs/dbraw/zinc/43/69/67/338436967.db2.gz OKYMXMMGVDMVDY-SWLSCSKDSA-N 0 3 308.347 4.366 20 30 DIEDHN CC[C@@H](NCCOC1CCCCCC1)c1ccc(C#N)cc1 ZINC000447544535 338555948 /nfs/dbraw/zinc/55/59/48/338555948.db2.gz VWSBXHLTKWOBFD-LJQANCHMSA-N 0 3 300.446 4.338 20 30 DIEDHN C=C(C)CN1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000449123972 338595185 /nfs/dbraw/zinc/59/51/85/338595185.db2.gz OUKFWSBDKQDKHE-UHFFFAOYSA-N 0 3 319.301 4.185 20 30 DIEDHN COc1cc(F)cc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000449338720 338614823 /nfs/dbraw/zinc/61/48/23/338614823.db2.gz HNFDGFKYAXBMCA-LJQANCHMSA-N 0 3 312.388 4.359 20 30 DIEDHN C=C(CC)CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000449731537 338648374 /nfs/dbraw/zinc/64/83/74/338648374.db2.gz IXWXUUHYIIISOR-UHFFFAOYSA-N 0 3 324.424 4.003 20 30 DIEDHN N#Cc1csc(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449770428 338651460 /nfs/dbraw/zinc/65/14/60/338651460.db2.gz ITWBAXUROVZOAN-OCCSQVGLSA-N 0 3 317.845 4.094 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453242988 338813164 /nfs/dbraw/zinc/81/31/64/338813164.db2.gz BZORIAUINHTSCD-TZMCWYRMSA-N 0 3 324.346 4.246 20 30 DIEDHN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340047 338827495 /nfs/dbraw/zinc/82/74/95/338827495.db2.gz BPYKXLKVWOOANK-IFXJQAMLSA-N 0 3 323.415 4.319 20 30 DIEDHN C[C@H](NC1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000453370719 338833376 /nfs/dbraw/zinc/83/33/76/338833376.db2.gz VVPHLTHPVFCDIB-ZDUSSCGKSA-N 0 3 312.363 4.262 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000453386704 338836199 /nfs/dbraw/zinc/83/61/99/338836199.db2.gz OYBHCOFRGDSXHR-LJQANCHMSA-N 0 3 324.399 4.218 20 30 DIEDHN C[C@@H](CCCc1cccnc1)NCC#Cc1ccccc1Cl ZINC000459645104 339040069 /nfs/dbraw/zinc/04/00/69/339040069.db2.gz YHMSUPLIQGRJND-INIZCTEOSA-N 0 3 312.844 4.088 20 30 DIEDHN CC(C)(CC#N)CNCc1cnc(-c2c(F)cccc2F)s1 ZINC000459725484 339043046 /nfs/dbraw/zinc/04/30/46/339043046.db2.gz COXHYKFVVLIADG-UHFFFAOYSA-N 0 3 321.396 4.118 20 30 DIEDHN CCCOc1c(Cl)cc(CNCC(C)(C)CC#N)cc1OC ZINC000459690820 339043216 /nfs/dbraw/zinc/04/32/16/339043216.db2.gz JZOKCGYWCZTNNV-UHFFFAOYSA-N 0 3 324.852 4.167 20 30 DIEDHN CC(C)(CC#N)CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000459703547 339043598 /nfs/dbraw/zinc/04/35/98/339043598.db2.gz WOACUAGCQYRFAD-UHFFFAOYSA-N 0 3 304.743 4.388 20 30 DIEDHN CC#CCCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000462332309 339076015 /nfs/dbraw/zinc/07/60/15/339076015.db2.gz GBSGDTYHBPCDOQ-QGZVFWFLSA-N 0 3 309.457 4.210 20 30 DIEDHN Cc1ccc([C@@H](CNc2c(Cl)cccc2C#N)N(C)C)cc1 ZINC000462375275 339077368 /nfs/dbraw/zinc/07/73/68/339077368.db2.gz KSGFVXYNPUTSEZ-QGZVFWFLSA-N 0 3 313.832 4.235 20 30 DIEDHN C=CCOc1ccccc1CNC[C@@H](C)c1ccc(F)cc1F ZINC000462756032 339087185 /nfs/dbraw/zinc/08/71/85/339087185.db2.gz XSPDDYDSMXXNBK-CQSZACIVSA-N 0 3 317.379 4.423 20 30 DIEDHN C[C@H](CNc1c(Cl)cccc1C#N)N(C)Cc1ccccc1 ZINC000462838211 339093635 /nfs/dbraw/zinc/09/36/35/339093635.db2.gz JIHUUHQFZVHYFS-CQSZACIVSA-N 0 3 313.832 4.144 20 30 DIEDHN CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000463225891 339110541 /nfs/dbraw/zinc/11/05/41/339110541.db2.gz ROVSSNVXJLJVPX-HXUWFJFHSA-N 0 3 320.436 4.225 20 30 DIEDHN COc1ccccc1[C@H](CC(C)C)N[C@H]1CCC[C@H](C#N)C1 ZINC000463239618 339111215 /nfs/dbraw/zinc/11/12/15/339111215.db2.gz YGQLRRVNTDQMHW-BQFCYCMXSA-N 0 3 300.446 4.454 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000463288304 339113584 /nfs/dbraw/zinc/11/35/84/339113584.db2.gz BSQVBOCHUKGHDQ-XLIONFOSSA-N 0 3 320.436 4.438 20 30 DIEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463446896 339118228 /nfs/dbraw/zinc/11/82/28/339118228.db2.gz UIJJOZFHWGLXJY-HIFRSBDPSA-N 0 3 314.326 4.250 20 30 DIEDHN CCCN(CCc1cccs1)Cc1cccc(C#N)c1F ZINC000464593724 339146720 /nfs/dbraw/zinc/14/67/20/339146720.db2.gz NPPLEIOSOVUYLF-UHFFFAOYSA-N 0 3 302.418 4.214 20 30 DIEDHN N#CCSCCCN(Cc1c(F)cccc1F)C1CCCC1 ZINC000466729179 339214599 /nfs/dbraw/zinc/21/45/99/339214599.db2.gz RZQMCVFJJJBYHO-UHFFFAOYSA-N 0 3 324.440 4.356 20 30 DIEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000467459217 339239842 /nfs/dbraw/zinc/23/98/42/339239842.db2.gz RSBRNZFZFOFGFN-ZDUSSCGKSA-N 0 3 316.351 4.053 20 30 DIEDHN C=C[C@@](C)(CC)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000467517132 339240812 /nfs/dbraw/zinc/24/08/12/339240812.db2.gz CVSCLYFULFCXFH-IBGZPJMESA-N 0 3 300.446 4.213 20 30 DIEDHN C=CCC(CC=C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000467814646 339246995 /nfs/dbraw/zinc/24/69/95/339246995.db2.gz YTJAPQSIXDRCRN-UHFFFAOYSA-N 0 3 312.457 4.379 20 30 DIEDHN C/C=C\COc1ccc(CC[C@H](C)N[C@@H](CC)CC#N)cc1 ZINC000468475660 339263751 /nfs/dbraw/zinc/26/37/51/339263751.db2.gz OAXJTIDKYMUDNG-ZQUVTCLKSA-N 0 3 300.446 4.244 20 30 DIEDHN CC(C#N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000468761345 339270110 /nfs/dbraw/zinc/27/01/10/339270110.db2.gz AIQOALDACZGSRR-GFCCVEGCSA-N 0 3 324.346 4.136 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469458714 339290193 /nfs/dbraw/zinc/29/01/93/339290193.db2.gz JKBIQCMXFPOYMH-CZUORRHYSA-N 0 3 312.363 4.387 20 30 DIEDHN CC(C#N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000469586996 339293724 /nfs/dbraw/zinc/29/37/24/339293724.db2.gz MZLZJDYHPJUCIV-GFCCVEGCSA-N 0 3 324.346 4.141 20 30 DIEDHN COCCCC[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000471003480 339334305 /nfs/dbraw/zinc/33/43/05/339334305.db2.gz DYDKLKPSCVTOQH-OAQYLSRUSA-N 0 3 307.437 4.186 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000472143015 339364165 /nfs/dbraw/zinc/36/41/65/339364165.db2.gz WAXUSWNZZNUSMA-PKOBYXMFSA-N 0 3 306.409 4.047 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152529 339364589 /nfs/dbraw/zinc/36/45/89/339364589.db2.gz HDVVPJOVHLDETA-APWZRJJASA-N 0 3 324.399 4.187 20 30 DIEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761496 339377009 /nfs/dbraw/zinc/37/70/09/339377009.db2.gz FMAOMFNOAVWMIF-YPMHNXCESA-N 0 3 302.245 4.313 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565716 339455659 /nfs/dbraw/zinc/45/56/59/339455659.db2.gz MFRSXYZBBPHOEY-YJBOKZPZSA-N 0 3 312.363 4.262 20 30 DIEDHN C=C(C)[C@H](N[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423415 339534322 /nfs/dbraw/zinc/53/43/22/339534322.db2.gz PJKFYQCIHCAXRR-JLSDUUJJSA-N 0 3 309.400 4.375 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C#N)cc1 ZINC000481383711 339602837 /nfs/dbraw/zinc/60/28/37/339602837.db2.gz SBOPYCYMTSEVDD-FZKQIMNGSA-N 0 3 314.816 4.077 20 30 DIEDHN COc1cc(C)cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481665209 339609164 /nfs/dbraw/zinc/60/91/64/339609164.db2.gz XRJGRPVYHZDJMK-OAQYLSRUSA-N 0 3 320.436 4.433 20 30 DIEDHN COc1cc(C)ccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481666370 339609229 /nfs/dbraw/zinc/60/92/29/339609229.db2.gz GVWMJKMTMQJOTP-FQEVSTJZSA-N 0 3 320.436 4.433 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000481808356 339614406 /nfs/dbraw/zinc/61/44/06/339614406.db2.gz AFPVLWFGUBVPNP-ZBFHGGJFSA-N 0 3 312.363 4.262 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCC#Cc1ccccc1 ZINC000484099802 339680877 /nfs/dbraw/zinc/68/08/77/339680877.db2.gz ZYGAOZPJISGMJZ-KXBFYZLASA-N 0 3 313.828 4.057 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000485835452 339714063 /nfs/dbraw/zinc/71/40/63/339714063.db2.gz QFFYLMVSUGSQLW-CYBMUJFWSA-N 0 3 307.422 4.213 20 30 DIEDHN C=CCCCCCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000489007153 339799783 /nfs/dbraw/zinc/79/97/83/339799783.db2.gz GESVXCLMCUHMNW-UHFFFAOYSA-N 0 3 321.436 4.176 20 30 DIEDHN CCCC[C@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818315 339909595 /nfs/dbraw/zinc/90/95/95/339909595.db2.gz NLSHZZGLGUNTGM-RDJZCZTQSA-N 0 3 324.428 4.057 20 30 DIEDHN COc1cccc(C2(F)CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000500139023 340051125 /nfs/dbraw/zinc/05/11/25/340051125.db2.gz MLNREGWHOFAKLM-UHFFFAOYSA-N 0 3 324.399 4.028 20 30 DIEDHN CCCN(CCc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000500239786 340053802 /nfs/dbraw/zinc/05/38/02/340053802.db2.gz YUHIOOBPLXRGHV-UHFFFAOYSA-N 0 3 314.379 4.291 20 30 DIEDHN CC(C)(C#N)CCCCN1CCCN(c2ccccc2F)CC1 ZINC000513374630 340064882 /nfs/dbraw/zinc/06/48/82/340064882.db2.gz ASHQYJAVYQJZGU-UHFFFAOYSA-N 0 3 317.452 4.058 20 30 DIEDHN N#Cc1cccc(C2(NCCSC3CCCCC3)CC2)c1 ZINC000501010300 340072312 /nfs/dbraw/zinc/07/23/12/340072312.db2.gz JEKVMOTXAMJIBS-UHFFFAOYSA-N 0 3 300.471 4.203 20 30 DIEDHN N#Cc1ccc(C2=CCN(c3ccnc4ccccc43)CC2)cc1 ZINC000502801920 340113879 /nfs/dbraw/zinc/11/38/79/340113879.db2.gz FXYNQYXPNTWEOX-UHFFFAOYSA-N 0 3 311.388 4.400 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](COc2ccccc2)C1 ZINC000505867379 340180104 /nfs/dbraw/zinc/18/01/04/340180104.db2.gz BQXMETKNDGIOTO-SJLPKXTDSA-N 0 3 306.409 4.020 20 30 DIEDHN CC(C)(C)c1cccc(OCCNCc2ccc(C#N)cc2)c1 ZINC000506284488 340191194 /nfs/dbraw/zinc/19/11/94/340191194.db2.gz KIFWLDNPRYOKTO-UHFFFAOYSA-N 0 3 308.425 4.024 20 30 DIEDHN Cc1cc(C)cc(OCCCN(C)Cc2cccc(C#N)c2)c1 ZINC000506377335 340193606 /nfs/dbraw/zinc/19/36/06/340193606.db2.gz LNBKRDSXYOPIAX-UHFFFAOYSA-N 0 3 308.425 4.076 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cc(C#N)cs1 ZINC000507140561 340209318 /nfs/dbraw/zinc/20/93/18/340209318.db2.gz FPVBNCSGKGADLK-GOSISDBHSA-N 0 3 312.438 4.138 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000507724591 340229684 /nfs/dbraw/zinc/22/96/84/340229684.db2.gz KBMPPRIBKIIPMD-UHFFFAOYSA-N 0 3 323.396 4.125 20 30 DIEDHN C=C(C)CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000507949455 340236397 /nfs/dbraw/zinc/23/63/97/340236397.db2.gz HNJJEKZNPARUSU-CQSZACIVSA-N 0 3 317.820 4.146 20 30 DIEDHN CCN(Cc1ccc(OC)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508604384 340247674 /nfs/dbraw/zinc/24/76/74/340247674.db2.gz MFQRPSZPSJXZIF-INIZCTEOSA-N 0 3 308.425 4.458 20 30 DIEDHN C=CCN(CC)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509071733 340260428 /nfs/dbraw/zinc/26/04/28/340260428.db2.gz QQMROGHENAXXKK-CYBMUJFWSA-N 0 3 312.276 4.494 20 30 DIEDHN CN(CCc1cccc2ccccc21)Cc1ccccc1C#N ZINC000303090429 340301764 /nfs/dbraw/zinc/30/17/64/340301764.db2.gz CYPBMSYVEITVCX-UHFFFAOYSA-N 0 3 300.405 4.386 20 30 DIEDHN COc1c(C)cc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000303680841 340342454 /nfs/dbraw/zinc/34/24/54/340342454.db2.gz IZSVVXCIZHHTKI-MRXNPFEDSA-N 0 3 308.425 4.377 20 30 DIEDHN CCC(C)(C)c1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511939506 340343373 /nfs/dbraw/zinc/34/33/73/340343373.db2.gz DBXCEXFXKFDHHV-KRWDZBQOSA-N 0 3 321.424 4.271 20 30 DIEDHN N#Cc1cccc(C2(NC/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000512036637 340346184 /nfs/dbraw/zinc/34/61/84/340346184.db2.gz AKGOLVLESRDCAE-DUXPYHPUSA-N 0 3 310.347 4.129 20 30 DIEDHN C=C(C)CNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000512389029 340360036 /nfs/dbraw/zinc/36/00/36/340360036.db2.gz DLCWKLMQALTBRB-UHFFFAOYSA-N 0 3 308.141 4.134 20 30 DIEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccc(C#N)c1F ZINC000512434198 340361645 /nfs/dbraw/zinc/36/16/45/340361645.db2.gz VDPBGIRJQWOAMB-DYVFJYSZSA-N 0 3 312.363 4.214 20 30 DIEDHN C=C(C)CN(CCCc1cccc(C)c1)Cc1ccc(CO)o1 ZINC000512487579 340363737 /nfs/dbraw/zinc/36/37/37/340363737.db2.gz WOTJAMGNXJBXLB-UHFFFAOYSA-N 0 3 313.441 4.091 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OCC=C)cc2)cc1 ZINC000512516228 340365157 /nfs/dbraw/zinc/36/51/57/340365157.db2.gz CMHPLYRUOGQLIY-UHFFFAOYSA-N 0 3 309.409 4.106 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(OCC=C)c2)cc1 ZINC000512530761 340365748 /nfs/dbraw/zinc/36/57/48/340365748.db2.gz ATWZWIAVVHNFLJ-UHFFFAOYSA-N 0 3 309.409 4.106 20 30 DIEDHN C=CCOc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000512536615 340365954 /nfs/dbraw/zinc/36/59/54/340365954.db2.gz JSAUSXLTFZKGAJ-UHFFFAOYSA-N 0 3 305.780 4.334 20 30 DIEDHN CCO[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611801 340368889 /nfs/dbraw/zinc/36/88/89/340368889.db2.gz MNRDWWPPRMROSO-IFXJQAMLSA-N 0 3 318.436 4.333 20 30 DIEDHN C[C@@H](NCCc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512615561 340369136 /nfs/dbraw/zinc/36/91/36/340369136.db2.gz ZKOVFEYWKRUBQC-GFCCVEGCSA-N 0 3 302.780 4.244 20 30 DIEDHN C[C@H](NCCCc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512624909 340369688 /nfs/dbraw/zinc/36/96/88/340369688.db2.gz KWWLNIJDRCZOIG-ZDUSSCGKSA-N 0 3 300.352 4.120 20 30 DIEDHN Cc1cccc2c(CCN[C@H](C)c3ccc(C#N)cc3F)c[nH]c21 ZINC000512625900 340369715 /nfs/dbraw/zinc/36/97/15/340369715.db2.gz QVYYAZVXNHDQJS-CQSZACIVSA-N 0 3 321.399 4.380 20 30 DIEDHN C[C@@H](CCc1ccc(O)cc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512633598 340370220 /nfs/dbraw/zinc/37/02/20/340370220.db2.gz AAWAUZDHRAFAQV-KBPBESRZSA-N 0 3 312.388 4.075 20 30 DIEDHN C[C@H](NCCOc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512636682 340370262 /nfs/dbraw/zinc/37/02/62/340370262.db2.gz NFLDMWFZPLIORN-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN C[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641267 340370517 /nfs/dbraw/zinc/37/05/17/340370517.db2.gz FPYVKFUFWPFSQB-NWDGAFQWSA-N 0 3 318.342 4.430 20 30 DIEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642071 340370556 /nfs/dbraw/zinc/37/05/56/340370556.db2.gz MGTKCMUFRDRLOT-MORSLUCNSA-N 0 3 316.420 4.086 20 30 DIEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000512641556 340370703 /nfs/dbraw/zinc/37/07/03/340370703.db2.gz IFODSEYQAWUUQB-OLZOCXBDSA-N 0 3 302.418 4.288 20 30 DIEDHN CCOCCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000512648656 340370960 /nfs/dbraw/zinc/37/09/60/340370960.db2.gz ODQFPUAYDHWWIM-OAHLLOKOSA-N 0 3 318.436 4.335 20 30 DIEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512653722 340371180 /nfs/dbraw/zinc/37/11/80/340371180.db2.gz GOPIKRJKCMDTQJ-OLZOCXBDSA-N 0 3 300.352 4.291 20 30 DIEDHN C[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000512672758 340372370 /nfs/dbraw/zinc/37/23/70/340372370.db2.gz LYGQKHZSPQCAKQ-QFWMXSHPSA-N 0 3 314.326 4.469 20 30 DIEDHN CCN(CC)[C@H](CNc1cccc(F)c1C#N)c1ccsc1 ZINC000513173860 340395702 /nfs/dbraw/zinc/39/57/02/340395702.db2.gz YWCDIWRJKILAML-QGZVFWFLSA-N 0 3 317.433 4.254 20 30 DIEDHN C[C@@H]1SCCN(CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000174868223 340397957 /nfs/dbraw/zinc/39/79/57/340397957.db2.gz KISZIUORVBBWAB-RDJZCZTQSA-N 0 3 302.487 4.495 20 30 DIEDHN Cc1ccc([C@H]2CSCCN2CCCC(C)(C)C#N)cc1 ZINC000174866236 340397990 /nfs/dbraw/zinc/39/79/90/340397990.db2.gz HZDKEFWZILTRST-QGZVFWFLSA-N 0 3 302.487 4.415 20 30 DIEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000183454307 340487981 /nfs/dbraw/zinc/48/79/81/340487981.db2.gz VVUUORNGXXTCNN-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000185775429 340504984 /nfs/dbraw/zinc/50/49/84/340504984.db2.gz MCPNROYXYSMZPE-YDHLFZDLSA-N 0 3 308.372 4.411 20 30 DIEDHN CCCOc1ccc(CNCc2cc(C#N)cs2)c(C)c1 ZINC000188795262 340522022 /nfs/dbraw/zinc/52/20/22/340522022.db2.gz FXWRZIZHPWKCGY-UHFFFAOYSA-N 0 3 300.427 4.007 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192148653 340563037 /nfs/dbraw/zinc/56/30/37/340563037.db2.gz RCEPEZXWVORYIG-LJQANCHMSA-N 0 3 312.388 4.193 20 30 DIEDHN C=CC1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000523607456 340629865 /nfs/dbraw/zinc/62/98/65/340629865.db2.gz ATSLKEUWKGTFEE-UHFFFAOYSA-N 0 3 320.436 4.337 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248422 340696908 /nfs/dbraw/zinc/69/69/08/340696908.db2.gz WHNBVFCXHRHKAP-CABCVRRESA-N 0 3 324.424 4.377 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248425 340696922 /nfs/dbraw/zinc/69/69/22/340696922.db2.gz WHNBVFCXHRHKAP-LSDHHAIUSA-N 0 3 324.424 4.377 20 30 DIEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000538257721 340815252 /nfs/dbraw/zinc/81/52/52/340815252.db2.gz IFIDAKPULBGVHL-LJQANCHMSA-N 0 3 308.425 4.231 20 30 DIEDHN C=CC[C@H](C)[C@H](C)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000539091225 340872512 /nfs/dbraw/zinc/87/25/12/340872512.db2.gz UGVUDQDMKMKTTM-HOTGVXAUSA-N 0 3 309.457 4.051 20 30 DIEDHN CC(C)c1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000539508791 340888465 /nfs/dbraw/zinc/88/84/65/340888465.db2.gz ZQUGVZGXLSEKRU-INIZCTEOSA-N 0 3 308.425 4.411 20 30 DIEDHN C=C(C)COCCN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000540159764 340918963 /nfs/dbraw/zinc/91/89/63/340918963.db2.gz OCYUZKWUHWMVFF-ZDUSSCGKSA-N 0 3 315.429 4.287 20 30 DIEDHN CCc1ccc([C@H](C)NCCSCc2ccccc2C#N)o1 ZINC000540170724 340920259 /nfs/dbraw/zinc/92/02/59/340920259.db2.gz NJTBVCFMAVXFEZ-AWEZNQCLSA-N 0 3 314.454 4.298 20 30 DIEDHN C=CCC[C@@H](NCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000540460317 340932251 /nfs/dbraw/zinc/93/22/51/340932251.db2.gz IPZRSZMILMNYCC-FXAWDEMLSA-N 0 3 322.452 4.161 20 30 DIEDHN CSCc1cc(F)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000540595520 340937415 /nfs/dbraw/zinc/93/74/15/340937415.db2.gz XJVUMHFAGFXXFC-ZDUSSCGKSA-N 0 3 314.429 4.411 20 30 DIEDHN Clc1ccc(C#CCN[C@H](c2cccs2)C2CC2)cc1 ZINC000541580230 340975744 /nfs/dbraw/zinc/97/57/44/340975744.db2.gz YEMDYENMSJGXER-KRWDZBQOSA-N 0 3 301.842 4.494 20 30 DIEDHN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(CC#N)cc1)[C@@H]2C ZINC000542256930 341002185 /nfs/dbraw/zinc/00/21/85/341002185.db2.gz CIVFASBJLUPBMR-HZPDHXFCSA-N 0 3 320.436 4.269 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000542697410 341017622 /nfs/dbraw/zinc/01/76/22/341017622.db2.gz LPCZESDLBNRTRU-UHFFFAOYSA-N 0 3 305.315 4.165 20 30 DIEDHN COc1ccccc1/C=C/CN[C@H](CCC#N)c1ccccc1 ZINC000130478016 341022582 /nfs/dbraw/zinc/02/25/82/341022582.db2.gz JERGZFFPINYQMZ-YRVHBARZSA-N 0 3 306.409 4.343 20 30 DIEDHN Cc1cc(CN2CCC(CC#N)CC2)cc(C)c1OC(F)F ZINC000542850082 341023445 /nfs/dbraw/zinc/02/34/45/341023445.db2.gz LJGOVWDXWXCAQG-UHFFFAOYSA-N 0 3 308.372 4.031 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2ccccn2)c1 ZINC000131189582 341064427 /nfs/dbraw/zinc/06/44/27/341064427.db2.gz HFFBNPIHBQVGNR-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C[C@@H](CCc1cccc(F)c1)N(C)Cc1cc(C#N)ccc1F ZINC000543982878 341064942 /nfs/dbraw/zinc/06/49/42/341064942.db2.gz QCMIEIKEYSEKDV-AWEZNQCLSA-N 0 3 314.379 4.290 20 30 DIEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685720 341178675 /nfs/dbraw/zinc/17/86/75/341178675.db2.gz OFLFQLGOPYMFCI-ZBFHGGJFSA-N 0 3 315.388 4.206 20 30 DIEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685719 341178722 /nfs/dbraw/zinc/17/87/22/341178722.db2.gz OFLFQLGOPYMFCI-HOCLYGCPSA-N 0 3 315.388 4.206 20 30 DIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000076733823 341213125 /nfs/dbraw/zinc/21/31/25/341213125.db2.gz ZWCOQHIOLMUCIT-CQSZACIVSA-N 0 3 308.853 4.182 20 30 DIEDHN N#Cc1ccc(CNCCCc2ccc(Cl)cc2Cl)o1 ZINC000237736154 341219250 /nfs/dbraw/zinc/21/92/50/341219250.db2.gz YSCBCVKTPGLMOD-UHFFFAOYSA-N 0 3 309.196 4.180 20 30 DIEDHN N#Cc1cccc(COc2cccc(CN[C@@H]3C=CCCC3)c2)c1 ZINC000237849069 341222023 /nfs/dbraw/zinc/22/20/23/341222023.db2.gz FBSVSLOVGNUVMU-HXUWFJFHSA-N 0 3 318.420 4.336 20 30 DIEDHN N#Cc1ccc(CNCCc2ccc(Cl)cc2Cl)s1 ZINC000135665391 341243518 /nfs/dbraw/zinc/24/35/18/341243518.db2.gz WJMKYJDVBSNRNZ-UHFFFAOYSA-N 0 3 311.237 4.259 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000078970247 341250904 /nfs/dbraw/zinc/25/09/04/341250904.db2.gz MGAMIDBRHGBGQB-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN Cc1[nH]c2ccccc2c1C1=CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000549527934 341296392 /nfs/dbraw/zinc/29/63/92/341296392.db2.gz YNHKDIPNYYDUKC-DOTOQJQBSA-N 0 3 305.425 4.258 20 30 DIEDHN COc1cc(CNCc2ccc(C3CCC3)cc2)ccc1C#N ZINC000549821126 341303975 /nfs/dbraw/zinc/30/39/75/341303975.db2.gz MBUCHFGHMNYGLD-UHFFFAOYSA-N 0 3 306.409 4.124 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000246445550 341349000 /nfs/dbraw/zinc/34/90/00/341349000.db2.gz BOWMKTOZKKBFEP-OXJNMPFZSA-N 0 3 305.425 4.196 20 30 DIEDHN Cc1ccccc1[C@@H](NCc1cnc2ccc(C#N)cn12)C(C)C ZINC000551799087 341352081 /nfs/dbraw/zinc/35/20/81/341352081.db2.gz JXNBEIZNENGCPK-FQEVSTJZSA-N 0 3 318.424 4.001 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249029 341381306 /nfs/dbraw/zinc/38/13/06/341381306.db2.gz ZWUGIQGQAACIGY-CRAIPNDOSA-N 0 3 315.413 4.353 20 30 DIEDHN COc1ccc2oc([C@H](C)N[C@H]3CCC[C@@H](C#N)C3)c(C)c2c1 ZINC000248832683 341388054 /nfs/dbraw/zinc/38/80/54/341388054.db2.gz MRRYDJDYHSRDCG-ZNMIVQPWSA-N 0 3 312.413 4.483 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1OCC ZINC000248912942 341390104 /nfs/dbraw/zinc/39/01/04/341390104.db2.gz VQLOMSCIZJLAFS-ZMSDIMECSA-N 0 3 316.445 4.217 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3Br)C1 ZINC000248925521 341390178 /nfs/dbraw/zinc/39/01/78/341390178.db2.gz XCETVUFJZFSCOR-XHBSWPGZSA-N 0 3 319.246 4.108 20 30 DIEDHN CC(C#N)C(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000552411247 341392105 /nfs/dbraw/zinc/39/21/05/341392105.db2.gz SBSVYPMNCVHCRT-UHOFOFEASA-N 0 3 304.821 4.032 20 30 DIEDHN CC(C#N)C(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000552411248 341392116 /nfs/dbraw/zinc/39/21/16/341392116.db2.gz SBSVYPMNCVHCRT-WQVCFCJDSA-N 0 3 304.821 4.032 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000249088405 341393581 /nfs/dbraw/zinc/39/35/81/341393581.db2.gz CLPDEADENOLPBR-OXJNMPFZSA-N 0 3 305.425 4.196 20 30 DIEDHN C=C(C)COCCN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000090450900 341415868 /nfs/dbraw/zinc/41/58/68/341415868.db2.gz CGZLFHCVKMDXPC-CQSZACIVSA-N 0 3 316.470 4.362 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981369 341471424 /nfs/dbraw/zinc/47/14/24/341471424.db2.gz CBVVTZYVUCXJKZ-KPZWWZAWSA-N 0 3 310.372 4.044 20 30 DIEDHN Cc1cccnc1[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458981 341607906 /nfs/dbraw/zinc/60/79/06/341607906.db2.gz DLXSLGXDZYNYAD-RBUKOAKNSA-N 0 3 305.425 4.236 20 30 DIEDHN COCc1ccccc1/C=C(\C)CN1CCC(CCC#N)CC1 ZINC000567905333 341639963 /nfs/dbraw/zinc/63/99/63/341639963.db2.gz SGZGKXGFOYPCRQ-SAPNQHFASA-N 0 3 312.457 4.252 20 30 DIEDHN CCC[C@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572841318 341706208 /nfs/dbraw/zinc/70/62/08/341706208.db2.gz OLCYLFRKEDRIBU-IBGZPJMESA-N 0 3 323.396 4.292 20 30 DIEDHN COc1cccc(C2(CN[C@@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000574369047 341756586 /nfs/dbraw/zinc/75/65/86/341756586.db2.gz AJQBEIAQTBRBEG-AWEZNQCLSA-N 0 3 324.399 4.088 20 30 DIEDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000575122980 341779405 /nfs/dbraw/zinc/77/94/05/341779405.db2.gz NSLIBQQNCWEUMQ-VZJVUDMVSA-N 0 3 314.326 4.469 20 30 DIEDHN COc1ccc([C@@H](CCC#N)NCCOc2cccc(C)c2)cc1 ZINC000576594465 341854268 /nfs/dbraw/zinc/85/42/68/341854268.db2.gz ZWDHGWPWCDOKBC-HXUWFJFHSA-N 0 3 324.424 4.017 20 30 DIEDHN C=CCOCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000577080907 341884246 /nfs/dbraw/zinc/88/42/46/341884246.db2.gz QMZRMJPYXTZCRU-MRXNPFEDSA-N 0 3 306.409 4.078 20 30 DIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(OC(F)F)cc1 ZINC000177682891 341923502 /nfs/dbraw/zinc/92/35/02/341923502.db2.gz KYLSUKDHSWJLLE-JTQLQIEISA-N 0 3 308.353 4.072 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C#N)cs1 ZINC000177703746 341924453 /nfs/dbraw/zinc/92/44/53/341924453.db2.gz ODLNWTAUIGFQIR-BDJLRTHQSA-N 0 3 320.845 4.139 20 30 DIEDHN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867947 518183462 /nfs/dbraw/zinc/18/34/62/518183462.db2.gz LHUKEVVQHYFXTK-HNAYVOBHSA-N 0 3 305.425 4.180 20 30 DIEDHN Cc1cc([C@H](C)NCC(C)(C)CC#N)sc1Br ZINC000414158801 518187829 /nfs/dbraw/zinc/18/78/29/518187829.db2.gz ALJYJLVFXLYKAH-JTQLQIEISA-N 0 3 315.280 4.410 20 30 DIEDHN CCCC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181514581 519878036 /nfs/dbraw/zinc/87/80/36/519878036.db2.gz ZNPONNWYVHIQAC-HNNXBMFYSA-N 0 3 321.424 4.148 20 30 DIEDHN COc1cc(C)c([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176221 522224664 /nfs/dbraw/zinc/22/46/64/522224664.db2.gz HZSVEMCWLJFLIT-HUUCEWRRSA-N 0 3 324.424 4.296 20 30 DIEDHN CC[C@H](N[C@@H]1CCOc2c(C)cccc21)c1ccc(C#N)cc1 ZINC000365805641 522723560 /nfs/dbraw/zinc/72/35/60/522723560.db2.gz MINYVZFHRLNMTA-RBUKOAKNSA-N 0 3 306.409 4.431 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755134 522738299 /nfs/dbraw/zinc/73/82/99/522738299.db2.gz CECVCJATOXUSOA-ACJLOTCBSA-N 0 3 309.369 4.268 20 30 DIEDHN CC[C@H](N[C@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015261 522759374 /nfs/dbraw/zinc/75/93/74/522759374.db2.gz HSVRZYILLQDRQL-OALUTQOASA-N 0 3 324.399 4.434 20 30 DIEDHN CC[C@@H](N[C@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015260 522951098 /nfs/dbraw/zinc/95/10/98/522951098.db2.gz HSVRZYILLQDRQL-MOPGFXCFSA-N 0 3 324.399 4.434 20 30 DIEDHN C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430719 525540118 /nfs/dbraw/zinc/54/01/18/525540118.db2.gz RNSDFNXGZRKEAO-UWJYYQICSA-N 0 3 319.452 4.046 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000265475202 526043643 /nfs/dbraw/zinc/04/36/43/526043643.db2.gz JZAWKDPGLDJZNS-IIBYNOLFSA-N 0 3 320.436 4.065 20 30 DIEDHN Cn1cc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1C#N ZINC000191310016 527220007 /nfs/dbraw/zinc/22/00/07/527220007.db2.gz QPYSUUKGKJGZHV-LJQANCHMSA-N 0 3 311.404 4.057 20 30 DIEDHN C[C@H](c1ccccc1Br)N(C)C[C@@H](C)CCC#N ZINC001560671480 1060498875 /nfs/dbraw/zinc/49/88/75/1060498875.db2.gz GFRHPIKWEUTYQW-QWHCGFSZSA-N 0 3 309.251 4.382 20 30 DIEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCC1CCCCCC1 ZINC001344863656 1035506757 /nfs/dbraw/zinc/50/67/57/1035506757.db2.gz IYBQWCWAPVYLLR-ZDUSSCGKSA-N 0 3 307.825 4.000 20 30 DIEDHN Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)c(C)s1 ZINC000035253030 1035644454 /nfs/dbraw/zinc/64/44/54/1035644454.db2.gz FZENJUIYDYCFMT-ZDUSSCGKSA-N 0 3 300.427 4.118 20 30 DIEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354624 1035769513 /nfs/dbraw/zinc/76/95/13/1035769513.db2.gz YJCXXLLLTIOUIX-DTWKUNHWSA-N 0 3 307.287 4.115 20 30 DIEDHN Cc1c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331542 1035866489 /nfs/dbraw/zinc/86/64/89/1035866489.db2.gz KGQCSJDLHCISPB-KBPBESRZSA-N 0 3 309.369 4.187 20 30 DIEDHN CN(Cc1ccc(F)cc1)Cc1cccc(OCCCC#N)c1 ZINC000179646421 1035914654 /nfs/dbraw/zinc/91/46/54/1035914654.db2.gz YFRPBPDKCLFNAP-UHFFFAOYSA-N 0 3 312.388 4.140 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCC(Oc2ccccc2)CC1 ZINC001167163592 1036229953 /nfs/dbraw/zinc/22/99/53/1036229953.db2.gz IHTGHCOCFAHLRN-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OCC ZINC000610344900 1036839027 /nfs/dbraw/zinc/83/90/27/1036839027.db2.gz LFNXDPGKRLNJDZ-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN C#CCCCCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001167387045 1037093046 /nfs/dbraw/zinc/09/30/46/1037093046.db2.gz OLFQOODIANMECD-UHFFFAOYSA-N 0 3 315.301 4.387 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000155757026 1037159423 /nfs/dbraw/zinc/15/94/23/1037159423.db2.gz QZNLZMDMQAOGCK-JTQLQIEISA-N 0 3 319.817 4.166 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000155757123 1037159495 /nfs/dbraw/zinc/15/94/95/1037159495.db2.gz QZNLZMDMQAOGCK-SNVBAGLBSA-N 0 3 319.817 4.166 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2cccs2)cc1 ZINC000157818197 1037547144 /nfs/dbraw/zinc/54/71/44/1037547144.db2.gz NCIHMRMGPWLZEX-KBPBESRZSA-N 0 3 300.427 4.232 20 30 DIEDHN C=CCCCCCN(C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000559068884 1037977900 /nfs/dbraw/zinc/97/79/00/1037977900.db2.gz GACJELHQNSSYES-UHFFFAOYSA-N 0 3 312.461 4.062 20 30 DIEDHN CCn1c2ccccc2nc1[C@H]1CCCN1C[C@H](C)CCC#N ZINC000602456038 1038010926 /nfs/dbraw/zinc/01/09/26/1038010926.db2.gz ZLVDRYWVGZSIIB-CRAIPNDOSA-N 0 3 310.445 4.133 20 30 DIEDHN C[C@@H](CCC#N)CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000602456672 1038013683 /nfs/dbraw/zinc/01/36/83/1038013683.db2.gz CEJBLKLONOLORV-DOTOQJQBSA-N 0 3 324.428 4.203 20 30 DIEDHN Cc1cccc([C@@H](NC2CCC(C#N)CC2)c2ccccn2)c1 ZINC000602582328 1038046761 /nfs/dbraw/zinc/04/67/61/1038046761.db2.gz WKKGLIKEDIERPM-OUNSHVDWSA-N 0 3 305.425 4.151 20 30 DIEDHN N#CCc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000398974416 1038049238 /nfs/dbraw/zinc/04/92/38/1038049238.db2.gz YCGBUISWQULUEN-UHFFFAOYSA-N 0 3 304.315 4.061 20 30 DIEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1OCC(C)C ZINC000602802960 1038088096 /nfs/dbraw/zinc/08/80/96/1038088096.db2.gz STYSDRRKAVJWJK-OAHLLOKOSA-N 0 3 316.445 4.074 20 30 DIEDHN C[C@H](c1cccc(F)c1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908655 1038106118 /nfs/dbraw/zinc/10/61/18/1038106118.db2.gz FUEUFGYZTUFVMV-CQSZACIVSA-N 0 3 309.388 4.033 20 30 DIEDHN N#Cc1ccc(C2CCN(Cc3cc4ccccc4o3)CC2)nc1 ZINC000602910251 1038106856 /nfs/dbraw/zinc/10/68/56/1038106856.db2.gz PMBSCBAZHXHXSD-UHFFFAOYSA-N 0 3 317.392 4.079 20 30 DIEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000598619142 1038135036 /nfs/dbraw/zinc/13/50/36/1038135036.db2.gz BLLPENVCLDJMFO-IRXDYDNUSA-N 0 3 320.864 4.168 20 30 DIEDHN COc1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1C#N ZINC000749523118 1038171631 /nfs/dbraw/zinc/17/16/31/1038171631.db2.gz PQFBWUZNBNXKDM-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000341683764 1038222087 /nfs/dbraw/zinc/22/20/87/1038222087.db2.gz MVWTZARQKYIHJB-VQTJNVASSA-N 0 3 306.384 4.352 20 30 DIEDHN C[C@H](NCC1(C(F)(F)F)CCCC1)c1ccc(C#N)cc1F ZINC000599086386 1038238122 /nfs/dbraw/zinc/23/81/22/1038238122.db2.gz KYLKAFUPASNTGJ-NSHDSACASA-N 0 3 314.326 4.471 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(Cl)s1 ZINC000341760887 1038263856 /nfs/dbraw/zinc/26/38/56/1038263856.db2.gz NWQYGCWJTZUXSS-OAHLLOKOSA-N 0 3 302.830 4.440 20 30 DIEDHN CC(C)[C@H](NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000761335251 1038268715 /nfs/dbraw/zinc/26/87/15/1038268715.db2.gz PPPIZCDNARUUEI-SFHVURJKSA-N 0 3 300.352 4.323 20 30 DIEDHN CC[C@@H](NCc1ccc(C)c(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000599414805 1038282390 /nfs/dbraw/zinc/28/23/90/1038282390.db2.gz JEAKYUBKZXITGH-GOSISDBHSA-N 0 3 324.424 4.125 20 30 DIEDHN N#Cc1ccccc1CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890017 1038313565 /nfs/dbraw/zinc/31/35/65/1038313565.db2.gz KRJPRUYTBMNYMB-LJQANCHMSA-N 0 3 315.420 4.419 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCCc2sccc2C1 ZINC000610859420 1038382228 /nfs/dbraw/zinc/38/22/28/1038382228.db2.gz GQULDVGGOLJTHK-UHFFFAOYSA-N 0 3 310.466 4.498 20 30 DIEDHN C=CCN1CCC(NC(=O)N(CCCC)[C@@H](C)CCCC)CC1 ZINC000458348811 1038425273 /nfs/dbraw/zinc/42/52/73/1038425273.db2.gz ZQGHIRUYRKBQGY-KRWDZBQOSA-N 0 3 323.525 4.027 20 30 DIEDHN N#Cc1cc(CN2CCCCC[C@H]2/C=C/c2ccccc2)ccn1 ZINC000610994674 1038425956 /nfs/dbraw/zinc/42/59/56/1038425956.db2.gz MJQONWHLZYMDCX-ZJVMWOEPSA-N 0 3 317.436 4.411 20 30 DIEDHN N#Cc1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)ccn1 ZINC000610994079 1038426115 /nfs/dbraw/zinc/42/61/15/1038426115.db2.gz LJUOUXVSBKAKLT-NRFANRHFSA-N 0 3 313.404 4.027 20 30 DIEDHN COc1cc(CN[C@@H]2CCCc3ccc(C)cc32)ccc1C#N ZINC000342298418 1038521550 /nfs/dbraw/zinc/52/15/50/1038521550.db2.gz AGQHMPPFXYYHNS-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN CC(C)Oc1ccccc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000539224299 1038542883 /nfs/dbraw/zinc/54/28/83/1038542883.db2.gz BHIIPKXTAHOHTA-MRXNPFEDSA-N 0 3 324.424 4.075 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cccc(Cl)c2)cc1 ZINC000161129290 1038567325 /nfs/dbraw/zinc/56/73/25/1038567325.db2.gz MNTCMRDKNJBPDI-AWEZNQCLSA-N 0 3 314.816 4.263 20 30 DIEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000342728431 1038749443 /nfs/dbraw/zinc/74/94/43/1038749443.db2.gz MSBCCSLGJYNENK-KRWDZBQOSA-N 0 3 324.815 4.100 20 30 DIEDHN COc1ccc(CNC(C)(C)c2cccc(Cl)c2)cc1C#N ZINC000174415884 1038934311 /nfs/dbraw/zinc/93/43/11/1038934311.db2.gz PKDFBLHFCAXVQW-UHFFFAOYSA-N 0 3 314.816 4.245 20 30 DIEDHN COc1cccc(C2=CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442675024 1039111923 /nfs/dbraw/zinc/11/19/23/1039111923.db2.gz AYJSUFYJMPKTGT-INIZCTEOSA-N 0 3 318.420 4.417 20 30 DIEDHN C=CCCC[C@H](C)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000091622924 1039242151 /nfs/dbraw/zinc/24/21/51/1039242151.db2.gz MFFNMYXHZMQYSY-KRWDZBQOSA-N 0 3 302.462 4.309 20 30 DIEDHN CC(C)(C#N)CCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000539569663 1039293860 /nfs/dbraw/zinc/29/38/60/1039293860.db2.gz MYOLJAQCHDEHRC-CYBMUJFWSA-N 0 3 308.828 4.426 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@H](COCC)C2)cc1Cl ZINC000539826451 1039354947 /nfs/dbraw/zinc/35/49/47/1039354947.db2.gz SAIRFEDDRSLWKF-INIZCTEOSA-N 0 3 323.864 4.153 20 30 DIEDHN CC[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000278295631 1039361979 /nfs/dbraw/zinc/36/19/79/1039361979.db2.gz RHKLYVBUWYADHU-KRWDZBQOSA-N 0 3 316.351 4.401 20 30 DIEDHN C=C(C)COCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000540159335 1039429221 /nfs/dbraw/zinc/42/92/21/1039429221.db2.gz CAWMWVGBXFLAHE-NSHDSACASA-N 0 3 319.779 4.185 20 30 DIEDHN Cc1cc([C@@H](NCc2ccc(F)c(C#N)c2)C2CC2)ccc1F ZINC000540520049 1039510100 /nfs/dbraw/zinc/51/01/00/1039510100.db2.gz HNWCDKCLNABFBR-IBGZPJMESA-N 0 3 312.363 4.386 20 30 DIEDHN Cc1cc([C@H](NCc2ccc(C#N)s2)C2CC2)ccc1F ZINC000540628699 1039532930 /nfs/dbraw/zinc/53/29/30/1039532930.db2.gz ZSYJZPVPMRRDRO-QGZVFWFLSA-N 0 3 300.402 4.308 20 30 DIEDHN CC(C)c1nn(-c2ccccc2)cc1CN1CCC(CC#N)CC1 ZINC000541919265 1039760457 /nfs/dbraw/zinc/76/04/57/1039760457.db2.gz JJAJGQKVIXQLGW-UHFFFAOYSA-N 0 3 322.456 4.121 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152007270 1039936319 /nfs/dbraw/zinc/93/63/19/1039936319.db2.gz MLYCDRFAGYVWSJ-HNNXBMFYSA-N 0 3 323.440 4.356 20 30 DIEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1nc(C2CC2)cs1 ZINC000647375069 1040356169 /nfs/dbraw/zinc/35/61/69/1040356169.db2.gz RBOHXZBAZZQSDV-JTQLQIEISA-N 0 3 313.407 4.053 20 30 DIEDHN CCCCCCCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001167684447 1040397752 /nfs/dbraw/zinc/39/77/52/1040397752.db2.gz GNUGRFLOUHQMOH-IRXDYDNUSA-N 0 3 317.539 4.025 20 30 DIEDHN C=C[C@H](CO)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000658334504 1040428724 /nfs/dbraw/zinc/42/87/24/1040428724.db2.gz KVJSMGMAZKDAME-GPMSIDNRSA-N 0 3 311.425 4.024 20 30 DIEDHN CC[C@@H](C)N(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000179695163 1040525271 /nfs/dbraw/zinc/52/52/71/1040525271.db2.gz NJNCIGJJGFRZIG-MRXNPFEDSA-N 0 3 318.424 4.007 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1nc2ccccc2nc1C ZINC000062364452 1040573040 /nfs/dbraw/zinc/57/30/40/1040573040.db2.gz PZZRGDZPEMUEPU-UHFFFAOYSA-N 0 3 317.436 4.169 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)co2)cc1 ZINC000892501338 1040626600 /nfs/dbraw/zinc/62/66/00/1040626600.db2.gz NAENEOQSVYKJPZ-CJNGLKHVSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)co2)cc1 ZINC000892501340 1040627595 /nfs/dbraw/zinc/62/75/95/1040627595.db2.gz NAENEOQSVYKJPZ-XJKSGUPXSA-N 0 3 324.380 4.063 20 30 DIEDHN CC(C)c1ccc(C[C@@H]2CCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000613130350 1040796975 /nfs/dbraw/zinc/79/69/75/1040796975.db2.gz NWDNSQSJSPTKGZ-IBGZPJMESA-N 0 3 319.452 4.141 20 30 DIEDHN CC[C@H](CCc1ccc(Br)cc1)NCC(C)(C)C#N ZINC000613145713 1040799172 /nfs/dbraw/zinc/79/91/72/1040799172.db2.gz BQIWJALHXYHJPT-OAHLLOKOSA-N 0 3 323.278 4.300 20 30 DIEDHN CCOc1cccc2cc([C@@H](C)NCC(C)(C)CC#N)oc21 ZINC000414174961 1040954768 /nfs/dbraw/zinc/95/47/68/1040954768.db2.gz YPIMSIFKRGMGCV-CYBMUJFWSA-N 0 3 300.402 4.422 20 30 DIEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)CC(F)F ZINC000892552597 1040984024 /nfs/dbraw/zinc/98/40/24/1040984024.db2.gz AHFPGXMRRZVWOZ-JTQLQIEISA-N 0 3 306.312 4.076 20 30 DIEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)CC(F)(F)F ZINC000892553057 1040989984 /nfs/dbraw/zinc/98/99/84/1040989984.db2.gz ICIXJZQBELMDAO-SNVBAGLBSA-N 0 3 324.302 4.373 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143467994 1041043329 /nfs/dbraw/zinc/04/33/29/1041043329.db2.gz AERHIHAZXUREQA-ZDUSSCGKSA-N 0 3 312.335 4.019 20 30 DIEDHN C#Cc1ccc(CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000809542430 1041184249 /nfs/dbraw/zinc/18/42/49/1041184249.db2.gz GLBUWLHYMPKYNC-LJQANCHMSA-N 0 3 321.420 4.022 20 30 DIEDHN C#Cc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000809616076 1041196845 /nfs/dbraw/zinc/19/68/45/1041196845.db2.gz IFGOGUHFLRHBQH-UHFFFAOYSA-N 0 3 305.421 4.279 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000809603951 1041203625 /nfs/dbraw/zinc/20/36/25/1041203625.db2.gz MXTXVPQNDYWLEL-INIZCTEOSA-N 0 3 323.436 4.315 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000809603953 1041203839 /nfs/dbraw/zinc/20/38/39/1041203839.db2.gz MXTXVPQNDYWLEL-MRXNPFEDSA-N 0 3 323.436 4.315 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@H](C)NCC(C)(C)C#N)cc1 ZINC000613540422 1041223946 /nfs/dbraw/zinc/22/39/46/1041223946.db2.gz XRPXONLMVODOOO-KRWDZBQOSA-N 0 3 314.473 4.492 20 30 DIEDHN C[C@H](Nc1ccc([C@@H]2CCCCN2C)cn1)c1cccc(C#N)c1 ZINC001167707146 1041265465 /nfs/dbraw/zinc/26/54/65/1041265465.db2.gz GSUJCZTUODHYHS-KXBFYZLASA-N 0 3 320.440 4.283 20 30 DIEDHN CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OC ZINC000810208663 1041346660 /nfs/dbraw/zinc/34/66/60/1041346660.db2.gz FIVQEOTYYOZPFE-RTBURBONSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccc(C#N)cc1 ZINC000103340135 1041358030 /nfs/dbraw/zinc/35/80/30/1041358030.db2.gz HZRSRFMWKIOTNT-CQSZACIVSA-N 0 3 306.409 4.123 20 30 DIEDHN CC(C)c1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728711521 1041472474 /nfs/dbraw/zinc/47/24/74/1041472474.db2.gz CFXDNGZXNSMIFS-MRXNPFEDSA-N 0 3 308.425 4.391 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728713136 1041478823 /nfs/dbraw/zinc/47/88/23/1041478823.db2.gz MHOLSCOABLLYOE-CVEARBPZSA-N 0 3 324.424 4.227 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276892 1041588210 /nfs/dbraw/zinc/58/82/10/1041588210.db2.gz QYEYBSNNBUPTKH-HBFSDRIKSA-N 0 3 305.425 4.037 20 30 DIEDHN CCc1ccc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170684215 1041640324 /nfs/dbraw/zinc/64/03/24/1041640324.db2.gz VXWIBKJXCUVVEP-FQEVSTJZSA-N 0 3 307.412 4.229 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1cncc(F)c1)C1CC1 ZINC000417366874 1041665443 /nfs/dbraw/zinc/66/54/43/1041665443.db2.gz NXGONFFRPCATFQ-WOJBJXKFSA-N 0 3 321.399 4.211 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813213589 1041680645 /nfs/dbraw/zinc/68/06/45/1041680645.db2.gz NZZOXVIXKYZFBP-LMVHVUTASA-N 0 3 322.330 4.413 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1N1CCCCC1 ZINC000015103712 1041780815 /nfs/dbraw/zinc/78/08/15/1041780815.db2.gz WZOXNRGQXJYYLY-UHFFFAOYSA-N 0 3 319.452 4.181 20 30 DIEDHN C[C@]1(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000828589206 1041799576 /nfs/dbraw/zinc/79/95/76/1041799576.db2.gz GEXNDYXTAQSSTA-MRXNPFEDSA-N 0 3 321.251 4.231 20 30 DIEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000236743507 1041974972 /nfs/dbraw/zinc/97/49/72/1041974972.db2.gz NCPXFAMNYAKGPH-KRWDZBQOSA-N 0 3 323.436 4.337 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC2CCC1CC2)c1ccc2ccccc2n1 ZINC000815899135 1042001195 /nfs/dbraw/zinc/00/11/95/1042001195.db2.gz GTRYHDFDYLILKQ-GMGZGELVSA-N 0 3 304.393 4.237 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000662087540 1042058728 /nfs/dbraw/zinc/05/87/28/1042058728.db2.gz BWPPONMTRCRYHK-HDICACEKSA-N 0 3 324.424 4.423 20 30 DIEDHN C=CCOc1ccc(CNCc2cc3ccccc3[nH]2)cc1OC ZINC000058474206 1042070896 /nfs/dbraw/zinc/07/08/96/1042070896.db2.gz IYSMKVLQIKHQFW-UHFFFAOYSA-N 0 3 322.408 4.031 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2[nH]ccc21 ZINC000093872513 1042078691 /nfs/dbraw/zinc/07/86/91/1042078691.db2.gz UVEZMEZDKRKIEY-CTNGQTDRSA-N 0 3 315.420 4.440 20 30 DIEDHN CCCSCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000125747714 1042096800 /nfs/dbraw/zinc/09/68/00/1042096800.db2.gz JNYGKOYAVSJEQC-SNVBAGLBSA-N 0 3 324.858 4.269 20 30 DIEDHN C=CC(C)(C)CN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817584282 1042117207 /nfs/dbraw/zinc/11/72/07/1042117207.db2.gz ANHUSICZTZWGPV-LLVKDONJSA-N 0 3 315.280 4.159 20 30 DIEDHN CCCCCCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC001136177739 1042164475 /nfs/dbraw/zinc/16/44/75/1042164475.db2.gz ZKZCNBDFSWRDRY-UHFFFAOYSA-N 0 3 308.510 4.214 20 30 DIEDHN C=CCCCN1CCC[C@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001167818690 1042179214 /nfs/dbraw/zinc/17/92/14/1042179214.db2.gz IKKLZGDQMPLWKU-SFHVURJKSA-N 0 3 311.429 4.188 20 30 DIEDHN CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000585729070 1042238723 /nfs/dbraw/zinc/23/87/23/1042238723.db2.gz VBJRNJUKHRVCID-ZDUSSCGKSA-N 0 3 314.816 4.461 20 30 DIEDHN CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000585729069 1042238793 /nfs/dbraw/zinc/23/87/93/1042238793.db2.gz VBJRNJUKHRVCID-CYBMUJFWSA-N 0 3 314.816 4.461 20 30 DIEDHN CCN(CC)Cc1cccc(N[C@H]2CC[C@H](C#N)CC2)c1F ZINC001167844871 1042262688 /nfs/dbraw/zinc/26/26/88/1042262688.db2.gz BYRNKBJBDOZCNM-KOMQPUFPSA-N 0 3 303.425 4.162 20 30 DIEDHN N#C[C@H]1CC[C@H](Nc2ccnc3ccc(C(F)(F)F)cc32)CC1 ZINC001167844897 1042262794 /nfs/dbraw/zinc/26/27/94/1042262794.db2.gz KPYQTNJGLZTYQC-AULYBMBSSA-N 0 3 319.330 4.170 20 30 DIEDHN COc1ccc([C@H](NCc2cc(C#N)ccc2OC)C(C)C)cc1 ZINC000182050439 1042264409 /nfs/dbraw/zinc/26/44/09/1042264409.db2.gz KUSFXYDXPFQMHC-HXUWFJFHSA-N 0 3 324.424 4.062 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(F)F)c(F)c1 ZINC000894102746 1042420802 /nfs/dbraw/zinc/42/08/02/1042420802.db2.gz QCOIZGULFKIKAS-KRWDZBQOSA-N 0 3 316.326 4.412 20 30 DIEDHN CC(C)(C#N)c1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000614174009 1042421257 /nfs/dbraw/zinc/42/12/57/1042421257.db2.gz FLJMHVGQHMQRQW-UHFFFAOYSA-N 0 3 308.400 4.406 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000614179371 1042423596 /nfs/dbraw/zinc/42/35/96/1042423596.db2.gz PYXYVTMKAGMCEB-HXUWFJFHSA-N 0 3 322.452 4.091 20 30 DIEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1 ZINC000047376053 1042477236 /nfs/dbraw/zinc/47/72/36/1042477236.db2.gz DGESVPKPNIYRGG-MRXNPFEDSA-N 0 3 323.355 4.273 20 30 DIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000614397333 1042490028 /nfs/dbraw/zinc/49/00/28/1042490028.db2.gz LVVGYPYRIMJSHL-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN COCCN(Cc1ccc(C#N)cc1C)[C@H](C)c1ccccc1 ZINC000614396817 1042490342 /nfs/dbraw/zinc/49/03/42/1042490342.db2.gz PVTVLVOKBQORJV-QGZVFWFLSA-N 0 3 308.425 4.076 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000614400659 1042491732 /nfs/dbraw/zinc/49/17/32/1042491732.db2.gz BFASFZFMWZAVKQ-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442992 1042712445 /nfs/dbraw/zinc/71/24/45/1042712445.db2.gz PYIMQAIMVDTPHZ-ACJLOTCBSA-N 0 3 321.424 4.093 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000424300472 1042732478 /nfs/dbraw/zinc/73/24/78/1042732478.db2.gz XVJJQLVVYXRSAF-QRTARXTBSA-N 0 3 314.454 4.052 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1=Cc2ccccc2OC1 ZINC000425365848 1042797418 /nfs/dbraw/zinc/79/74/18/1042797418.db2.gz NJZAYUUMKLPVCT-HNNXBMFYSA-N 0 3 304.393 4.027 20 30 DIEDHN CCN(Cc1c(C)cc(OC)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000515534730 1042825411 /nfs/dbraw/zinc/82/54/11/1042825411.db2.gz JELARMWRGCYGHD-INIZCTEOSA-N 0 3 323.440 4.162 20 30 DIEDHN Cc1cc2c(cc1C)[C@@H](NCc1cccc(C#N)c1)CCCO2 ZINC000151383466 1042990445 /nfs/dbraw/zinc/99/04/45/1042990445.db2.gz OYFGNJIQLPNZDL-IBGZPJMESA-N 0 3 306.409 4.179 20 30 DIEDHN C[C@H]1C[C@H](c2cccc(F)c2)N(CCOc2ccccc2C#N)C1 ZINC000441320845 1043035903 /nfs/dbraw/zinc/03/59/03/1043035903.db2.gz DATMMZVDALCQTI-HNAYVOBHSA-N 0 3 324.399 4.159 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2ncccc2C)C(C)C)cc1 ZINC000120517360 1043085080 /nfs/dbraw/zinc/08/50/80/1043085080.db2.gz DGSMSHFZTWMAFD-FXAWDEMLSA-N 0 3 322.452 4.450 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2csc(C)c2C)c1 ZINC000865464143 1043101492 /nfs/dbraw/zinc/10/14/92/1043101492.db2.gz UNDARNDWDYUTDT-QGZVFWFLSA-N 0 3 314.454 4.336 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177099 1043123929 /nfs/dbraw/zinc/12/39/29/1043123929.db2.gz KEAXDJWCAUJGCD-KBXCAEBGSA-N 0 3 322.408 4.131 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](C)c2cc3cnccc3o2)cc1 ZINC000865854211 1043142396 /nfs/dbraw/zinc/14/23/96/1043142396.db2.gz MZJAARLMCDSWCK-OAHLLOKOSA-N 0 3 320.392 4.081 20 30 DIEDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800279 1043143971 /nfs/dbraw/zinc/14/39/71/1043143971.db2.gz AELFXOFUVNFIOC-GJZGRUSLSA-N 0 3 312.388 4.448 20 30 DIEDHN C=C(Br)CN[C@@H](C)CCc1cncc2ccccc21 ZINC000866261180 1043167942 /nfs/dbraw/zinc/16/79/42/1043167942.db2.gz QNPHVBHCTMYPGU-ZDUSSCGKSA-N 0 3 319.246 4.054 20 30 DIEDHN C=CC[C@@H](C(=O)Nc1cc(CN(C)C)ccc1C)c1ccccc1 ZINC000190098105 1043173092 /nfs/dbraw/zinc/17/30/92/1043173092.db2.gz JHIPGVMMHGGUHV-LJQANCHMSA-N 0 3 322.452 4.355 20 30 DIEDHN COc1ccc(CN(C)Cc2ccccc2C(C)(C)C#N)cc1C ZINC000487393738 1043192400 /nfs/dbraw/zinc/19/24/00/1043192400.db2.gz LYWOVGXTLNVZDF-UHFFFAOYSA-N 0 3 322.452 4.437 20 30 DIEDHN CC(C)CCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186163734 1043217057 /nfs/dbraw/zinc/21/70/57/1043217057.db2.gz TVEJANNBIAEBKO-MRXNPFEDSA-N 0 3 300.446 4.146 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cc3cnccc3o2)cc1 ZINC000866622395 1043240055 /nfs/dbraw/zinc/24/00/55/1043240055.db2.gz ZFFFLTATOXKYBQ-HUUCEWRRSA-N 0 3 320.392 4.252 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cc3cnccc3o2)cc1 ZINC000866622389 1043240493 /nfs/dbraw/zinc/24/04/93/1043240493.db2.gz ZFFFLTATOXKYBQ-CABCVRRESA-N 0 3 320.392 4.252 20 30 DIEDHN Cn1c2ccccc2nc1[C@H]1CCCN1CCCC(C)(C)C#N ZINC000267820987 1043308831 /nfs/dbraw/zinc/30/88/31/1043308831.db2.gz OVFFPJGRPDUFGL-QGZVFWFLSA-N 0 3 310.445 4.040 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000268789263 1043330653 /nfs/dbraw/zinc/33/06/53/1043330653.db2.gz FIGGPRZWUODVAJ-KGLIPLIRSA-N 0 3 309.369 4.187 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416494 1043416930 /nfs/dbraw/zinc/41/69/30/1043416930.db2.gz BIJXJCKLGFSKFE-QFBILLFUSA-N 0 3 321.420 4.263 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767411 1043420922 /nfs/dbraw/zinc/42/09/22/1043420922.db2.gz MQHQCZRHTRXTSY-GIVPXCGWSA-N 0 3 320.436 4.226 20 30 DIEDHN COc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796261 1043422930 /nfs/dbraw/zinc/42/29/30/1043422930.db2.gz VSIITXGINKSLIG-LKUPVBHCSA-N 0 3 320.436 4.375 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860611 1043436735 /nfs/dbraw/zinc/43/67/35/1043436735.db2.gz LHPJJKVTNPIJML-POAQFYNOSA-N 0 3 306.409 4.089 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634925 1043440063 /nfs/dbraw/zinc/44/00/63/1043440063.db2.gz MZEINKTWALMQRB-JXFKEZNVSA-N 0 3 307.437 4.329 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871949 1043441745 /nfs/dbraw/zinc/44/17/45/1043441745.db2.gz MLFCUDRFLVCXAY-OXFYSEKESA-N 0 3 318.420 4.459 20 30 DIEDHN CCN(CC#Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12 ZINC000442885216 1043447631 /nfs/dbraw/zinc/44/76/31/1043447631.db2.gz MYJJVKZHFYNGJN-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000442891506 1043450167 /nfs/dbraw/zinc/45/01/67/1043450167.db2.gz NJKXIBVWMYWGLC-CJNGLKHVSA-N 0 3 312.363 4.387 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000442891507 1043451842 /nfs/dbraw/zinc/45/18/42/1043451842.db2.gz NJKXIBVWMYWGLC-CZUORRHYSA-N 0 3 312.363 4.387 20 30 DIEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694753 1043454755 /nfs/dbraw/zinc/45/47/55/1043454755.db2.gz FLHMFPLDUKKCRH-UTKZUKDTSA-N 0 3 324.468 4.069 20 30 DIEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694748 1043455293 /nfs/dbraw/zinc/45/52/93/1043455293.db2.gz FLHMFPLDUKKCRH-DYESRHJHSA-N 0 3 324.468 4.069 20 30 DIEDHN CC(C)CN(CCOCCC#N)[C@@H](C)c1ccccc1Cl ZINC000339169998 1043457177 /nfs/dbraw/zinc/45/71/77/1043457177.db2.gz NGBTZRYKNSAIPV-HNNXBMFYSA-N 0 3 308.853 4.289 20 30 DIEDHN C#C[C@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000872138959 1043477692 /nfs/dbraw/zinc/47/76/92/1043477692.db2.gz CDBZMCJHDYFHJP-QSFXBCCZSA-N 0 3 308.400 4.092 20 30 DIEDHN CCc1oc2ccccc2c1CNCc1ccc(C#N)c(OC)c1 ZINC000522037451 1043526670 /nfs/dbraw/zinc/52/66/70/1043526670.db2.gz JRNVYTTUVGXYQL-UHFFFAOYSA-N 0 3 320.392 4.165 20 30 DIEDHN Cc1oc2ccccc2c1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000558510035 1043527155 /nfs/dbraw/zinc/52/71/55/1043527155.db2.gz WNTNKEAZXAPINK-LJQANCHMSA-N 0 3 302.377 4.390 20 30 DIEDHN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(F)c(C#N)c1 ZINC000190484557 1043580132 /nfs/dbraw/zinc/58/01/32/1043580132.db2.gz CSNKKWRJSNNPDN-UHFFFAOYSA-N 0 3 307.372 4.201 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000926473210 1043582990 /nfs/dbraw/zinc/58/29/90/1043582990.db2.gz YSFVTMWKXDDRKS-DBVUQKKJSA-N 0 3 322.452 4.379 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCSc3ccccc31)CC2 ZINC000353272297 1043594310 /nfs/dbraw/zinc/59/43/10/1043594310.db2.gz LNEBSALWOZJDKL-MSOLQXFVSA-N 0 3 306.434 4.372 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603078 1043606633 /nfs/dbraw/zinc/60/66/33/1043606633.db2.gz SJYJCZCAFBVGOJ-KUHUBIRLSA-N 0 3 320.440 4.208 20 30 DIEDHN CO[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000558853036 1043618063 /nfs/dbraw/zinc/61/80/63/1043618063.db2.gz OWNHBPBETGHZEH-OAQYLSRUSA-N 0 3 318.420 4.035 20 30 DIEDHN C[C@@H]1Cc2ccccc2CN1Cc1cccc(OCCCC#N)c1 ZINC000353667806 1043632192 /nfs/dbraw/zinc/63/21/92/1043632192.db2.gz VVRFTIOQFVTFBM-QGZVFWFLSA-N 0 3 320.436 4.316 20 30 DIEDHN Cc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000353914679 1043656494 /nfs/dbraw/zinc/65/64/94/1043656494.db2.gz KZDJPVLIAVLHKV-SFHVURJKSA-N 0 3 323.396 4.428 20 30 DIEDHN COc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1F ZINC000353916940 1043657212 /nfs/dbraw/zinc/65/72/12/1043657212.db2.gz SATRUGXEFRNELU-GOSISDBHSA-N 0 3 312.388 4.359 20 30 DIEDHN C=C(C)[C@H](NCc1cc(C)ccc1O)c1ccc(F)c(F)c1 ZINC000187371009 1043733912 /nfs/dbraw/zinc/73/39/12/1043733912.db2.gz OCWAKZZDSOOQBG-SFHVURJKSA-N 0 3 303.352 4.386 20 30 DIEDHN C[C@@H](CCC#N)CNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877668731 1043788457 /nfs/dbraw/zinc/78/84/57/1043788457.db2.gz MOROAVJDJZMRAA-NSHDSACASA-N 0 3 305.809 4.246 20 30 DIEDHN N#Cc1cncc(CN(Cc2cccc(F)c2)C2CCCC2)c1 ZINC000929912108 1043851671 /nfs/dbraw/zinc/85/16/71/1043851671.db2.gz MKFOKMOGWPUQAC-UHFFFAOYSA-N 0 3 309.388 4.037 20 30 DIEDHN N#Cc1cncc(CN[C@@H](c2ccccc2)C2CCCCC2)c1 ZINC000930141037 1043884705 /nfs/dbraw/zinc/88/47/05/1043884705.db2.gz OIJAAEFGICPKEN-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1ccc(O)c2nc(C)ccc12 ZINC000561359932 1043936687 /nfs/dbraw/zinc/93/66/87/1043936687.db2.gz HQSKQIRBYLAUCD-UHFFFAOYSA-N 0 3 324.449 4.499 20 30 DIEDHN C/C=C\C[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879066600 1043940694 /nfs/dbraw/zinc/94/06/94/1043940694.db2.gz PVUVNDGHXOAXNJ-VURZDNKASA-N 0 3 324.468 4.105 20 30 DIEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000329159929 1043947515 /nfs/dbraw/zinc/94/75/15/1043947515.db2.gz XXIUONFUQCHMBZ-HZPDHXFCSA-N 0 3 317.477 4.070 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cc2cnccc2o1 ZINC000879713469 1043983088 /nfs/dbraw/zinc/98/30/88/1043983088.db2.gz PSANYIWFJROGAI-AWEZNQCLSA-N 0 3 319.408 4.480 20 30 DIEDHN COc1ccccc1[C@@H]1CSCCCN1CCC(C)(C)C#N ZINC000880175739 1044018395 /nfs/dbraw/zinc/01/83/95/1044018395.db2.gz DZAISBYKYWBEQE-INIZCTEOSA-N 0 3 318.486 4.115 20 30 DIEDHN N#CCOc1ccc(CN2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880536255 1044045537 /nfs/dbraw/zinc/04/55/37/1044045537.db2.gz FCWNRJJLOLNZBY-JXFKEZNVSA-N 0 3 304.393 4.023 20 30 DIEDHN C=C[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237405915 1044080950 /nfs/dbraw/zinc/08/09/50/1044080950.db2.gz NHJOHEDQFUXOSB-GFCCVEGCSA-N 0 3 316.332 4.190 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC000932203942 1044109125 /nfs/dbraw/zinc/10/91/25/1044109125.db2.gz NFGCAFFWROYJOY-GDBMZVCRSA-N 0 3 311.454 4.030 20 30 DIEDHN C#CCC1(NCc2ccc(Oc3ccccc3)nn2)CCCCC1 ZINC000933265201 1044190072 /nfs/dbraw/zinc/19/00/72/1044190072.db2.gz UIFWZDMIKQIPKV-UHFFFAOYSA-N 0 3 321.424 4.085 20 30 DIEDHN N#CCCC[C@H](NCc1cccc(Cl)c1N)c1ccccc1 ZINC000883130374 1044223255 /nfs/dbraw/zinc/22/32/55/1044223255.db2.gz CBKKKCMYVMUZMQ-KRWDZBQOSA-N 0 3 313.832 4.447 20 30 DIEDHN C=CCCC[C@@H](NCc1c(C2CC2)cnn1C)c1ccccc1 ZINC000883236223 1044241369 /nfs/dbraw/zinc/24/13/69/1044241369.db2.gz WJKVAQCAZBGIGL-LJQANCHMSA-N 0 3 309.457 4.485 20 30 DIEDHN C=CCC[C@H](Cc1ccccc1)NCc1nn(C)cc1C(F)F ZINC000883242626 1044243086 /nfs/dbraw/zinc/24/30/86/1044243086.db2.gz MEYHAUXTSYPFOT-OAHLLOKOSA-N 0 3 319.399 4.025 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273486 1044266282 /nfs/dbraw/zinc/26/62/82/1044266282.db2.gz CKFAPEAZFAKZLJ-AUUYWEPGSA-N 0 3 322.408 4.147 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1ccncc1)C1CC1 ZINC000934693584 1044272187 /nfs/dbraw/zinc/27/21/87/1044272187.db2.gz SYVHVKZHCMEPKF-IBGZPJMESA-N 0 3 305.425 4.124 20 30 DIEDHN COC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655678 1044297208 /nfs/dbraw/zinc/29/72/08/1044297208.db2.gz DRQISZQAFNORKX-LEWJYISDSA-N 0 3 320.436 4.303 20 30 DIEDHN C=C(Cl)CNC1CC(c2ccc(Br)cc2)C1 ZINC000167746172 1044306060 /nfs/dbraw/zinc/30/60/60/1044306060.db2.gz JOBXONDXCYLWOV-UHFFFAOYSA-N 0 3 300.627 4.037 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc(F)cc(F)c1 ZINC000360838156 1044317287 /nfs/dbraw/zinc/31/72/87/1044317287.db2.gz AZQRJNWUIHEHBO-IBGZPJMESA-N 0 3 312.363 4.394 20 30 DIEDHN C[C@@H](NCC(C)(C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000348246144 1044349363 /nfs/dbraw/zinc/34/93/63/1044349363.db2.gz RZABFGHKTLXQOU-SECBINFHSA-N 0 3 305.369 4.142 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC1CC(C(C)(C)C)C1 ZINC001202579061 1044363040 /nfs/dbraw/zinc/36/30/40/1044363040.db2.gz FLYPRGZWZUYCHJ-UHFFFAOYSA-N 0 3 305.849 4.266 20 30 DIEDHN N#Cc1csc(CNCC2CCC(c3ccccc3)CC2)n1 ZINC000564498133 1044386097 /nfs/dbraw/zinc/38/60/97/1044386097.db2.gz QQFRJOJWXYBSTL-UHFFFAOYSA-N 0 3 311.454 4.078 20 30 DIEDHN Cc1cccc([C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000740530725 1044396350 /nfs/dbraw/zinc/39/63/50/1044396350.db2.gz ABPACWHDXPJLMF-DZGCQCFKSA-N 0 3 304.349 4.116 20 30 DIEDHN CCCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565109742 1044414967 /nfs/dbraw/zinc/41/49/67/1044414967.db2.gz MOUGJAHIPAVEFT-HXUWFJFHSA-N 0 3 306.409 4.124 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000565353373 1044429827 /nfs/dbraw/zinc/42/98/27/1044429827.db2.gz ZPAMXYLKRBSXQT-UKPHBRMFSA-N 0 3 301.821 4.009 20 30 DIEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc(C#N)ccc1F ZINC000609916455 1044478031 /nfs/dbraw/zinc/47/80/31/1044478031.db2.gz PWRUMFLNMVLPMM-CJNGLKHVSA-N 0 3 312.363 4.214 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000186556152 1044482612 /nfs/dbraw/zinc/48/26/12/1044482612.db2.gz MIZBMWKAEGMOEF-OAHLLOKOSA-N 0 3 323.415 4.335 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861790 1044570240 /nfs/dbraw/zinc/57/02/40/1044570240.db2.gz GPZZBWDBPLYHKW-MLGOLLRUSA-N 0 3 311.816 4.335 20 30 DIEDHN CC(C)CC[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362963956 1044571214 /nfs/dbraw/zinc/57/12/14/1044571214.db2.gz QXDGPTLWSNABJR-KRWDZBQOSA-N 0 3 324.428 4.009 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000523556795 1044658319 /nfs/dbraw/zinc/65/83/19/1044658319.db2.gz NHGJGDKSYXXDBT-MRXNPFEDSA-N 0 3 320.452 4.023 20 30 DIEDHN C=CCC[C@@H](N[C@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553122 1044658992 /nfs/dbraw/zinc/65/89/92/1044658992.db2.gz DSSNISPHAKXNKQ-DNVCBOLYSA-N 0 3 324.424 4.226 20 30 DIEDHN COc1cccc([C@@H](C)NCc2ccc(SC)c(C#N)c2)c1 ZINC000886686346 1044679056 /nfs/dbraw/zinc/67/90/56/1044679056.db2.gz NZHITBDENVUPML-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN CSc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1C#N ZINC000886689792 1044680881 /nfs/dbraw/zinc/68/08/81/1044680881.db2.gz HTFDKYIUDVWOHQ-CYBMUJFWSA-N 0 3 312.438 4.145 20 30 DIEDHN CSc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000886688626 1044682074 /nfs/dbraw/zinc/68/20/74/1044682074.db2.gz WLUKRAYQDYULMH-KRWDZBQOSA-N 0 3 312.413 4.196 20 30 DIEDHN C[C@@H]1C[C@@H]1c1ccc(CN(CCCSCC#N)C2CC2)o1 ZINC000074980543 1044687360 /nfs/dbraw/zinc/68/73/60/1044687360.db2.gz POLSTYLQSLFLFO-CJNGLKHVSA-N 0 3 304.459 4.014 20 30 DIEDHN CCCCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000075623907 1044688833 /nfs/dbraw/zinc/68/88/33/1044688833.db2.gz QOSFEUXVXILEDU-UHFFFAOYSA-N 0 3 312.417 4.009 20 30 DIEDHN C=CC[C@H](C)N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935839 1044705099 /nfs/dbraw/zinc/70/50/99/1044705099.db2.gz KNAUPPQJEJAYNR-KBXCAEBGSA-N 0 3 312.388 4.060 20 30 DIEDHN N#CCc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000570211534 1044739703 /nfs/dbraw/zinc/73/97/03/1044739703.db2.gz HHRPXCPNOHIQRN-IBGZPJMESA-N 0 3 318.420 4.289 20 30 DIEDHN CCC(=O)Nc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000570474593 1044761464 /nfs/dbraw/zinc/76/14/64/1044761464.db2.gz BADIQEFETVQQHM-IBGZPJMESA-N 0 3 321.424 4.148 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000034992799 1044797554 /nfs/dbraw/zinc/79/75/54/1044797554.db2.gz MAEZLVQOTIOING-CYBMUJFWSA-N 0 3 300.789 4.093 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000572104603 1044842363 /nfs/dbraw/zinc/84/23/63/1044842363.db2.gz MROJXVANAVEAIB-UKPHBRMFSA-N 0 3 301.821 4.009 20 30 DIEDHN C[C@@H](CCC#N)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315936 1044995521 /nfs/dbraw/zinc/99/55/21/1044995521.db2.gz KCARMFVJWMLJGB-AAEUAGOBSA-N 0 3 313.228 4.139 20 30 DIEDHN CC(=O)c1ccc2c(c1)CCN(CCC1(C#N)CCCCC1)CC2 ZINC000411407143 1045006102 /nfs/dbraw/zinc/00/61/02/1045006102.db2.gz KQKOPADKKGWOSU-UHFFFAOYSA-N 0 3 324.468 4.154 20 30 DIEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC000778995756 1045110815 /nfs/dbraw/zinc/11/08/15/1045110815.db2.gz DKKOCUWPCMQSKH-UHFFFAOYSA-N 0 3 312.388 4.061 20 30 DIEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC000778995756 1045110820 /nfs/dbraw/zinc/11/08/20/1045110820.db2.gz DKKOCUWPCMQSKH-UHFFFAOYSA-N 0 3 312.388 4.061 20 30 DIEDHN C=CCOc1ccccc1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000447532835 1045138978 /nfs/dbraw/zinc/13/89/78/1045138978.db2.gz VSDKQSJOUXCUDA-LJQANCHMSA-N 0 3 306.409 4.364 20 30 DIEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000447574844 1045147392 /nfs/dbraw/zinc/14/73/92/1045147392.db2.gz OXOVYHQHQOGJOM-WMZOPIPTSA-N 0 3 322.456 4.168 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586754 1045152675 /nfs/dbraw/zinc/15/26/75/1045152675.db2.gz OPTGNJXEKPSQKP-LMNJBCLMSA-N 0 3 320.436 4.479 20 30 DIEDHN CC1(C)C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588370 1045155391 /nfs/dbraw/zinc/15/53/91/1045155391.db2.gz UBVPOISDDWNFCU-INWMFGNUSA-N 0 3 302.393 4.100 20 30 DIEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(OCc2ccccc2)c1 ZINC000924673774 1045188597 /nfs/dbraw/zinc/18/85/97/1045188597.db2.gz XEUJSNHMQMGDKZ-MRXNPFEDSA-N 0 3 323.440 4.079 20 30 DIEDHN CC(C)CC(=O)Nc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924786062 1045198175 /nfs/dbraw/zinc/19/81/75/1045198175.db2.gz BSSCXAVGZLPTMT-OAHLLOKOSA-N 0 3 315.461 4.089 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292436 1045212539 /nfs/dbraw/zinc/21/25/39/1045212539.db2.gz WZFPPGXFOKVGOS-SVFBPWRDSA-N 0 3 319.452 4.427 20 30 DIEDHN Cc1ncc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299159 1045212715 /nfs/dbraw/zinc/21/27/15/1045212715.db2.gz JEMUUMBWBLVTNN-YVEFUNNKSA-N 0 3 311.454 4.442 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000527774352 1045263181 /nfs/dbraw/zinc/26/31/81/1045263181.db2.gz SFNMXSZVNIYWSW-HXUWFJFHSA-N 0 3 308.425 4.277 20 30 DIEDHN C[C@@H](NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000578673675 1045263696 /nfs/dbraw/zinc/26/36/96/1045263696.db2.gz HOZYRXRNQUCBOD-WIBUTAKZSA-N 0 3 324.399 4.268 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000527935881 1045287415 /nfs/dbraw/zinc/28/74/15/1045287415.db2.gz MYHRSEVQXHBZOB-HNNXBMFYSA-N 0 3 324.399 4.302 20 30 DIEDHN C=CCC[C@@H](NC[C@H](c1ccsc1)N(C)C)c1ccco1 ZINC000579017739 1045288986 /nfs/dbraw/zinc/28/89/86/1045288986.db2.gz NQVCDEHTRRAWEB-HZPDHXFCSA-N 0 3 304.459 4.241 20 30 DIEDHN C=C(C)[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780792 1045331485 /nfs/dbraw/zinc/33/14/85/1045331485.db2.gz PEZKHDQCABPELX-ROUUACIJSA-N 0 3 321.342 4.044 20 30 DIEDHN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1CC#Cc1ccc(Cl)cc1 ZINC000528584575 1045379757 /nfs/dbraw/zinc/37/97/57/1045379757.db2.gz OEZWZBUJQDNGIX-SJPCQFCGSA-N 0 3 321.798 4.344 20 30 DIEDHN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1CC#Cc1cccc(Cl)c1 ZINC000528585067 1045379827 /nfs/dbraw/zinc/37/98/27/1045379827.db2.gz SITQBOYPHYTVBU-SJPCQFCGSA-N 0 3 321.798 4.344 20 30 DIEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1Cc1cc(C#N)cs1 ZINC000449364509 1045382567 /nfs/dbraw/zinc/38/25/67/1045382567.db2.gz RATYFHCEXCHOEE-UMNHJUIQSA-N 0 3 302.365 4.171 20 30 DIEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC(F)(F)CC1 ZINC000528928982 1045430809 /nfs/dbraw/zinc/43/08/09/1045430809.db2.gz QMAQSQJQTAFWBI-LLVKDONJSA-N 0 3 318.323 4.220 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2cccc3c2CCCCC3)n1 ZINC001122395241 1045564764 /nfs/dbraw/zinc/56/47/64/1045564764.db2.gz PGKCGKHCHINRLW-MRXNPFEDSA-N 0 3 310.422 4.211 20 30 DIEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000119855676 1045581021 /nfs/dbraw/zinc/58/10/21/1045581021.db2.gz QVWJJERDWCDPKI-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN CC(=NNc1ccccc1F)c1ccc(-n2ccnc2C)cc1 ZINC000751519813 1045610310 /nfs/dbraw/zinc/61/03/10/1045610310.db2.gz BHJHNZDNYJLDCF-UHFFFAOYSA-N 0 3 308.360 4.156 20 30 DIEDHN N#CC(C(=O)c1ccc2ccccc2c1)c1cnc2ccccc2n1 ZINC000190909757 1045631206 /nfs/dbraw/zinc/63/12/06/1045631206.db2.gz LUZIZPLGELRFPO-QGZVFWFLSA-N 0 3 323.355 4.273 20 30 DIEDHN C#CCCOc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190963045 1045635209 /nfs/dbraw/zinc/63/52/09/1045635209.db2.gz LUMZLIOSHRZNRK-DYESRHJHSA-N 0 3 320.436 4.067 20 30 DIEDHN CCCn1c(C(=O)C(C#N)c2nc(C)cs2)cc2ccccc21 ZINC000191436270 1045705311 /nfs/dbraw/zinc/70/53/11/1045705311.db2.gz XZPJXPDCGJKNDN-AWEZNQCLSA-N 0 3 323.421 4.306 20 30 DIEDHN Cc1cccc(-c2ccc(CNCc3cc(C#N)n(C)c3)cc2)c1 ZINC000191463435 1045709280 /nfs/dbraw/zinc/70/92/80/1045709280.db2.gz MBMQTJZKUQJZTG-UHFFFAOYSA-N 0 3 315.420 4.162 20 30 DIEDHN C[C@H](C#N)OCCN(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000801916404 1045835506 /nfs/dbraw/zinc/83/55/06/1045835506.db2.gz XJMSLIONZXVETH-HZPDHXFCSA-N 0 3 314.454 4.240 20 30 DIEDHN C[C@H](C#N)OCCN1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000801921637 1045840128 /nfs/dbraw/zinc/84/01/28/1045840128.db2.gz IEKSFTFRTSOZBQ-PBHICJAKSA-N 0 3 306.837 4.186 20 30 DIEDHN CCN(Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC001137632676 1045914477 /nfs/dbraw/zinc/91/44/77/1045914477.db2.gz IHRSSEPVZDLHTE-UHFFFAOYSA-N 0 3 321.262 4.475 20 30 DIEDHN C=CCc1cc(OC)cc(CN2CC[C@H]2c2ccccc2)c1O ZINC000754725952 1045921794 /nfs/dbraw/zinc/92/17/94/1045921794.db2.gz ISNJVJWUUWEDDY-IBGZPJMESA-N 0 3 309.409 4.076 20 30 DIEDHN CCCC[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1[O-] ZINC000802657846 1046029044 /nfs/dbraw/zinc/02/90/44/1046029044.db2.gz WFOVFSAXOGBCDQ-UHFFFAOYSA-N 0 3 300.427 4.128 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1[O-] ZINC000802657846 1046029054 /nfs/dbraw/zinc/02/90/54/1046029054.db2.gz WFOVFSAXOGBCDQ-UHFFFAOYSA-N 0 3 300.427 4.128 20 30 DIEDHN CCCC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1[O-] ZINC000802657739 1046030309 /nfs/dbraw/zinc/03/03/09/1046030309.db2.gz PPGMEQUZTIVFQJ-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1[O-] ZINC000802657739 1046030321 /nfs/dbraw/zinc/03/03/21/1046030321.db2.gz PPGMEQUZTIVFQJ-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN FC(F)(F)Sc1ccc(CN2CCC(S)CC2)cc1 ZINC001137955132 1046031536 /nfs/dbraw/zinc/03/15/36/1046031536.db2.gz IAPHDZBFJGNIRR-UHFFFAOYSA-N 0 3 307.406 4.193 20 30 DIEDHN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340054 1046045473 /nfs/dbraw/zinc/04/54/73/1046045473.db2.gz BPYKXLKVWOOANK-KUHUBIRLSA-N 0 3 323.415 4.319 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731668 1046053506 /nfs/dbraw/zinc/05/35/06/1046053506.db2.gz NTWPXGQBGIVVCV-VLIAUNLRSA-N 0 3 321.424 4.319 20 30 DIEDHN Cc1ccccc1C1(C(=O)C(C#N)c2nc(C(C)C)cs2)CC1 ZINC000080458492 1046054851 /nfs/dbraw/zinc/05/48/51/1046054851.db2.gz GFBFYBILLAYKRG-AWEZNQCLSA-N 0 3 324.449 4.483 20 30 DIEDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000902779019 1046067948 /nfs/dbraw/zinc/06/79/48/1046067948.db2.gz KBXYCJZLOSGGRK-GOSISDBHSA-N 0 3 311.404 4.004 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807073 1046073357 /nfs/dbraw/zinc/07/33/57/1046073357.db2.gz VKGDDTFNTSAEBD-KXBFYZLASA-N 0 3 324.424 4.145 20 30 DIEDHN C=CCN(C)Cc1cnccc1-c1cccc(Br)c1 ZINC001138074752 1046082359 /nfs/dbraw/zinc/08/23/59/1046082359.db2.gz NWOHQEXDPIGAQM-UHFFFAOYSA-N 0 3 317.230 4.129 20 30 DIEDHN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000194697808 1046106469 /nfs/dbraw/zinc/10/64/69/1046106469.db2.gz RHOKZHZFWPVNSZ-LBPRGKRZSA-N 0 3 318.779 4.232 20 30 DIEDHN CC[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(C#N)c1 ZINC000902946221 1046123709 /nfs/dbraw/zinc/12/37/09/1046123709.db2.gz YOCOYIQBZWAVKK-SFHVURJKSA-N 0 3 323.440 4.371 20 30 DIEDHN CCSc1cc(CN[C@H](CC)c2cccc(C#N)c2)ccn1 ZINC000902964875 1046130522 /nfs/dbraw/zinc/13/05/22/1046130522.db2.gz ZVRFGBDJRKXHJM-QGZVFWFLSA-N 0 3 311.454 4.306 20 30 DIEDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(C#N)c1 ZINC000902968985 1046131973 /nfs/dbraw/zinc/13/19/73/1046131973.db2.gz ADQKITZVJCSLSX-KRWDZBQOSA-N 0 3 309.369 4.016 20 30 DIEDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(C#N)c1 ZINC000902968986 1046132247 /nfs/dbraw/zinc/13/22/47/1046132247.db2.gz ADQKITZVJCSLSX-QGZVFWFLSA-N 0 3 309.369 4.016 20 30 DIEDHN C=CCC[C@H](NCc1cnc(CCC)o1)[C@@]1(C)CCCCO1 ZINC000903012551 1046140984 /nfs/dbraw/zinc/14/09/84/1046140984.db2.gz QLIDZBJHRUSNHS-FUHWJXTLSA-N 0 3 306.450 4.011 20 30 DIEDHN C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2[O-] ZINC000756857453 1046146004 /nfs/dbraw/zinc/14/60/04/1046146004.db2.gz OMVBESSRJQMVML-BLLLJJGKSA-N 0 3 322.383 4.230 20 30 DIEDHN CC[C@H](N[C@H](c1ccccc1)[C@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054653 1046148726 /nfs/dbraw/zinc/14/87/26/1046148726.db2.gz NVEAYZCRRIZIKG-PWRODBHTSA-N 0 3 322.452 4.357 20 30 DIEDHN CC[C@H](N[C@@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054650 1046148761 /nfs/dbraw/zinc/14/87/61/1046148761.db2.gz NVEAYZCRRIZIKG-ACRUOGEOSA-N 0 3 322.452 4.357 20 30 DIEDHN CC[C@H](NCc1cc(COC)cs1)c1cccc(C#N)c1 ZINC000903051788 1046149150 /nfs/dbraw/zinc/14/91/50/1046149150.db2.gz XGLBXHXXIAQFKO-KRWDZBQOSA-N 0 3 300.427 4.007 20 30 DIEDHN CC[C@H](N[C@@H](c1ccccc1)[C@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054652 1046149212 /nfs/dbraw/zinc/14/92/12/1046149212.db2.gz NVEAYZCRRIZIKG-PCCBWWKXSA-N 0 3 322.452 4.357 20 30 DIEDHN C#CC[C@H](NCc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000756995570 1046157528 /nfs/dbraw/zinc/15/75/28/1046157528.db2.gz JEUOMKYDOHWKSF-KRWDZBQOSA-N 0 3 319.326 4.439 20 30 DIEDHN CC(=O)OCc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000903078516 1046157725 /nfs/dbraw/zinc/15/77/25/1046157725.db2.gz ICFXXWWFVXBLII-HUUCEWRRSA-N 0 3 322.408 4.033 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000756997043 1046158162 /nfs/dbraw/zinc/15/81/62/1046158162.db2.gz ULSWKGHWCSUNNB-GOSISDBHSA-N 0 3 315.363 4.185 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000756997186 1046158440 /nfs/dbraw/zinc/15/84/40/1046158440.db2.gz VVSBJECCJOBRSG-QGZVFWFLSA-N 0 3 319.326 4.439 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000756998656 1046159737 /nfs/dbraw/zinc/15/97/37/1046159737.db2.gz YDVMPRQTPUWFBH-QGZVFWFLSA-N 0 3 301.336 4.142 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OCC)c(OCC)c1)c1ccccc1 ZINC000756998406 1046159818 /nfs/dbraw/zinc/15/98/18/1046159818.db2.gz UNIGVHHKKOMKDY-LJQANCHMSA-N 0 3 323.436 4.338 20 30 DIEDHN C=CCC[C@H](NCc1cc(C)nn1C)c1cccc(Cl)c1 ZINC000903164853 1046183077 /nfs/dbraw/zinc/18/30/77/1046183077.db2.gz IZVXAXWYNJHLAL-KRWDZBQOSA-N 0 3 303.837 4.179 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCO2 ZINC000903238814 1046205773 /nfs/dbraw/zinc/20/57/73/1046205773.db2.gz YECXOJXIWRZPQW-OLZOCXBDSA-N 0 3 310.372 4.044 20 30 DIEDHN CC(C)[C@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000245556827 1046244357 /nfs/dbraw/zinc/24/43/57/1046244357.db2.gz SEIOYMWAWBBEDY-RBSFLKMASA-N 0 3 310.397 4.466 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)Cc2cccc(Cl)c2)c1[O-] ZINC001138629023 1046246795 /nfs/dbraw/zinc/24/67/95/1046246795.db2.gz LKEBNQGWXOYJDJ-UHFFFAOYSA-N 0 3 301.817 4.406 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccc(Cl)c2)c1[O-] ZINC001138629023 1046246807 /nfs/dbraw/zinc/24/68/07/1046246807.db2.gz LKEBNQGWXOYJDJ-UHFFFAOYSA-N 0 3 301.817 4.406 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c1[O-] ZINC001138628404 1046247272 /nfs/dbraw/zinc/24/72/72/1046247272.db2.gz UHDOZFFWQSWZAV-IBGZPJMESA-N 0 3 323.436 4.082 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c1[O-] ZINC001138628404 1046247282 /nfs/dbraw/zinc/24/72/82/1046247282.db2.gz UHDOZFFWQSWZAV-IBGZPJMESA-N 0 3 323.436 4.082 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC001138627612 1046248102 /nfs/dbraw/zinc/24/81/02/1046248102.db2.gz BYMLSLUDXVXBFA-KRWDZBQOSA-N 0 3 311.400 4.249 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC001138627612 1046248107 /nfs/dbraw/zinc/24/81/07/1046248107.db2.gz BYMLSLUDXVXBFA-KRWDZBQOSA-N 0 3 311.400 4.249 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1ccccn1)C1CC1 ZINC000903336046 1046248544 /nfs/dbraw/zinc/24/85/44/1046248544.db2.gz VGSJVPFLDHGPIL-QUCCMNQESA-N 0 3 303.409 4.072 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC(OC(C)C)CC1 ZINC001138664110 1046260574 /nfs/dbraw/zinc/26/05/74/1046260574.db2.gz IYRYSMQXYACJFJ-UHFFFAOYSA-N 0 3 303.446 4.031 20 30 DIEDHN CC[C@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406702 1046267050 /nfs/dbraw/zinc/26/70/50/1046267050.db2.gz YGHHFJSPUZMLDV-QRWLVFNGSA-N 0 3 322.456 4.357 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406701 1046268191 /nfs/dbraw/zinc/26/81/91/1046268191.db2.gz YGHHFJSPUZMLDV-MGPUTAFESA-N 0 3 322.456 4.357 20 30 DIEDHN C#CCCCCN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000758474594 1046273458 /nfs/dbraw/zinc/27/34/58/1046273458.db2.gz SVPQNXNLOZGVOI-FQEVSTJZSA-N 0 3 320.436 4.068 20 30 DIEDHN CN(Cc1c[nH]c2c1cccc2Cl)Cc1cccc(C#N)c1 ZINC001138836762 1046308425 /nfs/dbraw/zinc/30/84/25/1046308425.db2.gz PUILGGYZUBOPBT-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(C#N)s2)cc1C ZINC001202875555 1046320683 /nfs/dbraw/zinc/32/06/83/1046320683.db2.gz NLDQJQDWNNCLRB-UHFFFAOYSA-N 0 3 300.427 4.007 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC(=O)CC)cc1 ZINC001138965682 1046343241 /nfs/dbraw/zinc/34/32/41/1046343241.db2.gz ZVTVGXWYQFBSMM-UHFFFAOYSA-N 0 3 309.409 4.190 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000748270736 1046362236 /nfs/dbraw/zinc/36/22/36/1046362236.db2.gz WWQYFPZIAPDCHM-XLIONFOSSA-N 0 3 324.399 4.284 20 30 DIEDHN C=CCOc1ccccc1CN1CCCC2(CC(F)C2)CC1 ZINC001139030019 1046363908 /nfs/dbraw/zinc/36/39/08/1046363908.db2.gz CEZSLPOQEHMZLK-UHFFFAOYSA-N 0 3 303.421 4.356 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1OCC ZINC000052659680 1046383521 /nfs/dbraw/zinc/38/35/21/1046383521.db2.gz IRVDTACECQQWRO-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN CCn1ccc2ccc(CN(C)Cc3ccc(C#N)cc3)cc21 ZINC001139121224 1046388249 /nfs/dbraw/zinc/38/82/49/1046388249.db2.gz BIJCVRWJZXZQRY-UHFFFAOYSA-N 0 3 303.409 4.165 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745241 1046401739 /nfs/dbraw/zinc/40/17/39/1046401739.db2.gz HTKYZFLCZFZTJH-BMIGLBTASA-N 0 3 315.417 4.191 20 30 DIEDHN C=CCN(CC=C)Cc1cn(C)c2ccc(Br)cc12 ZINC001139218997 1046414752 /nfs/dbraw/zinc/41/47/52/1046414752.db2.gz NZTFLBNXGXANCA-UHFFFAOYSA-N 0 3 319.246 4.115 20 30 DIEDHN C=CCN(CC=C)Cc1c[nH]c2cc(Br)ccc12 ZINC001142401914 1046417461 /nfs/dbraw/zinc/41/74/61/1046417461.db2.gz MCNKUJWKJCFIRK-UHFFFAOYSA-N 0 3 305.219 4.104 20 30 DIEDHN COc1ccc(-c2ccc(CN3CCC(C#N)CC3)s2)cc1 ZINC001139284400 1046426520 /nfs/dbraw/zinc/42/65/20/1046426520.db2.gz PKHWXMKHSRFLPC-UHFFFAOYSA-N 0 3 312.438 4.159 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000749129400 1046432050 /nfs/dbraw/zinc/43/20/50/1046432050.db2.gz QZLJJALFHHRXQC-YJBOKZPZSA-N 0 3 324.424 4.227 20 30 DIEDHN CN(Cc1cccs1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406926 1046445584 /nfs/dbraw/zinc/44/55/84/1046445584.db2.gz JRGSPSPKHYAGEY-UHFFFAOYSA-N 0 3 319.433 4.314 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC001139425908 1046448849 /nfs/dbraw/zinc/44/88/49/1046448849.db2.gz XYJIRWUVJHJFJT-HOTGVXAUSA-N 0 3 321.424 4.366 20 30 DIEDHN CC1(C)CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139425440 1046449239 /nfs/dbraw/zinc/44/92/39/1046449239.db2.gz OPMQZCSWFPFJMK-UHFFFAOYSA-N 0 3 321.424 4.368 20 30 DIEDHN C=CCN(Cc1c2ccccc2[nH]c1C(=O)OCC)C(C)(C)C ZINC001139464679 1046452099 /nfs/dbraw/zinc/45/20/99/1046452099.db2.gz AURZVBKKEDWGMO-UHFFFAOYSA-N 0 3 314.429 4.131 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccc2)nc1 ZINC001139519736 1046461330 /nfs/dbraw/zinc/46/13/30/1046461330.db2.gz WSIJPYKSFSSXOR-LUPIEILUSA-N 0 3 303.409 4.015 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895541 1046484943 /nfs/dbraw/zinc/48/49/43/1046484943.db2.gz BTKZBELZZAETRA-AUUYWEPGSA-N 0 3 309.413 4.008 20 30 DIEDHN N#Cc1cccc2c(CN3CCCC[C@H]3c3cccnc3)c[nH]c21 ZINC001139702791 1046501976 /nfs/dbraw/zinc/50/19/76/1046501976.db2.gz AERGPQJZBIHHNM-IBGZPJMESA-N 0 3 316.408 4.162 20 30 DIEDHN C[C@@H]1CN(Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139701389 1046502167 /nfs/dbraw/zinc/50/21/67/1046502167.db2.gz GVKUJNGGDJOBNW-CQSZACIVSA-N 0 3 301.393 4.159 20 30 DIEDHN Cc1ccc(CN2CCC[C@@H](OCc3ccccc3)C2)cc1C#N ZINC001139726001 1046507053 /nfs/dbraw/zinc/50/70/53/1046507053.db2.gz MHBAICHLODOCFM-OAQYLSRUSA-N 0 3 320.436 4.048 20 30 DIEDHN Cc1ccc(CN2CCC(COc3ccccc3)CC2)cc1C#N ZINC001139723555 1046507350 /nfs/dbraw/zinc/50/73/50/1046507350.db2.gz ALMOYMBEUZHNII-UHFFFAOYSA-N 0 3 320.436 4.158 20 30 DIEDHN C=CCn1cc(CN2CCC(c3cccc(Cl)c3)CC2)cn1 ZINC001139767955 1046514469 /nfs/dbraw/zinc/51/44/69/1046514469.db2.gz FVKVOHQBFGBWIA-UHFFFAOYSA-N 0 3 315.848 4.102 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1CN1CCC[C@H](CC#N)C1 ZINC001139822573 1046525666 /nfs/dbraw/zinc/52/56/66/1046525666.db2.gz GMADGYBNYPZSHH-OAHLLOKOSA-N 0 3 311.454 4.244 20 30 DIEDHN CC1(c2ccccc2)CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC001139878813 1046539120 /nfs/dbraw/zinc/53/91/20/1046539120.db2.gz XPKOMMZMABRNOU-UHFFFAOYSA-N 0 3 308.400 4.251 20 30 DIEDHN N#Cc1cc(F)cc(CN2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001139877807 1046540185 /nfs/dbraw/zinc/54/01/85/1046540185.db2.gz UGPOZSPWVLZKIU-UHFFFAOYSA-N 0 3 318.395 4.258 20 30 DIEDHN CCN(Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(F)c1 ZINC001140116359 1046595101 /nfs/dbraw/zinc/59/51/01/1046595101.db2.gz WAAVZWQWZRJOBX-UHFFFAOYSA-N 0 3 307.372 4.201 20 30 DIEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc43)CC2)c(F)c1 ZINC001140136169 1046597656 /nfs/dbraw/zinc/59/76/56/1046597656.db2.gz MRTLOSLYKLXPCM-UHFFFAOYSA-N 0 3 320.411 4.177 20 30 DIEDHN C#CC1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001140297357 1046644758 /nfs/dbraw/zinc/64/47/58/1046644758.db2.gz ZKUGJYITZZTPRZ-UHFFFAOYSA-N 0 3 316.857 4.309 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1 ZINC000245781719 1046651197 /nfs/dbraw/zinc/65/11/97/1046651197.db2.gz UMFWOLPLTBNMQU-JXFKEZNVSA-N 0 3 323.440 4.043 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000834814388 1046674737 /nfs/dbraw/zinc/67/47/37/1046674737.db2.gz JSFQGRWTHCWCJC-LSDHHAIUSA-N 0 3 324.380 4.019 20 30 DIEDHN CN(Cc1c[nH]c2cccc(Cl)c12)Cc1cccc(C#N)c1 ZINC001140446307 1046726641 /nfs/dbraw/zinc/72/66/41/1046726641.db2.gz GSPYEXYOFPITCR-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000796800402 1046733952 /nfs/dbraw/zinc/73/39/52/1046733952.db2.gz UDSJVHKVZXUMLR-RHSMWYFYSA-N 0 3 322.408 4.313 20 30 DIEDHN COc1cc(F)cc(CN2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001140483673 1046742340 /nfs/dbraw/zinc/74/23/40/1046742340.db2.gz XVUBLPZZXLJULO-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN C=CCC[C@H](NC[C@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972791 1046764952 /nfs/dbraw/zinc/76/49/52/1046764952.db2.gz RIWDXGLLWNPSBZ-HOTGVXAUSA-N 0 3 323.795 4.403 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC=C)cc2)cc1 ZINC000797005517 1046770614 /nfs/dbraw/zinc/77/06/14/1046770614.db2.gz BZXOECZDQLRFMG-QGZVFWFLSA-N 0 3 321.420 4.114 20 30 DIEDHN C=CCCSCCNCc1nc2ccccc2n1C(C)C ZINC001203054774 1046829907 /nfs/dbraw/zinc/82/99/07/1046829907.db2.gz CSLDUGQETYHBDL-UHFFFAOYSA-N 0 3 303.475 4.016 20 30 DIEDHN C[C@@H](NCc1ccc2occc2c1)c1ccc(OCC#N)cc1 ZINC000796289206 1046840938 /nfs/dbraw/zinc/84/09/38/1046840938.db2.gz KNCXXOQZEILRLC-CQSZACIVSA-N 0 3 306.365 4.186 20 30 DIEDHN C[C@H](NCc1ccc2occc2c1)c1ccc(OCC#N)cc1 ZINC000796289193 1046841551 /nfs/dbraw/zinc/84/15/51/1046841551.db2.gz KNCXXOQZEILRLC-AWEZNQCLSA-N 0 3 306.365 4.186 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754362 1046888232 /nfs/dbraw/zinc/88/82/32/1046888232.db2.gz XCHOJQBMHNADQC-UHFFFAOYSA-N 0 3 312.363 4.415 20 30 DIEDHN CC(C)(C)SCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000179224976 1046892395 /nfs/dbraw/zinc/89/23/95/1046892395.db2.gz KXPRDGIFOVFHKW-GFCCVEGCSA-N 0 3 316.426 4.316 20 30 DIEDHN N#CCCN(Cc1cnc2cc[nH]cc1-2)C1CCCCCCC1 ZINC001140803504 1046907962 /nfs/dbraw/zinc/90/79/62/1046907962.db2.gz QWYQNQLFWCXXPR-UHFFFAOYSA-N 0 3 310.445 4.391 20 30 DIEDHN N#CCCN(Cc1c[nH]c2ccncc12)C1CCCCCCC1 ZINC001140803504 1046907966 /nfs/dbraw/zinc/90/79/66/1046907966.db2.gz QWYQNQLFWCXXPR-UHFFFAOYSA-N 0 3 310.445 4.391 20 30 DIEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)c1Cl ZINC001140809965 1046910148 /nfs/dbraw/zinc/91/01/48/1046910148.db2.gz OPTBNHLIACRDSX-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccccc3)C2)c1Cl ZINC001140810974 1046910521 /nfs/dbraw/zinc/91/05/21/1046910521.db2.gz JFYZQFQHVXWKGK-INIZCTEOSA-N 0 3 310.828 4.276 20 30 DIEDHN C=C(Br)CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000798928740 1046987595 /nfs/dbraw/zinc/98/75/95/1046987595.db2.gz DDBVRFICXKOLMU-SNVBAGLBSA-N 0 3 322.168 4.135 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720135 1047055455 /nfs/dbraw/zinc/05/54/55/1047055455.db2.gz BNZQGKOFKNHVLC-PMACEKPBSA-N 0 3 305.421 4.427 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000680870606 1047058727 /nfs/dbraw/zinc/05/87/27/1047058727.db2.gz VLZJFDRLONQNNI-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN C[C@@]1(CN(Cc2ccc(C#N)cc2)C2CC2)CC1(Cl)Cl ZINC000827520597 1047107618 /nfs/dbraw/zinc/10/76/18/1047107618.db2.gz GZAHCEHVBCJPTP-HNNXBMFYSA-N 0 3 309.240 4.107 20 30 DIEDHN C=CCN(Cc1cc(F)cc2c1OCOC2)C1CCCCC1 ZINC001141401024 1047119933 /nfs/dbraw/zinc/11/99/33/1047119933.db2.gz DGMPVYNOGFKYII-UHFFFAOYSA-N 0 3 305.393 4.013 20 30 DIEDHN CCCCCCCN(CC)Cc1ccc(C(F)(F)F)nn1 ZINC001141492819 1047149326 /nfs/dbraw/zinc/14/93/26/1047149326.db2.gz ILRAWNVEGYHWGA-UHFFFAOYSA-N 0 3 303.372 4.288 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC001116554017 1047156551 /nfs/dbraw/zinc/15/65/51/1047156551.db2.gz CHASQOUBGGGEHZ-OAQYLSRUSA-N 0 3 323.436 4.043 20 30 DIEDHN CC(C)c1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000838791778 1047158443 /nfs/dbraw/zinc/15/84/43/1047158443.db2.gz YKUGOOOSHFDWFL-INIZCTEOSA-N 0 3 318.376 4.370 20 30 DIEDHN C[C@@]12CCN(CCC3(C#N)CCCCC3)C[C@@H]1C2(Cl)Cl ZINC000839595292 1047250351 /nfs/dbraw/zinc/25/03/51/1047250351.db2.gz FPLISEFWGHLMPI-UONOGXRCSA-N 0 3 315.288 4.366 20 30 DIEDHN N#Cc1ccc(CNCCSc2ccc(Cl)cc2)c(F)c1 ZINC000532990022 1047334065 /nfs/dbraw/zinc/33/40/65/1047334065.db2.gz MYNGDJASAWSELD-UHFFFAOYSA-N 0 3 320.820 4.233 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2cnccc2C(C)(C)C)cc1 ZINC000840856883 1047346104 /nfs/dbraw/zinc/34/61/04/1047346104.db2.gz VVABUQXVZFQRBB-INIZCTEOSA-N 0 3 322.452 4.242 20 30 DIEDHN CCCCCCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC001168317171 1047425963 /nfs/dbraw/zinc/42/59/63/1047425963.db2.gz KMEJZSFYUVXJOW-UHFFFAOYSA-N 0 3 305.388 4.231 20 30 DIEDHN CC[C@H](C)Oc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000749701636 1047431387 /nfs/dbraw/zinc/43/13/87/1047431387.db2.gz SFMZCMAMTWQZEQ-HNNXBMFYSA-N 0 3 324.424 4.034 20 30 DIEDHN N#Cc1cc(CN[C@@H](Cc2ccccc2)c2cccs2)ccn1 ZINC000612480856 1047431500 /nfs/dbraw/zinc/43/15/00/1047431500.db2.gz FBDRZYZHLMDUIG-SFHVURJKSA-N 0 3 319.433 4.088 20 30 DIEDHN N#CCCCCN1CCC[C@@H]1c1ccccc1Br ZINC000088559230 1047463253 /nfs/dbraw/zinc/46/32/53/1047463253.db2.gz CZOIFRWZGWGDFX-OAHLLOKOSA-N 0 3 307.235 4.280 20 30 DIEDHN Cc1ccc(CN(C)Cc2cccc(OCCCC#N)c2)s1 ZINC000093049305 1047542708 /nfs/dbraw/zinc/54/27/08/1047542708.db2.gz IEZFQZLTJSRMDD-UHFFFAOYSA-N 0 3 314.454 4.371 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001204375427 1047568992 /nfs/dbraw/zinc/56/89/92/1047568992.db2.gz SBBUHOIMUWWLQD-MRXNPFEDSA-N 0 3 323.436 4.207 20 30 DIEDHN C=CCOc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000537691125 1047575614 /nfs/dbraw/zinc/57/56/14/1047575614.db2.gz IOPRZNGHPKLTCR-UHFFFAOYSA-N 0 3 313.363 4.416 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1C ZINC000926903387 1047579101 /nfs/dbraw/zinc/57/91/01/1047579101.db2.gz UMLHHEFCDBRZIL-IFXJQAMLSA-N 0 3 306.409 4.213 20 30 DIEDHN C=CCOc1cccc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000538813062 1047714578 /nfs/dbraw/zinc/71/45/78/1047714578.db2.gz ZHXXKUFPYXSRFM-UHFFFAOYSA-N 0 3 313.363 4.416 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](CC(C)C)c1ccccc1 ZINC000539244597 1047744473 /nfs/dbraw/zinc/74/44/73/1047744473.db2.gz ZGPXGDMQJXJULS-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000539357910 1047748504 /nfs/dbraw/zinc/74/85/04/1047748504.db2.gz QFYRXKUIXSGYNU-IBGZPJMESA-N 0 3 322.452 4.485 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001182844663 1047847752 /nfs/dbraw/zinc/84/77/52/1047847752.db2.gz NUQQNVODBKZCTH-WFASDCNBSA-N 0 3 309.837 4.279 20 30 DIEDHN N#Cc1ccccc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC001204368130 1047894074 /nfs/dbraw/zinc/89/40/74/1047894074.db2.gz KFLLRJPQESUPQQ-UHFFFAOYSA-N 0 3 300.405 4.119 20 30 DIEDHN CC[C@H](NCc1cncc(C#N)c1)c1cccc2ccccc21 ZINC001197864231 1047898567 /nfs/dbraw/zinc/89/85/67/1047898567.db2.gz LQGNALSWBHQJIH-FQEVSTJZSA-N 0 3 301.393 4.347 20 30 DIEDHN CC1(C)C[C@H](c2ccccc2)CN1Cc1ccc(F)cc1C#N ZINC001198281017 1047942057 /nfs/dbraw/zinc/94/20/57/1047942057.db2.gz ZXVGANRLPAUUGV-SFHVURJKSA-N 0 3 308.400 4.465 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc(OC)ccc1Br ZINC001198414256 1047954243 /nfs/dbraw/zinc/95/42/43/1047954243.db2.gz JOKMRSJSDKKFTC-AWEZNQCLSA-N 0 3 324.262 4.388 20 30 DIEDHN C#C[C@H]1CCCCN1Cc1ccc(OCc2ccccc2F)cc1 ZINC001198525505 1047968927 /nfs/dbraw/zinc/96/89/27/1047968927.db2.gz NCSHNLFFVBWTGJ-IBGZPJMESA-N 0 3 323.411 4.392 20 30 DIEDHN CC[C@H](NCc1ccc(OC)c(OC)c1C)c1ccc(C#N)cc1 ZINC000927124930 1048005841 /nfs/dbraw/zinc/00/58/41/1048005841.db2.gz ONHSCOBPUQGDOT-SFHVURJKSA-N 0 3 324.424 4.125 20 30 DIEDHN CCCCCCC[C@H](C)N[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326326 1048030435 /nfs/dbraw/zinc/03/04/35/1048030435.db2.gz CYZPJDIYAZYICL-XJKSGUPXSA-N 0 3 310.869 4.205 20 30 DIEDHN C#CCN(Cc1cc(-c2ccncc2)ccc1OC)C1CCCC1 ZINC000775929874 1048031549 /nfs/dbraw/zinc/03/15/49/1048031549.db2.gz OHPIAJBDKGPYGA-UHFFFAOYSA-N 0 3 320.436 4.135 20 30 DIEDHN CCCCCCC[C@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000775972863 1048069702 /nfs/dbraw/zinc/06/97/02/1048069702.db2.gz YUAGSJYVRFHMSC-DOTOQJQBSA-N 0 3 300.450 4.233 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1OC ZINC000480501395 1048159404 /nfs/dbraw/zinc/15/94/04/1048159404.db2.gz SNHGRJRQPLXBLJ-UHFFFAOYSA-N 0 3 323.436 4.427 20 30 DIEDHN N#C[C@@H](Nc1ccc(F)c(CN2CCCC2)c1)c1ccccc1 ZINC001161724527 1048162281 /nfs/dbraw/zinc/16/22/81/1048162281.db2.gz ALUNFLULMKPIQB-LJQANCHMSA-N 0 3 309.388 4.098 20 30 DIEDHN N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC001201475121 1048294952 /nfs/dbraw/zinc/29/49/52/1048294952.db2.gz SKSKNLZLHRXHQX-MSOLQXFVSA-N 0 3 321.449 4.352 20 30 DIEDHN C=CCC[C@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC001201558698 1048317413 /nfs/dbraw/zinc/31/74/13/1048317413.db2.gz UPMZXZOCRAWJTL-FQEVSTJZSA-N 0 3 309.457 4.480 20 30 DIEDHN Cc1cc(C#N)cc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506926 1048346078 /nfs/dbraw/zinc/34/60/78/1048346078.db2.gz JVHLTHBNLKLSAS-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN C#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1F ZINC001175507272 1048346776 /nfs/dbraw/zinc/34/67/76/1048346776.db2.gz OJGSTIYMYYGSGI-UHFFFAOYSA-N 0 3 306.384 4.009 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3[nH]ccc3c2)C2CC2)cc1 ZINC000600112612 1048363846 /nfs/dbraw/zinc/36/38/46/1048363846.db2.gz SHOPBMYPTCZAJR-UHFFFAOYSA-N 0 3 301.393 4.204 20 30 DIEDHN CCCCCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001201847635 1048390335 /nfs/dbraw/zinc/39/03/35/1048390335.db2.gz XSTAWDLHRZOHAN-UHFFFAOYSA-N 0 3 301.446 4.104 20 30 DIEDHN Cc1ccc(C#N)c(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001163546172 1048486237 /nfs/dbraw/zinc/48/62/37/1048486237.db2.gz YFXAHYOZWYBSGN-GOSISDBHSA-N 0 3 323.465 4.018 20 30 DIEDHN N#Cc1c[nH]c2cc(NC(=N)C34CC5CC(CC(C5)C3)C4)cnc12 ZINC001163848193 1048538407 /nfs/dbraw/zinc/53/84/07/1048538407.db2.gz KYWXYOXSTYIMGR-UHFFFAOYSA-N 0 3 319.412 4.040 20 30 DIEDHN Cc1ccc2ncc(CN[C@@H](C)c3cccc(C#N)c3)cc2c1 ZINC001176051475 1048554901 /nfs/dbraw/zinc/55/49/01/1048554901.db2.gz FLRQZFDQLOZXLF-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN COc1ccc(CN(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000159856254 1048602070 /nfs/dbraw/zinc/60/20/70/1048602070.db2.gz ZNJVCEWJRVKWBJ-UHFFFAOYSA-N 0 3 324.424 4.010 20 30 DIEDHN C=CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000850137620 1048617997 /nfs/dbraw/zinc/61/79/97/1048617997.db2.gz QXQKLOCGWGBUSS-IBGZPJMESA-N 0 3 303.409 4.044 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1C ZINC000160094740 1048634567 /nfs/dbraw/zinc/63/45/67/1048634567.db2.gz BPUKSQZYJSZLRG-CYBMUJFWSA-N 0 3 313.426 4.129 20 30 DIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000160154407 1048641671 /nfs/dbraw/zinc/64/16/71/1048641671.db2.gz KDBFPDFVZJCBRM-AWEZNQCLSA-N 0 3 313.426 4.129 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435262 1048656463 /nfs/dbraw/zinc/65/64/63/1048656463.db2.gz KQBDRORIPCPFBO-HNAYVOBHSA-N 0 3 308.425 4.375 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447793 1048660153 /nfs/dbraw/zinc/66/01/53/1048660153.db2.gz JTZJPWNEFHJGSO-UZLBHIALSA-N 0 3 305.421 4.427 20 30 DIEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 ZINC000850463573 1048666132 /nfs/dbraw/zinc/66/61/32/1048666132.db2.gz WCMAREXGZOXEEV-NRFANRHFSA-N 0 3 319.452 4.319 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850524765 1048679324 /nfs/dbraw/zinc/67/93/24/1048679324.db2.gz DGEOOMAHIYUJSD-PCCBWWKXSA-N 0 3 318.420 4.094 20 30 DIEDHN C#CCN(Cc1ccc(OC)cc1)[C@H]1CCCc2ccccc21 ZINC001176451857 1048687870 /nfs/dbraw/zinc/68/78/70/1048687870.db2.gz GHOKDGALJHQRMN-NRFANRHFSA-N 0 3 305.421 4.208 20 30 DIEDHN C#CCN(CCOCc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001176453705 1048687890 /nfs/dbraw/zinc/68/78/90/1048687890.db2.gz XNTNQTIFXPLNGG-QFIPXVFZSA-N 0 3 319.448 4.216 20 30 DIEDHN C#CCN(Cc1ccc(C)c(C#N)c1)[C@H]1CCCc2ccccc21 ZINC001176453700 1048688309 /nfs/dbraw/zinc/68/83/09/1048688309.db2.gz XMVOTDQFLHWJJE-QFIPXVFZSA-N 0 3 314.432 4.380 20 30 DIEDHN C[C@H]1C[C@H](NCC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549595 1048688813 /nfs/dbraw/zinc/68/88/13/1048688813.db2.gz HMLUIKUTTUKCCH-JSGCOSHPSA-N 0 3 302.393 4.143 20 30 DIEDHN N#CC(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1nc2ccccc2[nH]1 ZINC000850738642 1048702609 /nfs/dbraw/zinc/70/26/09/1048702609.db2.gz OKUXYCPXOWZVEZ-JYJNAYRXSA-N 0 3 321.424 4.346 20 30 DIEDHN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)c1ccc2ccccc2n1 ZINC000850741235 1048705793 /nfs/dbraw/zinc/70/57/93/1048705793.db2.gz HNJBUDRTKOYEFG-HOTGVXAUSA-N 0 3 304.393 4.381 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850761668 1048707651 /nfs/dbraw/zinc/70/76/51/1048707651.db2.gz QBJLOEZXFDXYKZ-SUMWQHHRSA-N 0 3 324.424 4.038 20 30 DIEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128771667 1048719638 /nfs/dbraw/zinc/71/96/38/1048719638.db2.gz SQVCJAJGTOJDTC-KRWDZBQOSA-N 0 3 322.408 4.458 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(N(C)C)c(C)c1 ZINC001190458137 1048741500 /nfs/dbraw/zinc/74/15/00/1048741500.db2.gz XNRWHBYNMNTXJU-UHFFFAOYSA-N 0 3 324.468 4.258 20 30 DIEDHN CC[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190503790 1048746525 /nfs/dbraw/zinc/74/65/25/1048746525.db2.gz XWWKXTYEMAZCRE-OAHLLOKOSA-N 0 3 311.347 4.201 20 30 DIEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc2ccccc2c1 ZINC000483186878 1048755179 /nfs/dbraw/zinc/75/51/79/1048755179.db2.gz WWQYHUGXCFGZOY-UHFFFAOYSA-N 0 3 303.409 4.072 20 30 DIEDHN CCCN(Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC001190606180 1048768001 /nfs/dbraw/zinc/76/80/01/1048768001.db2.gz SDJMKPUQXNYTAK-UHFFFAOYSA-N 0 3 300.352 4.249 20 30 DIEDHN C=CCCCN(CC)Cc1cc(Br)ccc1F ZINC001190752898 1048783598 /nfs/dbraw/zinc/78/35/98/1048783598.db2.gz OXYRCUGNIGTSEV-UHFFFAOYSA-N 0 3 300.215 4.376 20 30 DIEDHN C=C(Cl)CN[C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775412836 1048786901 /nfs/dbraw/zinc/78/69/01/1048786901.db2.gz XXZLZBOMPNAIEE-HNNXBMFYSA-N 0 3 322.880 4.084 20 30 DIEDHN CCCCCCCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000851645684 1048791902 /nfs/dbraw/zinc/79/19/02/1048791902.db2.gz MRTWBKLONXXLFD-SFHVURJKSA-N 0 3 318.461 4.037 20 30 DIEDHN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902954127 1048805884 /nfs/dbraw/zinc/80/58/84/1048805884.db2.gz QTORAENEGIRVSP-AVYPCKFXSA-N 0 3 305.425 4.318 20 30 DIEDHN C=CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC1CCCCC1 ZINC001190984676 1048810678 /nfs/dbraw/zinc/81/06/78/1048810678.db2.gz KWOMMLZXYNSOPI-MJGOQNOKSA-N 0 3 320.521 4.092 20 30 DIEDHN C=CCN(CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC1CCCCC1 ZINC001190984675 1048811912 /nfs/dbraw/zinc/81/19/12/1048811912.db2.gz KWOMMLZXYNSOPI-IEBWSBKVSA-N 0 3 320.521 4.092 20 30 DIEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000483519603 1048813215 /nfs/dbraw/zinc/81/32/15/1048813215.db2.gz QSDVNLIUWZPLKQ-CYBMUJFWSA-N 0 3 300.352 4.420 20 30 DIEDHN CN(Cc1ccc(C#N)c(F)c1)Cc1cccc2ccccc21 ZINC000483521279 1048815106 /nfs/dbraw/zinc/81/51/06/1048815106.db2.gz VUPKTZZYBGYTCI-UHFFFAOYSA-N 0 3 304.368 4.483 20 30 DIEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cc(C#N)ccc2Br)C1 ZINC001191068782 1048836021 /nfs/dbraw/zinc/83/60/21/1048836021.db2.gz FJYCZNKFDJITAZ-CHWSQXEVSA-N 0 3 321.262 4.331 20 30 DIEDHN C[C@@H]1CCC[C@H](C)N(Cc2cc(C#N)ccc2Br)C1 ZINC001191068784 1048837514 /nfs/dbraw/zinc/83/75/14/1048837514.db2.gz FJYCZNKFDJITAZ-OLZOCXBDSA-N 0 3 321.262 4.331 20 30 DIEDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCCO3)ccc1C#N ZINC000852780148 1048862121 /nfs/dbraw/zinc/86/21/21/1048862121.db2.gz HMWUJCNQUKQFDZ-OAHLLOKOSA-N 0 3 306.409 4.043 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC#Cc1ccccc1 ZINC000484099797 1048898404 /nfs/dbraw/zinc/89/84/04/1048898404.db2.gz ZYGAOZPJISGMJZ-DNVCBOLYSA-N 0 3 313.828 4.057 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cccc(OC)c1OC ZINC001203449766 1048903544 /nfs/dbraw/zinc/90/35/44/1048903544.db2.gz TVJSELGYWCGIDI-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN CCCCCCCN(C)Cc1cc(OC)c(OC)cc1OC ZINC001203495460 1048911596 /nfs/dbraw/zinc/91/15/96/1048911596.db2.gz RQLUPXLAHVOSGQ-UHFFFAOYSA-N 0 3 309.450 4.115 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC001203527133 1048922171 /nfs/dbraw/zinc/92/21/71/1048922171.db2.gz IVEMEBAHVHZTSD-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN Fc1ccc(C#CCN(C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646909 1048976838 /nfs/dbraw/zinc/97/68/38/1048976838.db2.gz WLSLZMWUALGCOS-OAQYLSRUSA-N 0 3 305.396 4.329 20 30 DIEDHN N#Cc1cccc(CN2CCC(Sc3ccccc3)CC2)c1 ZINC001203764277 1048994286 /nfs/dbraw/zinc/99/42/86/1048994286.db2.gz JICWZVUUGSLDMG-UHFFFAOYSA-N 0 3 308.450 4.315 20 30 DIEDHN COc1ccc(CN2CCC(c3cccc(C#N)c3)CC2)cc1F ZINC001203792706 1048997105 /nfs/dbraw/zinc/99/71/05/1048997105.db2.gz AATKNOOPOWEFAO-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN COc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1F ZINC001203795712 1048999615 /nfs/dbraw/zinc/99/96/15/1048999615.db2.gz OXDIJVICJKEJBL-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001203906287 1049029061 /nfs/dbraw/zinc/02/90/61/1049029061.db2.gz MKWFMSMWXOQYSX-SFHVURJKSA-N 0 3 312.413 4.064 20 30 DIEDHN C#Cc1ccc(CNCc2cc(C)cc(Br)c2)cc1 ZINC001178759009 1049084901 /nfs/dbraw/zinc/08/49/01/1049084901.db2.gz QRUFAVDWKVYPFH-UHFFFAOYSA-N 0 3 314.226 4.029 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccccc2)cc1OC ZINC001178762265 1049085413 /nfs/dbraw/zinc/08/54/13/1049085413.db2.gz HOLBKLWXBDJRJQ-UXHICEINSA-N 0 3 323.436 4.185 20 30 DIEDHN CCCCCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001204316866 1049139709 /nfs/dbraw/zinc/13/97/09/1049139709.db2.gz WMDFWGNQVJIOLJ-KRWDZBQOSA-N 0 3 300.446 4.381 20 30 DIEDHN SC1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC001204332133 1049144481 /nfs/dbraw/zinc/14/44/81/1049144481.db2.gz YGWXYYYZBMXVER-UHFFFAOYSA-N 0 3 313.466 4.160 20 30 DIEDHN N#CCC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553210 1049146749 /nfs/dbraw/zinc/14/67/49/1049146749.db2.gz MOUQDCBJKWQJMA-MSOLQXFVSA-N 0 3 314.816 4.008 20 30 DIEDHN N#CCC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553214 1049147520 /nfs/dbraw/zinc/14/75/20/1049147520.db2.gz MOUQDCBJKWQJMA-ROUUACIJSA-N 0 3 314.816 4.008 20 30 DIEDHN N#Cc1ccccc1CN1CCC[C@@H](CCc2ccccc2)C1 ZINC001204374805 1049153621 /nfs/dbraw/zinc/15/36/21/1049153621.db2.gz HWTUIEVHSWORAX-IBGZPJMESA-N 0 3 304.437 4.403 20 30 DIEDHN COc1ccc(CNCc2ccc(F)c3ccccc23)cc1C#N ZINC001179447404 1049165252 /nfs/dbraw/zinc/16/52/52/1049165252.db2.gz FUYQZDLNFYAHEN-UHFFFAOYSA-N 0 3 320.367 4.149 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573926 1049226093 /nfs/dbraw/zinc/22/60/93/1049226093.db2.gz CLKFOAWYOGJNRA-WBAXXEDZSA-N 0 3 307.384 4.129 20 30 DIEDHN CCCC[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001193839463 1049263238 /nfs/dbraw/zinc/26/32/38/1049263238.db2.gz RTOICVGJPQMNAP-UHFFFAOYSA-N 0 3 308.425 4.109 20 30 DIEDHN CCCC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC001193839463 1049263251 /nfs/dbraw/zinc/26/32/51/1049263251.db2.gz RTOICVGJPQMNAP-UHFFFAOYSA-N 0 3 308.425 4.109 20 30 DIEDHN C#CCN(Cc1ccc(Oc2ccc(OC)cc2)cc1)CC1CC1 ZINC001180115993 1049290658 /nfs/dbraw/zinc/29/06/58/1049290658.db2.gz FLXBSANGAOFJAX-UHFFFAOYSA-N 0 3 321.420 4.333 20 30 DIEDHN C=CCN(Cc1ccc(C(=O)OCC)o1)CC1CCCCC1 ZINC001180292967 1049337605 /nfs/dbraw/zinc/33/76/05/1049337605.db2.gz SLIKBSWPPBEEHD-UHFFFAOYSA-N 0 3 305.418 4.025 20 30 DIEDHN C=CCN(CC=C)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180375308 1049347624 /nfs/dbraw/zinc/34/76/24/1049347624.db2.gz OUQIFLDGDJLWPU-MRXNPFEDSA-N 0 3 324.509 4.380 20 30 DIEDHN N#CC(C(=O)CC(C1CCC1)C1CCC1)c1nc2ccccc2[nH]1 ZINC000860449993 1049386795 /nfs/dbraw/zinc/38/67/95/1049386795.db2.gz KLSGKWLCHRPJPZ-INIZCTEOSA-N 0 3 321.424 4.346 20 30 DIEDHN COc1ccc2c(c1)C[C@@H](C)N(Cc1ccc(C#N)c(C)c1)[C@@H]2C ZINC001205353909 1049447555 /nfs/dbraw/zinc/44/75/55/1049447555.db2.gz PFZCBUCGFYPYJP-HZPDHXFCSA-N 0 3 320.436 4.383 20 30 DIEDHN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(C#N)cc1C ZINC000588216082 1049449027 /nfs/dbraw/zinc/44/90/27/1049449027.db2.gz LFVNHZPAOHYERV-IBGZPJMESA-N 0 3 308.425 4.458 20 30 DIEDHN C=CC[C@@H]1N(Cc2cc(OC)c(OC)cc2F)CCCC1(C)C ZINC001181296699 1049461418 /nfs/dbraw/zinc/46/14/18/1049461418.db2.gz CBSPJGDJYMIDSD-SFHVURJKSA-N 0 3 321.436 4.410 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCC2(CCC2)CC1 ZINC001181611604 1049497245 /nfs/dbraw/zinc/49/72/45/1049497245.db2.gz PMKFGLALZRTDJD-UHFFFAOYSA-N 0 3 303.833 4.118 20 30 DIEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC001195222244 1049499468 /nfs/dbraw/zinc/49/94/68/1049499468.db2.gz AURHPWFVGKAWKG-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN C#C[C@@H](NC[C@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020874 1049564946 /nfs/dbraw/zinc/56/49/46/1049564946.db2.gz OPATZHIQXCLNJO-KPZWWZAWSA-N 0 3 303.327 4.172 20 30 DIEDHN C=CCCCCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000488145932 1049605058 /nfs/dbraw/zinc/60/50/58/1049605058.db2.gz HFRIPBRIYAHELB-UHFFFAOYSA-N 0 3 302.462 4.310 20 30 DIEDHN C#CC[C@@H]1CCCN(Cc2sc(C)cc2Br)C1 ZINC001182542977 1049686135 /nfs/dbraw/zinc/68/61/35/1049686135.db2.gz ISYLADKLPFTRAP-GFCCVEGCSA-N 0 3 312.276 4.054 20 30 DIEDHN C=CCN(Cc1ccc(Br)cn1)C1CCCCC1 ZINC001206547721 1049753975 /nfs/dbraw/zinc/75/39/75/1049753975.db2.gz MMMVKSWPGOUGDP-UHFFFAOYSA-N 0 3 309.251 4.165 20 30 DIEDHN C=CC[C@H]1CCN(Cc2sc(C)cc2Br)C1 ZINC001206800436 1049801893 /nfs/dbraw/zinc/80/18/93/1049801893.db2.gz KPTSSMQMYDDHMH-NSHDSACASA-N 0 3 300.265 4.217 20 30 DIEDHN CN(CCOc1ccc2ccccc2c1)Cc1cccc(C#N)c1 ZINC000029241034 1049818421 /nfs/dbraw/zinc/81/84/21/1049818421.db2.gz XUSVAKUKTXJXOJ-UHFFFAOYSA-N 0 3 316.404 4.222 20 30 DIEDHN CN(Cc1cc(C#N)n(C)c1)C(c1ccccc1)c1ccccc1 ZINC001207101993 1049834031 /nfs/dbraw/zinc/83/40/31/1049834031.db2.gz RBJCHYWDPCKJIK-UHFFFAOYSA-N 0 3 315.420 4.118 20 30 DIEDHN Cc1cc(CNCC#Cc2ccccc2)c(C)n1-c1ccccc1 ZINC001207102262 1049835617 /nfs/dbraw/zinc/83/56/17/1049835617.db2.gz NJPKTYUEQILOMF-UHFFFAOYSA-N 0 3 314.432 4.235 20 30 DIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cccnc2)cc1 ZINC000151103540 1049837404 /nfs/dbraw/zinc/83/74/04/1049837404.db2.gz UCDBQECOVGKBFO-AWEZNQCLSA-N 0 3 302.805 4.064 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)cc1C)c1ccc(OC)c(OC)c1 ZINC000586776233 1049894763 /nfs/dbraw/zinc/89/47/63/1049894763.db2.gz VYORZQUJQKOHNF-GOSISDBHSA-N 0 3 324.424 4.125 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2c1cccc2O ZINC000571137908 1049923108 /nfs/dbraw/zinc/92/31/08/1049923108.db2.gz JKMFDLPQPDJRKW-VQTJNVASSA-N 0 3 318.420 4.308 20 30 DIEDHN CC[C@H](SC)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000156608053 1049933625 /nfs/dbraw/zinc/93/36/25/1049933625.db2.gz ZSCFTLVZDOVVCW-ONGXEEELSA-N 0 3 324.858 4.268 20 30 DIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000156607957 1049933658 /nfs/dbraw/zinc/93/36/58/1049933658.db2.gz ZSCFTLVZDOVVCW-MWLCHTKSSA-N 0 3 324.858 4.268 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2cc3ccccc3n2C)n1 ZINC000080456850 1049992926 /nfs/dbraw/zinc/99/29/26/1049992926.db2.gz FTEKQDCNPGOQJY-CYBMUJFWSA-N 0 3 323.421 4.248 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2c(F)cccc2F)cc1 ZINC001208928407 1050024193 /nfs/dbraw/zinc/02/41/93/1050024193.db2.gz BUFRPUIYZCOLTA-GOSISDBHSA-N 0 3 312.363 4.216 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000589300384 1050026119 /nfs/dbraw/zinc/02/61/19/1050026119.db2.gz SAUXNLVYVAMDSN-MOPGFXCFSA-N 0 3 324.468 4.021 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337120 1050027284 /nfs/dbraw/zinc/02/72/84/1050027284.db2.gz IDZBPIUOCQJCBE-JLTOFOAXSA-N 0 3 306.409 4.295 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337126 1050027518 /nfs/dbraw/zinc/02/75/18/1050027518.db2.gz IDZBPIUOCQJCBE-VBKZILBWSA-N 0 3 306.409 4.295 20 30 DIEDHN COC(=O)CCCCCCCCCN(CCC#N)C1CCCC1 ZINC001209094186 1050035510 /nfs/dbraw/zinc/03/55/10/1050035510.db2.gz JXGSNVNRVORRGM-UHFFFAOYSA-N 0 3 322.493 4.438 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC000589498023 1050037963 /nfs/dbraw/zinc/03/79/63/1050037963.db2.gz LURNLSYUELJXRY-AWEZNQCLSA-N 0 3 320.314 4.160 20 30 DIEDHN C=CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001209157008 1050040428 /nfs/dbraw/zinc/04/04/28/1050040428.db2.gz NHRUSFCDTROEOZ-QGZVFWFLSA-N 0 3 300.446 4.063 20 30 DIEDHN C=CCCCCCCCN1CCCn2cnc(COCC)c2C1 ZINC001209441942 1050060517 /nfs/dbraw/zinc/06/05/17/1050060517.db2.gz QOEQJRUXYXHCQW-UHFFFAOYSA-N 0 3 319.493 4.152 20 30 DIEDHN C=CCCCCCCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001209445036 1050060605 /nfs/dbraw/zinc/06/06/05/1050060605.db2.gz DIDLPXIBWVPLRM-UHFFFAOYSA-N 0 3 314.464 4.318 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2[nH]cc(Cl)c21 ZINC001209659354 1050074889 /nfs/dbraw/zinc/07/48/89/1050074889.db2.gz MUSDAIOASXHRQW-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244534 1050082544 /nfs/dbraw/zinc/08/25/44/1050082544.db2.gz AGMXKAFZVQDIFA-KUHUBIRLSA-N 0 3 322.408 4.147 20 30 DIEDHN N#CCCC[C@@H](N[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257851 1050083759 /nfs/dbraw/zinc/08/37/59/1050083759.db2.gz LPVKEWOOIUTQAN-MOPGFXCFSA-N 0 3 305.425 4.484 20 30 DIEDHN Cc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348838 1050141106 /nfs/dbraw/zinc/14/11/06/1050141106.db2.gz IPLOTMFWGIYBRN-MGPUTAFESA-N 0 3 305.425 4.298 20 30 DIEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045116 1050182526 /nfs/dbraw/zinc/18/25/26/1050182526.db2.gz RBEGUAHPKKDWCB-MRXNPFEDSA-N 0 3 302.849 4.356 20 30 DIEDHN CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1[O-] ZINC000824650788 1050230408 /nfs/dbraw/zinc/23/04/08/1050230408.db2.gz WTHKGOLHPNBSDL-UHFFFAOYSA-N 0 3 320.436 4.360 20 30 DIEDHN CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1[O-] ZINC000824650788 1050230418 /nfs/dbraw/zinc/23/04/18/1050230418.db2.gz WTHKGOLHPNBSDL-UHFFFAOYSA-N 0 3 320.436 4.360 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1sccc1C1CC1 ZINC000591861970 1050235877 /nfs/dbraw/zinc/23/58/77/1050235877.db2.gz GBLDGUYIXFJXHY-ZDUSSCGKSA-N 0 3 321.405 4.002 20 30 DIEDHN C=CC[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccncc1 ZINC000734509652 1050278657 /nfs/dbraw/zinc/27/86/57/1050278657.db2.gz NPONZFYGZWZUSF-SFHVURJKSA-N 0 3 308.425 4.202 20 30 DIEDHN C#CCOc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000771894403 1050298591 /nfs/dbraw/zinc/29/85/91/1050298591.db2.gz XGQQUGDIBVLHQD-FQEVSTJZSA-N 0 3 309.384 4.005 20 30 DIEDHN N#C[C@@H]1CCCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085063 1050299566 /nfs/dbraw/zinc/29/95/66/1050299566.db2.gz DRXCCWUEVRIVLF-IUODEOHRSA-N 0 3 323.267 4.476 20 30 DIEDHN C=CCN(CC=C)CCOC(c1ccccc1)c1ccccc1 ZINC000058505978 1050311766 /nfs/dbraw/zinc/31/17/66/1050311766.db2.gz TXKJINNAUITDDD-UHFFFAOYSA-N 0 3 307.437 4.467 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC(c2ccc(F)cc2)CC1 ZINC000747655726 1050340107 /nfs/dbraw/zinc/34/01/07/1050340107.db2.gz AJXPDZCRQXOZIJ-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN C=CC[C@@H](C)NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000735086653 1050344402 /nfs/dbraw/zinc/34/44/02/1050344402.db2.gz QTSOSBWPAPCCLJ-GFCCVEGCSA-N 0 3 321.827 4.087 20 30 DIEDHN N#CCc1ccc(-c2cc(CN3CCCC3)ccc2F)s1 ZINC000592987364 1050360194 /nfs/dbraw/zinc/36/01/94/1050360194.db2.gz ZCRVQGJYQIHHLW-UHFFFAOYSA-N 0 3 300.402 4.216 20 30 DIEDHN CC1(C)Cc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785615671 1050399495 /nfs/dbraw/zinc/39/94/95/1050399495.db2.gz RZOYJWCQFBCNKD-LJQANCHMSA-N 0 3 318.420 4.049 20 30 DIEDHN CC1(C)C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673735 1050435012 /nfs/dbraw/zinc/43/50/12/1050435012.db2.gz IMHVKGODMRYFQG-XPKDYRNWSA-N 0 3 302.393 4.100 20 30 DIEDHN N#CCOc1ccc(CN2CCC(c3ccccc3F)CC2)cc1 ZINC000736312154 1050466710 /nfs/dbraw/zinc/46/67/10/1050466710.db2.gz FFOKFBOXAHKCQG-UHFFFAOYSA-N 0 3 324.399 4.108 20 30 DIEDHN CCCN(CCC)c1ccc(C=NOCc2cccnc2)cc1 ZINC000746586030 1050482906 /nfs/dbraw/zinc/48/29/06/1050482906.db2.gz QETFNYFKFVLHGL-UHFFFAOYSA-N 0 3 311.429 4.259 20 30 DIEDHN C=CCCN(Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1 ZINC001144199315 1050492283 /nfs/dbraw/zinc/49/22/83/1050492283.db2.gz CTIHPSDXXLIWQH-UHFFFAOYSA-N 0 3 309.388 4.280 20 30 DIEDHN C=CCCN(Cc1n[nH]c2ccc(F)cc21)Cc1ccccc1 ZINC001144199315 1050492286 /nfs/dbraw/zinc/49/22/86/1050492286.db2.gz CTIHPSDXXLIWQH-UHFFFAOYSA-N 0 3 309.388 4.280 20 30 DIEDHN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000594497867 1050518525 /nfs/dbraw/zinc/51/85/25/1050518525.db2.gz JYVGQKXJEIBSIV-UHFFFAOYSA-N 0 3 308.425 4.095 20 30 DIEDHN CCOc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594496021 1050519224 /nfs/dbraw/zinc/51/92/24/1050519224.db2.gz XGKHFSFLGLWYJL-UHFFFAOYSA-N 0 3 308.425 4.176 20 30 DIEDHN N#Cc1ccc(C2(NCc3cc4ccccc4[nH]3)CCC2)cc1 ZINC000594517905 1050527292 /nfs/dbraw/zinc/52/72/92/1050527292.db2.gz CZQRIUNSQKCNJR-UHFFFAOYSA-N 0 3 301.393 4.209 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCCc4ccc(O)cc43)CCC2)cc1 ZINC000594519201 1050528058 /nfs/dbraw/zinc/52/80/58/1050528058.db2.gz VJDDLZOYJKIBCI-FQEVSTJZSA-N 0 3 318.420 4.310 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCc4cc(F)ccc43)CCC2)cc1 ZINC000594517550 1050528240 /nfs/dbraw/zinc/52/82/40/1050528240.db2.gz YOKNNNUZCIMYLL-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCCc4ccc(O)cc43)CCC2)cc1 ZINC000594519202 1050528757 /nfs/dbraw/zinc/52/87/57/1050528757.db2.gz VJDDLZOYJKIBCI-HXUWFJFHSA-N 0 3 318.420 4.310 20 30 DIEDHN CCOc1cccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034826 1050543485 /nfs/dbraw/zinc/54/34/85/1050543485.db2.gz UEIARZIAIVDSPQ-VBKZILBWSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cccs1 ZINC000739143903 1050559917 /nfs/dbraw/zinc/55/99/17/1050559917.db2.gz RYNGXWCRCKYKSU-QWRGUYRKSA-N 0 3 312.419 4.338 20 30 DIEDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594916418 1050561108 /nfs/dbraw/zinc/56/11/08/1050561108.db2.gz FBBGZKOJSMOJBC-MRXNPFEDSA-N 0 3 320.436 4.410 20 30 DIEDHN CCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594919636 1050563277 /nfs/dbraw/zinc/56/32/77/1050563277.db2.gz IDOSHFZCPAXDEB-UHFFFAOYSA-N 0 3 324.399 4.069 20 30 DIEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000594923178 1050564397 /nfs/dbraw/zinc/56/43/97/1050564397.db2.gz DRXIKBMTWUCMPX-CQSZACIVSA-N 0 3 321.380 4.001 20 30 DIEDHN COc1cccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594927232 1050565939 /nfs/dbraw/zinc/56/59/39/1050565939.db2.gz ZYYKYAOQWVDQFR-OAHLLOKOSA-N 0 3 306.409 4.101 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(Cl)c2F)no1 ZINC001211436676 1050566358 /nfs/dbraw/zinc/56/63/58/1050566358.db2.gz SLQOYTMXATYMKC-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN Cc1cccc2[nH]c(CN[C@@H]3CCc4cc(C#N)ccc43)cc21 ZINC000594935631 1050576049 /nfs/dbraw/zinc/57/60/49/1050576049.db2.gz BMHYWSIUIQFBDR-LJQANCHMSA-N 0 3 301.393 4.125 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc2ccccc2n1 ZINC000845438319 1050577857 /nfs/dbraw/zinc/57/78/57/1050577857.db2.gz MWPLQOYVEWASDV-WTTBNOFXSA-N 0 3 302.377 4.013 20 30 DIEDHN CCOc1ccc(CNCc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000594941534 1050578864 /nfs/dbraw/zinc/57/88/64/1050578864.db2.gz VCNIZUDIIKGWBW-UHFFFAOYSA-N 0 3 314.816 4.209 20 30 DIEDHN CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)c(C)c1 ZINC000594950646 1050579463 /nfs/dbraw/zinc/57/94/63/1050579463.db2.gz MFDUZEJKIYDIME-UHFFFAOYSA-N 0 3 320.436 4.434 20 30 DIEDHN C#CCCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000792433766 1050584407 /nfs/dbraw/zinc/58/44/07/1050584407.db2.gz VZPDQICBFCAKKC-UHFFFAOYSA-N 0 3 301.739 4.351 20 30 DIEDHN Cc1ccc2oc(CN[C@H](C)c3ccc(OCC#N)cc3)cc2c1 ZINC000740003949 1050596443 /nfs/dbraw/zinc/59/64/43/1050596443.db2.gz DTYRUWGIGUWUFN-OAHLLOKOSA-N 0 3 320.392 4.494 20 30 DIEDHN C=CCCCCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000739930056 1050596974 /nfs/dbraw/zinc/59/69/74/1050596974.db2.gz HOUXOVYQUCHYLQ-UHFFFAOYSA-N 0 3 306.837 4.421 20 30 DIEDHN C#Cc1ccc(CN2CCC(Oc3ccccc3C)CC2)cc1 ZINC001144567427 1050619649 /nfs/dbraw/zinc/61/96/49/1050619649.db2.gz JZCSKNIEEIQMDV-UHFFFAOYSA-N 0 3 305.421 4.020 20 30 DIEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418957 1050633908 /nfs/dbraw/zinc/63/39/08/1050633908.db2.gz GVORYHIUJMXMDF-RBUKOAKNSA-N 0 3 300.446 4.216 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3c2CCC3)c1 ZINC000845935616 1050636735 /nfs/dbraw/zinc/63/67/35/1050636735.db2.gz BALUZFUNAIZEPQ-LJQANCHMSA-N 0 3 320.436 4.146 20 30 DIEDHN C[C@@H](NCc1coc2ccccc12)c1ccc(OCC#N)cc1 ZINC000746727960 1050654366 /nfs/dbraw/zinc/65/43/66/1050654366.db2.gz JDLXVSMYWQBALE-CQSZACIVSA-N 0 3 306.365 4.186 20 30 DIEDHN N#CC[C@@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595614265 1050657773 /nfs/dbraw/zinc/65/77/73/1050657773.db2.gz JFDKDTMDSYMGFC-SFHVURJKSA-N 0 3 320.436 4.391 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000772956295 1050781067 /nfs/dbraw/zinc/78/10/67/1050781067.db2.gz BHMWLRDAWWMAIX-GFCCVEGCSA-N 0 3 318.779 4.232 20 30 DIEDHN C[C@H]1c2ccsc2CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596978636 1050791702 /nfs/dbraw/zinc/79/17/02/1050791702.db2.gz BGKCZQXJHUCGMX-AWEZNQCLSA-N 0 3 308.450 4.423 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597162295 1050813994 /nfs/dbraw/zinc/81/39/94/1050813994.db2.gz VTYFOFYZFXUAPV-INIZCTEOSA-N 0 3 315.420 4.306 20 30 DIEDHN N#CC1(CNC2CC(c3cc(F)cc(F)c3)C2)CCCCC1 ZINC000597216565 1050824746 /nfs/dbraw/zinc/82/47/46/1050824746.db2.gz YHMPAPVGNPBDKX-UHFFFAOYSA-N 0 3 304.384 4.274 20 30 DIEDHN C#CCCCNCc1sc(Sc2ccccc2)nc1Cl ZINC000742385111 1050828217 /nfs/dbraw/zinc/82/82/17/1050828217.db2.gz LKIDAKCQPOLAEJ-UHFFFAOYSA-N 0 3 322.886 4.451 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2cc(C)c(F)c(C)c2)cc1 ZINC000742379661 1050839861 /nfs/dbraw/zinc/83/98/61/1050839861.db2.gz ZUWFXLQQYGWWME-MRXNPFEDSA-N 0 3 311.400 4.305 20 30 DIEDHN C=C(CC)CN1CCC[C@H]1Cc1ccccc1Br ZINC001171309313 1050885616 /nfs/dbraw/zinc/88/56/16/1050885616.db2.gz XKQDFAYDBRFLJU-HNNXBMFYSA-N 0 3 308.263 4.422 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000772985690 1050901981 /nfs/dbraw/zinc/90/19/81/1050901981.db2.gz WFFYHUDTTRYZIX-YJBOKZPZSA-N 0 3 323.440 4.230 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000772985689 1050902269 /nfs/dbraw/zinc/90/22/69/1050902269.db2.gz WFFYHUDTTRYZIX-QAPCUYQASA-N 0 3 323.440 4.230 20 30 DIEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743257539 1051002730 /nfs/dbraw/zinc/00/27/30/1051002730.db2.gz HCJFHVQLJGOQKR-MRXNPFEDSA-N 0 3 307.846 4.123 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000790980636 1051019415 /nfs/dbraw/zinc/01/94/15/1051019415.db2.gz PDGDIXCQDLTPNA-OAQYLSRUSA-N 0 3 305.421 4.330 20 30 DIEDHN COc1ccc(CN[C@H]2C[C@H](C)c3c2cccc3C)cc1C#N ZINC000773086099 1051059375 /nfs/dbraw/zinc/05/93/75/1051059375.db2.gz YHYOIRMYNCOWIW-KSSFIOAISA-N 0 3 306.409 4.213 20 30 DIEDHN C#CC[C@@H](N[C@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108550 1051065968 /nfs/dbraw/zinc/06/59/68/1051065968.db2.gz ZSOBNPGMBSCSOC-WOJBJXKFSA-N 0 3 305.421 4.427 20 30 DIEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743854959 1051077568 /nfs/dbraw/zinc/07/75/68/1051077568.db2.gz VMKUAAPLQBUKGH-FOIQADDNSA-N 0 3 324.399 4.311 20 30 DIEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000744029163 1051093270 /nfs/dbraw/zinc/09/32/70/1051093270.db2.gz PMXYKFNFVUQDNH-RDJZCZTQSA-N 0 3 314.429 4.249 20 30 DIEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000744033130 1051101326 /nfs/dbraw/zinc/10/13/26/1051101326.db2.gz NJLOCAWSOWKLNK-KEYYUXOJSA-N 0 3 314.429 4.284 20 30 DIEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105966 1051116730 /nfs/dbraw/zinc/11/67/30/1051116730.db2.gz OPFQADNTHPXDGY-BLGFXRMMSA-N 0 3 316.335 4.264 20 30 DIEDHN N#CC(C(=O)CCc1cccs1)c1nccc2ccccc21 ZINC000792097401 1051120335 /nfs/dbraw/zinc/12/03/35/1051120335.db2.gz WDTNUTRFRHFTCO-MRXNPFEDSA-N 0 3 306.390 4.105 20 30 DIEDHN C#CC[C@@H]1CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC001171489939 1051143333 /nfs/dbraw/zinc/14/33/33/1051143333.db2.gz KMZWKVCMLGDIOO-UONOGXRCSA-N 0 3 306.247 4.245 20 30 DIEDHN Cc1ccc(F)c(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170367059 1051192993 /nfs/dbraw/zinc/19/29/93/1051192993.db2.gz DUDGEXNULPFCHQ-UHFFFAOYSA-N 0 3 323.415 4.023 20 30 DIEDHN C#CCCN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792943757 1051227636 /nfs/dbraw/zinc/22/76/36/1051227636.db2.gz UBAFZHRPKMJFAC-UHFFFAOYSA-N 0 3 309.253 4.179 20 30 DIEDHN COCC#CCN[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001171799389 1051222074 /nfs/dbraw/zinc/22/20/74/1051222074.db2.gz OPWBBHGQJNOSDD-ROUUACIJSA-N 0 3 323.436 4.127 20 30 DIEDHN C=CCN(Cc1cccc(SC(F)(F)F)c1)[C@@H](C)COC ZINC001171917058 1051241983 /nfs/dbraw/zinc/24/19/83/1051241983.db2.gz TUDXDMXVCKQVBY-LBPRGKRZSA-N 0 3 319.392 4.321 20 30 DIEDHN Cc1cnc(Nc2cccc(CN3CCCCC3)c2F)c(C#N)c1 ZINC001215675801 1051294286 /nfs/dbraw/zinc/29/42/86/1051294286.db2.gz RUBPPDJBCYKQAP-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN N#Cc1ccsc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215709953 1051316777 /nfs/dbraw/zinc/31/67/77/1051316777.db2.gz KNAAQJGBFMAWIE-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN N#Cc1cccc(Nc2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001215711840 1051319021 /nfs/dbraw/zinc/31/90/21/1051319021.db2.gz JENWDAQLCSQLMR-UHFFFAOYSA-N 0 3 309.388 4.427 20 30 DIEDHN N#Cc1cc(Nc2ccc(CN3CCCCC3)c(F)c2)cs1 ZINC001215711387 1051319319 /nfs/dbraw/zinc/31/93/19/1051319319.db2.gz QTJDFTUBNFJKHM-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN Cc1ccc(Cl)c(CN[C@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172290333 1051346846 /nfs/dbraw/zinc/34/68/46/1051346846.db2.gz OOILMWZQDHLWEB-CYBMUJFWSA-N 0 3 316.807 4.380 20 30 DIEDHN Cc1ccc(F)c(CN[C@H](C)Cc2ccc(C#N)cc2)c1Cl ZINC001172289263 1051347646 /nfs/dbraw/zinc/34/76/46/1051347646.db2.gz AXHSLFBJWNJOKJ-CYBMUJFWSA-N 0 3 316.807 4.380 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](C)c1c(F)cccc1F ZINC001172296245 1051350188 /nfs/dbraw/zinc/35/01/88/1051350188.db2.gz GVZZGJFLCMOPSA-STQMWFEESA-N 0 3 300.352 4.118 20 30 DIEDHN CCCCCCC[C@@H](CC)N[C@H](CC(=O)OC)c1ccccn1 ZINC001172351785 1051368935 /nfs/dbraw/zinc/36/89/35/1051368935.db2.gz VIPAELPREHJIBS-SJLPKXTDSA-N 0 3 320.477 4.415 20 30 DIEDHN COCc1cc([C@H](C)N[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348593 1051394278 /nfs/dbraw/zinc/39/42/78/1051394278.db2.gz AJULNTTZUKCFOA-CABCVRRESA-N 0 3 324.424 4.125 20 30 DIEDHN CCCCCCCC[C@H](CC)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172501719 1051420436 /nfs/dbraw/zinc/42/04/36/1051420436.db2.gz JXVHERYOXIPVDI-KRWDZBQOSA-N 0 3 322.493 4.294 20 30 DIEDHN CCCCCCCC[C@H](CC)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172503666 1051422114 /nfs/dbraw/zinc/42/21/14/1051422114.db2.gz ZNGGJKMIGJQJEM-DLBZAZTESA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCC[C@@H](CCC)n1cnc(CN)c1C(=O)OCC ZINC001172502510 1051422138 /nfs/dbraw/zinc/42/21/38/1051422138.db2.gz QSYGRWGSVHWBCE-OAHLLOKOSA-N 0 3 323.481 4.220 20 30 DIEDHN CCCCCCC[C@@H](CCC)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172507704 1051424954 /nfs/dbraw/zinc/42/49/54/1051424954.db2.gz ADZIPYCYLRRSFV-IKGGRYGDSA-N 0 3 305.453 4.260 20 30 DIEDHN CCCCCCC[C@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172509328 1051426423 /nfs/dbraw/zinc/42/64/23/1051426423.db2.gz WEWMGFCKPHLLGE-HOTGVXAUSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCC[C@H](CCC)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172511766 1051428231 /nfs/dbraw/zinc/42/82/31/1051428231.db2.gz WPHWXKGBOHEGEY-DLBZAZTESA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCC[C@@H](CCCC)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172511800 1051428974 /nfs/dbraw/zinc/42/89/74/1051428974.db2.gz ADIPDWBMEFOXTE-CVEARBPZSA-N 0 3 300.487 4.025 20 30 DIEDHN Cc1ccc([C@H](C)C(=O)C(C#N)c2nc(C(C)C)cs2)o1 ZINC000747193348 1051436432 /nfs/dbraw/zinc/43/64/32/1051436432.db2.gz ILINANMUPSOBSL-RYUDHWBXSA-N 0 3 302.399 4.148 20 30 DIEDHN C[C@H](CCc1c(F)cc(Cl)cc1F)NCc1cc(C#N)co1 ZINC001172572822 1051448771 /nfs/dbraw/zinc/44/87/71/1051448771.db2.gz LVIOPKCXLABJBI-SNVBAGLBSA-N 0 3 324.758 4.194 20 30 DIEDHN CC(C)c1ccc(C[C@@H]2CCN(Cc3ccc(C#N)o3)C2)cc1 ZINC001168969581 1051481227 /nfs/dbraw/zinc/48/12/27/1051481227.db2.gz WWRSTVKAQCMBKK-KRWDZBQOSA-N 0 3 308.425 4.339 20 30 DIEDHN C[C@@H]1C[C@H](Nc2ccc(/N=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372710 1051593040 /nfs/dbraw/zinc/59/30/40/1051593040.db2.gz AGZWVJJYFXEVRN-JZFWZYODSA-N 0 3 318.424 4.440 20 30 DIEDHN N#CCCN([C@@H]1CCc2ncsc2C1)C1CCCCCCC1 ZINC001173140182 1051623284 /nfs/dbraw/zinc/62/32/84/1051623284.db2.gz XEPWUOYGUZZMRN-MRXNPFEDSA-N 0 3 317.502 4.329 20 30 DIEDHN CCCCCCCC[C@H](CCC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001173309760 1051681631 /nfs/dbraw/zinc/68/16/31/1051681631.db2.gz KWJJZLUALWRYIN-IRXDYDNUSA-N 0 3 317.539 4.025 20 30 DIEDHN CCCCCCCC[C@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173310774 1051683808 /nfs/dbraw/zinc/68/38/08/1051683808.db2.gz YUVGCSSUINZVKG-SJORKVTESA-N 0 3 309.498 4.007 20 30 DIEDHN N=C(N[C@@H]1CCCC2(CCCCC2)C1)c1ccc(Cl)cn1 ZINC001173347487 1051707427 /nfs/dbraw/zinc/70/74/27/1051707427.db2.gz DKXPMRXCTMGQMW-CQSZACIVSA-N 0 3 305.853 4.333 20 30 DIEDHN C=CC[C@H]1N(C[C@@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843666 1051711212 /nfs/dbraw/zinc/71/12/12/1051711212.db2.gz HFHUVXRNBIQWQG-HZPDHXFCSA-N 0 3 309.400 4.065 20 30 DIEDHN C#CCCCN1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000766903348 1051740741 /nfs/dbraw/zinc/74/07/41/1051740741.db2.gz CWAVCAQYSGVBPJ-HNNXBMFYSA-N 0 3 307.869 4.051 20 30 DIEDHN CN(Cc1ccccc1Br)C1CCC(C)(C#N)CC1 ZINC001173592564 1051755773 /nfs/dbraw/zinc/75/57/73/1051755773.db2.gz TYULQKYXZMGJPF-UHFFFAOYSA-N 0 3 321.262 4.353 20 30 DIEDHN Cc1cc(CN(Cc2ccccc2)C2CCC(C)(C#N)CC2)on1 ZINC001173598174 1051758677 /nfs/dbraw/zinc/75/86/77/1051758677.db2.gz NSKCPHAOIQULOK-UHFFFAOYSA-N 0 3 323.440 4.458 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806166847 1051766756 /nfs/dbraw/zinc/76/67/56/1051766756.db2.gz YIAUMUNKUBHZJA-INIZCTEOSA-N 0 3 314.816 4.077 20 30 DIEDHN N#Cc1cccc(CN2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000609194931 1051882868 /nfs/dbraw/zinc/88/28/68/1051882868.db2.gz RJEXLHNINYNQLK-UHFFFAOYSA-N 0 3 312.363 4.216 20 30 DIEDHN CC(C)[Si](C#CNCc1ccc(O)c(O)c1)(C(C)C)C(C)C ZINC001169992732 1051934912 /nfs/dbraw/zinc/93/49/12/1051934912.db2.gz LSTHELBYTSVNSO-UHFFFAOYSA-N 0 3 319.521 4.366 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000768530627 1051939883 /nfs/dbraw/zinc/93/98/83/1051939883.db2.gz NJBWBCKUYUNOPV-CYBMUJFWSA-N 0 3 320.314 4.160 20 30 DIEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191529975 1051975150 /nfs/dbraw/zinc/97/51/50/1051975150.db2.gz XAZVQGWXBVNXIL-SWLSCSKDSA-N 0 3 303.381 4.271 20 30 DIEDHN C=CC[C@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccncc1 ZINC000769519984 1052076054 /nfs/dbraw/zinc/07/60/54/1052076054.db2.gz VCDJLCJGVPDPEI-SFHVURJKSA-N 0 3 324.424 4.134 20 30 DIEDHN C#CCCOc1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1 ZINC000769537662 1052078120 /nfs/dbraw/zinc/07/81/20/1052078120.db2.gz ODAHEFPPBKNZQA-OAQYLSRUSA-N 0 3 322.452 4.154 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000495183401 1052250028 /nfs/dbraw/zinc/25/00/28/1052250028.db2.gz KVLHGGPMKCLZLK-UHFFFAOYSA-N 0 3 321.424 4.209 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1nc2ccc(C)cc2s1 ZINC001218526659 1052250739 /nfs/dbraw/zinc/25/07/39/1052250739.db2.gz PSUZDGJGTGTNFJ-ZDUSSCGKSA-N 0 3 317.458 4.007 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cncc(-c2ccccc2)c1 ZINC001218670859 1052254853 /nfs/dbraw/zinc/25/48/53/1052254853.db2.gz IRTUANWORRRLCH-IBGZPJMESA-N 0 3 323.440 4.151 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc2scnc2c(C)c1 ZINC001219184364 1052277323 /nfs/dbraw/zinc/27/73/23/1052277323.db2.gz LXGRWJBRFYDUQY-AWEZNQCLSA-N 0 3 317.458 4.007 20 30 DIEDHN CC(C)SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000915101666 1052346602 /nfs/dbraw/zinc/34/66/02/1052346602.db2.gz FEPONJAYFDACTA-CYBMUJFWSA-N 0 3 316.451 4.128 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000915113166 1052350982 /nfs/dbraw/zinc/35/09/82/1052350982.db2.gz PLRSQNARSQSJAT-YZLQOSHFSA-N 0 3 321.424 4.290 20 30 DIEDHN CC(C)[C@H](C/N=C\c1cc(Cl)ccc1[O-])[NH+]1CCC(C)CC1 ZINC000915113548 1052351313 /nfs/dbraw/zinc/35/13/13/1052351313.db2.gz YJOCCSIEUJNEQP-BCUAHEQISA-N 0 3 322.880 4.221 20 30 DIEDHN CC(C)[C@H](C/N=C/c1cc(Cl)ccc1[O-])[NH+]1CCC(C)CC1 ZINC000915113551 1052351402 /nfs/dbraw/zinc/35/14/02/1052351402.db2.gz YJOCCSIEUJNEQP-PBGVMVHZSA-N 0 3 322.880 4.221 20 30 DIEDHN CCC[C@@H](NCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193871761 1052509216 /nfs/dbraw/zinc/50/92/16/1052509216.db2.gz GZEARFGYLPVDKD-GOSISDBHSA-N 0 3 309.369 4.097 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000916946887 1052670395 /nfs/dbraw/zinc/67/03/95/1052670395.db2.gz AUDVMXDBYIGQIB-YOEHRIQHSA-N 0 3 314.429 4.428 20 30 DIEDHN C=CCCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224918004 1052736331 /nfs/dbraw/zinc/73/63/31/1052736331.db2.gz WEVCTRCXWSLKJK-UHOSZYNNSA-N 0 3 307.478 4.114 20 30 DIEDHN CCCCS[C@H](C)C(=O)C(C#N)c1nc2ccccc2s1 ZINC000918482876 1052800950 /nfs/dbraw/zinc/80/09/50/1052800950.db2.gz FTXQWXJTNQWILW-NEPJUHHUSA-N 0 3 318.467 4.394 20 30 DIEDHN N#Cc1ccc(CN(Cc2cccc3cccnc32)C2CC2)cc1 ZINC000194962174 1052877818 /nfs/dbraw/zinc/87/78/18/1052877818.db2.gz YZGXOSHNVWMGIG-UHFFFAOYSA-N 0 3 313.404 4.271 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000919762324 1052887669 /nfs/dbraw/zinc/88/76/69/1052887669.db2.gz IKJDBOPPCUOYTE-MJGOQNOKSA-N 0 3 316.489 4.299 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2cccs2)c([O-])c1 ZINC000920943960 1052955906 /nfs/dbraw/zinc/95/59/06/1052955906.db2.gz GHTZNXIEFVSPOH-CYUIRQCWSA-N 0 3 302.443 4.480 20 30 DIEDHN C[C@H](Cc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000921130823 1052962942 /nfs/dbraw/zinc/96/29/42/1052962942.db2.gz CZIGIKDIEQEYSM-DOMZBBRYSA-N 0 3 322.339 4.022 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000609823460 1052994498 /nfs/dbraw/zinc/99/44/98/1052994498.db2.gz HLCVLTQAEIFEJM-HNAYVOBHSA-N 0 3 308.450 4.409 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3ccccc3c2)cc1 ZINC000237600255 1053014099 /nfs/dbraw/zinc/01/40/99/1053014099.db2.gz GDKMJWBERKDYSB-MRXNPFEDSA-N 0 3 316.404 4.420 20 30 DIEDHN CC(C)(NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000179600468 1053017359 /nfs/dbraw/zinc/01/73/59/1053017359.db2.gz ZIRPZLJZVJWHRY-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000615439996 1053017480 /nfs/dbraw/zinc/01/74/80/1053017480.db2.gz AQZQGQAQMNRYJK-JXFKEZNVSA-N 0 3 306.409 4.083 20 30 DIEDHN N#CCCCOc1cccc(CNC2(c3ccccc3)CC2)c1 ZINC000068980124 1053095235 /nfs/dbraw/zinc/09/52/35/1053095235.db2.gz DQTCEYUMBYYDBO-UHFFFAOYSA-N 0 3 306.409 4.148 20 30 DIEDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000181055720 1053124920 /nfs/dbraw/zinc/12/49/20/1053124920.db2.gz WJQSLQMWOJYOKC-AWEZNQCLSA-N 0 3 316.408 4.108 20 30 DIEDHN C=CCc1ccccc1O[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001228847474 1053192505 /nfs/dbraw/zinc/19/25/05/1053192505.db2.gz UMIZVBXIXBDGHU-HKUYNNGSSA-N 0 3 322.452 4.415 20 30 DIEDHN C=CC1(CC(=O)N(CCN(C)C)c2ccccc2)CCCCC1 ZINC001351808817 1053226860 /nfs/dbraw/zinc/22/68/60/1053226860.db2.gz XGABFWGQJDAQIN-UHFFFAOYSA-N 0 3 314.473 4.108 20 30 DIEDHN Fc1ccc(/N=C/c2ccc(O[C@H]3CN4CCC3CC4)cc2)cc1 ZINC001229357855 1053306505 /nfs/dbraw/zinc/30/65/05/1053306505.db2.gz YVZRENMFYBOXAQ-BOURKTIISA-N 0 3 324.399 4.049 20 30 DIEDHN C=C[C@H](COC)N[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306060 1053322985 /nfs/dbraw/zinc/32/29/85/1053322985.db2.gz LRUJHOGOFCLBKG-IUODEOHRSA-N 0 3 313.413 4.169 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc(-c2ccccc2Cl)s1 ZINC001320293919 1053323303 /nfs/dbraw/zinc/32/33/03/1053323303.db2.gz FGKBLHWUOMLZIK-LBPRGKRZSA-N 0 3 307.846 4.359 20 30 DIEDHN C=CCOc1ccc(CN(Cc2cc(C)[nH]n2)C(C)(C)C)cc1 ZINC001320474981 1053338030 /nfs/dbraw/zinc/33/80/30/1053338030.db2.gz CFFBYWRDCJXLPM-UHFFFAOYSA-N 0 3 313.445 4.084 20 30 DIEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)cc2cccnc12 ZINC000618743196 1053361105 /nfs/dbraw/zinc/36/11/05/1053361105.db2.gz ZVEYRCSLLQJENT-FQEVSTJZSA-N 0 3 313.404 4.192 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2cc(Cl)ccc21 ZINC000618802385 1053365632 /nfs/dbraw/zinc/36/56/32/1053365632.db2.gz JHQXHYFDDBOZDD-MOPGFXCFSA-N 0 3 308.812 4.476 20 30 DIEDHN N#CC1(c2ccccc2)CC(NCc2cccc(C(F)F)c2)C1 ZINC001320869525 1053369656 /nfs/dbraw/zinc/36/96/56/1053369656.db2.gz ZDSVJJQJITVJHX-UHFFFAOYSA-N 0 3 312.363 4.338 20 30 DIEDHN Cc1c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803167 1053369777 /nfs/dbraw/zinc/36/97/77/1053369777.db2.gz QMLPTQYRYWLUSD-ACJLOTCBSA-N 0 3 321.380 4.113 20 30 DIEDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804781 1053370765 /nfs/dbraw/zinc/37/07/65/1053370765.db2.gz MJYGTWGCXZGIFP-VLIAUNLRSA-N 0 3 306.409 4.295 20 30 DIEDHN CC(C)(NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC001320895708 1053371856 /nfs/dbraw/zinc/37/18/56/1053371856.db2.gz JFVSBOILINJENM-UHFFFAOYSA-N 0 3 324.428 4.057 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccccc1C(F)(F)F ZINC000618831263 1053377655 /nfs/dbraw/zinc/37/76/55/1053377655.db2.gz DECDXPOAFUJCPE-QGZVFWFLSA-N 0 3 316.326 4.354 20 30 DIEDHN C=CCCCCCCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001229662811 1053378753 /nfs/dbraw/zinc/37/87/53/1053378753.db2.gz MXKLGQNDUCVFGH-UHFFFAOYSA-N 0 3 323.525 4.029 20 30 DIEDHN C=C[C@]1(C)CC[C@H](Oc2ccccc2CN(C)C)C(C)(C)O1 ZINC001229702281 1053386790 /nfs/dbraw/zinc/38/67/90/1053386790.db2.gz RTWDGKVKNYQMNE-PKOBYXMFSA-N 0 3 303.446 4.029 20 30 DIEDHN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccccc2CN(C)C)O1 ZINC001229700268 1053387368 /nfs/dbraw/zinc/38/73/68/1053387368.db2.gz WXNBTCMWNJHCGZ-MJGOQNOKSA-N 0 3 303.446 4.029 20 30 DIEDHN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccccc2CN(C)C)O1 ZINC001229700266 1053387949 /nfs/dbraw/zinc/38/79/49/1053387949.db2.gz WXNBTCMWNJHCGZ-HKUYNNGSSA-N 0 3 303.446 4.029 20 30 DIEDHN C=C[C@]1(C)CC[C@@H](Oc2ccccc2CN(C)C)C(C)(C)O1 ZINC001229702278 1053388537 /nfs/dbraw/zinc/38/85/37/1053388537.db2.gz RTWDGKVKNYQMNE-IEBWSBKVSA-N 0 3 303.446 4.029 20 30 DIEDHN COc1cc(CNCc2ccc(OC(C)(C)C)cc2)ccc1C#N ZINC000619652592 1053525399 /nfs/dbraw/zinc/52/53/99/1053525399.db2.gz RYUJHKHXUDONDF-UHFFFAOYSA-N 0 3 324.424 4.034 20 30 DIEDHN COc1cccc2c1CCC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000619672847 1053527589 /nfs/dbraw/zinc/52/75/89/1053527589.db2.gz NQERSZAVGJBMMJ-LIRRHRJNSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1cccc2c1CCC[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000619672846 1053528377 /nfs/dbraw/zinc/52/83/77/1053528377.db2.gz NQERSZAVGJBMMJ-KUHUBIRLSA-N 0 3 306.409 4.295 20 30 DIEDHN N#CC1(c2ccccn2)CCN(Cc2ccccc2C2CC2)CC1 ZINC000619726141 1053544175 /nfs/dbraw/zinc/54/41/75/1053544175.db2.gz ANRDVWXMRZLLIX-UHFFFAOYSA-N 0 3 317.436 4.016 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 ZINC000619754658 1053546303 /nfs/dbraw/zinc/54/63/03/1053546303.db2.gz GWPPMNQDQVIIFI-GOSISDBHSA-N 0 3 309.800 4.324 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3c2cccc3C)cc1OC ZINC001200314564 1053546345 /nfs/dbraw/zinc/54/63/45/1053546345.db2.gz PCYKUAHUWYVFQM-IBGZPJMESA-N 0 3 323.436 4.346 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755161 1053548192 /nfs/dbraw/zinc/54/81/92/1053548192.db2.gz URKKDUBLMUZYHQ-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021815 1053617264 /nfs/dbraw/zinc/61/72/64/1053617264.db2.gz MFSIRLIGLYCMIP-WCQYABFASA-N 0 3 319.392 4.193 20 30 DIEDHN CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccc(F)cc1 ZINC001325298616 1053710078 /nfs/dbraw/zinc/71/00/78/1053710078.db2.gz DTAVFFQFECAZNL-KUHUBIRLSA-N 0 3 312.388 4.357 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620043 1053725193 /nfs/dbraw/zinc/72/51/93/1053725193.db2.gz OBWBPCVUCKVOPJ-DOMZBBRYSA-N 0 3 305.418 4.406 20 30 DIEDHN C=C(CNCc1cccc(OC)c1OC(C)C)c1ccccc1 ZINC000620757870 1053728240 /nfs/dbraw/zinc/72/82/40/1053728240.db2.gz VERRWAJLOYXPJF-UHFFFAOYSA-N 0 3 311.425 4.285 20 30 DIEDHN C=CC[C@@H](NCc1cnc2c(F)cccc2c1)c1ccncc1 ZINC001200562534 1053765751 /nfs/dbraw/zinc/76/57/51/1053765751.db2.gz OTCPVHYWMUWTKN-GOSISDBHSA-N 0 3 307.372 4.176 20 30 DIEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271505861 1053816373 /nfs/dbraw/zinc/81/63/73/1053816373.db2.gz RLMIGIFZRWUWRD-JKSUJKDBSA-N 0 3 324.424 4.318 20 30 DIEDHN C#Cc1cccc(CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC001231659140 1053822385 /nfs/dbraw/zinc/82/23/85/1053822385.db2.gz HLLHAMLWCBHLRO-LJQANCHMSA-N 0 3 321.420 4.022 20 30 DIEDHN C#Cc1cccc(CN(C)Cc2ccccc2C(F)(F)F)c1 ZINC001231663397 1053827658 /nfs/dbraw/zinc/82/76/58/1053827658.db2.gz RDACZTUCQFTSBR-UHFFFAOYSA-N 0 3 303.327 4.319 20 30 DIEDHN C=CCN(CC=C)Cc1c[nH]c2c1cccc2Br ZINC001232019659 1053945362 /nfs/dbraw/zinc/94/53/62/1053945362.db2.gz MYJNUWHEJYCOJT-UHFFFAOYSA-N 0 3 305.219 4.104 20 30 DIEDHN Cc1cccc(F)c1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001232488087 1054058108 /nfs/dbraw/zinc/05/81/08/1054058108.db2.gz ZDUCOUVGOVOPOY-SFHVURJKSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(-n2cccn2)cc1Cl ZINC001232597216 1054078864 /nfs/dbraw/zinc/07/88/64/1054078864.db2.gz ZZBDOBBISGAENC-UHFFFAOYSA-N 0 3 303.837 4.314 20 30 DIEDHN C=CCCCCN(C)Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001232602044 1054080550 /nfs/dbraw/zinc/08/05/50/1054080550.db2.gz GGTOOVZAJCFLMZ-UHFFFAOYSA-N 0 3 319.449 4.217 20 30 DIEDHN C=CCN(Cc1c[nH]c2cc(Cl)ncc12)Cc1ccccc1 ZINC001232824721 1054127968 /nfs/dbraw/zinc/12/79/68/1054127968.db2.gz YXHFUKRUTXXBGQ-UHFFFAOYSA-N 0 3 311.816 4.405 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC001232845668 1054129630 /nfs/dbraw/zinc/12/96/30/1054129630.db2.gz IPXCREMXCJSAIZ-HNNXBMFYSA-N 0 3 314.429 4.214 20 30 DIEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)s1 ZINC001232844440 1054130782 /nfs/dbraw/zinc/13/07/82/1054130782.db2.gz PJKJJLHAKXKYHN-UHFFFAOYSA-N 0 3 306.434 4.180 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccnc(Cl)c1 ZINC000848567210 1054153569 /nfs/dbraw/zinc/15/35/69/1054153569.db2.gz QWUUINCCEAAANE-CYBMUJFWSA-N 0 3 311.816 4.337 20 30 DIEDHN COc1c(C)cc(CNC2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000848569401 1054154651 /nfs/dbraw/zinc/15/46/51/1054154651.db2.gz ZRTKKHRLLGQCMP-UHFFFAOYSA-N 0 3 320.436 4.353 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)OC)cc1 ZINC001233299858 1054225593 /nfs/dbraw/zinc/22/55/93/1054225593.db2.gz RDCAIUJEVNLGMF-BUHFOSPRSA-N 0 3 321.420 4.061 20 30 DIEDHN CCCCCCCCN(C)Cc1cc(C(=O)OCC)ccn1 ZINC001233326042 1054231712 /nfs/dbraw/zinc/23/17/12/1054231712.db2.gz MWDLBEFBLCSZID-UHFFFAOYSA-N 0 3 306.450 4.051 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233445591 1054275775 /nfs/dbraw/zinc/27/57/75/1054275775.db2.gz LTWUZFVYJSJBOR-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN CCCCCCCC[C@H](N)C(=O)Nc1c(C)noc1C(C)C ZINC001341764988 1054409265 /nfs/dbraw/zinc/40/92/65/1054409265.db2.gz KPSUZSXGNUXENU-AWEZNQCLSA-N 0 3 309.454 4.123 20 30 DIEDHN CCCCCCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001357200971 1054437776 /nfs/dbraw/zinc/43/77/76/1054437776.db2.gz QSLMLLSZROJBIQ-UHFFFAOYSA-N 0 3 322.537 4.462 20 30 DIEDHN N#CC(C(=O)C[C@H]1CCCC1(F)F)c1ccc2ccccc2n1 ZINC001343289756 1054441091 /nfs/dbraw/zinc/44/10/91/1054441091.db2.gz VAGFXNGCWSEBMG-KGLIPLIRSA-N 0 3 314.335 4.237 20 30 DIEDHN C=C[C@@H](Oc1c(F)cc(CN(C)C)cc1OC)c1ccccc1 ZINC001234240108 1054469011 /nfs/dbraw/zinc/46/90/11/1054469011.db2.gz BXDJWHPVIPRDSZ-QGZVFWFLSA-N 0 3 315.388 4.202 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)c1coc2ccc(C(C)C)cc21 ZINC001344863729 1054481554 /nfs/dbraw/zinc/48/15/54/1054481554.db2.gz KBLYKPYENMZANV-HNNXBMFYSA-N 0 3 321.380 4.263 20 30 DIEDHN CCC[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346001116 1054524310 /nfs/dbraw/zinc/52/43/10/1054524310.db2.gz VYJWCUVMCQZQIG-HUUCEWRRSA-N 0 3 314.335 4.120 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)c(C)c2)c1 ZINC000073012342 1054614189 /nfs/dbraw/zinc/61/41/89/1054614189.db2.gz CSMMGFOPKVCMRX-LJQANCHMSA-N 0 3 308.425 4.274 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(C)c2C)c1 ZINC000073012120 1054614613 /nfs/dbraw/zinc/61/46/13/1054614613.db2.gz TUKYCWVPOBHKCG-LJQANCHMSA-N 0 3 308.425 4.274 20 30 DIEDHN CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccc1CC#N ZINC001235522149 1054738839 /nfs/dbraw/zinc/73/88/39/1054738839.db2.gz AGGGGEZPQCKZAZ-UHFFFAOYSA-N 0 3 318.342 4.403 20 30 DIEDHN CC(C)(C)c1ccc(CN2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001235676861 1054772116 /nfs/dbraw/zinc/77/21/16/1054772116.db2.gz WUTBIUUDVRWNIQ-UHFFFAOYSA-N 0 3 320.436 4.120 20 30 DIEDHN C=CCN(CC=C)Cc1ccc2cc(Br)cnc2c1 ZINC001235738432 1054796322 /nfs/dbraw/zinc/79/63/22/1054796322.db2.gz LUQCJXZNVCZSSN-UHFFFAOYSA-N 0 3 317.230 4.171 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(F)c(C#N)c2)cc1F ZINC001235897942 1054836364 /nfs/dbraw/zinc/83/63/64/1054836364.db2.gz WTXCRCIHOZYSOG-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN Cc1cnc(-c2cccc(CN3CCCCC3)c2F)cc1C#N ZINC001236006073 1054891560 /nfs/dbraw/zinc/89/15/60/1054891560.db2.gz QOKRIQUYKNKEJY-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1ccc(-c2cccc(CN3CCCCC3)c2F)nc1C#N ZINC001236006086 1054892056 /nfs/dbraw/zinc/89/20/56/1054892056.db2.gz XRRAONHJXXGTFV-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000182300682 1054978660 /nfs/dbraw/zinc/97/86/60/1054978660.db2.gz GSLCDBNGQRTVGC-AWEZNQCLSA-N 0 3 322.408 4.067 20 30 DIEDHN Cc1c(C#N)ccnc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236234240 1055024464 /nfs/dbraw/zinc/02/44/64/1055024464.db2.gz YXNIOWGJOXEFBN-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@@H](C)NC[C@H](C)C#N)cc1 ZINC000185574634 1055094129 /nfs/dbraw/zinc/09/41/29/1055094129.db2.gz VEPNCZZEBXKNDG-IAGOWNOFSA-N 0 3 300.446 4.102 20 30 DIEDHN Cc1ccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(C#N)n1 ZINC001236474946 1055133543 /nfs/dbraw/zinc/13/35/43/1055133543.db2.gz NNUPEPGISJWKEK-MOPGFXCFSA-N 0 3 315.420 4.082 20 30 DIEDHN C=CCCC[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001536600539 1055138470 /nfs/dbraw/zinc/13/84/70/1055138470.db2.gz ZYOAEHYRQOVDRV-RBUKOAKNSA-N 0 3 314.473 4.073 20 30 DIEDHN C=CCCC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001536600538 1055138824 /nfs/dbraw/zinc/13/88/24/1055138824.db2.gz ZYOAEHYRQOVDRV-OALUTQOASA-N 0 3 314.473 4.073 20 30 DIEDHN Cc1ccc(CNCc2cccc(-c3ccc(C#N)s3)c2)cn1 ZINC000764976137 1055303783 /nfs/dbraw/zinc/30/37/83/1055303783.db2.gz TYGYRLUYFBJPKP-UHFFFAOYSA-N 0 3 319.433 4.280 20 30 DIEDHN C#Cc1cccc(CN2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)c1 ZINC001237250093 1055410162 /nfs/dbraw/zinc/41/01/62/1055410162.db2.gz RZSJALKFONETNX-AZUAARDMSA-N 0 3 322.839 4.105 20 30 DIEDHN CCCCCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001537815771 1055448052 /nfs/dbraw/zinc/44/80/52/1055448052.db2.gz XVHMBXPJJVUFNY-LPHOPBHVSA-N 0 3 304.478 4.155 20 30 DIEDHN CCCCCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001537815773 1055448179 /nfs/dbraw/zinc/44/81/79/1055448179.db2.gz XVHMBXPJJVUFNY-VQIMIIECSA-N 0 3 304.478 4.155 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237580920 1055477662 /nfs/dbraw/zinc/47/76/62/1055477662.db2.gz ZLXRNNHAFABTJU-UHFFFAOYSA-N 0 3 323.827 4.471 20 30 DIEDHN Cc1cc(C#N)ccc1CN(C)Cc1ccccc1N1CCCC1 ZINC000186158926 1055555586 /nfs/dbraw/zinc/55/55/86/1055555586.db2.gz LFVCOVVPHIHVJC-UHFFFAOYSA-N 0 3 319.452 4.099 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccccc1C1CCOCC1 ZINC001237911265 1055556995 /nfs/dbraw/zinc/55/69/95/1055556995.db2.gz DEBLZYHFUCDWCK-UHFFFAOYSA-N 0 3 320.436 4.084 20 30 DIEDHN CCCN(CCc1ccccn1)Cc1ccc(C#N)cc1Cl ZINC001238086898 1055603682 /nfs/dbraw/zinc/60/36/82/1055603682.db2.gz QIJIRCJTLYOGEP-UHFFFAOYSA-N 0 3 313.832 4.061 20 30 DIEDHN C=CCN(Cc1cncc(OCc2ccccc2)c1)C(C)(C)C ZINC001238367302 1055647021 /nfs/dbraw/zinc/64/70/21/1055647021.db2.gz ALIFUILIYXLXRY-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN C=CCCCCN(C)Cc1cncc(OCc2ccccc2)c1 ZINC001238372447 1055649582 /nfs/dbraw/zinc/64/95/82/1055649582.db2.gz TUQUUBGZLCLQMJ-UHFFFAOYSA-N 0 3 310.441 4.449 20 30 DIEDHN COc1cc(CN2CCC[C@H]2c2cccc(C)c2)ccc1C#N ZINC001238413339 1055653598 /nfs/dbraw/zinc/65/35/98/1055653598.db2.gz NJCZOTFZVXXEPI-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN Cc1cc(CN2CCC(CC#N)CC2)cnc1-c1ccccc1 ZINC001238611417 1055695796 /nfs/dbraw/zinc/69/57/96/1055695796.db2.gz IOZWLYNAYVEQAK-UHFFFAOYSA-N 0 3 305.425 4.183 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OC)c(OCCCC)c2)c1 ZINC001620968644 1055725661 /nfs/dbraw/zinc/72/56/61/1055725661.db2.gz DVPNUCOTQCGVPU-UHFFFAOYSA-N 0 3 323.436 4.145 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccccc1C(F)(F)F ZINC001620755273 1055927526 /nfs/dbraw/zinc/92/75/26/1055927526.db2.gz RBZZUFJVCNDVMK-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(C)ccc32)cc1OC ZINC001620767931 1055937358 /nfs/dbraw/zinc/93/73/58/1055937358.db2.gz PYICQWCDHDHPPP-IBGZPJMESA-N 0 3 323.436 4.346 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC[C@]1(C)c1ccccc1 ZINC001620539627 1055965334 /nfs/dbraw/zinc/96/53/34/1055965334.db2.gz PDBURHQANARUEB-HXUWFJFHSA-N 0 3 306.409 4.078 20 30 DIEDHN C=CCCSCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC001620998387 1055968042 /nfs/dbraw/zinc/96/80/42/1055968042.db2.gz WVSPQJUYQYPCLM-UHFFFAOYSA-N 0 3 305.418 4.485 20 30 DIEDHN C=CCCC[C@@H](NCc1ccnn1CC1CC1)c1ccccc1 ZINC001621048330 1056008696 /nfs/dbraw/zinc/00/86/96/1056008696.db2.gz DVTOONJAAZKZKY-HXUWFJFHSA-N 0 3 309.457 4.480 20 30 DIEDHN CCCCC(=O)C(C#N)C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000131544035 1056098088 /nfs/dbraw/zinc/09/80/88/1056098088.db2.gz RIEHTLKYLIMGPF-CJNGLKHVSA-N 0 3 300.402 4.038 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C#N)cc2C)cc1OC ZINC000186319508 1056101795 /nfs/dbraw/zinc/10/17/95/1056101795.db2.gz IOPOHLWHKCHRSY-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN COCC#CCN[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001168656464 1056445819 /nfs/dbraw/zinc/44/58/19/1056445819.db2.gz CEGBVYJFRJKEJZ-GOSISDBHSA-N 0 3 305.849 4.201 20 30 DIEDHN CC(C)(C)[NH2+]Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240376281 1056460652 /nfs/dbraw/zinc/46/06/52/1056460652.db2.gz KABNQQMNUZXUPE-CIAFOILYSA-N 0 3 300.377 4.189 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000072742229 1056467490 /nfs/dbraw/zinc/46/74/90/1056467490.db2.gz LVKMOWPPHUMOLX-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN N#CCc1ccc(C2=CCCN(Cc3ccccc3)C2)cc1F ZINC001240387253 1056469014 /nfs/dbraw/zinc/46/90/14/1056469014.db2.gz LCXOJHHEMIEWER-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C#CCN(Cc1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 ZINC001615264634 1056483902 /nfs/dbraw/zinc/48/39/02/1056483902.db2.gz CYNXRWHPSLBWNK-JOCHJYFZSA-N 0 3 301.433 4.298 20 30 DIEDHN Cc1ccc([C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)cc1 ZINC001617147704 1056783573 /nfs/dbraw/zinc/78/35/73/1056783573.db2.gz UDGBHBBGMIMTLS-LJQANCHMSA-N 0 3 309.840 4.489 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001617244695 1056800245 /nfs/dbraw/zinc/80/02/45/1056800245.db2.gz IUWCEZBOPLGGEH-QGZVFWFLSA-N 0 3 324.509 4.310 20 30 DIEDHN C=C(C)[C@@H](NCC1(O)CCCCCC1)c1ccc(F)c(F)c1 ZINC001617345931 1056817861 /nfs/dbraw/zinc/81/78/61/1056817861.db2.gz VVCLXQKQNBNSRL-QGZVFWFLSA-N 0 3 309.400 4.257 20 30 DIEDHN N#CCCC[C@@H](NCc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000922145834 1056847454 /nfs/dbraw/zinc/84/74/54/1056847454.db2.gz XDAZPQGQCZJYRD-HXUWFJFHSA-N 0 3 322.456 4.208 20 30 DIEDHN Cc1ccc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)c(C)c1 ZINC001617712356 1056871993 /nfs/dbraw/zinc/87/19/93/1056871993.db2.gz BNRHNFSFHDMNMB-IBGZPJMESA-N 0 3 307.412 4.284 20 30 DIEDHN Cc1ccc2ncc(CN[C@@H](C)c3ccc(C#N)cc3)cc2c1 ZINC001617881481 1056896356 /nfs/dbraw/zinc/89/63/56/1056896356.db2.gz JLXBBQMXXMWTTB-HNNXBMFYSA-N 0 3 301.393 4.266 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973496 1056897982 /nfs/dbraw/zinc/89/79/82/1056897982.db2.gz FIKLSUQTIJYUOM-ZIAGYGMSSA-N 0 3 309.369 4.187 20 30 DIEDHN C=CCC[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657412328 1056952112 /nfs/dbraw/zinc/95/21/12/1056952112.db2.gz CMTAARCIRGQTCI-HNNXBMFYSA-N 0 3 323.362 4.236 20 30 DIEDHN C[C@@H]1c2ccsc2CCN1CCCOc1cccc(C#N)c1 ZINC000315264562 1056957449 /nfs/dbraw/zinc/95/74/49/1056957449.db2.gz DYOBHXBBWUKYDS-CQSZACIVSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000118400118 1057018432 /nfs/dbraw/zinc/01/84/32/1057018432.db2.gz KGSDOMGMCWDFJR-HNNXBMFYSA-N 0 3 324.399 4.302 20 30 DIEDHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093361634 1057037100 /nfs/dbraw/zinc/03/71/00/1057037100.db2.gz JVKZZCNAGNJAFD-FQEVSTJZSA-N 0 3 318.424 4.035 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cccc(OC(C)C)c2)cc1C#N ZINC000124961297 1057053251 /nfs/dbraw/zinc/05/32/51/1057053251.db2.gz CBGQTUOYWBJPDK-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN COc1ccc(C2=CCN(Cc3ccccc3)CC2)c(CC#N)c1 ZINC001241505021 1057074892 /nfs/dbraw/zinc/07/48/92/1057074892.db2.gz LEEMYOLTOHWFNL-UHFFFAOYSA-N 0 3 318.420 4.051 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)C2CCC2)cc1 ZINC000922888654 1057089763 /nfs/dbraw/zinc/08/97/63/1057089763.db2.gz MRVUCAKHKQITAL-FQEVSTJZSA-N 0 3 324.399 4.337 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017400 1057106799 /nfs/dbraw/zinc/10/67/99/1057106799.db2.gz BICLMSPZKNWMJH-WMLDXEAASA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019259 1057113781 /nfs/dbraw/zinc/11/37/81/1057113781.db2.gz LFCNEFDSOXXGRD-QZTJIDSGSA-N 0 3 311.385 4.348 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2cc3ccsc3[nH]2)n1 ZINC000673813664 1057134690 /nfs/dbraw/zinc/13/46/90/1057134690.db2.gz GCYKIYIOAJHEMH-JTQLQIEISA-N 0 3 315.423 4.299 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2cc3ccsc3[nH]2)n1 ZINC000673813665 1057134916 /nfs/dbraw/zinc/13/49/16/1057134916.db2.gz GCYKIYIOAJHEMH-SNVBAGLBSA-N 0 3 315.423 4.299 20 30 DIEDHN [O-]N=Cc1ccccc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241760323 1057159408 /nfs/dbraw/zinc/15/94/08/1057159408.db2.gz CXDZQYOIPDZBQC-UHFFFAOYSA-N 0 3 324.424 4.026 20 30 DIEDHN C=C(C)CCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC001128771625 1057265304 /nfs/dbraw/zinc/26/53/04/1057265304.db2.gz MQBVLCAHLYDKPX-QGZVFWFLSA-N 0 3 322.880 4.195 20 30 DIEDHN CC(C)COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174430694 1057361385 /nfs/dbraw/zinc/36/13/85/1057361385.db2.gz PTRNNMBUXCKCHL-INIZCTEOSA-N 0 3 308.425 4.444 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000174431429 1057361831 /nfs/dbraw/zinc/36/18/31/1057361831.db2.gz SGCCCVBEALDJMD-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN CCCN1CCCC[C@H]1c1ccc(C2=CC(=O)C[C@H](C)C2)nc1 ZINC001242739500 1057464491 /nfs/dbraw/zinc/46/44/91/1057464491.db2.gz DNRDGLNGEFWWOX-QRWLVFNGSA-N 0 3 312.457 4.401 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccccc32)cc1OC ZINC000073052583 1057506740 /nfs/dbraw/zinc/50/67/40/1057506740.db2.gz MIXQCCDIHUPAIO-GOSISDBHSA-N 0 3 309.409 4.037 20 30 DIEDHN C=CCC1(NCc2nc(-c3cccs3)no2)CCCCC1 ZINC000625936999 1057539838 /nfs/dbraw/zinc/53/98/38/1057539838.db2.gz GMRANJYGNKJSQT-UHFFFAOYSA-N 0 3 303.431 4.167 20 30 DIEDHN CCC(CC)CN(CCC#N)C[C@H]1CCOc2ccccc21 ZINC000611268801 1057587367 /nfs/dbraw/zinc/58/73/67/1057587367.db2.gz DKRITHVZIXCTKB-QGZVFWFLSA-N 0 3 300.446 4.205 20 30 DIEDHN CCN(Cc1n[nH]c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256402 1057587443 /nfs/dbraw/zinc/58/74/43/1057587443.db2.gz HCFQWVCEDUDHQO-AWEZNQCLSA-N 0 3 304.397 4.018 20 30 DIEDHN CCN(Cc1[nH]nc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256402 1057587447 /nfs/dbraw/zinc/58/74/47/1057587447.db2.gz HCFQWVCEDUDHQO-AWEZNQCLSA-N 0 3 304.397 4.018 20 30 DIEDHN CCN(Cc1n[nH]c2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000611256403 1057587876 /nfs/dbraw/zinc/58/78/76/1057587876.db2.gz HCFQWVCEDUDHQO-CQSZACIVSA-N 0 3 304.397 4.018 20 30 DIEDHN CCN(Cc1[nH]nc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000611256403 1057587882 /nfs/dbraw/zinc/58/78/82/1057587882.db2.gz HCFQWVCEDUDHQO-CQSZACIVSA-N 0 3 304.397 4.018 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000611395481 1057596300 /nfs/dbraw/zinc/59/63/00/1057596300.db2.gz DEMRTARPNGDOOH-IBGZPJMESA-N 0 3 306.409 4.198 20 30 DIEDHN CCc1cnccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395091 1057596521 /nfs/dbraw/zinc/59/65/21/1057596521.db2.gz LGHWDWNSCPYXNM-VBKZILBWSA-N 0 3 305.425 4.244 20 30 DIEDHN CC[NH+](CC)Cc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001243335222 1057650674 /nfs/dbraw/zinc/65/06/74/1057650674.db2.gz DNDFLRMTZACYST-UDWIEESQSA-N 0 3 300.377 4.143 20 30 DIEDHN CCCCCCCCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000732159394 1057768750 /nfs/dbraw/zinc/76/87/50/1057768750.db2.gz HOSLYIRMBKHIMD-GOSISDBHSA-N 0 3 308.510 4.070 20 30 DIEDHN CC[C@@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000732901142 1057791797 /nfs/dbraw/zinc/79/17/97/1057791797.db2.gz KBDYHPHCCNOCBZ-HOTGVXAUSA-N 0 3 318.376 4.273 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC001517064394 1058225263 /nfs/dbraw/zinc/22/52/63/1058225263.db2.gz KAZGFZXATYKAGD-QAPCUYQASA-N 0 3 323.440 4.396 20 30 DIEDHN N#CC(C(=O)CC1=CCCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517127290 1058229735 /nfs/dbraw/zinc/22/97/35/1058229735.db2.gz ZNOQEBVWMGVMAA-GFCCVEGCSA-N 0 3 313.788 4.283 20 30 DIEDHN CC(C)P(CCNC(=S)Nc1ccc(C#N)cc1)C(C)C ZINC001245955488 1058648518 /nfs/dbraw/zinc/64/85/18/1058648518.db2.gz HGPZOFVNXLMUDH-UHFFFAOYSA-N 0 3 321.430 4.143 20 30 DIEDHN N#Cc1c(F)cccc1S[C@H]1CCN(Cc2ccccc2)C1 ZINC001559419018 1059221932 /nfs/dbraw/zinc/22/19/32/1059221932.db2.gz RMBWFWQNJHUNIX-HNNXBMFYSA-N 0 3 312.413 4.064 20 30 DIEDHN C#CCN(Cc1ccc(C)c(OC)c1)[C@H]1CCc2ccccc21 ZINC001559499518 1059281743 /nfs/dbraw/zinc/28/17/43/1059281743.db2.gz WILISRQBGGSUHN-FQEVSTJZSA-N 0 3 305.421 4.126 20 30 DIEDHN CCN(CC#Cc1ccccc1Cl)CCc1cccs1 ZINC001559501415 1059289370 /nfs/dbraw/zinc/28/93/70/1059289370.db2.gz IOZAIKXGOVOPJF-UHFFFAOYSA-N 0 3 303.858 4.318 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001531541246 1059351002 /nfs/dbraw/zinc/35/10/02/1059351002.db2.gz XVQVERBSQMZVPY-ZWKOTPCHSA-N 0 3 310.526 4.316 20 30 DIEDHN CCCN(CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001559574398 1059406092 /nfs/dbraw/zinc/40/60/92/1059406092.db2.gz YOUZLYMECGBEQG-IAGOWNOFSA-N 0 3 304.478 4.130 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001559740961 1059575942 /nfs/dbraw/zinc/57/59/42/1059575942.db2.gz UTUFXMLDHQILGD-KRWDZBQOSA-N 0 3 324.509 4.454 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767133 1059604058 /nfs/dbraw/zinc/60/40/58/1059604058.db2.gz SWRNEPBRMLOGLG-RTBURBONSA-N 0 3 317.379 4.214 20 30 DIEDHN C#CC1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001559938566 1059753364 /nfs/dbraw/zinc/75/33/64/1059753364.db2.gz MVGCSGALVKTKPV-UHFFFAOYSA-N 0 3 309.384 4.463 20 30 DIEDHN C=CC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001559982940 1059787114 /nfs/dbraw/zinc/78/71/14/1059787114.db2.gz ANZRQHLMOPFQPJ-MRXNPFEDSA-N 0 3 323.358 4.225 20 30 DIEDHN CC(C)Oc1cc(CN2CCC(S)CC2)cc(OC(C)C)c1 ZINC001248660518 1059928395 /nfs/dbraw/zinc/92/83/95/1059928395.db2.gz TVDGFORCOBWRPV-UHFFFAOYSA-N 0 3 323.502 4.155 20 30 DIEDHN C[C@@H](CN(C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001560127753 1059931702 /nfs/dbraw/zinc/93/17/02/1059931702.db2.gz VNOKMRHENVACQO-LBPRGKRZSA-N 0 3 323.278 4.435 20 30 DIEDHN N#Cc1ccc(CN2CCCC[C@H]2CC2(O)CCCCC2)s1 ZINC001560135661 1059939630 /nfs/dbraw/zinc/93/96/30/1059939630.db2.gz XWBNKWVBJHVQKC-HNNXBMFYSA-N 0 3 318.486 4.060 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cccc(Oc3ccccc3OC)c2)C1 ZINC001248759991 1059969620 /nfs/dbraw/zinc/96/96/20/1059969620.db2.gz ZDUQETYVCPRSIJ-QGZVFWFLSA-N 0 3 321.420 4.333 20 30 DIEDHN C=CCCCN(CC)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001560204290 1059985881 /nfs/dbraw/zinc/98/58/81/1059985881.db2.gz FRHIGVDNWGBJMM-MRXNPFEDSA-N 0 3 320.452 4.023 20 30 DIEDHN C=CCc1cc(CN[C@@H]2CCc3cc(C)ccc32)cc(OC)c1O ZINC001560310172 1060096988 /nfs/dbraw/zinc/09/69/88/1060096988.db2.gz NDZCCXIJAWKCCC-LJQANCHMSA-N 0 3 323.436 4.215 20 30 DIEDHN CCN(Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(OC)cc1 ZINC001249430129 1060249562 /nfs/dbraw/zinc/24/95/62/1060249562.db2.gz FJEYOUDOZXRLIB-UHFFFAOYSA-N 0 3 319.408 4.070 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC)c(OCCCC)c2)cc1 ZINC001560478287 1060268781 /nfs/dbraw/zinc/26/87/81/1060268781.db2.gz QZMKUBMIGSPCJB-UHFFFAOYSA-N 0 3 323.436 4.145 20 30 DIEDHN C#Cc1cccc(CNCc2c(OC)ccc3ccccc32)c1 ZINC001560503169 1060299174 /nfs/dbraw/zinc/29/91/74/1060299174.db2.gz DLLXBGBXOQASRE-UHFFFAOYSA-N 0 3 301.389 4.120 20 30 DIEDHN CSCc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC001560531104 1060332494 /nfs/dbraw/zinc/33/24/94/1060332494.db2.gz SVAKVOXENYPSCQ-UHFFFAOYSA-N 0 3 310.466 4.446 20 30 DIEDHN CCO[C@@H]1C[C@@H](N(C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668212 1060496677 /nfs/dbraw/zinc/49/66/77/1060496677.db2.gz DQOYXEYXXBSFNY-IAGOWNOFSA-N 0 3 318.486 4.179 20 30 DIEDHN C[C@H](CCC#N)CN(C)[C@@H](C)c1ccccc1Br ZINC001560671479 1060502930 /nfs/dbraw/zinc/50/29/30/1060502930.db2.gz GFRHPIKWEUTYQW-OLZOCXBDSA-N 0 3 309.251 4.382 20 30 DIEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCOc2ccccc21 ZINC001560682595 1060527049 /nfs/dbraw/zinc/52/70/49/1060527049.db2.gz GDFFMWCSOZBIIH-INIZCTEOSA-N 0 3 311.400 4.380 20 30 DIEDHN C#C[C@H](C)N(C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001560792996 1060650883 /nfs/dbraw/zinc/65/08/83/1060650883.db2.gz BOYKILTYMANAAU-MZEUMTGBSA-N 0 3 305.421 4.232 20 30 DIEDHN C#C[C@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865267 1060726434 /nfs/dbraw/zinc/72/64/34/1060726434.db2.gz VGAHDQUNVDZZAW-YJBOKZPZSA-N 0 3 320.823 4.253 20 30 DIEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001560947801 1060813010 /nfs/dbraw/zinc/81/30/10/1060813010.db2.gz HWHQEJPUDWVJHC-ZDUSSCGKSA-N 0 3 307.459 4.101 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001560947800 1060815388 /nfs/dbraw/zinc/81/53/88/1060815388.db2.gz HWHQEJPUDWVJHC-CYBMUJFWSA-N 0 3 307.459 4.101 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC001560997156 1060855426 /nfs/dbraw/zinc/85/54/26/1060855426.db2.gz MHGJOYYVHKEIIL-INIZCTEOSA-N 0 3 310.363 4.262 20 30 DIEDHN C=C(C)CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473208544 1060974297 /nfs/dbraw/zinc/97/42/97/1060974297.db2.gz QYZDGEHFATUPDU-CYBMUJFWSA-N 0 3 300.229 4.413 20 30 DIEDHN C#C[C@@H](CC)NCc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001462222346 1061038102 /nfs/dbraw/zinc/03/81/02/1061038102.db2.gz NHUBPASHHVGAOU-SFHVURJKSA-N 0 3 307.441 4.167 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1C[C@H](C(C)C)[C@H]1C(C)C ZINC001462237180 1061049265 /nfs/dbraw/zinc/04/92/65/1061049265.db2.gz ZXWVIRCPVWRSGP-DNVCBOLYSA-N 0 3 319.876 4.464 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1C[C@@H](C(C)C)[C@H]1C(C)C ZINC001462237181 1061049618 /nfs/dbraw/zinc/04/96/18/1061049618.db2.gz ZXWVIRCPVWRSGP-HNAYVOBHSA-N 0 3 319.876 4.464 20 30 DIEDHN C#C[C@@H](N[C@@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275721 1061068769 /nfs/dbraw/zinc/06/87/69/1061068769.db2.gz HBLKGJQMWPYNIO-UYAOXDASSA-N 0 3 323.411 4.046 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001473316771 1061082951 /nfs/dbraw/zinc/08/29/51/1061082951.db2.gz XAMKXBWBACDGMP-HOSYDEDBSA-N 0 3 314.763 4.284 20 30 DIEDHN CN(Cc1cccc(F)c1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001462337026 1061112090 /nfs/dbraw/zinc/11/20/90/1061112090.db2.gz XMNDIMTXSAOXHB-FXAWDEMLSA-N 0 3 308.400 4.465 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001455763358 1061235341 /nfs/dbraw/zinc/23/53/41/1061235341.db2.gz WOMOVLLLZZIDEH-FGTMMUONSA-N 0 3 308.510 4.068 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462526899 1061237638 /nfs/dbraw/zinc/23/76/38/1061237638.db2.gz XXGUOYODGYTGNB-OGWOLHLISA-N 0 3 322.456 4.466 20 30 DIEDHN C=C(C)c1cccc(NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001462651468 1061319274 /nfs/dbraw/zinc/31/92/74/1061319274.db2.gz ZVIWUFUBNSSUPW-UHFFFAOYSA-N 0 3 314.473 4.165 20 30 DIEDHN C[C@@H]1c2sccc2CCN1CCCOc1cccc(C#N)c1 ZINC001473763393 1061399931 /nfs/dbraw/zinc/39/99/31/1061399931.db2.gz YXFGXCBLHUYPFB-CQSZACIVSA-N 0 3 312.438 4.008 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473854719 1061433958 /nfs/dbraw/zinc/43/39/58/1061433958.db2.gz MPAMMTDBJZVDEO-MRXNPFEDSA-N 0 3 318.417 4.313 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC001473857557 1061437442 /nfs/dbraw/zinc/43/74/42/1061437442.db2.gz WKCNFJNBALMDBR-HNNXBMFYSA-N 0 3 306.356 4.090 20 30 DIEDHN CCCCCCCC[C@H](CO)NCC#Cc1ccccc1Cl ZINC001473874094 1061445868 /nfs/dbraw/zinc/44/58/68/1061445868.db2.gz SIDLPDOELOCWAD-GOSISDBHSA-N 0 3 321.892 4.393 20 30 DIEDHN CN(CC#Cc1cccc(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC001473881514 1061447737 /nfs/dbraw/zinc/44/77/37/1061447737.db2.gz UAMXPBZGSCVSQJ-FQEVSTJZSA-N 0 3 309.840 4.181 20 30 DIEDHN N#Cc1cccc(CNCc2cc3ccnc(Cl)c3s2)c1 ZINC001473926807 1061474717 /nfs/dbraw/zinc/47/47/17/1061474717.db2.gz KBMNCUXIOCWXIC-UHFFFAOYSA-N 0 3 313.813 4.111 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccncc1 ZINC001474007737 1061550119 /nfs/dbraw/zinc/55/01/19/1061550119.db2.gz NNKYCOOLFNWBBF-QGZVFWFLSA-N 0 3 318.367 4.133 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C)c(F)c1 ZINC001474090331 1061637482 /nfs/dbraw/zinc/63/74/82/1061637482.db2.gz PDPBJIDLJRYHKW-GOSISDBHSA-N 0 3 312.388 4.255 20 30 DIEDHN CCc1ccc2c(c1)[C@H](NCc1c(C)cc(C#N)cc1C)CCO2 ZINC001474105052 1061652743 /nfs/dbraw/zinc/65/27/43/1061652743.db2.gz ORSFKBHYULCZRB-HXUWFJFHSA-N 0 3 320.436 4.351 20 30 DIEDHN C=C[C@H](COC)NCc1ccc(N(CC)c2ccccc2)cc1 ZINC001474120177 1061668991 /nfs/dbraw/zinc/66/89/91/1061668991.db2.gz IYBLGYMSYZXTQR-GOSISDBHSA-N 0 3 310.441 4.135 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2ccc(C)cc21 ZINC001474163569 1061708190 /nfs/dbraw/zinc/70/81/90/1061708190.db2.gz ZIYGEVAZWJDTLS-HXUWFJFHSA-N 0 3 305.421 4.174 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nccc(C)c1Br ZINC001474207953 1061763411 /nfs/dbraw/zinc/76/34/11/1061763411.db2.gz MELCNXNQWAWSNE-ZIAGYGMSSA-N 0 3 323.278 4.377 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cc(C)ccn1 ZINC001252979886 1061770836 /nfs/dbraw/zinc/77/08/36/1061770836.db2.gz HJMMDZRVHYHHTL-IBGZPJMESA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@H](O)CN1CCN(C2CCC2)CC1 ZINC001252980855 1061773608 /nfs/dbraw/zinc/77/36/08/1061773608.db2.gz ZUDLINOTBKWMDZ-FQEVSTJZSA-N 0 3 324.553 4.048 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cncc(F)c1 ZINC001252984855 1061775491 /nfs/dbraw/zinc/77/54/91/1061775491.db2.gz AXWOWKGFXAQNCZ-SFHVURJKSA-N 0 3 310.457 4.202 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H](C)c1nc2ccccc2[nH]1 ZINC001253245634 1061847029 /nfs/dbraw/zinc/84/70/29/1061847029.db2.gz ADJTYDRZUBFPOS-CVEARBPZSA-N 0 3 315.461 4.101 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H]1CCOc2ccc(F)cc21 ZINC001253247473 1061852073 /nfs/dbraw/zinc/85/20/73/1061852073.db2.gz ZNPYDQFNHCKRSF-SJLPKXTDSA-N 0 3 321.436 4.126 20 30 DIEDHN COc1ccc(C[C@@H](C)CN(CCC#N)CC(C)(C)C)cc1F ZINC001474339924 1061936300 /nfs/dbraw/zinc/93/63/00/1061936300.db2.gz RGRZTMREMDVBSR-OAHLLOKOSA-N 0 3 320.452 4.275 20 30 DIEDHN N#Cc1cc(CN2CCCC[C@H]2Cc2ccc(F)cc2)cs1 ZINC001474367633 1062003403 /nfs/dbraw/zinc/00/34/03/1062003403.db2.gz JJOSOAMQSVOMPO-KRWDZBQOSA-N 0 3 314.429 4.356 20 30 DIEDHN CN(Cc1cc2c(cccc2O)s1)Cc1cccc(C#N)c1 ZINC001474401938 1062057173 /nfs/dbraw/zinc/05/71/73/1062057173.db2.gz YXUBRQVFNUGLAF-UHFFFAOYSA-N 0 3 308.406 4.111 20 30 DIEDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482749 1062160429 /nfs/dbraw/zinc/16/04/29/1062160429.db2.gz HIYZRRXDSMXKPG-CRAIPNDOSA-N 0 3 308.400 4.384 20 30 DIEDHN CC[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001459496248 1062168906 /nfs/dbraw/zinc/16/89/06/1062168906.db2.gz YYTGKZIWMRYHKO-ZDUSSCGKSA-N 0 3 308.372 4.172 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CCCN(C)C[C@@H]1CC ZINC001467644703 1062171548 /nfs/dbraw/zinc/17/15/48/1062171548.db2.gz OSMKOVUZBXTISO-ROUUACIJSA-N 0 3 310.526 4.316 20 30 DIEDHN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC001474585534 1062295680 /nfs/dbraw/zinc/29/56/80/1062295680.db2.gz WBTZJIYESONVRX-HNNXBMFYSA-N 0 3 310.363 4.310 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018808 1062301757 /nfs/dbraw/zinc/30/17/57/1062301757.db2.gz KXOHIINOJAHXRR-LPHOPBHVSA-N 0 3 311.425 4.117 20 30 DIEDHN CC[C@H](CC#N)NCC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001255160244 1062345403 /nfs/dbraw/zinc/34/54/03/1062345403.db2.gz GDEWCQADBGMFNF-MRXNPFEDSA-N 0 3 321.415 4.102 20 30 DIEDHN CC[C@@H](CC#N)NCC1c2ccccc2CCc2ccccc21 ZINC001255158841 1062345637 /nfs/dbraw/zinc/34/56/37/1062345637.db2.gz NNFASQATFOYBCC-SFHVURJKSA-N 0 3 304.437 4.199 20 30 DIEDHN CC[C@H](CC#N)NCC1c2ccccc2CCc2ccccc21 ZINC001255158835 1062346737 /nfs/dbraw/zinc/34/67/37/1062346737.db2.gz NNFASQATFOYBCC-GOSISDBHSA-N 0 3 304.437 4.199 20 30 DIEDHN CC[C@@H](CC#N)NC1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001255162753 1062350602 /nfs/dbraw/zinc/35/06/02/1062350602.db2.gz YCMJTWDWGDVMMK-HNNXBMFYSA-N 0 3 310.363 4.452 20 30 DIEDHN CCC#C[C@@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001459749157 1062357326 /nfs/dbraw/zinc/35/73/26/1062357326.db2.gz WFFVTKMYEGARQS-CABCVRRESA-N 0 3 302.487 4.003 20 30 DIEDHN C[C@@H](CCc1ccc(F)cc1F)NCC1(C#N)CCCCC1 ZINC001474631967 1062358610 /nfs/dbraw/zinc/35/86/10/1062358610.db2.gz QGNRABHYJDSZAV-AWEZNQCLSA-N 0 3 306.400 4.350 20 30 DIEDHN CCC#C[C@@H](C)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760473 1062372172 /nfs/dbraw/zinc/37/21/72/1062372172.db2.gz MSZVOUVZNZBLHA-OCCSQVGLSA-N 0 3 312.240 4.248 20 30 DIEDHN C=CCOCCN1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001459788478 1062399538 /nfs/dbraw/zinc/39/95/38/1062399538.db2.gz UADWVFXZFATSKU-PGRDOPGGSA-N 0 3 321.464 4.268 20 30 DIEDHN C=CCOCCN1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001459788480 1062399851 /nfs/dbraw/zinc/39/98/51/1062399851.db2.gz UADWVFXZFATSKU-XMSQKQJNSA-N 0 3 321.464 4.268 20 30 DIEDHN C[C@@H](N[C@@H](C)CCC#N)c1cc(Cl)ccc1OC(F)F ZINC001459824050 1062428023 /nfs/dbraw/zinc/42/80/23/1062428023.db2.gz GBJCAHPWGGMTHS-VHSXEESVSA-N 0 3 302.752 4.284 20 30 DIEDHN CC1(C)CCC[C@H](CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001474727450 1062450245 /nfs/dbraw/zinc/45/02/45/1062450245.db2.gz DECMOWOPWDISRY-HKUYNNGSSA-N 0 3 312.457 4.148 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC001459929580 1062499837 /nfs/dbraw/zinc/49/98/37/1062499837.db2.gz FBBQGPIBEOITOK-HIFRSBDPSA-N 0 3 310.363 4.338 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980804 1062539852 /nfs/dbraw/zinc/53/98/52/1062539852.db2.gz QZBCDAHOLZEKHI-WMLDXEAASA-N 0 3 307.384 4.273 20 30 DIEDHN C[C@H](CSc1ccc(F)cc1)NCc1csc(C#N)c1 ZINC001255734743 1062556561 /nfs/dbraw/zinc/55/65/61/1062556561.db2.gz STFGDYDYYAGMFU-LLVKDONJSA-N 0 3 306.431 4.029 20 30 DIEDHN COC[C@H](NCCC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC001460024343 1062577847 /nfs/dbraw/zinc/57/78/47/1062577847.db2.gz IQAOPUTXCVOCDD-KRWDZBQOSA-N 0 3 320.864 4.481 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccc(C#N)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460032162 1062586290 /nfs/dbraw/zinc/58/62/90/1062586290.db2.gz LCUKRHYPGJSSOU-KRWDZBQOSA-N 0 3 313.401 4.033 20 30 DIEDHN C[C@H](Cc1ccccc1F)N1CCC(C#N)(c2ccccc2)CC1 ZINC001255842437 1062629229 /nfs/dbraw/zinc/62/92/29/1062629229.db2.gz SFIMKARBJXTMTG-QGZVFWFLSA-N 0 3 322.427 4.314 20 30 DIEDHN C[C@H](NCc1cncc(C#N)c1)c1ccc(F)c2ccccc21 ZINC001460175265 1062678345 /nfs/dbraw/zinc/67/83/45/1062678345.db2.gz MGSGZYPFJUJBDL-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C1(C)C ZINC001460225817 1062708837 /nfs/dbraw/zinc/70/88/37/1062708837.db2.gz HUPHEAPMVFAWMN-JKSUJKDBSA-N 0 3 320.864 4.283 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC001470297613 1062747091 /nfs/dbraw/zinc/74/70/91/1062747091.db2.gz PMEOOUJHQDVRTC-ROUUACIJSA-N 0 3 310.526 4.220 20 30 DIEDHN CCCN(CCC#N)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256226572 1062753455 /nfs/dbraw/zinc/75/34/55/1062753455.db2.gz PGXGGAJGCAZSPS-AWEZNQCLSA-N 0 3 323.278 4.396 20 30 DIEDHN C=CCC1(NCc2nc(-c3ccc(F)c(C)c3)no2)CCCC1 ZINC001460460278 1062865533 /nfs/dbraw/zinc/86/55/33/1062865533.db2.gz ZMHWRNQDZGLBNO-UHFFFAOYSA-N 0 3 315.392 4.163 20 30 DIEDHN Cc1cc(F)ccc1CN1CCC(Nc2ccccc2C#N)CC1 ZINC001460548262 1062906337 /nfs/dbraw/zinc/90/63/37/1062906337.db2.gz ULNXBHJLYBEONK-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN CC(C)(C#N)CCN(Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001460630430 1062949215 /nfs/dbraw/zinc/94/92/15/1062949215.db2.gz DXIGVZRAARUNAN-HXUWFJFHSA-N 0 3 322.452 4.162 20 30 DIEDHN N#Cc1ccc(C2CCC(NCC(=O)c3ccccc3)CC2)cc1 ZINC001257010566 1063079120 /nfs/dbraw/zinc/07/91/20/1063079120.db2.gz CUDCEXFVEJYIKU-UHFFFAOYSA-N 0 3 318.420 4.057 20 30 DIEDHN CN(CCCSCc1ccccc1)Cc1cc(C#N)cs1 ZINC001460851295 1063101364 /nfs/dbraw/zinc/10/13/64/1063101364.db2.gz SDKVMFLOFWCRFW-UHFFFAOYSA-N 0 3 316.495 4.375 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001460946167 1063152024 /nfs/dbraw/zinc/15/20/24/1063152024.db2.gz HVJCIQLBQHMZQG-OXJNMPFZSA-N 0 3 306.409 4.083 20 30 DIEDHN Cc1ccc(CN2CC[C@@H](Nc3cc(C)cc(F)c3C#N)C2)cc1 ZINC001472859228 1063287585 /nfs/dbraw/zinc/28/75/85/1063287585.db2.gz CUEYZUVRJSAWLJ-QGZVFWFLSA-N 0 3 323.415 4.001 20 30 DIEDHN C#CCN(Cc1ccc(Br)s1)C1CCCCC1 ZINC001473137205 1063444582 /nfs/dbraw/zinc/44/45/82/1063444582.db2.gz QPBBCGBFATZFTH-UHFFFAOYSA-N 0 3 312.276 4.279 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](CC)c2ccc(F)cc2)cc1 ZINC001461385447 1063464389 /nfs/dbraw/zinc/46/43/89/1063464389.db2.gz ZCORDRGFAPZHCV-HXUWFJFHSA-N 0 3 311.400 4.469 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cn(CC(F)(F)F)cn1 ZINC001258043363 1063475509 /nfs/dbraw/zinc/47/55/09/1063475509.db2.gz NSWDYBDBJBISSL-ZDUSSCGKSA-N 0 3 305.388 4.284 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cc(OCC2CC2)ncn1 ZINC001258043622 1063477395 /nfs/dbraw/zinc/47/73/95/1063477395.db2.gz QJOVNDYSHWRCQE-OAHLLOKOSA-N 0 3 305.466 4.104 20 30 DIEDHN CCCCCCC[C@H](C)N1CCCN(C(=O)c2ccco2)CC1 ZINC001258049970 1063482286 /nfs/dbraw/zinc/48/22/86/1063482286.db2.gz QQQDBALPBAPEEF-KRWDZBQOSA-N 0 3 320.477 4.177 20 30 DIEDHN CCCCCCCCCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC001461475008 1063529186 /nfs/dbraw/zinc/52/91/86/1063529186.db2.gz KLCFMVBPEWDFRB-LJQANCHMSA-N 0 3 308.510 4.118 20 30 DIEDHN CCCCCCCCC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258228008 1063569330 /nfs/dbraw/zinc/56/93/30/1063569330.db2.gz CAQZDWXIVQJFFL-XHSDSOJGSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCCCC[C@@H](C)n1cnc(CN)c1C(=O)OCC ZINC001258230541 1063571805 /nfs/dbraw/zinc/57/18/05/1063571805.db2.gz XTSVYEUHCPECCS-OAHLLOKOSA-N 0 3 323.481 4.220 20 30 DIEDHN CCCCCCCCC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001258232301 1063572498 /nfs/dbraw/zinc/57/24/98/1063572498.db2.gz JDZLNEHCRYWLSQ-KRWDZBQOSA-N 0 3 322.493 4.294 20 30 DIEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc2sccc2c1 ZINC001461553859 1063577997 /nfs/dbraw/zinc/57/79/97/1063577997.db2.gz LUDHVXDZWMOKAX-UHFFFAOYSA-N 0 3 321.449 4.129 20 30 DIEDHN CCCCN(CCC#N)C1CCN(c2ccccc2Cl)CC1 ZINC001258544377 1063691134 /nfs/dbraw/zinc/69/11/34/1063691134.db2.gz RASMGVKJUJGVNN-UHFFFAOYSA-N 0 3 319.880 4.325 20 30 DIEDHN C#CCCCCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001461921920 1063805512 /nfs/dbraw/zinc/80/55/12/1063805512.db2.gz LABORFMJMJRQHK-UHFFFAOYSA-N 0 3 304.865 4.046 20 30 DIEDHN N#Cc1cc(CN2CCC(c3cc4ccccc4[nH]3)CC2)cs1 ZINC001461968178 1063847643 /nfs/dbraw/zinc/84/76/43/1063847643.db2.gz FGDOUVLWYJWQPS-UHFFFAOYSA-N 0 3 321.449 4.481 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001461994458 1063865443 /nfs/dbraw/zinc/86/54/43/1063865443.db2.gz CBDHPDRACJJNLJ-FQEVSTJZSA-N 0 3 323.436 4.139 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001462021480 1063884498 /nfs/dbraw/zinc/88/44/98/1063884498.db2.gz WJNMBYBCKOPWKP-UHFFFAOYSA-N 0 3 319.326 4.199 20 30 DIEDHN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccc1F ZINC001261244753 1063914062 /nfs/dbraw/zinc/91/40/62/1063914062.db2.gz BVARBJVZMMEYPF-SFHVURJKSA-N 0 3 312.388 4.359 20 30 DIEDHN Cc1cc2c(cc1F)nc1c(c2N2CCC(C#N)CC2)CCCC1 ZINC001261451940 1063927151 /nfs/dbraw/zinc/92/71/51/1063927151.db2.gz NXVTXFRYGPHHOG-UHFFFAOYSA-N 0 3 323.415 4.301 20 30 DIEDHN Cn1ccnc1C(C#N)C(=O)C1(C2CCCCC2)CCCCC1 ZINC001263331875 1063982828 /nfs/dbraw/zinc/98/28/28/1063982828.db2.gz AYKRSXGGSNNICX-INIZCTEOSA-N 0 3 313.445 4.127 20 30 DIEDHN C=CCC1(C(=O)N(CCC)CCN2CCCCC2)CCCCC1 ZINC001297733737 1064988285 /nfs/dbraw/zinc/98/82/85/1064988285.db2.gz NEZDRJYNAHIMDT-UHFFFAOYSA-N 0 3 320.521 4.238 20 30 DIEDHN COc1ccc(CN(C)CCC2(C#N)CCCCC2)cc1C ZINC001307456933 1065411235 /nfs/dbraw/zinc/41/12/35/1065411235.db2.gz ZGCNOVYHTGMQHZ-UHFFFAOYSA-N 0 3 300.446 4.300 20 30 DIEDHN C[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC001307488570 1065432262 /nfs/dbraw/zinc/43/22/62/1065432262.db2.gz DDAAKGMWZZWEHY-KGLIPLIRSA-N 0 3 311.347 4.057 20 30 DIEDHN Clc1ccc(C#CCN2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001307489222 1065434992 /nfs/dbraw/zinc/43/49/92/1065434992.db2.gz HMQPLNCKZFXZDC-LJQANCHMSA-N 0 3 309.840 4.256 20 30 DIEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503457 1065447005 /nfs/dbraw/zinc/44/70/05/1065447005.db2.gz ORCPHFZQEDPFND-IAGOWNOFSA-N 0 3 318.486 4.179 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCCC[C@@H]1c1cccn1C ZINC001307524722 1065462851 /nfs/dbraw/zinc/46/28/51/1065462851.db2.gz WSFBZZSSNAPGBC-HXUWFJFHSA-N 0 3 307.441 4.241 20 30 DIEDHN CN(CCOC(C)(C)C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001307580795 1065493724 /nfs/dbraw/zinc/49/37/24/1065493724.db2.gz GPAYVQRIUTXEGC-UHFFFAOYSA-N 0 3 322.452 4.472 20 30 DIEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(C)c(F)c1 ZINC001307644694 1065536429 /nfs/dbraw/zinc/53/64/29/1065536429.db2.gz QZYKQUJGUOFAHT-GOSISDBHSA-N 0 3 300.352 4.386 20 30 DIEDHN CCCCCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001307704730 1065575494 /nfs/dbraw/zinc/57/54/94/1065575494.db2.gz FBEGFYVJLSJGLC-IYBDPMFKSA-N 0 3 312.498 4.287 20 30 DIEDHN CCOCCN(Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC001307998093 1065716202 /nfs/dbraw/zinc/71/62/02/1065716202.db2.gz YLSZFHFMFPMDKW-OAQYLSRUSA-N 0 3 320.436 4.084 20 30 DIEDHN C=CCCC[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC001308041462 1065738373 /nfs/dbraw/zinc/73/83/73/1065738373.db2.gz UQBYXMUPZPCKHV-SFHVURJKSA-N 0 3 323.440 4.247 20 30 DIEDHN N#Cc1ccccc1OCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC001308119737 1065770094 /nfs/dbraw/zinc/77/00/94/1065770094.db2.gz FGSXVMDICXUYSA-SJFMBGHLSA-N 0 3 318.420 4.115 20 30 DIEDHN N#CC1(CCN2CCO[C@@H](c3ccccc3)CC2)CCCCC1 ZINC001308159163 1065785550 /nfs/dbraw/zinc/78/55/50/1065785550.db2.gz AZRRDBZQZJOHCG-LJQANCHMSA-N 0 3 312.457 4.314 20 30 DIEDHN C=CC[C@@H]1CC[C@@H](NCc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209967 1065816980 /nfs/dbraw/zinc/81/69/80/1065816980.db2.gz OYRITKMCUJJRTB-IAGOWNOFSA-N 0 3 321.468 4.195 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@H]1C1CCCCC1 ZINC001308296285 1065892802 /nfs/dbraw/zinc/89/28/02/1065892802.db2.gz XWWRYGGBTILYKA-YJBOKZPZSA-N 0 3 317.860 4.410 20 30 DIEDHN C=CCCOCCNCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC001308360977 1065939726 /nfs/dbraw/zinc/93/97/26/1065939726.db2.gz NKNJNQAEKIXMLP-UHFFFAOYSA-N 0 3 316.470 4.109 20 30 DIEDHN CSc1ccc(CNCc2cccc3ncccc23)cc1C#N ZINC001308519961 1066042873 /nfs/dbraw/zinc/04/28/73/1066042873.db2.gz OCANBKITSVQDGO-UHFFFAOYSA-N 0 3 319.433 4.118 20 30 DIEDHN C=CC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC001308561313 1066068866 /nfs/dbraw/zinc/06/88/66/1066068866.db2.gz VSVDUMPNFZRDFB-UHFFFAOYSA-N 0 3 317.326 4.165 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(F)cc(OC)c1 ZINC001308621854 1066123112 /nfs/dbraw/zinc/12/31/12/1066123112.db2.gz FUPITTLXGOYBKV-UHFFFAOYSA-N 0 3 312.388 4.118 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1cc(O)cc(Cl)c1 ZINC001308632119 1066128160 /nfs/dbraw/zinc/12/81/60/1066128160.db2.gz KTRRLYZLVAPLCC-UHFFFAOYSA-N 0 3 301.817 4.276 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1csc(C#N)c1 ZINC001308643390 1066133852 /nfs/dbraw/zinc/13/38/52/1066133852.db2.gz QNCGFUANTZZJNP-ZBEGNZNMSA-N 0 3 320.845 4.139 20 30 DIEDHN C=CCCCC[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703108 1066188884 /nfs/dbraw/zinc/18/88/84/1066188884.db2.gz GQXBHOHENYLGHG-DNVCBOLYSA-N 0 3 315.436 4.373 20 30 DIEDHN C#C[C@@H](N[C@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786211 1066262347 /nfs/dbraw/zinc/26/23/47/1066262347.db2.gz KSVYQSUWJSVVCU-BFUOFWGJSA-N 0 3 317.354 4.389 20 30 DIEDHN C#C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)C ZINC001308794308 1066272024 /nfs/dbraw/zinc/27/20/24/1066272024.db2.gz KTCLRIREMGQJKB-FQEVSTJZSA-N 0 3 323.436 4.109 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1nccc2ccccc21 ZINC001308836698 1066311413 /nfs/dbraw/zinc/31/14/13/1066311413.db2.gz VKAMASSQRBMALJ-HNNXBMFYSA-N 0 3 301.393 4.152 20 30 DIEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCCCC2)cc1 ZINC001308867105 1066349001 /nfs/dbraw/zinc/34/90/01/1066349001.db2.gz JHWJUQBGQCOHGO-HZPDHXFCSA-N 0 3 300.446 4.251 20 30 DIEDHN C=C(C)CN(C)Cc1ccc(Br)cc1C(F)(F)F ZINC001308873046 1066354068 /nfs/dbraw/zinc/35/40/68/1066354068.db2.gz RAVNNVGOBBGJEH-UHFFFAOYSA-N 0 3 322.168 4.476 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308881432 1066360306 /nfs/dbraw/zinc/36/03/06/1066360306.db2.gz WQFRIQSJLWYRLZ-LLVKDONJSA-N 0 3 314.307 4.012 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)C[C@H](C)C(C)(C)C ZINC001308931394 1066405482 /nfs/dbraw/zinc/40/54/82/1066405482.db2.gz RMXGZJBAKVJRRO-AWEZNQCLSA-N 0 3 307.865 4.466 20 30 DIEDHN Cc1ccc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)cn1 ZINC000442893141 338438876 /nfs/dbraw/zinc/43/88/76/338438876.db2.gz ADWUGQHKHWGJSO-MRXNPFEDSA-N 0 3 305.425 4.202 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029099 335031749 /nfs/dbraw/zinc/03/17/49/335031749.db2.gz JDCTXYZDLQXORS-QFBILLFUSA-N 0 3 323.436 4.427 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000286378357 335033660 /nfs/dbraw/zinc/03/36/60/335033660.db2.gz ANAAZZZCTYIFGP-HXUWFJFHSA-N 0 3 308.425 4.277 20 30 DIEDHN Cc1nc2ccc(CN(C)Cc3cccc(C#N)c3)cc2s1 ZINC000426038553 335042923 /nfs/dbraw/zinc/04/29/23/335042923.db2.gz ZPXABDZSBSWVEB-UHFFFAOYSA-N 0 3 307.422 4.108 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000287572321 335044694 /nfs/dbraw/zinc/04/46/94/335044694.db2.gz QPYNEJLIDNERAS-ZDUSSCGKSA-N 0 3 316.470 4.430 20 30 DIEDHN N#Cc1csc(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000564537472 335058091 /nfs/dbraw/zinc/05/80/91/335058091.db2.gz VNZFXEKCERWZLY-KURKYZTESA-N 0 3 323.465 4.173 20 30 DIEDHN CSCc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000285557608 131180574 /nfs/dbraw/zinc/18/05/74/131180574.db2.gz FNQUGPPCSSTWCE-CYBMUJFWSA-N 0 3 314.429 4.411 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273490 131722537 /nfs/dbraw/zinc/72/25/37/131722537.db2.gz CKFAPEAZFAKZLJ-IFXJQAMLSA-N 0 3 322.408 4.147 20 30 DIEDHN COCc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848124 132160136 /nfs/dbraw/zinc/16/01/36/132160136.db2.gz SEIACKTXFHMBID-GJZGRUSLSA-N 0 3 324.424 4.125 20 30 DIEDHN COCc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848582 132160547 /nfs/dbraw/zinc/16/05/47/132160547.db2.gz SEIACKTXFHMBID-HUUCEWRRSA-N 0 3 324.424 4.125 20 30 DIEDHN C=CCCOCCN[C@@H](CC)c1ccc(Br)cc1 ZINC000229860411 332895190 /nfs/dbraw/zinc/89/51/90/332895190.db2.gz INKLQXNNCYLDMQ-HNNXBMFYSA-N 0 3 312.251 4.083 20 30 DIEDHN COc1cccc(C2CCN(Cc3ccc(C#N)s3)CC2)c1 ZINC000179800995 331543984 /nfs/dbraw/zinc/54/39/84/331543984.db2.gz VJKAQTQYSPJPNK-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN N#CCC[C@@H](C#N)CNCC1(c2cccc(F)c2)CCCCC1 ZINC000557218166 331777047 /nfs/dbraw/zinc/77/70/47/331777047.db2.gz YEJKNDSENRSROL-INIZCTEOSA-N 0 3 313.420 4.061 20 30 DIEDHN C=CCCCC[C@@H](C)N[C@H](CC)c1nnc2n1CCCCC2 ZINC000449114289 331802342 /nfs/dbraw/zinc/80/23/42/331802342.db2.gz ZCPKHKRSKIDCFV-HZPDHXFCSA-N 0 3 304.482 4.180 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000558156394 331880598 /nfs/dbraw/zinc/88/05/98/331880598.db2.gz HANDIZMVIUUXKX-LBPRGKRZSA-N 0 3 302.780 4.396 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257752 331890174 /nfs/dbraw/zinc/89/01/74/331890174.db2.gz NZWXGPUJRQVASR-WMLDXEAASA-N 0 3 319.832 4.306 20 30 DIEDHN C[C@H](NCC1CCC(C#N)CC1)c1ncc(-c2ccccc2)n1C ZINC000517865202 331974991 /nfs/dbraw/zinc/97/49/91/331974991.db2.gz IYHHPHMQVMVJDG-GTPINHCMSA-N 0 3 322.456 4.068 20 30 DIEDHN C=CCOCCN[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000559147669 331982246 /nfs/dbraw/zinc/98/22/46/331982246.db2.gz BKSLUZBMWXPGHZ-MRXNPFEDSA-N 0 3 311.425 4.215 20 30 DIEDHN C[C@H](NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000518625573 332100441 /nfs/dbraw/zinc/10/04/41/332100441.db2.gz HOZYRXRNQUCBOD-NQYLQCIDSA-N 0 3 324.399 4.268 20 30 DIEDHN N#CCCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000092808947 332131414 /nfs/dbraw/zinc/13/14/14/332131414.db2.gz LIAYEONCBVUWHF-UHFFFAOYSA-N 0 3 300.352 4.338 20 30 DIEDHN CN(CCc1c(F)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000531103746 332263068 /nfs/dbraw/zinc/26/30/68/332263068.db2.gz REMAJAHGSJTSIX-UHFFFAOYSA-N 0 3 302.780 4.025 20 30 DIEDHN C=CCC[C@H](NC[C@@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521420 332349923 /nfs/dbraw/zinc/34/99/23/332349923.db2.gz OTSIXSOPNYPRPP-GJZGRUSLSA-N 0 3 304.459 4.241 20 30 DIEDHN C=CCC[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000560526889 332351389 /nfs/dbraw/zinc/35/13/89/332351389.db2.gz IDJYZCAXHGWMCZ-INIZCTEOSA-N 0 3 300.358 4.027 20 30 DIEDHN Cc1cc(CNCc2cccc(OCCCC#N)c2)ccc1F ZINC000237637503 332380812 /nfs/dbraw/zinc/38/08/12/332380812.db2.gz VLJXWIFGXCAIGT-UHFFFAOYSA-N 0 3 312.388 4.107 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000155505867 332449060 /nfs/dbraw/zinc/44/90/60/332449060.db2.gz DJSUNIMKIJKUQM-LJQANCHMSA-N 0 3 309.409 4.255 20 30 DIEDHN CC(C)O[C@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000428318101 332458521 /nfs/dbraw/zinc/45/85/21/332458521.db2.gz ZTWVDJMWNGTWPA-OXJNMPFZSA-N 0 3 308.425 4.375 20 30 DIEDHN C[C@@H](NC[C@H](C#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159104613 332602143 /nfs/dbraw/zinc/60/21/43/332602143.db2.gz NNQCTWFIWZZMOD-MCIONIFRSA-N 0 3 323.362 4.231 20 30 DIEDHN CCc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000171757314 332651300 /nfs/dbraw/zinc/65/13/00/332651300.db2.gz LQBKVLVTISFACG-ZDUSSCGKSA-N 0 3 300.427 4.064 20 30 DIEDHN C[C@@H](NCC(C)(C)CCC#N)c1sccc1Br ZINC000569756945 332675913 /nfs/dbraw/zinc/67/59/13/332675913.db2.gz GAYWSCAYNJZZHP-SNVBAGLBSA-N 0 3 315.280 4.491 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122210 332714865 /nfs/dbraw/zinc/71/48/65/332714865.db2.gz GUSATUNVUFSAKL-SRCQZFHVSA-N 0 3 300.402 4.258 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122211 332714912 /nfs/dbraw/zinc/71/49/12/332714912.db2.gz GUSATUNVUFSAKL-VMGRFDJRSA-N 0 3 300.402 4.258 20 30 DIEDHN N#CC1(CN[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471124 332759405 /nfs/dbraw/zinc/75/94/05/332759405.db2.gz JYFBHIZSWUJGQV-ZFWWWQNUSA-N 0 3 308.347 4.235 20 30 DIEDHN N#Cc1cccc(CCNCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000466410978 333018725 /nfs/dbraw/zinc/01/87/25/333018725.db2.gz WKCWXLUXPUTNFW-UHFFFAOYSA-N 0 3 320.367 4.290 20 30 DIEDHN CCc1ccc([C@H]2C[C@@H](C)CCN2CCCSCC#N)o1 ZINC000466742850 333082150 /nfs/dbraw/zinc/08/21/50/333082150.db2.gz HNYPNZUIOKFXND-GOEBONIOSA-N 0 3 306.475 4.262 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OC2CCCCC2)CC1 ZINC000516755355 333123850 /nfs/dbraw/zinc/12/38/50/333123850.db2.gz ZURXOMLFKFHCQO-MRXNPFEDSA-N 0 3 312.457 4.433 20 30 DIEDHN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000582129976 333124332 /nfs/dbraw/zinc/12/43/32/333124332.db2.gz LORJKACKWTWAFC-KGLIPLIRSA-N 0 3 313.832 4.231 20 30 DIEDHN Cn1cccc1[C@H]1CCCN1Cc1cccc(OCCCC#N)c1 ZINC000179705996 333154638 /nfs/dbraw/zinc/15/46/38/333154638.db2.gz UZIFNUIRQYJOSM-HXUWFJFHSA-N 0 3 323.440 4.045 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(OCC#N)cc1 ZINC000180550092 333162817 /nfs/dbraw/zinc/16/28/17/333162817.db2.gz OPPWJWIAIFUXAK-JLTOFOAXSA-N 0 3 324.399 4.141 20 30 DIEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCCCC#N)cc1 ZINC000181139486 333167636 /nfs/dbraw/zinc/16/76/36/333167636.db2.gz DVPFQAFVDXJTML-LJQANCHMSA-N 0 3 312.388 4.011 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000181843672 333172807 /nfs/dbraw/zinc/17/28/07/333172807.db2.gz XTYVQHSQXSKBDB-JKSUJKDBSA-N 0 3 316.408 4.156 20 30 DIEDHN Cc1cc(C)c(CN[C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000182004087 333174276 /nfs/dbraw/zinc/17/42/76/333174276.db2.gz BTMVPAUAPRHLEN-QGZVFWFLSA-N 0 3 308.425 4.365 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779535 333213831 /nfs/dbraw/zinc/21/38/31/333213831.db2.gz BQYVOBKJIPYHLD-GWCFXTLKSA-N 0 3 300.299 4.016 20 30 DIEDHN CC(C)(C)OCc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185807784 333214415 /nfs/dbraw/zinc/21/44/15/333214415.db2.gz GDPBJJKDQOHJFW-MAUKXSAKSA-N 0 3 300.446 4.174 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882814 333215493 /nfs/dbraw/zinc/21/54/93/333215493.db2.gz FHVTWJMFYALRPX-DOTOQJQBSA-N 0 3 307.397 4.046 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882835 333215584 /nfs/dbraw/zinc/21/55/84/333215584.db2.gz FHVTWJMFYALRPX-RDJZCZTQSA-N 0 3 307.397 4.046 20 30 DIEDHN C=C(C)[C@H](NCCc1ccncc1C)c1ccc(F)c(F)c1 ZINC000563061198 333226206 /nfs/dbraw/zinc/22/62/06/333226206.db2.gz AHBDPBOGBBKYGR-SFHVURJKSA-N 0 3 302.368 4.118 20 30 DIEDHN CCN(CCOc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621978 333270881 /nfs/dbraw/zinc/27/08/81/333270881.db2.gz YPNMRPJYVOVGHM-OAHLLOKOSA-N 0 3 312.388 4.159 20 30 DIEDHN CCN(CCOc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621977 333270945 /nfs/dbraw/zinc/27/09/45/333270945.db2.gz YPNMRPJYVOVGHM-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN C=C(C)[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546126 335135649 /nfs/dbraw/zinc/13/56/49/335135649.db2.gz XYKXKQIJGOGGRX-YOEHRIQHSA-N 0 3 307.384 4.273 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000160957932 333369981 /nfs/dbraw/zinc/36/99/81/333369981.db2.gz QFZDTQNYANJXMW-CXAGYDPISA-N 0 3 312.438 4.206 20 30 DIEDHN C=CCSCCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000221944126 333383015 /nfs/dbraw/zinc/38/30/15/333383015.db2.gz RSDQESBLXCMPGP-SNVBAGLBSA-N 0 3 318.255 4.158 20 30 DIEDHN CSc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCC2 ZINC000563136627 333395855 /nfs/dbraw/zinc/39/58/55/333395855.db2.gz YYODHTXBAAKTPH-IBGZPJMESA-N 0 3 308.450 4.447 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913433 335149719 /nfs/dbraw/zinc/14/97/19/335149719.db2.gz PKLCJNQLSUICGW-SJORKVTESA-N 0 3 310.828 4.467 20 30 DIEDHN COc1cc([C@H](C)N[C@H](C)CCC#N)ccc1OCCC(C)C ZINC000411445506 333670482 /nfs/dbraw/zinc/67/04/82/333670482.db2.gz AEJBOLFQTIEHOY-CVEARBPZSA-N 0 3 318.461 4.463 20 30 DIEDHN CCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000266499235 333974041 /nfs/dbraw/zinc/97/40/41/333974041.db2.gz BCTWBXKKEOMDJH-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN CCOc1ccccc1[C@H](CC)NCc1ccc(OCC#N)cc1 ZINC000271800085 334026948 /nfs/dbraw/zinc/02/69/48/334026948.db2.gz RWKJCJADNUINMB-IBGZPJMESA-N 0 3 324.424 4.229 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000272004725 334029719 /nfs/dbraw/zinc/02/97/19/334029719.db2.gz IRGXUMJVGDMUSV-LBPRGKRZSA-N 0 3 314.351 4.218 20 30 DIEDHN N#CCCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000273089732 334043039 /nfs/dbraw/zinc/04/30/39/334043039.db2.gz SKMGIKJTRKBGCS-UHFFFAOYSA-N 0 3 310.241 4.118 20 30 DIEDHN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCCC#N ZINC000273178018 334043891 /nfs/dbraw/zinc/04/38/91/334043891.db2.gz DJZQRFXMQFSBOC-LLVKDONJSA-N 0 3 303.406 4.212 20 30 DIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000274625322 334064023 /nfs/dbraw/zinc/06/40/23/334064023.db2.gz NLDGGKWOBLXRHP-BJJXKVORSA-N 0 3 311.454 4.461 20 30 DIEDHN COc1ccc2[nH]cc(C3CCN([C@H](C)CCC#N)CC3)c2c1 ZINC000276280807 334075553 /nfs/dbraw/zinc/07/55/53/334075553.db2.gz FVQGJQOSRRGVEH-CQSZACIVSA-N 0 3 311.429 4.048 20 30 DIEDHN CC(C)(C#N)CCCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000277783034 334090884 /nfs/dbraw/zinc/09/08/84/334090884.db2.gz RYHOZCSHVKKIGS-UHFFFAOYSA-N 0 3 322.456 4.372 20 30 DIEDHN CN(CCCCC(C)(C)C#N)Cc1ccc(Br)o1 ZINC000278134440 334093035 /nfs/dbraw/zinc/09/30/35/334093035.db2.gz MXDZVJTXRASUAK-UHFFFAOYSA-N 0 3 313.239 4.194 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555186 334098006 /nfs/dbraw/zinc/09/80/06/334098006.db2.gz HVLWNQTVTADDNX-UKRRQHHQSA-N 0 3 311.454 4.168 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555181 334098024 /nfs/dbraw/zinc/09/80/24/334098024.db2.gz HVLWNQTVTADDNX-HIFRSBDPSA-N 0 3 311.454 4.168 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946155 334121519 /nfs/dbraw/zinc/12/15/19/334121519.db2.gz JGPLMFGIJFRBHY-JLTOFOAXSA-N 0 3 324.399 4.456 20 30 DIEDHN C[C@H](c1cc(F)ccc1F)N(C)CCCC1(C#N)CCOCC1 ZINC000281916898 334129489 /nfs/dbraw/zinc/12/94/89/334129489.db2.gz GYFUPTRNJABPBH-CQSZACIVSA-N 0 3 322.399 4.058 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957304 334129975 /nfs/dbraw/zinc/12/99/75/334129975.db2.gz MOWIDRVHLBPQID-LZLYRXPVSA-N 0 3 321.424 4.003 20 30 DIEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1ccccc1Cl ZINC000281996955 334130382 /nfs/dbraw/zinc/13/03/82/334130382.db2.gz NFVSGUCPGKCHPD-CQSZACIVSA-N 0 3 306.837 4.091 20 30 DIEDHN N#CCC[C@@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504295 334135244 /nfs/dbraw/zinc/13/52/44/334135244.db2.gz YKJDRRYAURZSLN-VQIMIIECSA-N 0 3 315.420 4.270 20 30 DIEDHN N#CCC[C@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504273 334135265 /nfs/dbraw/zinc/13/52/65/334135265.db2.gz YKJDRRYAURZSLN-LPHOPBHVSA-N 0 3 315.420 4.270 20 30 DIEDHN CC(C)CC[C@H](NCc1ccc(OCC#N)cc1)c1ccoc1 ZINC000286267442 334152429 /nfs/dbraw/zinc/15/24/29/334152429.db2.gz VFSOATUSLOVGCG-IBGZPJMESA-N 0 3 312.413 4.449 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462416 334172809 /nfs/dbraw/zinc/17/28/09/334172809.db2.gz WOXNQESZJMTREC-RZXSNQJFSA-N 0 3 320.436 4.133 20 30 DIEDHN C=CCOc1cccc(CN[C@@H]2CCCc3cc(N)ccc32)c1 ZINC000414920435 334180964 /nfs/dbraw/zinc/18/09/64/334180964.db2.gz XRMSWTJWMUXOGY-HXUWFJFHSA-N 0 3 308.425 4.001 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562532 334199167 /nfs/dbraw/zinc/19/91/67/334199167.db2.gz MGGZYVUIHDSKOP-INWMFGNUSA-N 0 3 306.862 4.199 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000293758811 334202011 /nfs/dbraw/zinc/20/20/11/334202011.db2.gz JSQIHPMYIORQBW-OAGGEKHMSA-N 0 3 318.848 4.123 20 30 DIEDHN CC[C@H](CC#N)NC1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000293767034 334202224 /nfs/dbraw/zinc/20/22/24/334202224.db2.gz ZNVPUNGYOFKVHO-XEVCZEQESA-N 0 3 314.473 4.222 20 30 DIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000298360804 334248001 /nfs/dbraw/zinc/24/80/01/334248001.db2.gz FZCHTENOUHBGIF-SJORKVTESA-N 0 3 324.472 4.489 20 30 DIEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000299721967 334257569 /nfs/dbraw/zinc/25/75/69/334257569.db2.gz SNFBWQHBIOCWCW-HZPDHXFCSA-N 0 3 309.413 4.003 20 30 DIEDHN N#CCC[C@H](NCCCCOc1ccccc1)c1ccccc1 ZINC000342189511 334515979 /nfs/dbraw/zinc/51/59/79/334515979.db2.gz FSOOXIHZECQBNH-FQEVSTJZSA-N 0 3 308.425 4.480 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370255 334764592 /nfs/dbraw/zinc/76/45/92/334764592.db2.gz SFUAXHWASYEZRE-RBZFPXEDSA-N 0 3 319.383 4.297 20 30 DIEDHN C[C@H](COc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](C#N)C1 ZINC000425357668 334837882 /nfs/dbraw/zinc/83/78/82/334837882.db2.gz RZHXQJBKKLOURV-GRYCIOLGSA-N 0 3 313.228 4.043 20 30 DIEDHN C[C@@H](COc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](C#N)C1 ZINC000425357669 334838064 /nfs/dbraw/zinc/83/80/64/334838064.db2.gz RZHXQJBKKLOURV-SDDRHHMPSA-N 0 3 313.228 4.043 20 30 DIEDHN CCO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339302 335242300 /nfs/dbraw/zinc/24/23/00/335242300.db2.gz WSBNQTVTIBHPAK-GBESFXJTSA-N 0 3 312.457 4.359 20 30 DIEDHN CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339301 335242356 /nfs/dbraw/zinc/24/23/56/335242356.db2.gz WSBNQTVTIBHPAK-CEXWTWQISA-N 0 3 312.457 4.359 20 30 DIEDHN CC(C)C[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000345755729 335348388 /nfs/dbraw/zinc/34/83/88/335348388.db2.gz GMRPWZIKMSWVSR-RISCZKNCSA-N 0 3 312.335 4.068 20 30 DIEDHN CC[C@H](NCc1ccccc1C(C)(C)C#N)c1c(C)nn(C)c1C ZINC000347998333 335544948 /nfs/dbraw/zinc/54/49/48/335544948.db2.gz GDSNBUYFVIFFRC-SFHVURJKSA-N 0 3 324.472 4.079 20 30 DIEDHN Cc1cc(Cl)cc2c1OCCC[C@@H]2NCC1(CC#N)CC1 ZINC000430755160 335721970 /nfs/dbraw/zinc/72/19/70/335721970.db2.gz PMPDOYQYTNQYFY-HNNXBMFYSA-N 0 3 304.821 4.146 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000052660329 335801526 /nfs/dbraw/zinc/80/15/26/335801526.db2.gz SDXVKRCFNLRQPS-LBPRGKRZSA-N 0 3 304.315 4.428 20 30 DIEDHN N#Cc1ccc(Cl)cc1NC[C@H](c1ccco1)N1CCCC1 ZINC000301171297 336293151 /nfs/dbraw/zinc/29/31/51/336293151.db2.gz GLXMHBLCCMYCGF-MRXNPFEDSA-N 0 3 315.804 4.054 20 30 DIEDHN C=C(C)CN1CCC(Nc2nc(-c3ccccc3)cs2)CC1 ZINC000301595814 336317238 /nfs/dbraw/zinc/31/72/38/336317238.db2.gz FWCWVIWANUMKET-UHFFFAOYSA-N 0 3 313.470 4.263 20 30 DIEDHN CO[C@@H](CN[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142313 336375132 /nfs/dbraw/zinc/37/51/32/336375132.db2.gz QKIHZJCPPZMJPX-ACJLOTCBSA-N 0 3 314.816 4.250 20 30 DIEDHN Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000353033705 336383986 /nfs/dbraw/zinc/38/39/86/336383986.db2.gz ZXJWKXIGOJRSKN-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](c2ncccc2C)C(C)C)cc1 ZINC000115622708 336402055 /nfs/dbraw/zinc/40/20/55/336402055.db2.gz DNFSCXGLMAWHKP-FQEVSTJZSA-N 0 3 322.452 4.279 20 30 DIEDHN C=CCC[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccco1 ZINC000353405505 336415792 /nfs/dbraw/zinc/41/57/92/336415792.db2.gz OGWVITFVNWZPCO-LJQANCHMSA-N 0 3 321.424 4.322 20 30 DIEDHN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccc1C#N ZINC000353912792 336447669 /nfs/dbraw/zinc/44/76/69/336447669.db2.gz GNFJKBSGTFKRSL-IBGZPJMESA-N 0 3 319.408 4.092 20 30 DIEDHN CC(C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560740 336634647 /nfs/dbraw/zinc/63/46/47/336634647.db2.gz FUXFSZFYVYOMFF-KBXCAEBGSA-N 0 3 311.404 4.183 20 30 DIEDHN COC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655683 336717585 /nfs/dbraw/zinc/71/75/85/336717585.db2.gz DRQISZQAFNORKX-SFTDATJTSA-N 0 3 320.436 4.303 20 30 DIEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000368960857 336855692 /nfs/dbraw/zinc/85/56/92/336855692.db2.gz RDNKELWRWYOSCE-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN C[C@@H](NCc1cccc(-c2cccnc2)c1)c1ccc(C#N)cc1 ZINC000370737216 336892387 /nfs/dbraw/zinc/89/23/87/336892387.db2.gz DYZAGZALSLLJPD-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](NCc1cccc(-c2cccnc2)c1)c1ccc(C#N)cc1 ZINC000370737215 336892436 /nfs/dbraw/zinc/89/24/36/336892436.db2.gz DYZAGZALSLLJPD-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C#N)CCC#N ZINC000583688820 336951432 /nfs/dbraw/zinc/95/14/32/336951432.db2.gz FQHVMZAUKDUGPG-WFASDCNBSA-N 0 3 324.255 4.348 20 30 DIEDHN CC(C)(C#N)CCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374995947 337001190 /nfs/dbraw/zinc/00/11/90/337001190.db2.gz FXZROFDOMZXFPT-UHFFFAOYSA-N 0 3 303.837 4.154 20 30 DIEDHN C=CCSCCN[C@@H](C)c1cc(Br)cs1 ZINC000194091258 337081597 /nfs/dbraw/zinc/08/15/97/337081597.db2.gz ZHLOUMDXANYFJR-VIFPVBQESA-N 0 3 306.294 4.080 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000174369167 337141203 /nfs/dbraw/zinc/14/12/03/337141203.db2.gz WYLPDQLLKYADHK-JKSUJKDBSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000177391319 337155776 /nfs/dbraw/zinc/15/57/76/337155776.db2.gz LCLPZTZFLBWZDC-JKSUJKDBSA-N 0 3 316.408 4.156 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@H](CC)C1 ZINC000582991693 337223139 /nfs/dbraw/zinc/22/31/39/337223139.db2.gz AVKRUKCGTKEOEL-IEBWSBKVSA-N 0 3 319.493 4.047 20 30 DIEDHN N#CCC[C@@H](NCCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000193305322 337309626 /nfs/dbraw/zinc/30/96/26/337309626.db2.gz HPUOUUMYTMRKJF-HXUWFJFHSA-N 0 3 320.436 4.189 20 30 DIEDHN COc1ccc(OC)c([C@H]2CCCN2CC(C)(C)CCC#N)c1 ZINC000120642002 337395928 /nfs/dbraw/zinc/39/59/28/337395928.db2.gz NVDQBMINOGMSQC-QGZVFWFLSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000245907299 337497081 /nfs/dbraw/zinc/49/70/81/337497081.db2.gz OUOUPSYHTCCGDA-YRISNDGFSA-N 0 3 320.436 4.377 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000572104601 337590871 /nfs/dbraw/zinc/59/08/71/337590871.db2.gz MROJXVANAVEAIB-KMFMINBZSA-N 0 3 301.821 4.009 20 30 DIEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264764 337594177 /nfs/dbraw/zinc/59/41/77/337594177.db2.gz KNANYTQXIXXDPA-DTWKUNHWSA-N 0 3 308.636 4.234 20 30 DIEDHN C=CCC[C@H](NCc1cn(C)nc1C(F)F)c1ccccc1 ZINC000274521469 337660138 /nfs/dbraw/zinc/66/01/38/337660138.db2.gz YKEUOSABHCEJIJ-HNNXBMFYSA-N 0 3 305.372 4.155 20 30 DIEDHN CC[C@H](NCc1cccc2c1CCCN2)c1ccc(C#N)cc1 ZINC000423412176 337716300 /nfs/dbraw/zinc/71/63/00/337716300.db2.gz GZYGJAQATYYWPD-IBGZPJMESA-N 0 3 305.425 4.157 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000424189373 337803157 /nfs/dbraw/zinc/80/31/57/337803157.db2.gz DJHCROHMSGSYEV-NWDGAFQWSA-N 0 3 302.324 4.007 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000424290906 337816171 /nfs/dbraw/zinc/81/61/71/337816171.db2.gz CKSUPUTUEUWMHB-FTGAXOIBSA-N 0 3 318.219 4.374 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000424327602 337821396 /nfs/dbraw/zinc/82/13/96/337821396.db2.gz MZYCSOQYSUEEKR-SGIREYDYSA-N 0 3 319.246 4.108 20 30 DIEDHN COc1cccc(C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC000424331748 337822264 /nfs/dbraw/zinc/82/22/64/337822264.db2.gz SIWAQJFQSJIRIX-FBBABVLZSA-N 0 3 320.436 4.261 20 30 DIEDHN C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424431311 337833023 /nfs/dbraw/zinc/83/30/23/337833023.db2.gz FLRIQWZITKAAKK-UHFFFAOYSA-N 0 3 315.461 4.054 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000121438379 337892935 /nfs/dbraw/zinc/89/29/35/337892935.db2.gz TUXDOYGMELQBCC-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H](C)c1ccccc1C(F)(F)F ZINC000121626035 337896803 /nfs/dbraw/zinc/89/68/03/337896803.db2.gz LOUNSRDPKZHSEP-NWDGAFQWSA-N 0 3 322.330 4.452 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(OC(C)(C)C)CC1 ZINC000092454196 337904404 /nfs/dbraw/zinc/90/44/04/337904404.db2.gz PJDOVQAYEWXYMI-UHFFFAOYSA-N 0 3 303.446 4.031 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293548 337928698 /nfs/dbraw/zinc/92/86/98/337928698.db2.gz WNUDPDSQCWNFQG-GJZGRUSLSA-N 0 3 324.424 4.377 20 30 DIEDHN C=CCC[C@@H](NCCc1nnc(C(C)C)s1)c1ccco1 ZINC000426304071 338025788 /nfs/dbraw/zinc/02/57/88/338025788.db2.gz BDMJXFTXQSJPCI-CYBMUJFWSA-N 0 3 305.447 4.094 20 30 DIEDHN C=CCN(C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000428371686 338049187 /nfs/dbraw/zinc/04/91/87/338049187.db2.gz GRTOQJWWOMJQSW-UHFFFAOYSA-N 0 3 314.816 4.210 20 30 DIEDHN CC[C@H](C)CN(C)c1ccc(F)cc1CNCC1(CC#N)CC1 ZINC000430030219 338093887 /nfs/dbraw/zinc/09/38/87/338093887.db2.gz ZWOIZLKHCYDGDY-HNNXBMFYSA-N 0 3 317.452 4.091 20 30 DIEDHN C=CCCCN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430271366 338103899 /nfs/dbraw/zinc/10/38/99/338103899.db2.gz GGJBWUJBSADWNY-UHFFFAOYSA-N 0 3 303.837 4.042 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc3c(c2)CCC3)s1 ZINC000430611077 338109885 /nfs/dbraw/zinc/10/98/85/338109885.db2.gz MYOOBDQTEDXGSJ-HNNXBMFYSA-N 0 3 324.449 4.419 20 30 DIEDHN N#CCC1(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000430739025 338112764 /nfs/dbraw/zinc/11/27/64/338112764.db2.gz CKIDXSDUFCEWPK-GOSISDBHSA-N 0 3 310.441 4.063 20 30 DIEDHN CN(CCS[C@H](C#N)C1CCCCC1)Cc1ccccc1 ZINC000433018588 338176475 /nfs/dbraw/zinc/17/64/75/338176475.db2.gz FFKCEGVBJPPZAI-GOSISDBHSA-N 0 3 302.487 4.324 20 30 DIEDHN Cc1nc2ccccn2c1CN[C@H](CCCC#N)c1ccccc1 ZINC000433022967 338176813 /nfs/dbraw/zinc/17/68/13/338176813.db2.gz YQPNXHQRHLVRSW-GOSISDBHSA-N 0 3 318.424 4.168 20 30 DIEDHN N#CCCC[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000433028948 338177220 /nfs/dbraw/zinc/17/72/20/338177220.db2.gz QOWHWMMDXLNFJF-FQEVSTJZSA-N 0 3 306.384 4.202 20 30 DIEDHN CCCC[C@H](CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222644 338186566 /nfs/dbraw/zinc/18/65/66/338186566.db2.gz ZVKNNSAYWQVKPF-FUHWJXTLSA-N 0 3 300.446 4.092 20 30 DIEDHN CC(C)(C)CC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433229618 338186769 /nfs/dbraw/zinc/18/67/69/338186769.db2.gz DPFVJABXAYONBX-INIZCTEOSA-N 0 3 300.446 4.090 20 30 DIEDHN CCC(CC)CN(CC)C(=O)C(C#N)CCc1ccccc1 ZINC000433232903 338187028 /nfs/dbraw/zinc/18/70/28/338187028.db2.gz NHMHLEAHNBNDJY-SFHVURJKSA-N 0 3 300.446 4.044 20 30 DIEDHN C[C@H](c1cccs1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433296982 338189853 /nfs/dbraw/zinc/18/98/53/338189853.db2.gz JZKXDLBTCPAADZ-GDBMZVCRSA-N 0 3 312.438 4.040 20 30 DIEDHN C[C@@H](c1cccs1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433296983 338189931 /nfs/dbraw/zinc/18/99/31/338189931.db2.gz JZKXDLBTCPAADZ-GOEBONIOSA-N 0 3 312.438 4.040 20 30 DIEDHN Cc1cccc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)c1C ZINC000433348590 338193526 /nfs/dbraw/zinc/19/35/26/338193526.db2.gz APRKYZSGVDWHFX-IEBWSBKVSA-N 0 3 320.436 4.253 20 30 DIEDHN Cc1cc(C)cc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433357151 338193773 /nfs/dbraw/zinc/19/37/73/338193773.db2.gz VALPXNLRXPIANY-PKOBYXMFSA-N 0 3 320.436 4.253 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(NCCC)cc2)cc1 ZINC000434757359 338225054 /nfs/dbraw/zinc/22/50/54/338225054.db2.gz MWWQGUOEDDYNLT-UHFFFAOYSA-N 0 3 310.441 4.363 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1Cl ZINC000435746052 338247649 /nfs/dbraw/zinc/24/76/49/338247649.db2.gz SRSKXIYJUBHQQM-DOMZBBRYSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Cl)cc1Cl ZINC000435746053 338247711 /nfs/dbraw/zinc/24/77/11/338247711.db2.gz SRSKXIYJUBHQQM-IUODEOHRSA-N 0 3 300.229 4.064 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000435746055 338247736 /nfs/dbraw/zinc/24/77/36/338247736.db2.gz SRSKXIYJUBHQQM-WFASDCNBSA-N 0 3 300.229 4.064 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229390 338262490 /nfs/dbraw/zinc/26/24/90/338262490.db2.gz DXBJLJZHYSGDNN-VQIMIIECSA-N 0 3 308.400 4.198 20 30 DIEDHN CSc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000436286390 338266194 /nfs/dbraw/zinc/26/61/94/338266194.db2.gz HADXKNNLJIGGMF-ZDUSSCGKSA-N 0 3 314.429 4.313 20 30 DIEDHN C[C@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000156047988 338329737 /nfs/dbraw/zinc/32/97/37/338329737.db2.gz VLXJCZONNIVMKE-SSDOTTSWSA-N 0 3 303.221 4.275 20 30 DIEDHN C=CCOc1ccc(CNCc2ccccc2N(C)C(C)C)cc1 ZINC000438348778 338340719 /nfs/dbraw/zinc/34/07/19/338340719.db2.gz YZZWIOFGLOHZTA-UHFFFAOYSA-N 0 3 324.468 4.386 20 30 DIEDHN CN(CCOCC1CC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000438535493 338347201 /nfs/dbraw/zinc/34/72/01/338347201.db2.gz YUIZZRHIUVKMBJ-UHFFFAOYSA-N 0 3 320.436 4.084 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1c1ccccc1C ZINC000438607176 338349863 /nfs/dbraw/zinc/34/98/63/338349863.db2.gz MZRMCGZBNUJCNR-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454226 338370006 /nfs/dbraw/zinc/37/00/06/338370006.db2.gz RJZVKWDVPXNHSP-HUUCEWRRSA-N 0 3 308.878 4.318 20 30 DIEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)c(Cl)c1 ZINC000439458479 338370113 /nfs/dbraw/zinc/37/01/13/338370113.db2.gz DODIHHVHHBLLQW-KRWDZBQOSA-N 0 3 318.848 4.135 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440568229 338390524 /nfs/dbraw/zinc/39/05/24/338390524.db2.gz YLONJLJTGHLIMU-MNDZRTMASA-N 0 3 324.468 4.289 20 30 DIEDHN COc1cc(CN[C@@H](c2ccccc2)C2CCC2)ccc1C#N ZINC000440818672 338398082 /nfs/dbraw/zinc/39/80/82/338398082.db2.gz ANADHYQCCMGMTH-FQEVSTJZSA-N 0 3 306.409 4.198 20 30 DIEDHN COc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ccc1C#N ZINC000440833540 338398374 /nfs/dbraw/zinc/39/83/74/338398374.db2.gz SSRJRODIQSZBNU-HXUWFJFHSA-N 0 3 324.399 4.337 20 30 DIEDHN N#CC1CCC(CNCc2csc(Cl)c2Cl)CC1 ZINC000441339104 338409239 /nfs/dbraw/zinc/40/92/39/338409239.db2.gz XWXXJTXFNYBHJG-UHFFFAOYSA-N 0 3 303.258 4.474 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2cccc(COCc3ccccc3)c2)C1 ZINC000442721299 338429054 /nfs/dbraw/zinc/42/90/54/338429054.db2.gz SWCSPPRVCOKZPS-GHTZIAJQSA-N 0 3 320.436 4.185 20 30 DIEDHN CCOc1ccccc1[C@H](CC(C)C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442763471 338429825 /nfs/dbraw/zinc/42/98/25/338429825.db2.gz GRNXOYGMSODQAO-NUJGCVRESA-N 0 3 300.446 4.454 20 30 DIEDHN COc1ccc(-c2csc(CN[C@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000442780132 338430744 /nfs/dbraw/zinc/43/07/44/338430744.db2.gz FTBMSMHTNSDFLW-BBRMVZONSA-N 0 3 312.438 4.206 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000442785905 338431267 /nfs/dbraw/zinc/43/12/67/338431267.db2.gz WJPQGFXCRLJVTM-RTBURBONSA-N 0 3 306.409 4.047 20 30 DIEDHN C[C@H](NCCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1F ZINC000442806389 338432817 /nfs/dbraw/zinc/43/28/17/338432817.db2.gz BNUXDPSSLKBCGR-ZDUSSCGKSA-N 0 3 307.372 4.072 20 30 DIEDHN N#CC1CCC(CN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000442851339 338434620 /nfs/dbraw/zinc/43/46/20/338434620.db2.gz FWFSQTDNZJALQB-ALLBUHFWSA-N 0 3 323.415 4.230 20 30 DIEDHN C=CCSCCN[C@@H]1CCCSc2ccc(OC)cc21 ZINC000446890866 338539896 /nfs/dbraw/zinc/53/98/96/338539896.db2.gz QFOCXTGEZDJUAX-OAHLLOKOSA-N 0 3 309.500 4.131 20 30 DIEDHN C=CCCCN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000447796691 338566725 /nfs/dbraw/zinc/56/67/25/338566725.db2.gz XONBIJBQQJREIV-IBGZPJMESA-N 0 3 308.425 4.231 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2cc(Cl)ccc2OCC2CC2)C1 ZINC000449446501 338624913 /nfs/dbraw/zinc/62/49/13/338624913.db2.gz RSVGDVLJJBETEH-GUYCJALGSA-N 0 3 318.848 4.301 20 30 DIEDHN CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 ZINC000453368198 338832891 /nfs/dbraw/zinc/83/28/91/338832891.db2.gz QDOVEZADDATKBB-LJQANCHMSA-N 0 3 312.388 4.337 20 30 DIEDHN C=C(C)CN(CC)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459296025 339019801 /nfs/dbraw/zinc/01/98/01/339019801.db2.gz MONDPLLJFRBKIY-UHFFFAOYSA-N 0 3 324.472 4.458 20 30 DIEDHN CC(C)(CC#N)CNCc1c(OC(F)F)ccc2ccccc21 ZINC000459695228 339043410 /nfs/dbraw/zinc/04/34/10/339043410.db2.gz OTDLUGROHARLIR-UHFFFAOYSA-N 0 3 318.367 4.471 20 30 DIEDHN COc1ccc(CNCC(C)(C)CC#N)cc1OCCC(C)C ZINC000459731946 339044999 /nfs/dbraw/zinc/04/49/99/339044999.db2.gz NWXYBWSIRSTZQB-UHFFFAOYSA-N 0 3 318.461 4.150 20 30 DIEDHN CC[C@H](CC#N)N[C@H](CC)CCc1ccc(Br)cc1 ZINC000462057686 339071565 /nfs/dbraw/zinc/07/15/65/339071565.db2.gz JAHOMQBOFWSQRG-HZPDHXFCSA-N 0 3 323.278 4.442 20 30 DIEDHN CN(C)[C@H](CNc1c(Cl)cccc1C#N)c1ccc(F)cc1 ZINC000462777807 339088029 /nfs/dbraw/zinc/08/80/29/339088029.db2.gz NGOZDDPVISEETC-MRXNPFEDSA-N 0 3 317.795 4.066 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000462803219 339089976 /nfs/dbraw/zinc/08/99/76/339089976.db2.gz AJQKINDCFYQUSV-IBGZPJMESA-N 0 3 309.409 4.124 20 30 DIEDHN CCN(CC)[C@@H](CNc1ccc(F)cc1C#N)c1ccsc1 ZINC000462918558 339098026 /nfs/dbraw/zinc/09/80/26/339098026.db2.gz CZRYLVLIYVFGPY-KRWDZBQOSA-N 0 3 317.433 4.254 20 30 DIEDHN COCCSc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463282579 339113218 /nfs/dbraw/zinc/11/32/18/339113218.db2.gz LBFRZCNADDUIQS-UXLLHSPISA-N 0 3 318.486 4.158 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292607 339113794 /nfs/dbraw/zinc/11/37/94/339113794.db2.gz WPNWUDKJRQVLLF-PMACEKPBSA-N 0 3 320.436 4.438 20 30 DIEDHN CCN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)OC ZINC000463421194 339117291 /nfs/dbraw/zinc/11/72/91/339117291.db2.gz YDRUBCGGXZNXDJ-INIZCTEOSA-N 0 3 308.425 4.082 20 30 DIEDHN Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464463336 339142821 /nfs/dbraw/zinc/14/28/21/339142821.db2.gz FNBCGSGIFLXHRO-CQSZACIVSA-N 0 3 318.298 4.207 20 30 DIEDHN Cc1ccc(C)c(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464472312 339143023 /nfs/dbraw/zinc/14/30/23/339143023.db2.gz OKUWYHXNMIFVTR-CQSZACIVSA-N 0 3 318.298 4.207 20 30 DIEDHN Cc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464480648 339143129 /nfs/dbraw/zinc/14/31/29/339143129.db2.gz ZJMUJXFRWBWPHQ-AWEZNQCLSA-N 0 3 318.298 4.207 20 30 DIEDHN C[C@H]1C[C@@H](c2ccccc2F)N(CCOc2ccccc2C#N)C1 ZINC000464741294 339150805 /nfs/dbraw/zinc/15/08/05/339150805.db2.gz SUQVFMLHFQKION-KXBFYZLASA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@H]1CCN(CCOc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000464852788 339158020 /nfs/dbraw/zinc/15/80/20/339158020.db2.gz CDWRZERSECOBRZ-RDJZCZTQSA-N 0 3 310.397 4.003 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000466476807 339206711 /nfs/dbraw/zinc/20/67/11/339206711.db2.gz AJMLNRNFCFRWDN-HAQNSBGRSA-N 0 3 321.207 4.494 20 30 DIEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000467283445 339229817 /nfs/dbraw/zinc/22/98/17/339229817.db2.gz VKVAJFIXACMMHP-HNNXBMFYSA-N 0 3 320.392 4.424 20 30 DIEDHN C=CCCN(C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000467302400 339230567 /nfs/dbraw/zinc/23/05/67/339230567.db2.gz GLFBUPXHTPOUBS-UHFFFAOYSA-N 0 3 316.832 4.322 20 30 DIEDHN C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411045 339237091 /nfs/dbraw/zinc/23/70/91/339237091.db2.gz LYGOGGZDRVYJBY-SWLSCSKDSA-N 0 3 318.852 4.234 20 30 DIEDHN CC(C)N(Cc1cccc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000468267266 339258335 /nfs/dbraw/zinc/25/83/35/339258335.db2.gz AAPGMNMLMOMYCW-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000468271946 339258432 /nfs/dbraw/zinc/25/84/32/339258432.db2.gz HEUVWGMBPNGJED-ZDUSSCGKSA-N 0 3 300.352 4.420 20 30 DIEDHN N#Cc1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)ccc1F ZINC000468278042 339258751 /nfs/dbraw/zinc/25/87/51/339258751.db2.gz PJSDBGQMINFEHO-HXUWFJFHSA-N 0 3 306.384 4.349 20 30 DIEDHN CC(C#N)C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000468761400 339270093 /nfs/dbraw/zinc/27/00/93/339270093.db2.gz AIQOALDACZGSRR-LBPRGKRZSA-N 0 3 324.346 4.136 20 30 DIEDHN CCC(CC)(NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000469203653 339283039 /nfs/dbraw/zinc/28/30/39/339283039.db2.gz XCHLZLSZHZNPOM-JTQLQIEISA-N 0 3 313.228 4.285 20 30 DIEDHN CC(C#N)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000469400717 339287881 /nfs/dbraw/zinc/28/78/81/339287881.db2.gz XODPGVNJADPDBH-MFKMUULPSA-N 0 3 312.335 4.068 20 30 DIEDHN CCC[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000469442733 339289313 /nfs/dbraw/zinc/28/93/13/339289313.db2.gz MQZQXBFWGLRAFY-UXHICEINSA-N 0 3 320.436 4.417 20 30 DIEDHN CCC[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000469442735 339289320 /nfs/dbraw/zinc/28/93/20/339289320.db2.gz MQZQXBFWGLRAFY-WOJBJXKFSA-N 0 3 320.436 4.417 20 30 DIEDHN N#CCc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469454550 339290077 /nfs/dbraw/zinc/29/00/77/339290077.db2.gz LKBQTTFOCYOECE-MRXNPFEDSA-N 0 3 312.363 4.020 20 30 DIEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C#N)cc1 ZINC000470169057 339312627 /nfs/dbraw/zinc/31/26/27/339312627.db2.gz BCFFXGLDLUWYEM-GDNBJRDFSA-N 0 3 321.380 4.002 20 30 DIEDHN C=CCOCCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470778320 339327809 /nfs/dbraw/zinc/32/78/09/339327809.db2.gz GGODUHQECQGBFZ-UHFFFAOYSA-N 0 3 307.384 4.037 20 30 DIEDHN C=CCOCCCN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000470782377 339327943 /nfs/dbraw/zinc/32/79/43/339327943.db2.gz VDUYVTGQYCCEIH-UHFFFAOYSA-N 0 3 310.441 4.158 20 30 DIEDHN C=C(C)CN(CCc1nc2ccccc2n1C)Cc1ccccc1 ZINC000470909695 339331160 /nfs/dbraw/zinc/33/11/60/339331160.db2.gz UVTVVFOAJCGLRU-UHFFFAOYSA-N 0 3 319.452 4.194 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145083 339364196 /nfs/dbraw/zinc/36/41/96/339364196.db2.gz ASTGCWYERQTXQR-FUHWJXTLSA-N 0 3 324.399 4.187 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000472143014 339364232 /nfs/dbraw/zinc/36/42/32/339364232.db2.gz WAXUSWNZZNUSMA-IEBWSBKVSA-N 0 3 306.409 4.047 20 30 DIEDHN C=CCC[C@@H](O)CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000472580554 339374056 /nfs/dbraw/zinc/37/40/56/339374056.db2.gz KYNGNNMMPYOTGP-NHCUHLMSSA-N 0 3 307.437 4.113 20 30 DIEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744727 339376748 /nfs/dbraw/zinc/37/67/48/339376748.db2.gz DBZLJBRCUWIMMR-DOMZBBRYSA-N 0 3 301.352 4.025 20 30 DIEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744732 339376796 /nfs/dbraw/zinc/37/67/96/339376796.db2.gz DBZLJBRCUWIMMR-IUODEOHRSA-N 0 3 301.352 4.025 20 30 DIEDHN C=C(C)[C@H](N[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423419 339534374 /nfs/dbraw/zinc/53/43/74/339534374.db2.gz PJKFYQCIHCAXRR-QGTPRVQTSA-N 0 3 309.400 4.375 20 30 DIEDHN CCC(CC)[C@@H](NCc1cc(C#N)n(C)c1)c1cccs1 ZINC000480361294 339570648 /nfs/dbraw/zinc/57/06/48/339570648.db2.gz IQTWYBQOSYHHOQ-QGZVFWFLSA-N 0 3 301.459 4.225 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663315 339671253 /nfs/dbraw/zinc/67/12/53/339671253.db2.gz RHSYXKBKNXICRY-IACUBPJLSA-N 0 3 317.408 4.435 20 30 DIEDHN Cc1cc(CN2CCC(Nc3ccc(F)cc3)CC2)ccc1C#N ZINC000488234913 339774139 /nfs/dbraw/zinc/77/41/39/339774139.db2.gz SDGSIVWEHUYUBE-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN Cc1cccc([C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000490036608 339824085 /nfs/dbraw/zinc/82/40/85/339824085.db2.gz DRPUCDQLRSXLSP-KRWDZBQOSA-N 0 3 320.436 4.471 20 30 DIEDHN CCCN(CCc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000500159290 340051676 /nfs/dbraw/zinc/05/16/76/340051676.db2.gz AFNVBLTYFWVOCT-UHFFFAOYSA-N 0 3 314.379 4.291 20 30 DIEDHN C=CCCOCCNC/C(C)=C/c1ccccc1C(F)(F)F ZINC000500399548 340056828 /nfs/dbraw/zinc/05/68/28/340056828.db2.gz FOYXARINVAFWNP-WYMLVPIESA-N 0 3 313.363 4.291 20 30 DIEDHN COc1cc(C#N)ccc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000501236818 340076884 /nfs/dbraw/zinc/07/68/84/340076884.db2.gz HCNCAZIMFOZAFW-HXUWFJFHSA-N 0 3 318.420 4.219 20 30 DIEDHN Cc1cc([C@@H](C)NCCSCc2ccccc2C#N)oc1C ZINC000502434515 340103473 /nfs/dbraw/zinc/10/34/73/340103473.db2.gz ZLRGNBWKGYTSCW-CQSZACIVSA-N 0 3 314.454 4.352 20 30 DIEDHN N#Cc1ccc(C2=CCN(CCCCC(F)(F)F)CC2)cc1 ZINC000502505579 340106269 /nfs/dbraw/zinc/10/62/69/340106269.db2.gz FGVQNAJBHXEKCJ-UHFFFAOYSA-N 0 3 308.347 4.380 20 30 DIEDHN CC[C@H]1C[C@@]1(NCc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512781 340106540 /nfs/dbraw/zinc/10/65/40/340106540.db2.gz SEHMRDZVUYUWDW-FPOVZHCZSA-N 0 3 304.437 4.476 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502534075 340107077 /nfs/dbraw/zinc/10/70/77/340107077.db2.gz IYICFBJCNUMOKJ-MRXNPFEDSA-N 0 3 313.404 4.280 20 30 DIEDHN CC[C@H]1C[C@]1(NCc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550154 340107445 /nfs/dbraw/zinc/10/74/45/340107445.db2.gz HHBSUIPLUDNYMV-FXAWDEMLSA-N 0 3 308.400 4.421 20 30 DIEDHN C=CCc1cc(CN(C)Cc2ccccc2C)cc(OC)c1O ZINC000505600898 340172371 /nfs/dbraw/zinc/17/23/71/340172371.db2.gz BBADKQUVXASHFH-UHFFFAOYSA-N 0 3 311.425 4.070 20 30 DIEDHN CC(C)(C)c1ccc(OCCCN2CCC(C)(C#N)CC2)cc1 ZINC000506012822 340183331 /nfs/dbraw/zinc/18/33/31/340183331.db2.gz NYXLZWRXMIKTKR-UHFFFAOYSA-N 0 3 314.473 4.379 20 30 DIEDHN C=CCc1cc(CN(C)Cc2cccc(C)c2)cc(OC)c1O ZINC000506203066 340188451 /nfs/dbraw/zinc/18/84/51/340188451.db2.gz JNCHKDNJCHLGIY-UHFFFAOYSA-N 0 3 311.425 4.070 20 30 DIEDHN CCN(Cc1cc(C#N)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506414420 340194259 /nfs/dbraw/zinc/19/42/59/340194259.db2.gz DTKRUYVQHHDHDU-CQSZACIVSA-N 0 3 314.454 4.081 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1ccccc1-c1ccnn1C ZINC000507014465 340205449 /nfs/dbraw/zinc/20/54/49/340205449.db2.gz WHLBTSBPDUAEIQ-UHFFFAOYSA-N 0 3 323.465 4.337 20 30 DIEDHN COCCN(C/C(C)=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC000508566328 340246704 /nfs/dbraw/zinc/24/67/04/340246704.db2.gz FIXZMGRJKBLDOY-NBVRZTHBSA-N 0 3 320.436 4.110 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508600907 340247469 /nfs/dbraw/zinc/24/74/69/340247469.db2.gz RQMUEQNIGIYUTN-INIZCTEOSA-N 0 3 303.409 4.403 20 30 DIEDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508603982 340247708 /nfs/dbraw/zinc/24/77/08/340247708.db2.gz KWYNNOTYNOEXCW-HNNXBMFYSA-N 0 3 323.396 4.358 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)CC1=Cc2ccccc2OC1 ZINC000508625222 340248700 /nfs/dbraw/zinc/24/87/00/340248700.db2.gz JYJBJHWEWYQTCJ-UHFFFAOYSA-N 0 3 318.420 4.246 20 30 DIEDHN Cc1cc(C)cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000509052291 340259646 /nfs/dbraw/zinc/25/96/46/340259646.db2.gz DKFNXXBUKZMXJX-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN C[C@@H](CN1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000510886199 340313835 /nfs/dbraw/zinc/31/38/35/340313835.db2.gz AYKPDKQAHMTHCL-LBPRGKRZSA-N 0 3 314.326 4.137 20 30 DIEDHN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000511037012 340318930 /nfs/dbraw/zinc/31/89/30/340318930.db2.gz WKSTVEAEBHXBDG-KZULUSFZSA-N 0 3 310.372 4.044 20 30 DIEDHN Cc1ccc(C[C@H]2CCCN2Cc2ccc(F)cc2C#N)cc1 ZINC000303552588 340333359 /nfs/dbraw/zinc/33/33/59/340333359.db2.gz HGNGBZFCLVZQHA-HXUWFJFHSA-N 0 3 308.400 4.213 20 30 DIEDHN C=C(C)CNCc1ccc(Br)cc1C(F)(F)F ZINC000512344719 340358173 /nfs/dbraw/zinc/35/81/73/340358173.db2.gz ZHBPQULUNPVNKE-UHFFFAOYSA-N 0 3 308.141 4.134 20 30 DIEDHN C=C(C)CNCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000512346565 340358286 /nfs/dbraw/zinc/35/82/86/340358286.db2.gz NODXJPYVEZPRRR-UHFFFAOYSA-N 0 3 323.465 4.326 20 30 DIEDHN CCN(CCC(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000512449048 340362440 /nfs/dbraw/zinc/36/24/40/340362440.db2.gz AZKPXWJSRGEDPX-HNNXBMFYSA-N 0 3 324.399 4.353 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2cccc(F)c2)c1F ZINC000512479772 340363412 /nfs/dbraw/zinc/36/34/12/340363412.db2.gz IXGSZCRCUYJPCP-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(F)c3cccnc23)cc1 ZINC000512573611 340367545 /nfs/dbraw/zinc/36/75/45/340367545.db2.gz NIYXBQQABOPBNQ-UHFFFAOYSA-N 0 3 322.383 4.229 20 30 DIEDHN C[C@H](NCC(C)(C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512621036 340369436 /nfs/dbraw/zinc/36/94/36/340369436.db2.gz URHXBUVPBDFPFM-ZDUSSCGKSA-N 0 3 314.379 4.465 20 30 DIEDHN CCS[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512629388 340369843 /nfs/dbraw/zinc/36/98/43/340369843.db2.gz ITTZWXXOKRITAU-NWANDNLSSA-N 0 3 306.450 4.412 20 30 DIEDHN C[C@@H](N[C@@H](C)Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000512641877 340370538 /nfs/dbraw/zinc/37/05/38/340370538.db2.gz KTOGSJDFWGYGNO-QWHCGFSZSA-N 0 3 300.352 4.118 20 30 DIEDHN C[C@@H](NCC(C)(C)c1cccs1)c1ccc(C#N)cc1F ZINC000512642168 340370587 /nfs/dbraw/zinc/37/05/87/340370587.db2.gz MUMXHKDTKLPJJW-GFCCVEGCSA-N 0 3 302.418 4.387 20 30 DIEDHN C[C@@H](NCCOc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512641564 340370604 /nfs/dbraw/zinc/37/06/04/340370604.db2.gz IHZNOUJLOOCBDO-GFCCVEGCSA-N 0 3 318.779 4.080 20 30 DIEDHN C[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512653723 340371170 /nfs/dbraw/zinc/37/11/70/340371170.db2.gz GOPIKRJKCMDTQJ-QWHCGFSZSA-N 0 3 300.352 4.291 20 30 DIEDHN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000512655780 340371525 /nfs/dbraw/zinc/37/15/25/340371525.db2.gz WLXBGEZSMDNEFF-JCURWCKSSA-N 0 3 306.450 4.412 20 30 DIEDHN C[C@@H](NCC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512661068 340371677 /nfs/dbraw/zinc/37/16/77/340371677.db2.gz PSGCMALIPGGAMA-OAHLLOKOSA-N 0 3 308.400 4.371 20 30 DIEDHN Cc1cc(F)ccc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512671577 340372390 /nfs/dbraw/zinc/37/23/90/340372390.db2.gz FYRSWLXKGMKFQT-CYBMUJFWSA-N 0 3 300.352 4.038 20 30 DIEDHN N#Cc1csc(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000512767672 340376547 /nfs/dbraw/zinc/37/65/47/340376547.db2.gz UUASGWBRAKPFKN-UHFFFAOYSA-N 0 3 314.429 4.214 20 30 DIEDHN CN(CCCC(C)(C)C#N)Cc1ccccc1OC(F)(F)F ZINC000174815545 340396700 /nfs/dbraw/zinc/39/67/00/340396700.db2.gz XSHDOMRPMFNXGY-UHFFFAOYSA-N 0 3 314.351 4.347 20 30 DIEDHN C=CCC[C@H](NCCOc1ccc(F)c(F)c1)c1ccco1 ZINC000513684422 340419379 /nfs/dbraw/zinc/41/93/79/340419379.db2.gz RBTUDVXUAPXEQZ-INIZCTEOSA-N 0 3 307.340 4.234 20 30 DIEDHN N#Cc1cc(CNC2(c3ccc(F)cc3)CCCC2)ccc1F ZINC000176857809 340432963 /nfs/dbraw/zinc/43/29/63/340432963.db2.gz SCAIKDCQPOCFNQ-UHFFFAOYSA-N 0 3 312.363 4.396 20 30 DIEDHN N#Cc1ccc(CNCCOc2cccc(Cl)c2Cl)cc1 ZINC000520944787 340477399 /nfs/dbraw/zinc/47/73/99/340477399.db2.gz KOESJCRVTTVSQX-UHFFFAOYSA-N 0 3 321.207 4.034 20 30 DIEDHN CC(C)Oc1cccc([C@@H](C)NCc2ccc(C#N)c(F)c2)c1 ZINC000192150878 340563216 /nfs/dbraw/zinc/56/32/16/340563216.db2.gz IWQPAVBXIXDFGZ-CQSZACIVSA-N 0 3 312.388 4.335 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248423 340696972 /nfs/dbraw/zinc/69/69/72/340696972.db2.gz WHNBVFCXHRHKAP-GJZGRUSLSA-N 0 3 324.424 4.377 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1C)C1CC1 ZINC000539493407 340887107 /nfs/dbraw/zinc/88/71/07/340887107.db2.gz NIRWDCKSULSWBO-HXUWFJFHSA-N 0 3 306.409 4.116 20 30 DIEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539606683 340892155 /nfs/dbraw/zinc/89/21/55/340892155.db2.gz UCQCWRZCRKSWQQ-CRAIPNDOSA-N 0 3 323.415 4.017 20 30 DIEDHN C=CCCOCCN[C@H]1C[C@H](C)c2c1cccc2Br ZINC000540152115 340917726 /nfs/dbraw/zinc/91/77/26/340917726.db2.gz WFYNATKMNRFUFY-WFASDCNBSA-N 0 3 324.262 4.180 20 30 DIEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342379 340927786 /nfs/dbraw/zinc/92/77/86/340927786.db2.gz BBEPBSYAHIKGBB-UWVGGRQHSA-N 0 3 306.208 4.110 20 30 DIEDHN C=CCC[C@@H](NCC(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000540460420 340932147 /nfs/dbraw/zinc/93/21/47/340932147.db2.gz IPZRSZMILMNYCC-YLJYHZDGSA-N 0 3 322.452 4.161 20 30 DIEDHN C=CCOc1ccc(CNC(C)(C)c2cccs2)cc1OC ZINC000540607786 340938491 /nfs/dbraw/zinc/93/84/91/340938491.db2.gz XUHYYQQJVIJKKD-UHFFFAOYSA-N 0 3 317.454 4.346 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000542210353 341000194 /nfs/dbraw/zinc/00/01/94/341000194.db2.gz ORXVJPSKYUBBQS-UHFFFAOYSA-N 0 3 303.409 4.037 20 30 DIEDHN COc1cccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)c1 ZINC000542210162 341000211 /nfs/dbraw/zinc/00/02/11/341000211.db2.gz PRGXBJMWHZJCSE-FQEVSTJZSA-N 0 3 306.409 4.098 20 30 DIEDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(CC#N)cc2)C1 ZINC000542276945 341003017 /nfs/dbraw/zinc/00/30/17/341003017.db2.gz FIPWFJWUDBADGJ-YWZLYKJASA-N 0 3 308.400 4.475 20 30 DIEDHN CCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000542482934 341009486 /nfs/dbraw/zinc/00/94/86/341009486.db2.gz GQADSDSCZOTFPD-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN Clc1ccccc1C#CCN[C@@H](c1cccs1)C1CC1 ZINC000542512192 341011206 /nfs/dbraw/zinc/01/12/06/341011206.db2.gz NUJGSUAZJMGVNB-QGZVFWFLSA-N 0 3 301.842 4.494 20 30 DIEDHN N#CCC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000130566423 341028236 /nfs/dbraw/zinc/02/82/36/341028236.db2.gz XQLSMDXJZXLZGU-JGZYNSJSSA-N 0 3 321.380 4.243 20 30 DIEDHN CCN(Cc1ccc(CC#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000543139010 341033607 /nfs/dbraw/zinc/03/36/07/341033607.db2.gz JEHRTMYWDIMOKX-INIZCTEOSA-N 0 3 308.425 4.344 20 30 DIEDHN C=CCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413880 341042969 /nfs/dbraw/zinc/04/29/69/341042969.db2.gz CSPHOYQVABXUKH-UHFFFAOYSA-N 0 3 318.420 4.288 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2cccnc2)c1 ZINC000131176853 341063817 /nfs/dbraw/zinc/06/38/17/341063817.db2.gz WIZFWPABHRYJBR-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cc(C#N)cs2)c1 ZINC000544367271 341078369 /nfs/dbraw/zinc/07/83/69/341078369.db2.gz UTOGDPKSNQAEQA-FZKQIMNGSA-N 0 3 312.438 4.211 20 30 DIEDHN C=CCOc1ccc(CN[C@H](CC)CC(F)(F)F)cc1OC ZINC000544840818 341095905 /nfs/dbraw/zinc/09/59/05/341095905.db2.gz DNHGWEXZRSXOLM-CYBMUJFWSA-N 0 3 317.351 4.081 20 30 DIEDHN C[C@H](NC1CC(OCc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000545206791 341113911 /nfs/dbraw/zinc/11/39/11/341113911.db2.gz UCQTWEAFHDPAFO-NNGSBXSVSA-N 0 3 324.399 4.096 20 30 DIEDHN N#Cc1ccc(CNCC2(c3ccccc3Cl)CC2)s1 ZINC000132201546 341118318 /nfs/dbraw/zinc/11/83/18/341118318.db2.gz SPQROTFBJRXBSN-UHFFFAOYSA-N 0 3 302.830 4.095 20 30 DIEDHN N#Cc1csc(CNCC2(c3ccccc3Cl)CC2)c1 ZINC000132229085 341118982 /nfs/dbraw/zinc/11/89/82/341118982.db2.gz ZVPIDBNPGLUCCA-UHFFFAOYSA-N 0 3 302.830 4.095 20 30 DIEDHN N#CC(C(=O)c1csc2ccccc12)c1nc2ccccc2[nH]1 ZINC000073972346 341124203 /nfs/dbraw/zinc/12/42/03/341124203.db2.gz UCGFNDYIXOJYGV-GFCCVEGCSA-N 0 3 317.373 4.268 20 30 DIEDHN COc1ccc2ccccc2c1CNCc1cccc(C#N)c1 ZINC000074230994 341137127 /nfs/dbraw/zinc/13/71/27/341137127.db2.gz PXODIXFNLCPFGQ-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN C[C@@H](NC1CC(OCc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000545914658 341145873 /nfs/dbraw/zinc/14/58/73/341145873.db2.gz LLKSNQLMEHLDBF-FTXHTYHOSA-N 0 3 324.399 4.096 20 30 DIEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685717 341178718 /nfs/dbraw/zinc/17/87/18/341178718.db2.gz OFLFQLGOPYMFCI-GDBMZVCRSA-N 0 3 315.388 4.206 20 30 DIEDHN CC(C)(C#N)CCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000546690156 341178883 /nfs/dbraw/zinc/17/88/83/341178883.db2.gz BQCKJDXZGAITEL-UHFFFAOYSA-N 0 3 304.384 4.384 20 30 DIEDHN N#CC(C(=O)c1ccc(C2CCCCC2)cc1)c1ccncn1 ZINC000546860889 341183913 /nfs/dbraw/zinc/18/39/13/341183913.db2.gz SVGVSWDUTAPUTH-KRWDZBQOSA-N 0 3 305.381 4.014 20 30 DIEDHN CC(C)(C)c1cccc(OCCNCc2cc(C#N)cs2)c1 ZINC000236617335 341189483 /nfs/dbraw/zinc/18/94/83/341189483.db2.gz OVTFBTGFNIWQPB-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN CC(C)(C)c1ccccc1OCCNCc1cc(C#N)cs1 ZINC000236756795 341198402 /nfs/dbraw/zinc/19/84/02/341198402.db2.gz JOWJLORQKDXWLY-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN C[C@@H](CNCc1ccc(C#N)o1)c1c(Cl)cccc1Cl ZINC000237360291 341212464 /nfs/dbraw/zinc/21/24/64/341212464.db2.gz OBRFLQCMWCBHJO-JTQLQIEISA-N 0 3 309.196 4.351 20 30 DIEDHN COc1ccc(C2(CNCc3ccc(C#N)o3)CCCCC2)cc1 ZINC000237496075 341214994 /nfs/dbraw/zinc/21/49/94/341214994.db2.gz CJQJJWAWPVWITO-UHFFFAOYSA-N 0 3 324.424 4.152 20 30 DIEDHN CCC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832729 341236465 /nfs/dbraw/zinc/23/64/65/341236465.db2.gz RAOXOGFMIGGXSM-WBVHZDCISA-N 0 3 324.428 4.057 20 30 DIEDHN CCN(Cc1ccc(C#N)cc1F)[C@@H](C)Cc1ccsc1 ZINC000547974347 341241355 /nfs/dbraw/zinc/24/13/55/341241355.db2.gz PNAPZPYJDRBFMG-ZDUSSCGKSA-N 0 3 302.418 4.212 20 30 DIEDHN CCN(Cc1ccc(C#N)cc1F)[C@H](C)Cc1ccsc1 ZINC000547974346 341241430 /nfs/dbraw/zinc/24/14/30/341241430.db2.gz PNAPZPYJDRBFMG-CYBMUJFWSA-N 0 3 302.418 4.212 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000135667478 341243499 /nfs/dbraw/zinc/24/34/99/341243499.db2.gz OHRRHHPGPUEWCN-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000135680617 341244084 /nfs/dbraw/zinc/24/40/84/341244084.db2.gz YZBHZWAEEQBAAQ-CYBMUJFWSA-N 0 3 300.427 4.258 20 30 DIEDHN C=CCOCCN[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000549999105 341308436 /nfs/dbraw/zinc/30/84/36/341308436.db2.gz QHOQUAPDQZMWJM-QGZVFWFLSA-N 0 3 311.425 4.119 20 30 DIEDHN N#Cc1ccccc1COc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000550320365 341315151 /nfs/dbraw/zinc/31/51/51/341315151.db2.gz QVPUTCWFCQZZKD-UXHICEINSA-N 0 3 324.399 4.117 20 30 DIEDHN N#Cc1cccc(C2(NCCc3c(F)cccc3Cl)CC2)c1 ZINC000551410793 341340873 /nfs/dbraw/zinc/34/08/73/341340873.db2.gz DWICLGWLJOMNFD-UHFFFAOYSA-N 0 3 314.791 4.172 20 30 DIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCC2 ZINC000551557728 341345269 /nfs/dbraw/zinc/34/52/69/341345269.db2.gz HHVPPAIEDISAPE-CYBMUJFWSA-N 0 3 308.450 4.448 20 30 DIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCC2 ZINC000551813246 341352701 /nfs/dbraw/zinc/35/27/01/341352701.db2.gz PPINNRMLVSKXII-OAHLLOKOSA-N 0 3 302.421 4.387 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3Br)C1 ZINC000248925517 341390209 /nfs/dbraw/zinc/39/02/09/341390209.db2.gz XCETVUFJZFSCOR-HSMVNMDESA-N 0 3 319.246 4.108 20 30 DIEDHN CC(C#N)C(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000552411245 341392120 /nfs/dbraw/zinc/39/21/20/341392120.db2.gz SBSVYPMNCVHCRT-DAXOMENPSA-N 0 3 304.821 4.032 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000552586428 341399839 /nfs/dbraw/zinc/39/98/39/341399839.db2.gz HAFGKANXQKUYOP-SFHVURJKSA-N 0 3 308.400 4.152 20 30 DIEDHN C=C(C)COCCN[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000090450901 341415896 /nfs/dbraw/zinc/41/58/96/341415896.db2.gz CGZLFHCVKMDXPC-AWEZNQCLSA-N 0 3 316.470 4.362 20 30 DIEDHN C[C@@H](NCCSc1ccccc1F)c1ccc(C#N)cc1 ZINC000554848769 341466536 /nfs/dbraw/zinc/46/65/36/341466536.db2.gz OMAOBOPOUGSLIK-CYBMUJFWSA-N 0 3 300.402 4.140 20 30 DIEDHN COc1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218254 341520362 /nfs/dbraw/zinc/52/03/62/341520362.db2.gz MHPHOLXZGVBDRX-MAUKXSAKSA-N 0 3 309.413 4.176 20 30 DIEDHN Cc1ccc(C)c(OC2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000157784698 341645476 /nfs/dbraw/zinc/64/54/76/341645476.db2.gz KSUPRAICXBEZPH-UHFFFAOYSA-N 0 3 300.446 4.087 20 30 DIEDHN CC[C@]1(CN[C@H](C)c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000568807395 341682312 /nfs/dbraw/zinc/68/23/12/341682312.db2.gz PYPZNWNKYACZQK-IIBYNOLFSA-N 0 3 320.436 4.087 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000576077684 341824545 /nfs/dbraw/zinc/82/45/45/341824545.db2.gz ZGZASTPBOVMWHX-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)s1 ZINC000175978389 341854736 /nfs/dbraw/zinc/85/47/36/341854736.db2.gz XCYQOOYWLDULBM-DIFFPNOSSA-N 0 3 300.402 4.172 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cc(C#N)cs1 ZINC000175978180 341854782 /nfs/dbraw/zinc/85/47/82/341854782.db2.gz QUPPMICMHOIEJX-DIFFPNOSSA-N 0 3 300.402 4.172 20 30 DIEDHN N#Cc1ccc(CNCCCSc2ccc(F)cc2)s1 ZINC000176941457 341905597 /nfs/dbraw/zinc/90/55/97/341905597.db2.gz VWQXOOONIBWUFA-UHFFFAOYSA-N 0 3 306.431 4.031 20 30 DIEDHN C[C@@H](NCc1cccc(-c2ccccn2)c1)c1cccc(C#N)c1 ZINC000178749241 341963590 /nfs/dbraw/zinc/96/35/90/341963590.db2.gz CFSWPMJKAITPCU-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCC[C@H](NCCc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000556873418 517328673 /nfs/dbraw/zinc/32/86/73/517328673.db2.gz XJZJALZTDCYFEE-IBGZPJMESA-N 0 3 321.424 4.305 20 30 DIEDHN CC(C)c1nc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)no1 ZINC000265579071 519860759 /nfs/dbraw/zinc/86/07/59/519860759.db2.gz XWPCUHLRGXNZMI-AWEZNQCLSA-N 0 3 324.428 4.005 20 30 DIEDHN CCCCN(CCCC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173460923 520495999 /nfs/dbraw/zinc/49/59/99/520495999.db2.gz WJYCSWODTGOWAF-UHFFFAOYSA-N 0 3 312.417 4.010 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721075 522738077 /nfs/dbraw/zinc/73/80/77/522738077.db2.gz YUKSZOKUGRQIRO-ACJLOTCBSA-N 0 3 309.369 4.268 20 30 DIEDHN CC[C@@H](N[C@@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015266 522927320 /nfs/dbraw/zinc/92/73/20/522927320.db2.gz HSVRZYILLQDRQL-RTBURBONSA-N 0 3 324.399 4.434 20 30 DIEDHN C[C@@H]1C[C@H]1[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212954 525501568 /nfs/dbraw/zinc/50/15/68/525501568.db2.gz NATCBFHYKFBTPV-NXOUGTEYSA-N 0 3 313.832 4.037 20 30 DIEDHN C[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccc(C#N)cc1 ZINC000266186457 525527980 /nfs/dbraw/zinc/52/79/80/525527980.db2.gz HKLOVPLAIRDTQU-CYBMUJFWSA-N 0 3 316.351 4.053 20 30 DIEDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072199 525543335 /nfs/dbraw/zinc/54/33/35/525543335.db2.gz ODGGWVZWTXHPOP-MDKPJZGXSA-N 0 3 320.436 4.377 20 30 DIEDHN COc1ccc2oc([C@@H](C)NCc3ccc(C#N)cc3)c(C)c2c1 ZINC000237319254 525689310 /nfs/dbraw/zinc/68/93/10/525689310.db2.gz WIDIRLUEUNIXQM-CQSZACIVSA-N 0 3 320.392 4.472 20 30 DIEDHN Cn1cc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1C#N ZINC000190899671 527220663 /nfs/dbraw/zinc/22/06/63/527220663.db2.gz ZIIJGQRTFQZNOE-LJQANCHMSA-N 0 3 311.404 4.057 20 30 DIEDHN CN(C)/C=N/c1ccc(NCc2ccccc2C2CC2)cc1C#N ZINC001167052096 1035589560 /nfs/dbraw/zinc/58/95/60/1035589560.db2.gz JCFZSWRJJLHYLI-OEAKJJBVSA-N 0 3 318.424 4.269 20 30 DIEDHN N#CC(C(=O)c1cccc(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000654999499 1035673236 /nfs/dbraw/zinc/67/32/36/1035673236.db2.gz NDORWXIZBGNYFO-HNNXBMFYSA-N 0 3 308.406 4.388 20 30 DIEDHN CCCCCCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC001167267645 1036351341 /nfs/dbraw/zinc/35/13/41/1036351341.db2.gz GYZMYZPNZHDPID-LJQANCHMSA-N 0 3 316.489 4.300 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965849 1036645518 /nfs/dbraw/zinc/64/55/18/1036645518.db2.gz QCQSUUWZVWJGEV-MEDUHNTESA-N 0 3 300.402 4.487 20 30 DIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC(C)C ZINC000610345179 1036838412 /nfs/dbraw/zinc/83/84/12/1036838412.db2.gz XAXIYDNMGXWXMO-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN COc1ccc(C2(NCc3cc(C#N)cs3)CCCC2)cc1 ZINC000177702452 1036914177 /nfs/dbraw/zinc/91/41/77/1036914177.db2.gz WYQSPQDWCILHNS-UHFFFAOYSA-N 0 3 312.438 4.187 20 30 DIEDHN CSCc1cc(F)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000124897890 1037053494 /nfs/dbraw/zinc/05/34/94/1037053494.db2.gz BONPVZNVWIFWDF-ZDUSSCGKSA-N 0 3 314.429 4.411 20 30 DIEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CCCCC2)cc1 ZINC001203155710 1037257501 /nfs/dbraw/zinc/25/75/01/1037257501.db2.gz FAFVLHQRPRWVOH-MRXNPFEDSA-N 0 3 300.446 4.080 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096396 1037513932 /nfs/dbraw/zinc/51/39/32/1037513932.db2.gz DSWXIJYQQRSZEK-ACJLOTCBSA-N 0 3 324.449 4.455 20 30 DIEDHN N#CCC[C@@H](C#N)CNCC1(c2ccccc2)CCCCCC1 ZINC000558506834 1037580013 /nfs/dbraw/zinc/58/00/13/1037580013.db2.gz PEYQHHBAXBBFTF-SFHVURJKSA-N 0 3 309.457 4.312 20 30 DIEDHN C=CCCCCCN(C)[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001167461727 1037635770 /nfs/dbraw/zinc/63/57/70/1037635770.db2.gz QFQYFAPXPBQELG-SFHVURJKSA-N 0 3 302.462 4.390 20 30 DIEDHN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCCC(C)(C)C#N ZINC000581862662 1038037939 /nfs/dbraw/zinc/03/79/39/1038037939.db2.gz RMRHFBLFCZVFSK-HNNXBMFYSA-N 0 3 319.880 4.180 20 30 DIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000178178002 1038038525 /nfs/dbraw/zinc/03/85/25/1038038525.db2.gz RBBHCXODKZXNQY-CVEARBPZSA-N 0 3 316.408 4.156 20 30 DIEDHN COc1cccc(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000602693055 1038068174 /nfs/dbraw/zinc/06/81/74/1038068174.db2.gz AGEQILBRJCYBDN-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN N#CCC1(CN2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000602787168 1038087297 /nfs/dbraw/zinc/08/72/97/1038087297.db2.gz ZWNKAAQVPGPDQC-CQSZACIVSA-N 0 3 311.454 4.170 20 30 DIEDHN Cc1cccc2nc(C3CCN(CC4(CC#N)CC4)CC3)oc21 ZINC000602817669 1038094932 /nfs/dbraw/zinc/09/49/32/1038094932.db2.gz YGKMFCAYILVFIM-UHFFFAOYSA-N 0 3 309.413 4.010 20 30 DIEDHN C[C@H](c1ccc(F)cc1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909721 1038106734 /nfs/dbraw/zinc/10/67/34/1038106734.db2.gz MHJIBXPRFIAVQD-CQSZACIVSA-N 0 3 309.388 4.033 20 30 DIEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000598619140 1038135402 /nfs/dbraw/zinc/13/54/02/1038135402.db2.gz BLLPENVCLDJMFO-DLBZAZTESA-N 0 3 320.864 4.168 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3ncccc3c2)n1 ZINC000131176795 1038206751 /nfs/dbraw/zinc/20/67/51/1038206751.db2.gz GTJIWODVCSCFNG-CQSZACIVSA-N 0 3 321.405 4.305 20 30 DIEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1C(F)(F)F ZINC000599046971 1038223458 /nfs/dbraw/zinc/22/34/58/1038223458.db2.gz UZKPWRQVUKXZOW-SNVBAGLBSA-N 0 3 300.299 4.189 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccccn1)C1CCC1 ZINC000599068193 1038230928 /nfs/dbraw/zinc/23/09/28/1038230928.db2.gz LULYMDLUUZOMOP-PZJWPPBQSA-N 0 3 317.436 4.462 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2c1cccc2F ZINC000341700038 1038234355 /nfs/dbraw/zinc/23/43/55/1038234355.db2.gz SPDPOJVNKRXVLY-UXHICEINSA-N 0 3 306.384 4.352 20 30 DIEDHN C=C(CN[C@@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000684552491 1038256237 /nfs/dbraw/zinc/25/62/37/1038256237.db2.gz RCTJLATXDQNBTN-ZDUSSCGKSA-N 0 3 317.230 4.208 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760626 1038263796 /nfs/dbraw/zinc/26/37/96/1038263796.db2.gz MGZLJYDDOKAQFK-DJJJIMSYSA-N 0 3 321.380 4.195 20 30 DIEDHN Cc1nc(C)c([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341761524 1038264361 /nfs/dbraw/zinc/26/43/61/1038264361.db2.gz PLVORAKKYGBOHS-SJCJKPOMSA-N 0 3 311.454 4.360 20 30 DIEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000599353573 1038273253 /nfs/dbraw/zinc/27/32/53/1038273253.db2.gz IZQXBIGMDKYLHE-SFHVURJKSA-N 0 3 309.369 4.016 20 30 DIEDHN N#Cc1ccccc1CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890016 1038312618 /nfs/dbraw/zinc/31/26/18/1038312618.db2.gz KRJPRUYTBMNYMB-IBGZPJMESA-N 0 3 315.420 4.419 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H](CCCc3ccccc3)C2)ccn1 ZINC000610995580 1038425853 /nfs/dbraw/zinc/42/58/53/1038425853.db2.gz LOLNQUMMPXNFDQ-IBGZPJMESA-N 0 3 319.452 4.188 20 30 DIEDHN C=CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000061799668 1038455669 /nfs/dbraw/zinc/45/56/69/1038455669.db2.gz GXCSMCRRCAELRM-UHFFFAOYSA-N 0 3 303.409 4.157 20 30 DIEDHN CSc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768722 1038486417 /nfs/dbraw/zinc/48/64/17/1038486417.db2.gz KPFCPWYPBWWABE-AWEZNQCLSA-N 0 3 312.438 4.162 20 30 DIEDHN C[C@H](Cc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000172661585 1038632429 /nfs/dbraw/zinc/63/24/29/1038632429.db2.gz QCEASMZPJVTUQO-OCCSQVGLSA-N 0 3 322.339 4.022 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000606902701 1038638649 /nfs/dbraw/zinc/63/86/49/1038638649.db2.gz SIJIPBAZZKAETG-OAHLLOKOSA-N 0 3 322.880 4.195 20 30 DIEDHN Cc1cnc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000277588738 1038661529 /nfs/dbraw/zinc/66/15/29/1038661529.db2.gz WNODRBRWMISNCC-CQSZACIVSA-N 0 3 311.454 4.264 20 30 DIEDHN N#Cc1ccc(CNC/C=C/c2ccccc2)c(C(F)(F)F)c1 ZINC000562071174 1038684519 /nfs/dbraw/zinc/68/45/19/1038684519.db2.gz WYKTUPCPVVGLMB-QPJJXVBHSA-N 0 3 316.326 4.380 20 30 DIEDHN C=CC[C@H](CC)NCc1csc(-c2ccc(OC)cc2)n1 ZINC000684930489 1038717276 /nfs/dbraw/zinc/71/72/76/1038717276.db2.gz DDMJPZWVOKKAJH-AWEZNQCLSA-N 0 3 302.443 4.263 20 30 DIEDHN N#CC(=C([O-])c1ccoc1C1CC1)c1nccc2ccccc21 ZINC000342680806 1038718213 /nfs/dbraw/zinc/71/82/13/1038718213.db2.gz XKQUVCOPANJCLJ-INIZCTEOSA-N 0 3 302.333 4.195 20 30 DIEDHN N#CC(C(=O)c1ccoc1C1CC1)c1nccc2ccccc21 ZINC000342680806 1038718222 /nfs/dbraw/zinc/71/82/22/1038718222.db2.gz XKQUVCOPANJCLJ-INIZCTEOSA-N 0 3 302.333 4.195 20 30 DIEDHN CC(C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342711108 1038734206 /nfs/dbraw/zinc/73/42/06/1038734206.db2.gz VDJXKXFYMOCAOJ-IBGZPJMESA-N 0 3 318.424 4.083 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cc(Cl)cc2cccnc21 ZINC000046518388 1038752538 /nfs/dbraw/zinc/75/25/38/1038752538.db2.gz PBYTVEQLMWSYTE-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(C(F)(F)F)s1 ZINC000657530760 1038764970 /nfs/dbraw/zinc/76/49/70/1038764970.db2.gz SSAWJBXLKGAQEB-QWRGUYRKSA-N 0 3 304.381 4.386 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC2CCCC2)c1 ZINC000173964158 1038826961 /nfs/dbraw/zinc/82/69/61/1038826961.db2.gz AYDROYDIKJPFEW-KRWDZBQOSA-N 0 3 312.413 4.003 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000608909313 1038937952 /nfs/dbraw/zinc/93/79/52/1038937952.db2.gz JHBKQDBWJIJSPJ-LJQANCHMSA-N 0 3 308.400 4.295 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)c(F)c1 ZINC000608977272 1038950359 /nfs/dbraw/zinc/95/03/59/1038950359.db2.gz ATYVXEOVUXQEDC-GOSISDBHSA-N 0 3 308.400 4.467 20 30 DIEDHN C[C@H](NCc1cccc(-c2ccccn2)c1)c1cccc(C#N)c1 ZINC000178749229 1039092250 /nfs/dbraw/zinc/09/22/50/1039092250.db2.gz CFSWPMJKAITPCU-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000193005955 1039203021 /nfs/dbraw/zinc/20/30/21/1039203021.db2.gz RYQPOVHXAZKFNZ-MRXNPFEDSA-N 0 3 324.424 4.227 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000539607268 1039299098 /nfs/dbraw/zinc/29/90/98/1039299098.db2.gz ICHPHKSJRNPFPK-ADLFWFRXSA-N 0 3 324.399 4.126 20 30 DIEDHN FC(F)(F)c1ccc(C#CCNC/C=C\c2ccccc2)cc1 ZINC000539704393 1039321414 /nfs/dbraw/zinc/32/14/14/1039321414.db2.gz SBGKIEHZIAFHFE-YWEYNIOJSA-N 0 3 315.338 4.360 20 30 DIEDHN C=CCC[C@H](O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000245999775 1039405830 /nfs/dbraw/zinc/40/58/30/1039405830.db2.gz ILROFOISDCEHCZ-GUYCJALGSA-N 0 3 319.495 4.084 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278354988 1039410649 /nfs/dbraw/zinc/41/06/49/1039410649.db2.gz ZRXQVPSAIMQION-JLTOFOAXSA-N 0 3 321.424 4.319 20 30 DIEDHN CCc1ccc([C@@H](C)NCCSCc2ccccc2C#N)o1 ZINC000540170727 1039437018 /nfs/dbraw/zinc/43/70/18/1039437018.db2.gz NJTBVCFMAVXFEZ-CQSZACIVSA-N 0 3 314.454 4.298 20 30 DIEDHN N#CCC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000540995201 1039607825 /nfs/dbraw/zinc/60/78/25/1039607825.db2.gz OOTUXVSPYAZBRJ-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccc(C#N)o1 ZINC000584318642 1039671040 /nfs/dbraw/zinc/67/10/40/1039671040.db2.gz SZHBNRNOWCNCER-LBPRGKRZSA-N 0 3 322.330 4.233 20 30 DIEDHN C=C(C)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541588277 1039714078 /nfs/dbraw/zinc/71/40/78/1039714078.db2.gz CJASVVZCJNSXRN-GOSISDBHSA-N 0 3 309.388 4.082 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152007189 1039935615 /nfs/dbraw/zinc/93/56/15/1039935615.db2.gz MLYCDRFAGYVWSJ-OAHLLOKOSA-N 0 3 323.440 4.356 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(COC(C)(C)C)on1 ZINC000657982115 1040246199 /nfs/dbraw/zinc/24/61/99/1040246199.db2.gz UYDRPZJTKCEVBN-YOEHRIQHSA-N 0 3 306.450 4.214 20 30 DIEDHN CC(C)(C#N)CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000612585258 1040646468 /nfs/dbraw/zinc/64/64/68/1040646468.db2.gz UAWSUOPIJWLAGU-GJZGRUSLSA-N 0 3 310.363 4.481 20 30 DIEDHN CC[C@@H](C)Oc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000175082773 1041034747 /nfs/dbraw/zinc/03/47/47/1041034747.db2.gz YVQWPDANEYUYQO-DOMZBBRYSA-N 0 3 314.410 4.119 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OCCCC)c(OC)c2)cc1 ZINC000809606049 1041191959 /nfs/dbraw/zinc/19/19/59/1041191959.db2.gz SXGVSPLSRUATQY-UHFFFAOYSA-N 0 3 323.436 4.145 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000809606424 1041192793 /nfs/dbraw/zinc/19/27/93/1041192793.db2.gz QUMMMTLOYIUJDW-ZDUSSCGKSA-N 0 3 301.336 4.120 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000809603118 1041201897 /nfs/dbraw/zinc/20/18/97/1041201897.db2.gz AISWZHJMJRKADE-CYBMUJFWSA-N 0 3 301.336 4.120 20 30 DIEDHN C#Cc1ccc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000809627123 1041207270 /nfs/dbraw/zinc/20/72/70/1041207270.db2.gz OJSWBRJMVAGQRG-CYBMUJFWSA-N 0 3 319.326 4.417 20 30 DIEDHN CC[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1 ZINC000278805623 1041215809 /nfs/dbraw/zinc/21/58/09/1041215809.db2.gz RNVIQLBALVLJPX-GOSISDBHSA-N 0 3 323.440 4.371 20 30 DIEDHN N#CC(C(=O)c1ccc(C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000659115946 1041221993 /nfs/dbraw/zinc/22/19/93/1041221993.db2.gz KYTFNHJEZSRDND-OAHLLOKOSA-N 0 3 308.406 4.388 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000613540423 1041224059 /nfs/dbraw/zinc/22/40/59/1041224059.db2.gz XRPXONLMVODOOO-QGZVFWFLSA-N 0 3 314.473 4.492 20 30 DIEDHN C#C[C@@H](C)NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000809683964 1041225601 /nfs/dbraw/zinc/22/56/01/1041225601.db2.gz SXARCBWQOJYYNL-CYBMUJFWSA-N 0 3 315.848 4.070 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000189347046 1041306108 /nfs/dbraw/zinc/30/61/08/1041306108.db2.gz VTCQCVULDURXGL-CYBMUJFWSA-N 0 3 316.351 4.353 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3sccc3c2)cc1 ZINC000810160023 1041329449 /nfs/dbraw/zinc/32/94/49/1041329449.db2.gz QXWGTVBRZRZXTI-CQSZACIVSA-N 0 3 322.433 4.482 20 30 DIEDHN CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1OC ZINC000810208660 1041347727 /nfs/dbraw/zinc/34/77/27/1041347727.db2.gz FIVQEOTYYOZPFE-MOPGFXCFSA-N 0 3 306.409 4.295 20 30 DIEDHN CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1OC ZINC000728712051 1041479274 /nfs/dbraw/zinc/47/92/74/1041479274.db2.gz WQHSPGWUNXCKEG-HNAYVOBHSA-N 0 3 324.424 4.227 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000728715214 1041482691 /nfs/dbraw/zinc/48/26/91/1041482691.db2.gz PYLVSFDDIUFKCL-HNNXBMFYSA-N 0 3 324.399 4.286 20 30 DIEDHN N#CC(=C([O-])c1cc2c(s1)CCCCCC2)c1ccccn1 ZINC000046706005 1041507599 /nfs/dbraw/zinc/50/75/99/1041507599.db2.gz XUVBMAKORLMEGS-CQSZACIVSA-N 0 3 310.422 4.292 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCCCCC2)c1ccccn1 ZINC000046706005 1041507606 /nfs/dbraw/zinc/50/76/06/1041507606.db2.gz XUVBMAKORLMEGS-CQSZACIVSA-N 0 3 310.422 4.292 20 30 DIEDHN CC(C)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375925 1041668243 /nfs/dbraw/zinc/66/82/43/1041668243.db2.gz ZYNSAWROFHAEIP-ICSRJNTNSA-N 0 3 323.415 4.457 20 30 DIEDHN N#CC(C(=O)CCCC1CC1)c1nc2ccccc2n1C(F)F ZINC000813060744 1041670495 /nfs/dbraw/zinc/67/04/95/1041670495.db2.gz ITVUBCYKDNBFNL-LBPRGKRZSA-N 0 3 317.339 4.188 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000566624234 1041750439 /nfs/dbraw/zinc/75/04/39/1041750439.db2.gz PNLOWVJCETUCBY-BBRMVZONSA-N 0 3 308.347 4.342 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1 ZINC000093149408 1041884428 /nfs/dbraw/zinc/88/44/28/1041884428.db2.gz YCWQFSZKCALWQU-HOTGVXAUSA-N 0 3 306.409 4.097 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C)cc2)o1 ZINC000661117357 1041889258 /nfs/dbraw/zinc/88/92/58/1041889258.db2.gz QGYILJFBGMCILE-DOTOQJQBSA-N 0 3 311.429 4.270 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C)cc2)o1 ZINC000661117360 1041889965 /nfs/dbraw/zinc/88/99/65/1041889965.db2.gz QGYILJFBGMCILE-WBVHZDCISA-N 0 3 311.429 4.270 20 30 DIEDHN CC(C)(C)c1csc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000815031973 1041907786 /nfs/dbraw/zinc/90/77/86/1041907786.db2.gz MFSMQYICNSMDPZ-DZGCQCFKSA-N 0 3 317.502 4.312 20 30 DIEDHN C=CCOCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000815078147 1041911587 /nfs/dbraw/zinc/91/15/87/1041911587.db2.gz PKDLYAQWDOADMB-KRWDZBQOSA-N 0 3 311.425 4.158 20 30 DIEDHN C=CCOCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000815078147 1041911590 /nfs/dbraw/zinc/91/15/90/1041911590.db2.gz PKDLYAQWDOADMB-KRWDZBQOSA-N 0 3 311.425 4.158 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000815593862 1041969604 /nfs/dbraw/zinc/96/96/04/1041969604.db2.gz ZLGWJQZWYGOOIN-INIZCTEOSA-N 0 3 305.421 4.427 20 30 DIEDHN C=CCOc1ccc(CNC2(c3ccccc3)CCC2)cc1OC ZINC000065275714 1042135555 /nfs/dbraw/zinc/13/55/55/1042135555.db2.gz MEOVFUDYFRKTBV-UHFFFAOYSA-N 0 3 323.436 4.429 20 30 DIEDHN CC(C)n1cncc1CN=Nc1cc(C(F)(F)F)ccc1F ZINC000819809287 1042195893 /nfs/dbraw/zinc/19/58/93/1042195893.db2.gz QKBBUTCSKUIRDJ-UHFFFAOYSA-N 0 3 314.286 4.068 20 30 DIEDHN CC(C)(C#N)CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000585767188 1042245246 /nfs/dbraw/zinc/24/52/46/1042245246.db2.gz JSFLGLBJOBKRGX-GJZGRUSLSA-N 0 3 310.363 4.481 20 30 DIEDHN COc1ccc([C@@H](NCc2cc(C#N)ccc2OC)C(C)C)cc1 ZINC000182050422 1042264580 /nfs/dbraw/zinc/26/45/80/1042264580.db2.gz KUSFXYDXPFQMHC-FQEVSTJZSA-N 0 3 324.424 4.062 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525424 1042288806 /nfs/dbraw/zinc/28/88/06/1042288806.db2.gz GQODFAGBKFWFMB-CVEARBPZSA-N 0 3 319.408 4.042 20 30 DIEDHN C=CCSCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000319971644 1042299865 /nfs/dbraw/zinc/29/98/65/1042299865.db2.gz LGDGLQZGYNNNGN-IBGZPJMESA-N 0 3 313.466 4.293 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(F)F)c(F)c1 ZINC000894102750 1042420288 /nfs/dbraw/zinc/42/02/88/1042420288.db2.gz QCOIZGULFKIKAS-QGZVFWFLSA-N 0 3 316.326 4.412 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685014 1042420659 /nfs/dbraw/zinc/42/06/59/1042420659.db2.gz NLHXCKFUGSCNHI-GJZGRUSLSA-N 0 3 324.380 4.019 20 30 DIEDHN CN(CCOCc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171207 1042421340 /nfs/dbraw/zinc/42/13/40/1042421340.db2.gz FUMCWCJWECLWBC-UHFFFAOYSA-N 0 3 322.452 4.136 20 30 DIEDHN Cc1cc(C#N)ccc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000614397711 1042491111 /nfs/dbraw/zinc/49/11/11/1042491111.db2.gz UBNDOCFQXJKEJP-OAQYLSRUSA-N 0 3 320.436 4.048 20 30 DIEDHN Fc1ccc(C#CCN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC001167927612 1042492564 /nfs/dbraw/zinc/49/25/64/1042492564.db2.gz JOGANCKUWSKQMY-FQEVSTJZSA-N 0 3 311.375 4.447 20 30 DIEDHN C=CCc1cc(CN(C)Cc2ccc(C)s2)cc(OC)c1O ZINC000513430496 1042540653 /nfs/dbraw/zinc/54/06/53/1042540653.db2.gz TYFRIBLIPYPMHX-UHFFFAOYSA-N 0 3 317.454 4.131 20 30 DIEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618803187 1042600024 /nfs/dbraw/zinc/60/00/24/1042600024.db2.gz HJJBUWNKPSFBCE-AUUYWEPGSA-N 0 3 306.409 4.213 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2c1cc(F)cc2F ZINC000618808136 1042626340 /nfs/dbraw/zinc/62/63/40/1042626340.db2.gz ZINOUOCMCKAXMP-OALUTQOASA-N 0 3 310.347 4.101 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3cnccc3c2)C2CC2)cc1 ZINC000618808898 1042627663 /nfs/dbraw/zinc/62/76/63/1042627663.db2.gz GEKKZKGSYBWHSW-UHFFFAOYSA-N 0 3 313.404 4.271 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000424191411 1042729461 /nfs/dbraw/zinc/72/94/61/1042729461.db2.gz HJUVURVQGALKPH-IINYFYTJSA-N 0 3 323.223 4.051 20 30 DIEDHN COc1ccc(-c2ccccc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195651 1042729511 /nfs/dbraw/zinc/72/95/11/1042729511.db2.gz MLPWZDLZPHSEGG-HNAYVOBHSA-N 0 3 306.409 4.144 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000516918711 1042859601 /nfs/dbraw/zinc/85/96/01/1042859601.db2.gz XJQZPLTWDUOAJO-CQSZACIVSA-N 0 3 308.347 4.199 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000517042841 1042864523 /nfs/dbraw/zinc/86/45/23/1042864523.db2.gz DYHKGUMQRXMJHS-HNNXBMFYSA-N 0 3 308.347 4.113 20 30 DIEDHN CSc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1F ZINC000151377559 1042989137 /nfs/dbraw/zinc/98/91/37/1042989137.db2.gz LACJEYRXJGGARO-GFCCVEGCSA-N 0 3 300.402 4.270 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(O)cc(Cl)c1 ZINC000894963740 1043051909 /nfs/dbraw/zinc/05/19/09/1043051909.db2.gz APXQTKRBVSJWLS-SFHVURJKSA-N 0 3 312.800 4.084 20 30 DIEDHN CC(C)C(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173857647 1043054413 /nfs/dbraw/zinc/05/44/13/1043054413.db2.gz FUZHGTHWKMQHGP-HNNXBMFYSA-N 0 3 321.424 4.004 20 30 DIEDHN CC[C@@H](C)[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476513 1043163592 /nfs/dbraw/zinc/16/35/92/1043163592.db2.gz KAQKZDHPGKBDLN-RHSMWYFYSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476512 1043165479 /nfs/dbraw/zinc/16/54/79/1043165479.db2.gz KAQKZDHPGKBDLN-PBHICJAKSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@H](C)[C@@H](C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491702 1043183215 /nfs/dbraw/zinc/18/32/15/1043183215.db2.gz OZENRJQYGRETHW-UONOGXRCSA-N 0 3 324.428 4.007 20 30 DIEDHN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000866610493 1043234454 /nfs/dbraw/zinc/23/44/54/1043234454.db2.gz UJNGZYMJTVKURO-WDBKCZKBSA-N 0 3 312.310 4.245 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000122177387 1043284849 /nfs/dbraw/zinc/28/48/49/1043284849.db2.gz IHAMHONTJXTJRP-CABCVRRESA-N 0 3 312.388 4.310 20 30 DIEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268789262 1043332301 /nfs/dbraw/zinc/33/23/01/1043332301.db2.gz FIGGPRZWUODVAJ-KBPBESRZSA-N 0 3 309.369 4.187 20 30 DIEDHN CCOc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000442779283 1043415899 /nfs/dbraw/zinc/41/58/99/1043415899.db2.gz LTBBFSXYILSDJB-OZOXKJRCSA-N 0 3 320.436 4.457 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431632 1043417091 /nfs/dbraw/zinc/41/70/91/1043417091.db2.gz DFQYMKIWKXQNHI-CRAIPNDOSA-N 0 3 309.409 4.119 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767417 1043422109 /nfs/dbraw/zinc/42/21/09/1043422109.db2.gz MQHQCZRHTRXTSY-HMXCVIKNSA-N 0 3 320.436 4.226 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790755 1043423510 /nfs/dbraw/zinc/42/35/10/1043423510.db2.gz HNCALPRWOKIYRC-HLIPFELVSA-N 0 3 308.400 4.391 20 30 DIEDHN CCCCCOc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442799803 1043426601 /nfs/dbraw/zinc/42/66/01/1043426601.db2.gz ZYOVXCKZKRKUMN-WMZOPIPTSA-N 0 3 300.446 4.346 20 30 DIEDHN COc1cc(CN(Cc2ccco2)C2CCCC2)ccc1C#N ZINC000442808506 1043428705 /nfs/dbraw/zinc/42/87/05/1043428705.db2.gz HLDCIDMFSFAXNG-UHFFFAOYSA-N 0 3 310.397 4.105 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860598 1043436669 /nfs/dbraw/zinc/43/66/69/1043436669.db2.gz LHPJJKVTNPIJML-IMFGXOCKSA-N 0 3 306.409 4.089 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594988 1043441939 /nfs/dbraw/zinc/44/19/39/1043441939.db2.gz YUJHVKGVTYGVCX-JXFKEZNVSA-N 0 3 323.436 4.257 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000442892147 1043451757 /nfs/dbraw/zinc/45/17/57/1043451757.db2.gz DTILXDGMYAONJB-MRXNPFEDSA-N 0 3 313.404 4.280 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000442889685 1043451892 /nfs/dbraw/zinc/45/18/92/1043451892.db2.gz FVFWWEKTVWSBHW-HRAATJIYSA-N 0 3 318.420 4.141 20 30 DIEDHN CCCc1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000558244538 1043471085 /nfs/dbraw/zinc/47/10/85/1043471085.db2.gz CBBFJFOSVXWQFM-HXUWFJFHSA-N 0 3 307.441 4.393 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC(C)(C)CCC#N ZINC000348878001 1043478514 /nfs/dbraw/zinc/47/85/14/1043478514.db2.gz QCIBVIMZXZKIOW-UHFFFAOYSA-N 0 3 302.466 4.172 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124069926 1043495292 /nfs/dbraw/zinc/49/52/92/1043495292.db2.gz GDIUOKPNIUAUHA-MGPUTAFESA-N 0 3 324.399 4.454 20 30 DIEDHN C#C[C@H]1CC[C@H](NCc2csc(-c3ccsc3)n2)CC1 ZINC000873198608 1043527154 /nfs/dbraw/zinc/52/71/54/1043527154.db2.gz ROMNGDNZJIVVTD-MQMHXKEQSA-N 0 3 302.468 4.153 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc3ncccc3c2)C2CC2)cc1 ZINC000349909954 1043529927 /nfs/dbraw/zinc/52/99/27/1043529927.db2.gz DWLIPMIPNHKZPW-UHFFFAOYSA-N 0 3 313.404 4.271 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000777587541 1043534887 /nfs/dbraw/zinc/53/48/87/1043534887.db2.gz UOVKAHOTSSAZLK-HRAATJIYSA-N 0 3 320.436 4.065 20 30 DIEDHN CCc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000350662312 1043549801 /nfs/dbraw/zinc/54/98/01/1043549801.db2.gz UDXJCIKDUNFGHD-UHFFFAOYSA-N 0 3 313.470 4.235 20 30 DIEDHN CCCCCCC[C@H](C)C(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001274931631 1043561465 /nfs/dbraw/zinc/56/14/65/1043561465.db2.gz SCFMUWKNISXQLN-KRWDZBQOSA-N 0 3 320.521 4.070 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000926439750 1043578075 /nfs/dbraw/zinc/57/80/75/1043578075.db2.gz YSFVTMWKXDDRKS-FFZOFVMBSA-N 0 3 322.452 4.379 20 30 DIEDHN CC1CCC(OC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000353520967 1043613099 /nfs/dbraw/zinc/61/30/99/1043613099.db2.gz QKBIVNTYGCGDLG-UHFFFAOYSA-N 0 3 312.457 4.118 20 30 DIEDHN CC(C)(C)n1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353915956 1043656724 /nfs/dbraw/zinc/65/67/24/1043656724.db2.gz OXPLMJKUCIRIKO-GOSISDBHSA-N 0 3 310.445 4.163 20 30 DIEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353910874 1043656858 /nfs/dbraw/zinc/65/68/58/1043656858.db2.gz ALCQQMUEQPEVIG-LJQANCHMSA-N 0 3 323.396 4.428 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccccc1-n1cccn1 ZINC001137100929 1043657917 /nfs/dbraw/zinc/65/79/17/1043657917.db2.gz ULHTWBHALRAQJP-UHFFFAOYSA-N 0 3 303.409 4.061 20 30 DIEDHN N#CCCC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353918458 1043659442 /nfs/dbraw/zinc/65/94/42/1043659442.db2.gz YFQBJVDLRLTPOT-SFHVURJKSA-N 0 3 309.369 4.120 20 30 DIEDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1C#N ZINC000926966226 1043664723 /nfs/dbraw/zinc/66/47/23/1043664723.db2.gz IMHORXPIBJLSPA-WBMJQRKESA-N 0 3 310.372 4.050 20 30 DIEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(Br)cc1 ZINC000051814323 1043669448 /nfs/dbraw/zinc/66/94/48/1043669448.db2.gz XLFIMIAKEMMBSS-CQSZACIVSA-N 0 3 314.226 4.151 20 30 DIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000876600235 1043701359 /nfs/dbraw/zinc/70/13/59/1043701359.db2.gz DARIEIVSFSPJSL-HNNXBMFYSA-N 0 3 324.877 4.130 20 30 DIEDHN N#CC(C(=O)c1cscc1-c1ccccc1)c1ccccn1 ZINC000355101407 1043743269 /nfs/dbraw/zinc/74/32/69/1043743269.db2.gz QLQDRMTTYNYEBI-AWEZNQCLSA-N 0 3 304.374 4.300 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2cc3cc(Cl)sc3[nH]2)n1 ZINC000355118791 1043745870 /nfs/dbraw/zinc/74/58/70/1043745870.db2.gz BYGWJFAEHDEJGJ-QMMMGPOBSA-N 0 3 321.814 4.138 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769591 1043797621 /nfs/dbraw/zinc/79/76/21/1043797621.db2.gz LORNVNJBCZNTAO-HNNXBMFYSA-N 0 3 319.408 4.091 20 30 DIEDHN N#CC1(CCCCN(Cc2ccco2)C[C@@H]2CCCO2)CCC1 ZINC000929338819 1043811471 /nfs/dbraw/zinc/81/14/71/1043811471.db2.gz NQHBOLYHQYYTAF-SFHVURJKSA-N 0 3 316.445 4.125 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000035253676 1043820138 /nfs/dbraw/zinc/82/01/38/1043820138.db2.gz YCXUDFPHKSGIRD-NSHDSACASA-N 0 3 306.818 4.155 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929757575 1043838567 /nfs/dbraw/zinc/83/85/67/1043838567.db2.gz TVMNJVBKGILUCD-ZYKFHVCXSA-N 0 3 307.441 4.088 20 30 DIEDHN CC(C)(C)C[C@@H](NCc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000930204186 1043892582 /nfs/dbraw/zinc/89/25/82/1043892582.db2.gz IVGUJIFPMQCHRR-GOSISDBHSA-N 0 3 311.404 4.359 20 30 DIEDHN N#Cc1cncc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000930206770 1043893222 /nfs/dbraw/zinc/89/32/22/1043893222.db2.gz UPWKKKNCNWPIAE-IBGZPJMESA-N 0 3 309.388 4.113 20 30 DIEDHN CC(C)(C)c1ccc(C(C)(C)NCc2cncc(C#N)c2)cc1 ZINC000930216407 1043897321 /nfs/dbraw/zinc/89/73/21/1043897321.db2.gz HDZDOGZJLYOOMT-UHFFFAOYSA-N 0 3 307.441 4.276 20 30 DIEDHN C[C@@H]1C[C@H]1[C@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238399 1043904074 /nfs/dbraw/zinc/90/40/74/1043904074.db2.gz NZPXFDJGCPODDW-NXOUGTEYSA-N 0 3 311.816 4.094 20 30 DIEDHN C=C(C)CN(CCCCC1(C#N)CCC1)Cc1ccc(CO)o1 ZINC000930455500 1043928714 /nfs/dbraw/zinc/92/87/14/1043928714.db2.gz PHUQZGZGNHPALY-UHFFFAOYSA-N 0 3 316.445 4.014 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccccn1)C1CCC1 ZINC000931171432 1043998569 /nfs/dbraw/zinc/99/85/69/1043998569.db2.gz BFLLIOSHUOKMPP-FQEVSTJZSA-N 0 3 305.425 4.201 20 30 DIEDHN C=CCCC[C@H](NCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000880388187 1044037490 /nfs/dbraw/zinc/03/74/90/1044037490.db2.gz JHDOVGKDONGWDJ-FQEVSTJZSA-N 0 3 322.452 4.233 20 30 DIEDHN CCc1cnccc1[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000358508780 1044076411 /nfs/dbraw/zinc/07/64/11/1044076411.db2.gz MAZVHFHLOGVRIQ-INIZCTEOSA-N 0 3 323.440 4.177 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC000932203945 1044108801 /nfs/dbraw/zinc/10/88/01/1044108801.db2.gz NFGCAFFWROYJOY-ZBFHGGJFSA-N 0 3 311.454 4.030 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1ccccn1)C1CC1 ZINC000932377303 1044122774 /nfs/dbraw/zinc/12/27/74/1044122774.db2.gz NPDNAMPPOKTMGV-IBGZPJMESA-N 0 3 305.425 4.124 20 30 DIEDHN Cc1cc(CNCc2ccccc2N2CCCCC2)ccc1C#N ZINC000444005498 1044150237 /nfs/dbraw/zinc/15/02/37/1044150237.db2.gz WWXQWACBADWIMX-UHFFFAOYSA-N 0 3 319.452 4.147 20 30 DIEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CCC1 ZINC000933304843 1044192780 /nfs/dbraw/zinc/19/27/80/1044192780.db2.gz UCIFBHDYHOFRGE-HZPDHXFCSA-N 0 3 312.457 4.063 20 30 DIEDHN Cn1cc(CN[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1C#N ZINC000359745794 1044196714 /nfs/dbraw/zinc/19/67/14/1044196714.db2.gz LXPQGJCPFKVDGN-GOSISDBHSA-N 0 3 313.420 4.303 20 30 DIEDHN N#CCCC[C@@H](NCc1cccc(Cl)c1N)c1ccccc1 ZINC000883130375 1044223702 /nfs/dbraw/zinc/22/37/02/1044223702.db2.gz CBKKKCMYVMUZMQ-QGZVFWFLSA-N 0 3 313.832 4.447 20 30 DIEDHN C=CCCC[C@H](NCc1ccc(NC(C)=O)nc1)c1ccccc1 ZINC000883219640 1044237085 /nfs/dbraw/zinc/23/70/85/1044237085.db2.gz WUFRAKUWOLCHBH-IBGZPJMESA-N 0 3 323.440 4.227 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc(C2CC2)s1 ZINC000883229720 1044238783 /nfs/dbraw/zinc/23/87/83/1044238783.db2.gz PRPPTDRRTARVFC-INIZCTEOSA-N 0 3 313.470 4.083 20 30 DIEDHN COc1ccc([C@H]2CCCN2CCCCC2(C#N)CCC2)nc1 ZINC000934339991 1044240390 /nfs/dbraw/zinc/24/03/90/1044240390.db2.gz KPXRKJMVENZLHX-GOSISDBHSA-N 0 3 313.445 4.091 20 30 DIEDHN C=CCCCN(CC)Cc1coc(-c2ccccc2OC)n1 ZINC000934647385 1044267155 /nfs/dbraw/zinc/26/71/55/1044267155.db2.gz NNIINHRDUSWRAO-UHFFFAOYSA-N 0 3 300.402 4.138 20 30 DIEDHN C=CCCC[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327368 1044273130 /nfs/dbraw/zinc/27/31/30/1044273130.db2.gz XCFKHSCDURSKSX-RBUKOAKNSA-N 0 3 309.457 4.485 20 30 DIEDHN COc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1F ZINC000360650171 1044294919 /nfs/dbraw/zinc/29/49/19/1044294919.db2.gz XMJYRVGQIQQWIB-LJQANCHMSA-N 0 3 324.399 4.263 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000360655205 1044297071 /nfs/dbraw/zinc/29/70/71/1044297071.db2.gz CCFDKHXQNREWSB-IBGZPJMESA-N 0 3 321.380 4.024 20 30 DIEDHN COc1cc(C)c(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000186193891 1044303844 /nfs/dbraw/zinc/30/38/44/1044303844.db2.gz HUOJOFWKJBNDEF-HNNXBMFYSA-N 0 3 324.424 4.077 20 30 DIEDHN CCc1nc(C(C)C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000293790331 1044328858 /nfs/dbraw/zinc/32/88/58/1044328858.db2.gz MMCSPIQXUYWVTL-HNNXBMFYSA-N 0 3 307.441 4.490 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317514 1044358181 /nfs/dbraw/zinc/35/81/81/1044358181.db2.gz ZZYFNYFFLJKTMB-MAUKXSAKSA-N 0 3 309.400 4.113 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2cc(C)c(Cl)cc2C)n1 ZINC000361649000 1044427013 /nfs/dbraw/zinc/42/70/13/1044427013.db2.gz WEVJJHNYMZOXMM-LBPRGKRZSA-N 0 3 304.802 4.212 20 30 DIEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cc(C#N)ccc1F ZINC000609916454 1044478289 /nfs/dbraw/zinc/47/82/89/1044478289.db2.gz PWRUMFLNMVLPMM-BBRMVZONSA-N 0 3 312.363 4.214 20 30 DIEDHN Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c(C)c1 ZINC000041542362 1044500328 /nfs/dbraw/zinc/50/03/28/1044500328.db2.gz QHJJHUIWEUUBCJ-INIZCTEOSA-N 0 3 318.376 4.254 20 30 DIEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000041548241 1044503379 /nfs/dbraw/zinc/50/33/79/1044503379.db2.gz SDTLSVPVLUTDKK-DZGCQCFKSA-N 0 3 304.349 4.198 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(F)c(Cl)c1)CC2 ZINC000566789818 1044516464 /nfs/dbraw/zinc/51/64/64/1044516464.db2.gz KPTSSCSHVOADGH-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN C=CCC[C@H](N[C@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553121 1044658468 /nfs/dbraw/zinc/65/84/68/1044658468.db2.gz DSSNISPHAKXNKQ-BEFAXECRSA-N 0 3 324.424 4.226 20 30 DIEDHN CC[C@H](C)[C@@H](C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717313 1044691166 /nfs/dbraw/zinc/69/11/66/1044691166.db2.gz ZMXUGMOQZABCNH-UONOGXRCSA-N 0 3 324.428 4.007 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000569884135 1044719665 /nfs/dbraw/zinc/71/96/65/1044719665.db2.gz NAFCRVOYMLWIAJ-IBGZPJMESA-N 0 3 312.388 4.289 20 30 DIEDHN COc1ccc2c(c1)CN(CCCCC#N)[C@H](c1ccccc1)C2 ZINC000121960895 1044770215 /nfs/dbraw/zinc/77/02/15/1044770215.db2.gz FMFWGHLJKRLARR-NRFANRHFSA-N 0 3 320.436 4.488 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C#N)cs1 ZINC000570606434 1044770417 /nfs/dbraw/zinc/77/04/17/1044770417.db2.gz PRZVZTMNRBCPRZ-QGZVFWFLSA-N 0 3 300.427 4.211 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000034992590 1044796856 /nfs/dbraw/zinc/79/68/56/1044796856.db2.gz NBXIOOZNEGHAFA-CYBMUJFWSA-N 0 3 300.789 4.093 20 30 DIEDHN C[C@@H](NCc1ccc(-c2ccncc2)cc1)c1ccc(C#N)cc1 ZINC000369754819 1044814170 /nfs/dbraw/zinc/81/41/70/1044814170.db2.gz ZJWPQZLFMCRCDG-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](NCc1cc(C#N)cs1)c1cccc(N2CCCC2)c1 ZINC000088764326 1044816822 /nfs/dbraw/zinc/81/68/22/1044816822.db2.gz DMHPLEFFSJOEMM-AWEZNQCLSA-N 0 3 311.454 4.071 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccsc2)cc1 ZINC000372393184 1044912956 /nfs/dbraw/zinc/91/29/56/1044912956.db2.gz PTIAKGPHGCCRFN-KSSFIOAISA-N 0 3 312.438 4.376 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965908 1044972655 /nfs/dbraw/zinc/97/26/55/1044972655.db2.gz QCQSUUWZVWJGEV-BZNIZROVSA-N 0 3 300.402 4.487 20 30 DIEDHN CC(C)N(C)c1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000574847875 1044976996 /nfs/dbraw/zinc/97/69/96/1044976996.db2.gz LWICMMZJSGYFHI-HXUWFJFHSA-N 0 3 319.452 4.180 20 30 DIEDHN C[C@@H](CCC#N)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000411379617 1045002247 /nfs/dbraw/zinc/00/22/47/1045002247.db2.gz FMBDKXHHIQRCPX-ZDUSSCGKSA-N 0 3 308.347 4.487 20 30 DIEDHN N#CC1(CN[C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000575858256 1045014433 /nfs/dbraw/zinc/01/44/33/1045014433.db2.gz QZMIVWCQJRIWCE-HXUWFJFHSA-N 0 3 304.437 4.124 20 30 DIEDHN COCc1ccc([C@@H]2CCCN2CCC2(C#N)CCCCC2)o1 ZINC000411538297 1045018271 /nfs/dbraw/zinc/01/82/71/1045018271.db2.gz DLSXFMNUYPCDJF-KRWDZBQOSA-N 0 3 316.445 4.427 20 30 DIEDHN CC(C)O[C@H](CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000428452701 1045022005 /nfs/dbraw/zinc/02/20/05/1045022005.db2.gz CVGWERUYRAFAON-HXUWFJFHSA-N 0 3 308.425 4.156 20 30 DIEDHN C=CCCN(CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000525328895 1045038564 /nfs/dbraw/zinc/03/85/64/1045038564.db2.gz SRMZFYWCIHJRKA-UHFFFAOYSA-N 0 3 315.244 4.220 20 30 DIEDHN COc1ccc(CN(C)Cc2ccc(CC#N)cc2)cc1Cl ZINC000412036021 1045050034 /nfs/dbraw/zinc/05/00/34/1045050034.db2.gz GNAJVVTYTYBLBM-UHFFFAOYSA-N 0 3 314.816 4.047 20 30 DIEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000447574841 1045146785 /nfs/dbraw/zinc/14/67/85/1045146785.db2.gz OXOVYHQHQOGJOM-AEFFLSMTSA-N 0 3 322.456 4.168 20 30 DIEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc(C#N)cs1 ZINC000577789150 1045171063 /nfs/dbraw/zinc/17/10/63/1045171063.db2.gz HZKYDQOWUMTIRG-IAGOWNOFSA-N 0 3 311.454 4.173 20 30 DIEDHN CC(C)COc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000577803502 1045173271 /nfs/dbraw/zinc/17/32/71/1045173271.db2.gz WFQGUYANKNQUFB-OAQYLSRUSA-N 0 3 320.436 4.370 20 30 DIEDHN N#CCc1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1 ZINC000601129160 1045189742 /nfs/dbraw/zinc/18/97/42/1045189742.db2.gz BNMJOTSIRLQBIG-UHFFFAOYSA-N 0 3 318.342 4.147 20 30 DIEDHN Cc1scc(CNCc2cccc(OCCCC#N)c2)c1C ZINC000601144602 1045193595 /nfs/dbraw/zinc/19/35/95/1045193595.db2.gz VNVRRFJBTXJYGU-UHFFFAOYSA-N 0 3 314.454 4.337 20 30 DIEDHN Cc1ncc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299156 1045212449 /nfs/dbraw/zinc/21/24/49/1045212449.db2.gz JEMUUMBWBLVTNN-PXAZEXFGSA-N 0 3 311.454 4.442 20 30 DIEDHN C=CCOc1ccc(CN2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000448369938 1045238922 /nfs/dbraw/zinc/23/89/22/1045238922.db2.gz DBQBPPNUOWJEQB-GOEBONIOSA-N 0 3 323.864 4.030 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(OC)cc1OC)c1ccc(C#N)cc1 ZINC000527974590 1045287379 /nfs/dbraw/zinc/28/73/79/1045287379.db2.gz SLVLTYHIYWNNOZ-LIRRHRJNSA-N 0 3 324.424 4.377 20 30 DIEDHN CN(C)[C@H](CNc1cccc(C(F)F)c1C#N)c1ccsc1 ZINC000579293147 1045305999 /nfs/dbraw/zinc/30/59/99/1045305999.db2.gz PZZYGMXVHVRBQX-OAHLLOKOSA-N 0 3 321.396 4.272 20 30 DIEDHN N#Cc1ccc(CNC[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000579290982 1045306047 /nfs/dbraw/zinc/30/60/47/1045306047.db2.gz UYYGUKPFOYMBTQ-ZDUSSCGKSA-N 0 3 324.371 4.131 20 30 DIEDHN CCCCCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000779149364 1045322938 /nfs/dbraw/zinc/32/29/38/1045322938.db2.gz IETHUUDXTZZIDK-SFHVURJKSA-N 0 3 303.425 4.209 20 30 DIEDHN C=C(C)[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780847 1045331113 /nfs/dbraw/zinc/33/11/13/1045331113.db2.gz PEZKHDQCABPELX-QZTJIDSGSA-N 0 3 321.342 4.044 20 30 DIEDHN CC1(C#N)CCC(NCc2csc(-c3ccccc3)n2)CC1 ZINC000449102162 1045346707 /nfs/dbraw/zinc/34/67/07/1045346707.db2.gz XLWDLPGTVYVDPJ-UHFFFAOYSA-N 0 3 311.454 4.372 20 30 DIEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1cc(C#N)cs1 ZINC000449364508 1045382243 /nfs/dbraw/zinc/38/22/43/1045382243.db2.gz RATYFHCEXCHOEE-HOSYDEDBSA-N 0 3 302.365 4.171 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cocc2C)cc1 ZINC000528921599 1045428693 /nfs/dbraw/zinc/42/86/93/1045428693.db2.gz YOKDRSLRYMJELU-LRDDRELGSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cocc2C)cc1 ZINC000528921599 1045428695 /nfs/dbraw/zinc/42/86/95/1045428695.db2.gz YOKDRSLRYMJELU-LRDDRELGSA-N 0 3 324.380 4.063 20 30 DIEDHN C#CC[C@@H]1CCCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC001460289003 1045590268 /nfs/dbraw/zinc/59/02/68/1045590268.db2.gz HLCZXNZNZGZZNZ-UONOGXRCSA-N 0 3 306.247 4.245 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccccc2SC)cc1 ZINC000800286995 1045606682 /nfs/dbraw/zinc/60/66/82/1045606682.db2.gz UMGSDVQNPCPCNO-OAHLLOKOSA-N 0 3 311.450 4.271 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000191683404 1045747644 /nfs/dbraw/zinc/74/76/44/1045747644.db2.gz LDCQFRWAEJCSCY-HNNXBMFYSA-N 0 3 306.409 4.145 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000753590695 1045769454 /nfs/dbraw/zinc/76/94/54/1045769454.db2.gz OTJHALPSTFLWDG-CYBMUJFWSA-N 0 3 320.314 4.160 20 30 DIEDHN CC(C)(NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000192157869 1045788212 /nfs/dbraw/zinc/78/82/12/1045788212.db2.gz FTBGXDQDORFHNA-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](C)c1cc(C)c(OC)cc1C ZINC000753677871 1045789835 /nfs/dbraw/zinc/78/98/35/1045789835.db2.gz ALVYWLQZPAHWKY-KRWDZBQOSA-N 0 3 323.436 4.175 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860058 1045812123 /nfs/dbraw/zinc/81/21/23/1045812123.db2.gz XZNFCHBOVIAUJK-MSOLQXFVSA-N 0 3 300.352 4.254 20 30 DIEDHN C[C@H](C#N)OCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000801921638 1045839692 /nfs/dbraw/zinc/83/96/92/1045839692.db2.gz IEKSFTFRTSOZBQ-RHSMWYFYSA-N 0 3 306.837 4.186 20 30 DIEDHN C[C@@H](C#N)OCCN1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000801921640 1045841253 /nfs/dbraw/zinc/84/12/53/1045841253.db2.gz IEKSFTFRTSOZBQ-YOEHRIQHSA-N 0 3 306.837 4.186 20 30 DIEDHN C=CCc1cc(CN2CC[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC000754726460 1045920738 /nfs/dbraw/zinc/92/07/38/1045920738.db2.gz PFFPUTAMYQPGBA-GOSISDBHSA-N 0 3 309.409 4.076 20 30 DIEDHN Cc1cc(C)c(O)c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000754737769 1045922622 /nfs/dbraw/zinc/92/26/22/1045922622.db2.gz VFDSBOUALWRNGO-UXHICEINSA-N 0 3 320.436 4.281 20 30 DIEDHN Cc1cc(CN2CCC(C)(C#N)CC2)ccc1N1CCCCC1 ZINC000828749434 1045930830 /nfs/dbraw/zinc/93/08/30/1045930830.db2.gz JJKUPTNOSCHEHA-UHFFFAOYSA-N 0 3 311.473 4.111 20 30 DIEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)c(C)n1-c1ccccc1 ZINC001137858030 1045987002 /nfs/dbraw/zinc/98/70/02/1045987002.db2.gz UFCCWPNBPMUNKW-GOSISDBHSA-N 0 3 307.441 4.220 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c(F)cccc31)CC2 ZINC000453223801 1045993198 /nfs/dbraw/zinc/99/31/98/1045993198.db2.gz BDOWGLSJBMDOCJ-UXHICEINSA-N 0 3 306.384 4.352 20 30 DIEDHN COc1ccc(CNC2(c3cccc(C)c3)CCC2)cc1C#N ZINC000829873589 1046023059 /nfs/dbraw/zinc/02/30/59/1046023059.db2.gz JOPHJBVWUQCQED-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN C[C@H](NCCSc1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902728633 1046051307 /nfs/dbraw/zinc/05/13/07/1046051307.db2.gz YEZLKDIKZBSBGU-LBPRGKRZSA-N 0 3 317.845 4.050 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735637 1046053846 /nfs/dbraw/zinc/05/38/46/1046053846.db2.gz GZOLQGWGVNTLEH-SUMWQHHRSA-N 0 3 308.381 4.089 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000193696982 1046060426 /nfs/dbraw/zinc/06/04/26/1046060426.db2.gz JOLGGRRGXNSADV-GFCCVEGCSA-N 0 3 318.779 4.232 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765973 1046064968 /nfs/dbraw/zinc/06/49/68/1046064968.db2.gz DHDJLYRIMVLXIM-FZKQIMNGSA-N 0 3 309.369 4.268 20 30 DIEDHN CCOc1cc(CN[C@H](CC)c2cccc(C#N)c2)ccc1OC ZINC000902803107 1046073497 /nfs/dbraw/zinc/07/34/97/1046073497.db2.gz FPVKWQXQGNCQGC-GOSISDBHSA-N 0 3 324.424 4.206 20 30 DIEDHN CC[C@H](NCc1ccc(F)c(COC)c1)c1cccc(C#N)c1 ZINC000902808717 1046075353 /nfs/dbraw/zinc/07/53/53/1046075353.db2.gz LTTFYHSEKNEUEH-IBGZPJMESA-N 0 3 312.388 4.085 20 30 DIEDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(C#N)c1 ZINC000756624200 1046112509 /nfs/dbraw/zinc/11/25/09/1046112509.db2.gz DOVIQGYVGXTRPY-HSMVNMDESA-N 0 3 310.372 4.302 20 30 DIEDHN Cc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C2CCC2)o1 ZINC000756688265 1046122558 /nfs/dbraw/zinc/12/25/58/1046122558.db2.gz ZMRFHYDRHVGCQY-IBGZPJMESA-N 0 3 310.397 4.121 20 30 DIEDHN C=CCCSCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047853 1046147019 /nfs/dbraw/zinc/14/70/19/1046147019.db2.gz FMFODDYEYOSVOV-LLVKDONJSA-N 0 3 304.381 4.060 20 30 DIEDHN C#CC[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1ccccc1 ZINC000756997220 1046157238 /nfs/dbraw/zinc/15/72/38/1046157238.db2.gz WJWTYPRKDMHUQE-IBGZPJMESA-N 0 3 305.421 4.254 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097062 1046163174 /nfs/dbraw/zinc/16/31/74/1046163174.db2.gz BUQJMTMBUWGFTI-QRWLVFNGSA-N 0 3 324.424 4.113 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001138559063 1046224940 /nfs/dbraw/zinc/22/49/40/1046224940.db2.gz NOUSDJDKLHNOSF-HXUWFJFHSA-N 0 3 309.384 4.175 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCSc3ccccc3C2)c1[O-] ZINC001138630000 1046250102 /nfs/dbraw/zinc/25/01/02/1046250102.db2.gz MZXOFAAUZFTTQA-UHFFFAOYSA-N 0 3 311.450 4.229 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCSc3ccccc3C2)c1[O-] ZINC001138630000 1046250109 /nfs/dbraw/zinc/25/01/09/1046250109.db2.gz MZXOFAAUZFTTQA-UHFFFAOYSA-N 0 3 311.450 4.229 20 30 DIEDHN C=C(C)COc1ccccc1C[N@H+](CC)Cc1ccccc1[O-] ZINC001138665669 1046259639 /nfs/dbraw/zinc/25/96/39/1046259639.db2.gz SFJRUPXXHGLOOW-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN C=C(C)COc1ccccc1C[N@@H+](CC)Cc1ccccc1[O-] ZINC001138665669 1046259640 /nfs/dbraw/zinc/25/96/40/1046259640.db2.gz SFJRUPXXHGLOOW-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC(OCCC)CC1 ZINC001138663977 1046261151 /nfs/dbraw/zinc/26/11/51/1046261151.db2.gz HFCGQBMCNJEQDS-UHFFFAOYSA-N 0 3 303.446 4.033 20 30 DIEDHN Cn1c2ccccc2c2cc(CN3CCC(C#N)CC3)ccc21 ZINC001138914278 1046326073 /nfs/dbraw/zinc/32/60/73/1046326073.db2.gz CWZXVMNDKRTKHN-UHFFFAOYSA-N 0 3 303.409 4.067 20 30 DIEDHN N#CC(C(=O)C1CCC(F)(F)CC1)c1ccc2ccccc2n1 ZINC000759188680 1046330643 /nfs/dbraw/zinc/33/06/43/1046330643.db2.gz YOILGOYVZRZDQG-AWEZNQCLSA-N 0 3 314.335 4.237 20 30 DIEDHN CC(C)COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC001138971028 1046345883 /nfs/dbraw/zinc/34/58/83/1046345883.db2.gz DPFQTSUYOSZCIB-UHFFFAOYSA-N 0 3 308.425 4.225 20 30 DIEDHN C=CCOc1ccccc1CN1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001139030066 1046363617 /nfs/dbraw/zinc/36/36/17/1046363617.db2.gz FPJPJDOZQJLSTM-HDICACEKSA-N 0 3 305.421 4.338 20 30 DIEDHN C#CCN(Cc1ccc2cccnc2c1)[C@@H]1CCc2ccccc21 ZINC001139168664 1046399809 /nfs/dbraw/zinc/39/98/09/1046399809.db2.gz UJISAPPGIVJOIW-JOCHJYFZSA-N 0 3 312.416 4.358 20 30 DIEDHN C=CCN(C)Cc1ccc(Br)cc1N1CCCCC1 ZINC001139254437 1046418793 /nfs/dbraw/zinc/41/87/93/1046418793.db2.gz WHBOUMGXMCFJCA-UHFFFAOYSA-N 0 3 323.278 4.057 20 30 DIEDHN CCCCCCCCN(C)Cc1c(N)c(OC)ccc1OC ZINC001139272766 1046422621 /nfs/dbraw/zinc/42/26/21/1046422621.db2.gz GXUPOHKVMJIOOF-UHFFFAOYSA-N 0 3 308.466 4.078 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2cc(O)ccc2c1 ZINC001139337971 1046431256 /nfs/dbraw/zinc/43/12/56/1046431256.db2.gz LKCGTPJUOZOONT-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000749129399 1046432219 /nfs/dbraw/zinc/43/22/19/1046432219.db2.gz QZLJJALFHHRXQC-QAPCUYQASA-N 0 3 324.424 4.227 20 30 DIEDHN C[C@@H](C=Nn1cnnc1-c1ccccc1)CCc1ccccc1 ZINC000749158791 1046435142 /nfs/dbraw/zinc/43/51/42/1046435142.db2.gz RVUDIRRCNFOCPL-MRXNPFEDSA-N 0 3 304.397 4.048 20 30 DIEDHN C[C@H](NCCSCc1ccccc1)c1ccc(C#N)cc1F ZINC000781420392 1046443336 /nfs/dbraw/zinc/44/33/36/1046443336.db2.gz JWFOVIIGMZCYEU-AWEZNQCLSA-N 0 3 314.429 4.281 20 30 DIEDHN CCC1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139426975 1046448386 /nfs/dbraw/zinc/44/83/86/1046448386.db2.gz PMICMVDAMRJANA-UHFFFAOYSA-N 0 3 321.424 4.368 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914285 1046486463 /nfs/dbraw/zinc/48/64/63/1046486463.db2.gz WMFACJDYJWJVLD-QRWLVFNGSA-N 0 3 306.409 4.060 20 30 DIEDHN N#CCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000781927280 1046487573 /nfs/dbraw/zinc/48/75/73/1046487573.db2.gz MEXHJFMYTYJRLB-UHFFFAOYSA-N 0 3 306.409 4.185 20 30 DIEDHN CC(C)[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000781981309 1046490631 /nfs/dbraw/zinc/49/06/31/1046490631.db2.gz KCNRCJXZVSVPBV-AWEZNQCLSA-N 0 3 306.837 4.110 20 30 DIEDHN N#CCc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC001202964847 1046511401 /nfs/dbraw/zinc/51/14/01/1046511401.db2.gz UHPDUECSYLHHOE-UHFFFAOYSA-N 0 3 322.305 4.200 20 30 DIEDHN CCCCCCCCCCN(C)Cc1cnn(CCOC)c1 ZINC001139783896 1046516647 /nfs/dbraw/zinc/51/66/47/1046516647.db2.gz UTLVXMBWIZRPNN-UHFFFAOYSA-N 0 3 309.498 4.102 20 30 DIEDHN COc1cccc([C@H]2CCCN(Cc3cc(F)cc(C#N)c3)C2)c1 ZINC001139878455 1046540795 /nfs/dbraw/zinc/54/07/95/1046540795.db2.gz MBIXKVUPLLLOIA-SFHVURJKSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1cc(F)cc(CN(Cc2ccccn2)C2CCCCC2)c1 ZINC001139876403 1046540906 /nfs/dbraw/zinc/54/09/06/1046540906.db2.gz WDERLBNNEMJSAT-UHFFFAOYSA-N 0 3 323.415 4.427 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000642095247 1046562256 /nfs/dbraw/zinc/56/22/56/1046562256.db2.gz MXKYZLSPOPYAEU-AWEZNQCLSA-N 0 3 320.502 4.270 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCc3c4ccccc4sc32)nc1 ZINC000783294378 1046574539 /nfs/dbraw/zinc/57/45/39/1046574539.db2.gz OUKOIDRRXJMOOH-KRWDZBQOSA-N 0 3 319.433 4.335 20 30 DIEDHN CC1(C)CN(Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140116073 1046595507 /nfs/dbraw/zinc/59/55/07/1046595507.db2.gz QGUOSNDHZAHKPD-UHFFFAOYSA-N 0 3 315.420 4.333 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2cnccc2C)cc1Cl ZINC000678362848 1046627677 /nfs/dbraw/zinc/62/76/77/1046627677.db2.gz QZGDTISLXUOZMN-AWEZNQCLSA-N 0 3 316.832 4.459 20 30 DIEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000532968125 1046633029 /nfs/dbraw/zinc/63/30/29/1046633029.db2.gz UISLNFRJRMNEFN-MRXNPFEDSA-N 0 3 302.462 4.254 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001140296539 1046643520 /nfs/dbraw/zinc/64/35/20/1046643520.db2.gz SHUABFSAQXTSML-CYBMUJFWSA-N 0 3 316.857 4.309 20 30 DIEDHN N#CCc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000784156782 1046667352 /nfs/dbraw/zinc/66/73/52/1046667352.db2.gz FTSDNXGCJDANLG-UHFFFAOYSA-N 0 3 320.436 4.403 20 30 DIEDHN N#CCc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000784156782 1046667359 /nfs/dbraw/zinc/66/73/59/1046667359.db2.gz FTSDNXGCJDANLG-UHFFFAOYSA-N 0 3 320.436 4.403 20 30 DIEDHN C=CCCC[C@H](C)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000678715866 1046689247 /nfs/dbraw/zinc/68/92/47/1046689247.db2.gz GSYCQHNAIMEVBZ-DCAQKATOSA-N 0 3 303.290 4.404 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@H]2NCc2ccc(C#N)cc2F)cc1 ZINC000533309299 1046690071 /nfs/dbraw/zinc/69/00/71/1046690071.db2.gz DVGILCOYIDNYGC-UXHICEINSA-N 0 3 324.399 4.016 20 30 DIEDHN CC(C)(C)[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000784507893 1046693752 /nfs/dbraw/zinc/69/37/52/1046693752.db2.gz BDIFSPAESRJOTK-AWEZNQCLSA-N 0 3 306.837 4.110 20 30 DIEDHN CC[C@@H](C)CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000784830599 1046710927 /nfs/dbraw/zinc/71/09/27/1046710927.db2.gz AIKWCIOOKNJRPF-PBHICJAKSA-N 0 3 314.429 4.249 20 30 DIEDHN C#Cc1cccc(CN[C@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC000834902043 1046714252 /nfs/dbraw/zinc/71/42/52/1046714252.db2.gz CZNWCIZESYBPHG-MRXNPFEDSA-N 0 3 323.436 4.316 20 30 DIEDHN C#Cc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000834902356 1046714541 /nfs/dbraw/zinc/71/45/41/1046714541.db2.gz HCYWXPCJTMDUCY-IBGZPJMESA-N 0 3 303.405 4.204 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2ccc(C#N)c(F)c2)cc1C ZINC000834904072 1046715526 /nfs/dbraw/zinc/71/55/26/1046715526.db2.gz VHMBJPXXHCNSBE-AWEZNQCLSA-N 0 3 312.388 4.174 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1C ZINC000834904085 1046716434 /nfs/dbraw/zinc/71/64/34/1046716434.db2.gz VHMBJPXXHCNSBE-CQSZACIVSA-N 0 3 312.388 4.174 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2n1 ZINC000796750217 1046726303 /nfs/dbraw/zinc/72/63/03/1046726303.db2.gz USHSFZAZJZHWOM-RCCFBDPRSA-N 0 3 312.372 4.215 20 30 DIEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000796800403 1046734374 /nfs/dbraw/zinc/73/43/74/1046734374.db2.gz UDSJVHKVZXUMLR-WMLDXEAASA-N 0 3 322.408 4.313 20 30 DIEDHN CCN(CC)Cc1ccccc1Nc1ccc(C(C)=O)cc1C#N ZINC001211996444 1046763706 /nfs/dbraw/zinc/76/37/06/1046763706.db2.gz ZKFWSSUTRCCEKP-UHFFFAOYSA-N 0 3 321.424 4.346 20 30 DIEDHN N#Cc1ccc(Cl)c(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC001140600956 1046805001 /nfs/dbraw/zinc/80/50/01/1046805001.db2.gz BXKNYQCUDBEPLS-QGZVFWFLSA-N 0 3 310.828 4.276 20 30 DIEDHN C=CCOCCN[C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000679576613 1046872707 /nfs/dbraw/zinc/87/27/07/1046872707.db2.gz PZBFOGNUKLHDOS-ZDUSSCGKSA-N 0 3 321.367 4.294 20 30 DIEDHN C=CCOCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000679576527 1046874534 /nfs/dbraw/zinc/87/45/34/1046874534.db2.gz OWUXPEPTFYYEND-QGZVFWFLSA-N 0 3 301.430 4.005 20 30 DIEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000679674780 1046890763 /nfs/dbraw/zinc/89/07/63/1046890763.db2.gz SCWZOTZZXKIQHX-MRXNPFEDSA-N 0 3 312.240 4.020 20 30 DIEDHN N#Cc1cccc(CN2CC[C@H](Cc3ccccc3)C2)c1Cl ZINC001140810977 1046911030 /nfs/dbraw/zinc/91/10/30/1046911030.db2.gz JFYZQFQHVXWKGK-MRXNPFEDSA-N 0 3 310.828 4.276 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001137408538 1046974958 /nfs/dbraw/zinc/97/49/58/1046974958.db2.gz MITLKTSPHQYPHJ-PKOBYXMFSA-N 0 3 316.489 4.126 20 30 DIEDHN N#CC(C(=O)c1ccc2c(c1)CCC=C2)c1nc(C2CC2)cs1 ZINC000647379865 1046994224 /nfs/dbraw/zinc/99/42/24/1046994224.db2.gz SMDQOZIFZQUWJU-MRXNPFEDSA-N 0 3 320.417 4.470 20 30 DIEDHN COc1ccccc1CON=Cc1ccc(N2CCCCC2)cc1 ZINC000799117057 1047000282 /nfs/dbraw/zinc/00/02/82/1047000282.db2.gz HQGGLARWGHJWAP-UHFFFAOYSA-N 0 3 324.424 4.236 20 30 DIEDHN C=CCCCCN(C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141087556 1047005101 /nfs/dbraw/zinc/00/51/01/1047005101.db2.gz FGPDAFQXYDFLDB-UHFFFAOYSA-N 0 3 319.449 4.217 20 30 DIEDHN CC(C)(C)SCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000097261618 1047029182 /nfs/dbraw/zinc/02/91/82/1047029182.db2.gz MDOKNJVWMDZGTA-JTQLQIEISA-N 0 3 304.440 4.004 20 30 DIEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000536668685 1047050854 /nfs/dbraw/zinc/05/08/54/1047050854.db2.gz NMGZJSQNNOXMLS-HXUWFJFHSA-N 0 3 308.425 4.292 20 30 DIEDHN COc1cc(CN2CCC(c3cccc(F)c3)CC2)ccc1C#N ZINC000799732826 1047059888 /nfs/dbraw/zinc/05/98/88/1047059888.db2.gz PDTXCKKEHXZOBX-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000536673024 1047063865 /nfs/dbraw/zinc/06/38/65/1047063865.db2.gz JEUXZUPBNVQRPI-CYBMUJFWSA-N 0 3 302.830 4.263 20 30 DIEDHN C=CCN(Cc1cc(OC)c(OC)cc1F)C1CCCCC1 ZINC001141287547 1047077566 /nfs/dbraw/zinc/07/75/66/1047077566.db2.gz HLLFLZLWRSHMKR-UHFFFAOYSA-N 0 3 307.409 4.164 20 30 DIEDHN C#CCCN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000760292095 1047118266 /nfs/dbraw/zinc/11/82/66/1047118266.db2.gz QJJWPJHAFQKJSN-KRWDZBQOSA-N 0 3 314.226 4.151 20 30 DIEDHN CCOc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC001116321209 1047129369 /nfs/dbraw/zinc/12/93/69/1047129369.db2.gz BVQQAOYBXDOTEO-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC001116479184 1047147059 /nfs/dbraw/zinc/14/70/59/1047147059.db2.gz MXAVWMCUICNLQT-JTQLQIEISA-N 0 3 300.324 4.018 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC001116554016 1047157219 /nfs/dbraw/zinc/15/72/19/1047157219.db2.gz CHASQOUBGGGEHZ-NRFANRHFSA-N 0 3 323.436 4.043 20 30 DIEDHN C[C@]12CCN(CCC3(C#N)CCCCC3)C[C@H]1C2(Cl)Cl ZINC000839595291 1047249803 /nfs/dbraw/zinc/24/98/03/1047249803.db2.gz FPLISEFWGHLMPI-KGLIPLIRSA-N 0 3 315.288 4.366 20 30 DIEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000683007153 1047257216 /nfs/dbraw/zinc/25/72/16/1047257216.db2.gz YLSIKFKSQGRRFU-FCHUYYIVSA-N 0 3 319.448 4.138 20 30 DIEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC001118558217 1047302125 /nfs/dbraw/zinc/30/21/25/1047302125.db2.gz NHNZAPWOYSHLRH-CYBMUJFWSA-N 0 3 313.470 4.206 20 30 DIEDHN C=CCC(C)(C)CN[C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652201909 1047345634 /nfs/dbraw/zinc/34/56/34/1047345634.db2.gz STYRHUFDYOYSTF-IBGZPJMESA-N 0 3 310.441 4.372 20 30 DIEDHN Cc1cc2cc(CNCc3ccc(O[C@@H](C)C#N)cc3)ccc2[nH]1 ZINC000796527560 1047377774 /nfs/dbraw/zinc/37/77/74/1047377774.db2.gz HQPAFRRBZFAOIS-HNNXBMFYSA-N 0 3 319.408 4.057 20 30 DIEDHN C=CCCn1cc(CN(C)[C@@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653762086 1047419569 /nfs/dbraw/zinc/41/95/69/1047419569.db2.gz SSHGTUWFTFLLKF-VQTJNVASSA-N 0 3 324.472 4.012 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000841744783 1047448534 /nfs/dbraw/zinc/44/85/34/1047448534.db2.gz LOMOUGTZVXLUGE-IBGZPJMESA-N 0 3 321.380 4.024 20 30 DIEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc(Cl)n1 ZINC000841893363 1047460943 /nfs/dbraw/zinc/46/09/43/1047460943.db2.gz DLRFDNVTLDCEBK-QGZVFWFLSA-N 0 3 311.816 4.082 20 30 DIEDHN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000926899102 1047571691 /nfs/dbraw/zinc/57/16/91/1047571691.db2.gz USLVEXDBQIFTKG-CABCVRRESA-N 0 3 312.388 4.448 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCSc3ccccc32)C1 ZINC000237815359 1047595479 /nfs/dbraw/zinc/59/54/79/1047595479.db2.gz FSUOXRLECYYJQA-KGXSXCIVSA-N 0 3 320.461 4.437 20 30 DIEDHN COc1ccc(C2(NCc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000538159141 1047660376 /nfs/dbraw/zinc/66/03/76/1047660376.db2.gz LWCZUSMTWXRBPC-UHFFFAOYSA-N 0 3 320.436 4.275 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000538257718 1047665238 /nfs/dbraw/zinc/66/52/38/1047665238.db2.gz IFIDAKPULBGVHL-IBGZPJMESA-N 0 3 308.425 4.231 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001182844662 1047847079 /nfs/dbraw/zinc/84/70/79/1047847079.db2.gz NUQQNVODBKZCTH-SWLSCSKDSA-N 0 3 309.837 4.279 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1F ZINC001183155336 1047894709 /nfs/dbraw/zinc/89/47/09/1047894709.db2.gz FDSJBZQQKVMIBS-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1cccc(Cl)c1C ZINC001198406359 1047953012 /nfs/dbraw/zinc/95/30/12/1047953012.db2.gz JEBKTFKGSIQUSG-AWEZNQCLSA-N 0 3 306.837 4.018 20 30 DIEDHN CC(C)(C#N)CCN(CCc1ccccc1)Cc1cccnc1 ZINC000553905528 1047964055 /nfs/dbraw/zinc/96/40/55/1047964055.db2.gz KJSIDJMZGCQWBY-UHFFFAOYSA-N 0 3 307.441 4.066 20 30 DIEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cnn(CC2CCC2)c1 ZINC001198551555 1047978080 /nfs/dbraw/zinc/97/80/80/1047978080.db2.gz FHWXFXFAFIHLCQ-INIZCTEOSA-N 0 3 314.477 4.198 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC001174863682 1048007471 /nfs/dbraw/zinc/00/74/71/1048007471.db2.gz RYFVPFYQOVSYMS-UHFFFAOYSA-N 0 3 302.805 4.463 20 30 DIEDHN C=CCCCN1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001198843693 1048014781 /nfs/dbraw/zinc/01/47/81/1048014781.db2.gz AIDIHSDUWMHMCK-UHFFFAOYSA-N 0 3 316.445 4.358 20 30 DIEDHN C[C@H]1CCCCN1Cc1ccc(N[C@H](C#N)c2ccccc2)nc1 ZINC001161718302 1048158902 /nfs/dbraw/zinc/15/89/02/1048158902.db2.gz UIKGCQHZFWNEHX-QFBILLFUSA-N 0 3 320.440 4.133 20 30 DIEDHN N#C[C@H](Nc1ccc(F)c(CN2CCCC2)c1)c1ccccc1 ZINC001161724524 1048162533 /nfs/dbraw/zinc/16/25/33/1048162533.db2.gz ALUNFLULMKPIQB-IBGZPJMESA-N 0 3 309.388 4.098 20 30 DIEDHN N#CC1CCC(CN2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001175140472 1048164101 /nfs/dbraw/zinc/16/41/01/1048164101.db2.gz NVIGNJGDUVOBTK-UHFFFAOYSA-N 0 3 322.374 4.393 20 30 DIEDHN CCCCCCCCCCCCN1CCN(CCC#N)CC1 ZINC001201631673 1048327044 /nfs/dbraw/zinc/32/70/44/1048327044.db2.gz XEUSWCZAZKFYKL-UHFFFAOYSA-N 0 3 307.526 4.439 20 30 DIEDHN CC(C)(C)C(=N)Nc1cc(Br)cc(Cl)c1C#N ZINC001162664277 1048332383 /nfs/dbraw/zinc/33/23/83/1048332383.db2.gz BBRFYWYURPRAPW-UHFFFAOYSA-N 0 3 314.614 4.409 20 30 DIEDHN Cc1cc(C#N)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506193 1048339862 /nfs/dbraw/zinc/33/98/62/1048339862.db2.gz YDPQFRPEPSKEDD-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN C[C@]1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCS1 ZINC000600121499 1048368224 /nfs/dbraw/zinc/36/82/24/1048368224.db2.gz VFHXGRXUCQYJLS-OKZBNKHCSA-N 0 3 300.471 4.044 20 30 DIEDHN CCCCCCCN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001201787792 1048379499 /nfs/dbraw/zinc/37/94/99/1048379499.db2.gz MIFLTNQPOBFQSD-LBPRGKRZSA-N 0 3 319.371 4.238 20 30 DIEDHN CCCCCCCN1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001201787962 1048379540 /nfs/dbraw/zinc/37/95/40/1048379540.db2.gz QGYCJZDQINXSTP-UHFFFAOYSA-N 0 3 315.457 4.457 20 30 DIEDHN C=CC[C@@H](Nc1cc(N2CCCC2)nc(C)n1)c1ccccc1 ZINC001162901871 1048381024 /nfs/dbraw/zinc/38/10/24/1048381024.db2.gz GFLVNOBVNFXBDZ-QGZVFWFLSA-N 0 3 308.429 4.115 20 30 DIEDHN C=CC[C@@H](Nc1cc(Cl)nc2c1CCNC2)c1ccccc1 ZINC001162905509 1048382431 /nfs/dbraw/zinc/38/24/31/1048382431.db2.gz FUCVTRZNIARROC-OAHLLOKOSA-N 0 3 313.832 4.110 20 30 DIEDHN CCCCCCCCN1CCN(CCOc2ccccc2)CC1 ZINC001201825671 1048383360 /nfs/dbraw/zinc/38/33/60/1048383360.db2.gz BUKAHYODTZZMNA-UHFFFAOYSA-N 0 3 318.505 4.044 20 30 DIEDHN CCCCCCCCCN1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201839655 1048388189 /nfs/dbraw/zinc/38/81/89/1048388189.db2.gz OUNOKRMQRLVNMV-GOSISDBHSA-N 0 3 321.509 4.106 20 30 DIEDHN C=CCSCCNCc1c(Cl)cc(Cl)cc1N(C)C ZINC001201939321 1048397652 /nfs/dbraw/zinc/39/76/52/1048397652.db2.gz OYOHVIZNJAEDEA-UHFFFAOYSA-N 0 3 319.301 4.068 20 30 DIEDHN N=C(Nc1ccc2ccncc2c1)c1ccc(C(F)(F)F)cc1 ZINC001163680342 1048503799 /nfs/dbraw/zinc/50/37/99/1048503799.db2.gz ORWADQDTMKICGM-UHFFFAOYSA-N 0 3 315.298 4.291 20 30 DIEDHN Cc1cc(C)cc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)c1 ZINC001163752986 1048517946 /nfs/dbraw/zinc/51/79/46/1048517946.db2.gz FGQUTBFJELOXGD-LPYMAVHISA-N 0 3 306.413 4.009 20 30 DIEDHN C=CCN1CCC[C@@H]1c1ccc(NCC(=O)C(C)(C)C)cc1 ZINC001164007683 1048568798 /nfs/dbraw/zinc/56/87/98/1048568798.db2.gz JLBTZHYQEOENRN-QGZVFWFLSA-N 0 3 300.446 4.037 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000850427954 1048653947 /nfs/dbraw/zinc/65/39/47/1048653947.db2.gz IKPBLEXFZNBUDJ-CABCVRRESA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H]1CCCc2ccc(OC)cc21 ZINC000482906543 1048702895 /nfs/dbraw/zinc/70/28/95/1048702895.db2.gz WOIVQMDRJGUZBT-HXUWFJFHSA-N 0 3 323.436 4.427 20 30 DIEDHN CCN(C)c1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775384781 1048733717 /nfs/dbraw/zinc/73/37/17/1048733717.db2.gz GLCMJYXOMMDBRB-FQEVSTJZSA-N 0 3 319.452 4.182 20 30 DIEDHN CC(C)c1ccc(CN(Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000483149532 1048747361 /nfs/dbraw/zinc/74/73/61/1048747361.db2.gz VMYDFMJWURMKNR-UHFFFAOYSA-N 0 3 307.441 4.185 20 30 DIEDHN C#CC[C@H](NCc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 ZINC000775400187 1048764117 /nfs/dbraw/zinc/76/41/17/1048764117.db2.gz XFSVCXOHOXUCFP-FQEVSTJZSA-N 0 3 321.420 4.106 20 30 DIEDHN Cc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)s3)C2)cc1 ZINC001190683594 1048777696 /nfs/dbraw/zinc/77/76/96/1048777696.db2.gz XJLRWTUJJXRJAL-QGZVFWFLSA-N 0 3 310.466 4.383 20 30 DIEDHN CCCCCCCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000851645682 1048792920 /nfs/dbraw/zinc/79/29/20/1048792920.db2.gz MRTWBKLONXXLFD-GOSISDBHSA-N 0 3 318.461 4.037 20 30 DIEDHN CN(CCCCC1(C#N)CCC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC001176837245 1048794571 /nfs/dbraw/zinc/79/45/71/1048794571.db2.gz HZUSAPJODMVPOO-UHFFFAOYSA-N 0 3 322.456 4.373 20 30 DIEDHN C=CC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC001204180109 1048798628 /nfs/dbraw/zinc/79/86/28/1048798628.db2.gz GWESDQOPZNWUCZ-UHFFFAOYSA-N 0 3 312.379 4.169 20 30 DIEDHN CCCCCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001190924714 1048799378 /nfs/dbraw/zinc/79/93/78/1048799378.db2.gz MVOCRMROSPANFK-GOSISDBHSA-N 0 3 318.505 4.344 20 30 DIEDHN C=CCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CCCCC1 ZINC001190984674 1048810470 /nfs/dbraw/zinc/81/04/70/1048810470.db2.gz KWOMMLZXYNSOPI-HKUYNNGSSA-N 0 3 320.521 4.092 20 30 DIEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000483513660 1048812745 /nfs/dbraw/zinc/81/27/45/1048812745.db2.gz OJJWQZOISZRXKJ-AWEZNQCLSA-N 0 3 312.388 4.289 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663314 1048837739 /nfs/dbraw/zinc/83/77/39/1048837739.db2.gz RHSYXKBKNXICRY-FPMFFAJLSA-N 0 3 317.408 4.435 20 30 DIEDHN CCCN(Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2cccnc21 ZINC000483703455 1048842713 /nfs/dbraw/zinc/84/27/13/1048842713.db2.gz XUWLKYWGNFAVBM-IBGZPJMESA-N 0 3 323.415 4.382 20 30 DIEDHN C=CCC1(NCc2c(Cl)n(C)nc2C(F)(F)F)CCCC1 ZINC000852588080 1048852663 /nfs/dbraw/zinc/85/26/63/1048852663.db2.gz OEPUFDJORUPRGG-UHFFFAOYSA-N 0 3 321.774 4.071 20 30 DIEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1OCC#N ZINC000852700201 1048859293 /nfs/dbraw/zinc/85/92/93/1048859293.db2.gz BRXRDAQWVTXABR-SFESLNEESA-N 0 3 304.821 4.005 20 30 DIEDHN N#Cc1ccc(CC2CCN(Cc3ccccc3F)CC2)cc1 ZINC001203354305 1048866127 /nfs/dbraw/zinc/86/61/27/1048866127.db2.gz YNVXSFJRWTZBEW-UHFFFAOYSA-N 0 3 308.400 4.152 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091524 1048880369 /nfs/dbraw/zinc/88/03/69/1048880369.db2.gz LHWPDGCKUZUNPS-IERDGZPVSA-N 0 3 320.436 4.392 20 30 DIEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241327 1048890992 /nfs/dbraw/zinc/89/09/92/1048890992.db2.gz LDKGDHXJBGBUSV-VBKZILBWSA-N 0 3 318.420 4.221 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001203510837 1048914340 /nfs/dbraw/zinc/91/43/40/1048914340.db2.gz AWXOQHBQCSVRAE-GRDNDAEWSA-N 0 3 303.833 4.020 20 30 DIEDHN CCCCN(CCCC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191297503 1048918164 /nfs/dbraw/zinc/91/81/64/1048918164.db2.gz KZYQCRYDGGBEJB-UHFFFAOYSA-N 0 3 321.852 4.052 20 30 DIEDHN N#CC(Cc1cccs1)C(=O)Nc1cc2ccccc2s1 ZINC001177904142 1048961214 /nfs/dbraw/zinc/96/12/14/1048961214.db2.gz NGEIZQMTLXDQAL-GFCCVEGCSA-N 0 3 312.419 4.284 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@]3(CCc4c3cccc4F)C2)c1 ZINC001203764348 1048994356 /nfs/dbraw/zinc/99/43/56/1048994356.db2.gz BRMJMPZGWDHULL-NRFANRHFSA-N 0 3 320.411 4.177 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@]3(CCc4c3cccc4F)C2)c1 ZINC001203764357 1048994387 /nfs/dbraw/zinc/99/43/87/1048994387.db2.gz BRMJMPZGWDHULL-OAQYLSRUSA-N 0 3 320.411 4.177 20 30 DIEDHN C#CCCCCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001191960774 1049025620 /nfs/dbraw/zinc/02/56/20/1049025620.db2.gz LUWDMHXUAUBDDX-UHFFFAOYSA-N 0 3 304.865 4.046 20 30 DIEDHN C#CCN(Cc1ccc(OC)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001203898830 1049028412 /nfs/dbraw/zinc/02/84/12/1049028412.db2.gz OKOGVHSDPHFGHT-HXUWFJFHSA-N 0 3 305.421 4.126 20 30 DIEDHN N#Cc1cncc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC001192081149 1049033620 /nfs/dbraw/zinc/03/36/20/1049033620.db2.gz SUYSGGNRKSHZDD-NRFANRHFSA-N 0 3 313.404 4.027 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000113339224 1049033851 /nfs/dbraw/zinc/03/38/51/1049033851.db2.gz PNJSRDBGUWXYOJ-HXUWFJFHSA-N 0 3 309.384 4.005 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000113331857 1049034703 /nfs/dbraw/zinc/03/47/03/1049034703.db2.gz SYZICNAZUHKCSX-HXUWFJFHSA-N 0 3 321.420 4.092 20 30 DIEDHN C[C@H](NCc1ccccc1N1CCCCC1)c1ccc(C#N)cc1 ZINC000192940861 1049040036 /nfs/dbraw/zinc/04/00/36/1049040036.db2.gz XXHMYUIYUPXHRO-KRWDZBQOSA-N 0 3 319.452 4.399 20 30 DIEDHN C=CCCCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001192149725 1049042559 /nfs/dbraw/zinc/04/25/59/1049042559.db2.gz QRHNFOIHTAIASE-UHFFFAOYSA-N 0 3 306.425 4.221 20 30 DIEDHN N#CC1(c2ccc(CNCc3ccc4ncccc4c3)cc2)CC1 ZINC001178640485 1049064853 /nfs/dbraw/zinc/06/48/53/1049064853.db2.gz VPCVRJWDLUQHHO-UHFFFAOYSA-N 0 3 313.404 4.080 20 30 DIEDHN Cc1cc(CNCc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC001204058157 1049074237 /nfs/dbraw/zinc/07/42/37/1049074237.db2.gz XWLSMZHXXGSEMO-UHFFFAOYSA-N 0 3 320.314 4.055 20 30 DIEDHN CCCOc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1C ZINC001178699988 1049077069 /nfs/dbraw/zinc/07/70/69/1049077069.db2.gz FMZPAZHUMMNBPA-UHFFFAOYSA-N 0 3 320.436 4.434 20 30 DIEDHN N#CCC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553212 1049146601 /nfs/dbraw/zinc/14/66/01/1049146601.db2.gz MOUQDCBJKWQJMA-QZTJIDSGSA-N 0 3 314.816 4.008 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000115622315 1049199029 /nfs/dbraw/zinc/19/90/29/1049199029.db2.gz RDRZKWKBWBHJSW-APWZRJJASA-N 0 3 323.440 4.168 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2[C@@H](C)CC[C@@H]2C)cc1OC ZINC001204625004 1049205629 /nfs/dbraw/zinc/20/56/29/1049205629.db2.gz IZSJGGAATQIMGA-STQMWFEESA-N 0 3 309.837 4.286 20 30 DIEDHN C=C(C)[C@H](NCCc1ncc(C)cc1C)c1ccc(F)c(F)c1 ZINC001193575619 1049226687 /nfs/dbraw/zinc/22/66/87/1049226687.db2.gz RGCLXNCGHCUNIR-IBGZPJMESA-N 0 3 316.395 4.426 20 30 DIEDHN C=C(C)[C@@H](NCCc1ncc(C)cc1C)c1ccc(F)c(F)c1 ZINC001193575620 1049226987 /nfs/dbraw/zinc/22/69/87/1049226987.db2.gz RGCLXNCGHCUNIR-LJQANCHMSA-N 0 3 316.395 4.426 20 30 DIEDHN CC[C@H]1c2ccccc2CCN1Cc1cc(C#N)ccc1N(C)C ZINC001179931560 1049230841 /nfs/dbraw/zinc/23/08/41/1049230841.db2.gz NYZFIFMADUREOL-FQEVSTJZSA-N 0 3 319.452 4.134 20 30 DIEDHN C=CC(C)(C)CCN[C@@H](C)c1nc(Br)cs1 ZINC000858447978 1049259628 /nfs/dbraw/zinc/25/96/28/1049259628.db2.gz UAQXPZFRRRYKEL-VIFPVBQESA-N 0 3 303.269 4.159 20 30 DIEDHN C=CC[C@@H]1N(Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1(C)C ZINC001193920562 1049283490 /nfs/dbraw/zinc/28/34/90/1049283490.db2.gz OWPBTCMYQYFDLL-INIZCTEOSA-N 0 3 306.381 4.301 20 30 DIEDHN CCCCCCCOC(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001194004613 1049296275 /nfs/dbraw/zinc/29/62/75/1049296275.db2.gz XLHVDDALJQPONV-UHFFFAOYSA-N 0 3 324.509 4.432 20 30 DIEDHN C#CCCCCCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC001180413340 1049361119 /nfs/dbraw/zinc/36/11/19/1049361119.db2.gz SOFUEZRKTOUZHJ-UHFFFAOYSA-N 0 3 318.892 4.041 20 30 DIEDHN COc1cccc([C@H]2C[C@@H](C)CN2CC#Cc2ccccc2)c1 ZINC001180834329 1049408506 /nfs/dbraw/zinc/40/85/06/1049408506.db2.gz DQKYQUXOMSAIRS-DYESRHJHSA-N 0 3 305.421 4.130 20 30 DIEDHN COc1cccc([C@@H]2C[C@H](C)CN2CC#Cc2ccccc2)c1 ZINC001180834332 1049408654 /nfs/dbraw/zinc/40/86/54/1049408654.db2.gz DQKYQUXOMSAIRS-UWJYYQICSA-N 0 3 305.421 4.130 20 30 DIEDHN COc1cc(CN2CCC[C@H]2c2ccc(C)cc2)ccc1C#N ZINC001205193767 1049409239 /nfs/dbraw/zinc/40/92/39/1049409239.db2.gz YDNFLXRQNOESMQ-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN Cc1cc(C#N)ccc1CN1Cc2ccccc2OC(C)(C)C1 ZINC001194816877 1049434086 /nfs/dbraw/zinc/43/40/86/1049434086.db2.gz LTMPSQRCQSJSSB-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN CCCCCCCCN1CCc2c(cccc2C(=O)OC)C1 ZINC001194900516 1049445867 /nfs/dbraw/zinc/44/58/67/1049445867.db2.gz XYPPJWICQANXET-UHFFFAOYSA-N 0 3 303.446 4.192 20 30 DIEDHN COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C#N)c(C)c1)[C@H]2C ZINC001205353908 1049447744 /nfs/dbraw/zinc/44/77/44/1049447744.db2.gz PFZCBUCGFYPYJP-HOTGVXAUSA-N 0 3 320.436 4.383 20 30 DIEDHN Cc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)ccc1C#N ZINC000486734152 1049463805 /nfs/dbraw/zinc/46/38/05/1049463805.db2.gz GODMECVDRWDQMU-NRFANRHFSA-N 0 3 320.436 4.048 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)c(C)c2)C2CC2)cc1 ZINC000486816055 1049476100 /nfs/dbraw/zinc/47/61/00/1049476100.db2.gz BGNTUNWKGFDOAN-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN N#Cc1cc(CN2CCC3(CCc4ccccc43)CC2)ccc1F ZINC001205459201 1049476274 /nfs/dbraw/zinc/47/62/74/1049476274.db2.gz HEZTXBTYDPBEOJ-UHFFFAOYSA-N 0 3 320.411 4.177 20 30 DIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(C#N)c(C)c2)cc1 ZINC000486802421 1049478195 /nfs/dbraw/zinc/47/81/95/1049478195.db2.gz ONOCJJLWHWNRQC-HXUWFJFHSA-N 0 3 306.409 4.212 20 30 DIEDHN C#CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000775655995 1049527491 /nfs/dbraw/zinc/52/74/91/1049527491.db2.gz YPDXOEQJYRSQBL-FQEVSTJZSA-N 0 3 302.421 4.342 20 30 DIEDHN C#C[C@@H](CC)NCc1ccccc1Oc1ccc(C)cc1OC ZINC001205713668 1049541628 /nfs/dbraw/zinc/54/16/28/1049541628.db2.gz FTTZGWYQGZHOQJ-KRWDZBQOSA-N 0 3 309.409 4.297 20 30 DIEDHN C=CCC[C@@H](CC)NCc1nc2ccc(Br)cc2o1 ZINC001182063386 1049567703 /nfs/dbraw/zinc/56/77/03/1049567703.db2.gz UVPJMDSVGYLAOO-GFCCVEGCSA-N 0 3 323.234 4.425 20 30 DIEDHN C=CCCn1cc(CN(CCCC)[C@H]2CCC[C@H](C)C2)nn1 ZINC001182072526 1049570137 /nfs/dbraw/zinc/57/01/37/1049570137.db2.gz PYXHIDKDIVHFBE-WMZOPIPTSA-N 0 3 304.482 4.035 20 30 DIEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773977778 1049572063 /nfs/dbraw/zinc/57/20/63/1049572063.db2.gz YJUWUMNZWSXDCD-FZMZJTMJSA-N 0 3 320.820 4.060 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2coc3ccccc23)c1 ZINC000121433686 1049581829 /nfs/dbraw/zinc/58/18/29/1049581829.db2.gz DCDAPKHMPLVZKG-KRWDZBQOSA-N 0 3 320.392 4.404 20 30 DIEDHN C=CC[C@@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946744 1049598127 /nfs/dbraw/zinc/59/81/27/1049598127.db2.gz MVSKYFSPDHSTRL-MLGOLLRUSA-N 0 3 314.256 4.315 20 30 DIEDHN C=CC[C@@H]1CCCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947180 1049599493 /nfs/dbraw/zinc/59/94/93/1049599493.db2.gz RBXXWFIGJXSFIL-HZPDHXFCSA-N 0 3 311.429 4.394 20 30 DIEDHN C=CC[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001195954932 1049599820 /nfs/dbraw/zinc/59/98/20/1049599820.db2.gz MYEQYYWNOSGERR-WBMJQRKESA-N 0 3 314.256 4.315 20 30 DIEDHN C#C[C@H](N[C@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974821 1049616659 /nfs/dbraw/zinc/61/66/59/1049616659.db2.gz SZPAFZJFGHWKAL-KUHUBIRLSA-N 0 3 307.368 4.467 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)[C@H](C)[C@H]2C)cc1OC ZINC001182452913 1049658046 /nfs/dbraw/zinc/65/80/46/1049658046.db2.gz QEHRENYFMOQVHZ-MELADBBJSA-N 0 3 323.864 4.390 20 30 DIEDHN C=C(Cl)CN1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001196497963 1049666475 /nfs/dbraw/zinc/66/64/75/1049666475.db2.gz JPFHPWWPDFHWAV-UHFFFAOYSA-N 0 3 306.881 4.114 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2scnc2c1 ZINC001182499773 1049679463 /nfs/dbraw/zinc/67/94/63/1049679463.db2.gz OUFQXFIKVZSOJL-CYBMUJFWSA-N 0 3 307.422 4.361 20 30 DIEDHN CCN(Cc1ccc(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000488621269 1049684774 /nfs/dbraw/zinc/68/47/74/1049684774.db2.gz YTZWMEWHQYAYOG-ZDUSSCGKSA-N 0 3 300.352 4.420 20 30 DIEDHN C/C=C/COc1ccc(CC[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC001206328280 1049713504 /nfs/dbraw/zinc/71/35/04/1049713504.db2.gz IPHKBFDJPFGNIS-REMYHPOOSA-N 0 3 312.457 4.246 20 30 DIEDHN C#CC[C@H]1CCCN(Cc2cc(Br)c(C)s2)C1 ZINC001206408447 1049729137 /nfs/dbraw/zinc/72/91/37/1049729137.db2.gz AFJUVUMQUWYJDU-LBPRGKRZSA-N 0 3 312.276 4.054 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206463318 1049737933 /nfs/dbraw/zinc/73/79/33/1049737933.db2.gz FJICLEKCBBXRAS-MRXNPFEDSA-N 0 3 309.384 4.463 20 30 DIEDHN CCCCCCCC[C@H](CC)OCCCN1CCN(C)CC1 ZINC001206596594 1049765862 /nfs/dbraw/zinc/76/58/62/1049765862.db2.gz PIWGENVMMXCPKO-IBGZPJMESA-N 0 3 312.542 4.170 20 30 DIEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1(C)CCCC1 ZINC000489866476 1049786488 /nfs/dbraw/zinc/78/64/88/1049786488.db2.gz ZGDAZGZGGLGUOD-UHFFFAOYSA-N 0 3 323.440 4.002 20 30 DIEDHN C=CC(C)(C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001206776437 1049798119 /nfs/dbraw/zinc/79/81/19/1049798119.db2.gz BFTISVSVTVFIGH-UHFFFAOYSA-N 0 3 312.251 4.155 20 30 DIEDHN Cc1ccc([C@@H]2CCCCN2Cc2cc(C#N)n(C)c2)cc1C ZINC001207110437 1049837540 /nfs/dbraw/zinc/83/75/40/1049837540.db2.gz MPPXZPIGNGAYRV-FQEVSTJZSA-N 0 3 307.441 4.241 20 30 DIEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(Br)cc1F ZINC001207742308 1049932671 /nfs/dbraw/zinc/93/26/71/1049932671.db2.gz RYJWXIGCSTWULC-SNVBAGLBSA-N 0 3 313.214 4.006 20 30 DIEDHN C=CCCCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC001207899423 1049950548 /nfs/dbraw/zinc/95/05/48/1049950548.db2.gz ZJJBOCBSBFJKIA-FQEVSTJZSA-N 0 3 322.537 4.090 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001208177092 1049980998 /nfs/dbraw/zinc/98/09/98/1049980998.db2.gz MUHKSLJAULEAFU-GOSISDBHSA-N 0 3 315.457 4.438 20 30 DIEDHN C=C(C)[C@@H]1CC=C(CN2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208177094 1049981486 /nfs/dbraw/zinc/98/14/86/1049981486.db2.gz MWOKXAYCSZSHTJ-QGZVFWFLSA-N 0 3 319.489 4.343 20 30 DIEDHN N#CC1(c2ccccc2)CCN(CCc2ccc(Cl)cc2)CC1 ZINC001208736554 1050008694 /nfs/dbraw/zinc/00/86/94/1050008694.db2.gz GSGOUNOZYPKBET-UHFFFAOYSA-N 0 3 324.855 4.440 20 30 DIEDHN N#Cc1ccc(CCN2CCC[C@H]2c2c(F)cccc2F)cc1 ZINC001208928410 1050024073 /nfs/dbraw/zinc/02/40/73/1050024073.db2.gz BUFRPUIYZCOLTA-SFHVURJKSA-N 0 3 312.363 4.216 20 30 DIEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343254 1050028667 /nfs/dbraw/zinc/02/86/67/1050028667.db2.gz CSXOPJUYBJVKTD-VLIAUNLRSA-N 0 3 313.404 4.445 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000589317464 1050029026 /nfs/dbraw/zinc/02/90/26/1050029026.db2.gz LTPBOJOBJMGWMJ-OAHLLOKOSA-N 0 3 300.452 4.119 20 30 DIEDHN C=CCCCCCN1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001209427143 1050057882 /nfs/dbraw/zinc/05/78/82/1050057882.db2.gz GJHJNPSNAZGCIP-UHFFFAOYSA-N 0 3 313.441 4.233 20 30 DIEDHN C=CCCCCCCCCN1CCc2nc(Cl)ncc2C1 ZINC001209444480 1050060631 /nfs/dbraw/zinc/06/06/31/1050060631.db2.gz QLUFEQCQJOPIDB-UHFFFAOYSA-N 0 3 307.869 4.405 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244530 1050082892 /nfs/dbraw/zinc/08/28/92/1050082892.db2.gz AGMXKAFZVQDIFA-AUUYWEPGSA-N 0 3 322.408 4.147 20 30 DIEDHN C=C(C)CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000590786559 1050107586 /nfs/dbraw/zinc/10/75/86/1050107586.db2.gz GWWVZMWKMODVIC-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN C=C(C)COc1cc(CNCc2ccc(C)cc2)ccc1OC ZINC000057959111 1050135412 /nfs/dbraw/zinc/13/54/12/1050135412.db2.gz XLVIEWCVUCEETJ-UHFFFAOYSA-N 0 3 311.425 4.248 20 30 DIEDHN C=C1CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000760833537 1050156561 /nfs/dbraw/zinc/15/65/61/1050156561.db2.gz IJFNXMNSUGGCJD-UHFFFAOYSA-N 0 3 302.418 4.186 20 30 DIEDHN CC(C)(C)Oc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000591503718 1050161951 /nfs/dbraw/zinc/16/19/51/1050161951.db2.gz LBEPNGFYXMVLQF-UHFFFAOYSA-N 0 3 312.388 4.164 20 30 DIEDHN C=CCOCCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000348047071 1050174506 /nfs/dbraw/zinc/17/45/06/1050174506.db2.gz KXADCNHBOXXCAU-AWEZNQCLSA-N 0 3 305.315 4.002 20 30 DIEDHN C#CC[C@H](NCc1ccc2c(c1)OCCCCO2)c1ccccc1 ZINC000824037632 1050177931 /nfs/dbraw/zinc/17/79/31/1050177931.db2.gz WDZKYJNJDYPPOD-IBGZPJMESA-N 0 3 321.420 4.092 20 30 DIEDHN C#CCCN(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000760844207 1050178727 /nfs/dbraw/zinc/17/87/27/1050178727.db2.gz NMTTYZYDDHDAEO-HXUWFJFHSA-N 0 3 321.420 4.044 20 30 DIEDHN N#Cc1cnccc1CN(CCc1cccc(F)c1)C1CCCC1 ZINC000592072818 1050269482 /nfs/dbraw/zinc/26/94/82/1050269482.db2.gz YYHUXYNAYOYRHF-UHFFFAOYSA-N 0 3 323.415 4.080 20 30 DIEDHN CN(Cc1ccncc1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000592125205 1050271655 /nfs/dbraw/zinc/27/16/55/1050271655.db2.gz UXDMYEBFKXTHBW-UXHICEINSA-N 0 3 305.425 4.111 20 30 DIEDHN CN(Cc1ccncc1C#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000592125204 1050271856 /nfs/dbraw/zinc/27/18/56/1050271856.db2.gz UXDMYEBFKXTHBW-PMACEKPBSA-N 0 3 305.425 4.111 20 30 DIEDHN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(CC#N)cc1 ZINC000592371042 1050289084 /nfs/dbraw/zinc/28/90/84/1050289084.db2.gz BKIKIJCTAKGREQ-UHFFFAOYSA-N 0 3 318.342 4.370 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OC)c(O[C@@H](C)CC)c2)c1 ZINC000825227397 1050290914 /nfs/dbraw/zinc/29/09/14/1050290914.db2.gz TUDPMAVFGCSCNV-INIZCTEOSA-N 0 3 323.436 4.144 20 30 DIEDHN C#CCOc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000771894404 1050298723 /nfs/dbraw/zinc/29/87/23/1050298723.db2.gz XGQQUGDIBVLHQD-HXUWFJFHSA-N 0 3 309.384 4.005 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H](SC)C2)c([O-])c1 ZINC000735228895 1050355995 /nfs/dbraw/zinc/35/59/95/1050355995.db2.gz KQHNTVUHLBFGLL-FLDNEHPCSA-N 0 3 320.502 4.332 20 30 DIEDHN CC1(C)C[C@H](N[C@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673733 1050435325 /nfs/dbraw/zinc/43/53/25/1050435325.db2.gz IMHVKGODMRYFQG-INWMFGNUSA-N 0 3 302.393 4.100 20 30 DIEDHN N#CCCN(C1CCCC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171131641 1050449587 /nfs/dbraw/zinc/44/95/87/1050449587.db2.gz YWZMJAZDOJXQMJ-SFHVURJKSA-N 0 3 302.849 4.356 20 30 DIEDHN N#CCOc1ccc(CN2CCCCC[C@@H]2c2ccco2)cc1 ZINC000736623716 1050484906 /nfs/dbraw/zinc/48/49/06/1050484906.db2.gz PLDPPXAQKTXGAR-GOSISDBHSA-N 0 3 310.397 4.299 20 30 DIEDHN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)c2ccccc2O1 ZINC000594506528 1050521867 /nfs/dbraw/zinc/52/18/67/1050521867.db2.gz ANWAGCIAVXSJBR-DNVCBOLYSA-N 0 3 320.436 4.490 20 30 DIEDHN Cc1nc(C)c([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594514642 1050526923 /nfs/dbraw/zinc/52/69/23/1050526923.db2.gz KNAOHJOYCAOPMJ-ZDUSSCGKSA-N 0 3 311.454 4.362 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCc4ccc(F)cc43)CCC2)cc1 ZINC000594516467 1050527734 /nfs/dbraw/zinc/52/77/34/1050527734.db2.gz RTGIEJDCONYOSA-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN CCOc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594518602 1050529143 /nfs/dbraw/zinc/52/91/43/1050529143.db2.gz IGWOGXHPGQRRQS-UHFFFAOYSA-N 0 3 306.409 4.126 20 30 DIEDHN N#Cc1ccc(C2(NCC3=Cc4ccccc4OC3)CCC2)cc1 ZINC000594521285 1050530488 /nfs/dbraw/zinc/53/04/88/1050530488.db2.gz TWOUMKFQWUHNEM-UHFFFAOYSA-N 0 3 316.404 4.003 20 30 DIEDHN CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594521180 1050531339 /nfs/dbraw/zinc/53/13/39/1050531339.db2.gz SFNFJLZMWMBDME-UHFFFAOYSA-N 0 3 324.399 4.265 20 30 DIEDHN C=CCOc1ccc(CNC(C)(C)c2ccccc2)cc1OC ZINC000065275154 1050559406 /nfs/dbraw/zinc/55/94/06/1050559406.db2.gz JNDYXFSKYKJBMV-UHFFFAOYSA-N 0 3 311.425 4.285 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594917245 1050563057 /nfs/dbraw/zinc/56/30/57/1050563057.db2.gz IFDWHGQRRYXCCR-AWEZNQCLSA-N 0 3 324.399 4.240 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000594918023 1050563235 /nfs/dbraw/zinc/56/32/35/1050563235.db2.gz OPOKLYJAWBDJRD-LJQANCHMSA-N 0 3 306.384 4.158 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594921829 1050563837 /nfs/dbraw/zinc/56/38/37/1050563837.db2.gz UNCJZVQXTJJEMX-MRXNPFEDSA-N 0 3 320.436 4.491 20 30 DIEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000594923162 1050564066 /nfs/dbraw/zinc/56/40/66/1050564066.db2.gz DRXIKBMTWUCMPX-AWEZNQCLSA-N 0 3 321.380 4.001 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001211436156 1050565988 /nfs/dbraw/zinc/56/59/88/1050565988.db2.gz CSEJHCIOQYGXIA-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(Cl)c2C)no1 ZINC001211436441 1050566208 /nfs/dbraw/zinc/56/62/08/1050566208.db2.gz LFILJKNPCNCAJU-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001211436721 1050567719 /nfs/dbraw/zinc/56/77/19/1050567719.db2.gz UOZQVJWTSYJAFJ-UHFFFAOYSA-N 0 3 311.429 4.359 20 30 DIEDHN N=C(Nc1cccc2c1CC=C2)c1ccc2cc(O)ccc2c1 ZINC001171181856 1050575867 /nfs/dbraw/zinc/57/58/67/1050575867.db2.gz FAWNIXOMRZLGEB-UHFFFAOYSA-N 0 3 300.361 4.152 20 30 DIEDHN CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594936466 1050576135 /nfs/dbraw/zinc/57/61/35/1050576135.db2.gz CYIANLLYHSLUJA-FQEVSTJZSA-N 0 3 306.409 4.043 20 30 DIEDHN C=CCCSCCNCc1ccc(-c2ccncc2)cc1F ZINC000594960158 1050581041 /nfs/dbraw/zinc/58/10/41/1050581041.db2.gz LNKZOPXYSAYLTI-UHFFFAOYSA-N 0 3 316.445 4.287 20 30 DIEDHN CC(C)(NCc1ccc(C2(C#N)CC2)cc1)c1cccc(C#N)c1 ZINC000594966918 1050584093 /nfs/dbraw/zinc/58/40/93/1050584093.db2.gz DBDJAFFMZRYXEU-UHFFFAOYSA-N 0 3 315.420 4.138 20 30 DIEDHN C=C[C@H]1CCCCN1Cc1sc2nc(C)nc(C)c2c1C ZINC000787308577 1050590447 /nfs/dbraw/zinc/59/04/47/1050590447.db2.gz DDEMRDZSFURYAA-AWEZNQCLSA-N 0 3 301.459 4.157 20 30 DIEDHN Cc1cccnc1[C@H]1CCC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000595090489 1050609360 /nfs/dbraw/zinc/60/93/60/1050609360.db2.gz GFWZSBMFOZVNMU-ROUUACIJSA-N 0 3 311.473 4.480 20 30 DIEDHN C#Cc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC001144578768 1050619805 /nfs/dbraw/zinc/61/98/05/1050619805.db2.gz OANGKYVAILMAIF-UHFFFAOYSA-N 0 3 317.432 4.028 20 30 DIEDHN C[C@H](NCc1coc2ccccc12)c1ccc(OCC#N)cc1 ZINC000746727956 1050654755 /nfs/dbraw/zinc/65/47/55/1050654755.db2.gz JDLXVSMYWQBALE-AWEZNQCLSA-N 0 3 306.365 4.186 20 30 DIEDHN COc1ccc(CNCc2ccc(C(C)(C)C)s2)cc1C#N ZINC000746740164 1050662091 /nfs/dbraw/zinc/66/20/91/1050662091.db2.gz DBVJOOYNZPXXIU-UHFFFAOYSA-N 0 3 314.454 4.216 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593125895 1050673593 /nfs/dbraw/zinc/67/35/93/1050673593.db2.gz QJZHFVUDTOMBIA-ACRUOGEOSA-N 0 3 318.420 4.053 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593124791 1050673700 /nfs/dbraw/zinc/67/37/00/1050673700.db2.gz JKNJWSIYYOCQOZ-ACRUOGEOSA-N 0 3 318.420 4.053 20 30 DIEDHN CC[C@@H](/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])c1ccncc1 ZINC000741466521 1050682714 /nfs/dbraw/zinc/68/27/14/1050682714.db2.gz UNIQDVNRBIVMRK-MKYLKIGJSA-N 0 3 311.429 4.204 20 30 DIEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc(C#N)cc1 ZINC000788978056 1050778414 /nfs/dbraw/zinc/77/84/14/1050778414.db2.gz NURKVNMGMCVLKX-IBGZPJMESA-N 0 3 306.409 4.079 20 30 DIEDHN N#CC1(c2ccc(CN(Cc3cccs3)C3CC3)cc2)CC1 ZINC000596980188 1050792281 /nfs/dbraw/zinc/79/22/81/1050792281.db2.gz VGLDALUUAAYREM-UHFFFAOYSA-N 0 3 308.450 4.468 20 30 DIEDHN C[C@@H]1c2ccsc2CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596978637 1050793050 /nfs/dbraw/zinc/79/30/50/1050793050.db2.gz BGKCZQXJHUCGMX-CQSZACIVSA-N 0 3 308.450 4.423 20 30 DIEDHN CC[C@H](Cc1ccc(Br)cc1)N[C@@H](CC)CC#N ZINC000597086470 1050806302 /nfs/dbraw/zinc/80/63/02/1050806302.db2.gz LEZVABUHKZLIDB-LSDHHAIUSA-N 0 3 309.251 4.052 20 30 DIEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)[C@H](C)c1cccnc1 ZINC000597132440 1050811170 /nfs/dbraw/zinc/81/11/70/1050811170.db2.gz HSGZLDAKDQCASL-MRXNPFEDSA-N 0 3 305.425 4.220 20 30 DIEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cc(C)c1OC(F)F ZINC000597175117 1050817791 /nfs/dbraw/zinc/81/77/91/1050817791.db2.gz WSVDIKJQRPVPLW-CQSZACIVSA-N 0 3 308.372 4.031 20 30 DIEDHN N#CCCCOc1cccc(CN2CCC(c3ccco3)CC2)c1 ZINC000597178328 1050822193 /nfs/dbraw/zinc/82/21/93/1050822193.db2.gz CLHKLEBRKXEXLX-UHFFFAOYSA-N 0 3 324.424 4.342 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000772987903 1050925174 /nfs/dbraw/zinc/92/51/74/1050925174.db2.gz MJQCXOUBNWNSNJ-AWEZNQCLSA-N 0 3 311.450 4.100 20 30 DIEDHN COc1c(C)cc([C@@H](C)NCc2cccc(C#N)c2)cc1Cl ZINC000796693941 1050937649 /nfs/dbraw/zinc/93/76/49/1050937649.db2.gz HTXUDJZLIXWYKA-CYBMUJFWSA-N 0 3 314.816 4.380 20 30 DIEDHN COc1c(C)cc([C@H](C)NCc2cccc(C#N)c2)cc1Cl ZINC000796693943 1050938229 /nfs/dbraw/zinc/93/82/29/1050938229.db2.gz HTXUDJZLIXWYKA-ZDUSSCGKSA-N 0 3 314.816 4.380 20 30 DIEDHN C=CCCCNCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000790483842 1050963641 /nfs/dbraw/zinc/96/36/41/1050963641.db2.gz KNNDWOCSHXDKPE-UHFFFAOYSA-N 0 3 307.800 4.029 20 30 DIEDHN C=CC[C@@H](CC)NCc1cnn(Cc2ccccc2)c1Cl ZINC000790600414 1050977022 /nfs/dbraw/zinc/97/70/22/1050977022.db2.gz BHOXNIHDJCWNKI-MRXNPFEDSA-N 0 3 303.837 4.029 20 30 DIEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743261189 1051008049 /nfs/dbraw/zinc/00/80/49/1051008049.db2.gz KRCWVGHCKNRSIT-GOSISDBHSA-N 0 3 301.817 4.062 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cc(C)c(C)cc2C)cc1C#N ZINC000773073447 1051051225 /nfs/dbraw/zinc/05/12/25/1051051225.db2.gz DBDPHCHEIAPCPN-INIZCTEOSA-N 0 3 308.425 4.343 20 30 DIEDHN CCC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(OC)cc1 ZINC000773077457 1051053417 /nfs/dbraw/zinc/05/34/17/1051053417.db2.gz RHVLDKWAVMXJCT-LJQANCHMSA-N 0 3 324.424 4.206 20 30 DIEDHN C#CC[C@H](N[C@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773117907 1051066712 /nfs/dbraw/zinc/06/67/12/1051066712.db2.gz YICULNZKTDLCMW-MOPGFXCFSA-N 0 3 321.420 4.263 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(Cl)n1 ZINC000743842133 1051068520 /nfs/dbraw/zinc/06/85/20/1051068520.db2.gz DHVALKIHXZHOII-UHFFFAOYSA-N 0 3 313.832 4.265 20 30 DIEDHN C#CC[C@@H](N[C@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114277 1051069308 /nfs/dbraw/zinc/06/93/08/1051069308.db2.gz HZKRPJNFLLAYAL-RTWAWAEBSA-N 0 3 305.421 4.427 20 30 DIEDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743854962 1051076583 /nfs/dbraw/zinc/07/65/83/1051076583.db2.gz VMKUAAPLQBUKGH-YWZLYKJASA-N 0 3 324.399 4.311 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743858149 1051079384 /nfs/dbraw/zinc/07/93/84/1051079384.db2.gz YQSWNFNTUUTSCQ-QRWLVFNGSA-N 0 3 324.399 4.311 20 30 DIEDHN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(OCC#N)cc2)o1 ZINC000743872203 1051085626 /nfs/dbraw/zinc/08/56/26/1051085626.db2.gz QRSIZXCIHXJROS-HNAYVOBHSA-N 0 3 324.424 4.464 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CCCC2)C1 ZINC000743864784 1051086452 /nfs/dbraw/zinc/08/64/52/1051086452.db2.gz RXEFDUVDRIHNRP-UHFFFAOYSA-N 0 3 304.821 4.008 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000744037401 1051102136 /nfs/dbraw/zinc/10/21/36/1051102136.db2.gz VEVXUSAEULUPIC-TZMCWYRMSA-N 0 3 322.389 4.383 20 30 DIEDHN N#CC(C(=O)C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105968 1051116658 /nfs/dbraw/zinc/11/66/58/1051116658.db2.gz OPFQADNTHPXDGY-CNZFZVQHSA-N 0 3 316.335 4.264 20 30 DIEDHN N#CC(C(=O)C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095167 1051119521 /nfs/dbraw/zinc/11/95/21/1051119521.db2.gz UJWUEQXYVFWKHU-KJPDOMRESA-N 0 3 304.374 4.186 20 30 DIEDHN N#CC(C(=O)C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095168 1051119824 /nfs/dbraw/zinc/11/98/24/1051119824.db2.gz UJWUEQXYVFWKHU-OGZRUICASA-N 0 3 304.374 4.186 20 30 DIEDHN N#CC(C(=O)CCCC(F)(F)F)c1nccc2ccccc21 ZINC000792095174 1051119911 /nfs/dbraw/zinc/11/99/11/1051119911.db2.gz ULSGYCVROAMMCU-CYBMUJFWSA-N 0 3 306.287 4.144 20 30 DIEDHN C[C@H](NCc1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000037243098 1051130224 /nfs/dbraw/zinc/13/02/24/1051130224.db2.gz MGHZJAMMEGAZHV-ZDUSSCGKSA-N 0 3 300.789 4.093 20 30 DIEDHN C#CC[C@H]1CCCN([C@H](C)c2cccc(Br)c2)C1 ZINC001171489937 1051143665 /nfs/dbraw/zinc/14/36/65/1051143665.db2.gz KMZWKVCMLGDIOO-KGLIPLIRSA-N 0 3 306.247 4.245 20 30 DIEDHN C[C@]1(F)CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1F ZINC001170379168 1051199871 /nfs/dbraw/zinc/19/98/71/1051199871.db2.gz RVYIJYVJSOETSG-YBXZHIRMSA-N 0 3 318.411 4.163 20 30 DIEDHN CC(C)CN(CCO[C@@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000792927710 1051231888 /nfs/dbraw/zinc/23/18/88/1051231888.db2.gz RXIOIKVHHWKXIG-LSDHHAIUSA-N 0 3 308.853 4.288 20 30 DIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C#N ZINC001171959133 1051243391 /nfs/dbraw/zinc/24/33/91/1051243391.db2.gz QXARADJVBZZBRP-ZDUSSCGKSA-N 0 3 318.342 4.298 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC(C)(C)O1 ZINC000065424344 1051289843 /nfs/dbraw/zinc/28/98/43/1051289843.db2.gz GTGXPRSVVYAYHM-MRXNPFEDSA-N 0 3 320.436 4.225 20 30 DIEDHN CCN(Cc1cccc(F)c1F)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311937 1051338395 /nfs/dbraw/zinc/33/83/95/1051338395.db2.gz CNPYRYWNIMZMEB-AWEZNQCLSA-N 0 3 314.379 4.290 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)NC1(c2ccc(F)cc2F)CC1 ZINC001172296246 1051349643 /nfs/dbraw/zinc/34/96/43/1051349643.db2.gz GWHQBEBQQMEZAU-CYBMUJFWSA-N 0 3 312.363 4.046 20 30 DIEDHN C[C@H](CCCC#N)N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001172497318 1051418544 /nfs/dbraw/zinc/41/85/44/1051418544.db2.gz ATEHXUMBWHAAAY-GOSISDBHSA-N 0 3 321.468 4.040 20 30 DIEDHN C[C@H](CSc1ccc(Cl)cc1)NCc1cc(C#N)co1 ZINC001172873351 1051558869 /nfs/dbraw/zinc/55/88/69/1051558869.db2.gz LIWVECDPZIMMPJ-LLVKDONJSA-N 0 3 306.818 4.075 20 30 DIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CCC[C@H](CC#N)C1 ZINC001172881229 1051564163 /nfs/dbraw/zinc/56/41/63/1051564163.db2.gz FPQKNPWSOHNWQZ-ZIAGYGMSSA-N 0 3 308.878 4.446 20 30 DIEDHN C[C@H](CSc1ccc(Cl)cc1)N1CCC[C@@H](CC#N)C1 ZINC001172881227 1051564804 /nfs/dbraw/zinc/56/48/04/1051564804.db2.gz FPQKNPWSOHNWQZ-KGLIPLIRSA-N 0 3 308.878 4.446 20 30 DIEDHN C=CCOc1ccccc1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000493962739 1051673094 /nfs/dbraw/zinc/67/30/94/1051673094.db2.gz WBNVXFBHWBGBNN-UZLBHIALSA-N 0 3 311.425 4.117 20 30 DIEDHN CCCCCCCC[C@H](CCC)n1cc(CN)c(C)nc1=N ZINC001173310392 1051681266 /nfs/dbraw/zinc/68/12/66/1051681266.db2.gz UIVIYRZZBULTJG-KRWDZBQOSA-N 0 3 306.498 4.221 20 30 DIEDHN CCCC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001169755162 1051692506 /nfs/dbraw/zinc/69/25/06/1051692506.db2.gz UVFRNSIWFDPWFF-UHFFFAOYSA-N 0 3 311.400 4.185 20 30 DIEDHN CCCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001169755162 1051692513 /nfs/dbraw/zinc/69/25/13/1051692513.db2.gz UVFRNSIWFDPWFF-UHFFFAOYSA-N 0 3 311.400 4.185 20 30 DIEDHN CCc1cc(Nc2cccc3c2OCC[C@H]3N(C)C)ccc1C#N ZINC001216316706 1051695873 /nfs/dbraw/zinc/69/58/73/1051695873.db2.gz MSTHHUFLBVKZTG-LJQANCHMSA-N 0 3 321.424 4.249 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCC(C)(C)C ZINC000805845207 1051696842 /nfs/dbraw/zinc/69/68/42/1051696842.db2.gz JJXHQWJYJJKYPC-CQSZACIVSA-N 0 3 311.429 4.356 20 30 DIEDHN CCC[C@H](C(=O)c1ccccc1)N(C)C1CCC(CC#N)CC1 ZINC001173339346 1051698824 /nfs/dbraw/zinc/69/88/24/1051698824.db2.gz FVNYXIFXEDMORX-NKELODKYSA-N 0 3 312.457 4.442 20 30 DIEDHN N#CCC1CCC(N2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173338829 1051698954 /nfs/dbraw/zinc/69/89/54/1051698954.db2.gz JDCFJQHHIWFWNS-IUPXNIOVSA-N 0 3 318.461 4.388 20 30 DIEDHN C=C(CN[C@@H](C)c1ccnn1-c1ccccc1)c1ccccc1 ZINC000467335485 1051708114 /nfs/dbraw/zinc/70/81/14/1051708114.db2.gz KUIBTLGAVWZAAM-KRWDZBQOSA-N 0 3 303.409 4.236 20 30 DIEDHN CCC[C@H](C(=O)c1ccccc1)N(C)C1CCC(C)(C#N)CC1 ZINC001173601420 1051760231 /nfs/dbraw/zinc/76/02/31/1051760231.db2.gz SUENOTCYXLYIGO-QPIRBTGLSA-N 0 3 312.457 4.442 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847287 1051787156 /nfs/dbraw/zinc/78/71/56/1051787156.db2.gz QDILZDHAFKSWID-GWCFXTLKSA-N 0 3 314.763 4.113 20 30 DIEDHN FC(F)(F)C1CCC(C=Nn2cnnc2-c2ccccc2)CC1 ZINC000767361693 1051793694 /nfs/dbraw/zinc/79/36/94/1051793694.db2.gz QEHMCKLJMMAZFU-UHFFFAOYSA-N 0 3 322.334 4.148 20 30 DIEDHN C=CCC[C@H](C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000186636025 1051825442 /nfs/dbraw/zinc/82/54/42/1051825442.db2.gz ROKDBEZLZPAIIL-FQEVSTJZSA-N 0 3 322.452 4.437 20 30 DIEDHN CN(C)Cc1ccccc1Nc1cc(C(F)(F)F)ccc1C#N ZINC001173932676 1051904905 /nfs/dbraw/zinc/90/49/05/1051904905.db2.gz VXVBGZLFJBSHIE-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000768225261 1051904985 /nfs/dbraw/zinc/90/49/85/1051904985.db2.gz GDIUOKPNIUAUHA-QRWLVFNGSA-N 0 3 324.399 4.454 20 30 DIEDHN CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c([O-])c1 ZINC000768334222 1051919489 /nfs/dbraw/zinc/91/94/89/1051919489.db2.gz NXEYRVXSZJHART-UHFFFAOYSA-N 0 3 324.424 4.073 20 30 DIEDHN CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c([O-])c1 ZINC000768334222 1051919499 /nfs/dbraw/zinc/91/94/99/1051919499.db2.gz NXEYRVXSZJHART-UHFFFAOYSA-N 0 3 324.424 4.073 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)s1)Cc1ccc(N(C)C)cc1 ZINC000768352659 1051920749 /nfs/dbraw/zinc/92/07/49/1051920749.db2.gz QVQBNOCOHFLPLV-UHFFFAOYSA-N 0 3 313.470 4.096 20 30 DIEDHN CC(C)N(Cc1cc(C#N)cs1)Cc1ccc(N(C)C)cc1 ZINC000768358472 1051923094 /nfs/dbraw/zinc/92/30/94/1051923094.db2.gz WYKOWUBOZLVNID-UHFFFAOYSA-N 0 3 313.470 4.096 20 30 DIEDHN C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562931 1051978471 /nfs/dbraw/zinc/97/84/71/1051978471.db2.gz HPRXISNMFSBOSZ-ZFWWWQNUSA-N 0 3 315.417 4.141 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326787 1051992804 /nfs/dbraw/zinc/99/28/04/1051992804.db2.gz VTUOQZASPIJFON-BEFAXECRSA-N 0 3 324.424 4.399 20 30 DIEDHN N#CCc1cc(NC2=CCCN(Cc3ccccc3)C2)ccc1F ZINC001174394914 1052118331 /nfs/dbraw/zinc/11/83/31/1052118331.db2.gz VSQNAGJMZPDLOW-UHFFFAOYSA-N 0 3 321.399 4.093 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006599 1052140534 /nfs/dbraw/zinc/14/05/34/1052140534.db2.gz YNDIRZLFIIXILK-NRUUGDAUSA-N 0 3 311.212 4.099 20 30 DIEDHN C[Si](C)(C)C#C[C@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218214421 1052208096 /nfs/dbraw/zinc/20/80/96/1052208096.db2.gz NRLMDJGZCHMCMC-IBGZPJMESA-N 0 3 321.496 4.291 20 30 DIEDHN CC1(C)C[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])CC[NH2+]1 ZINC001218478478 1052244364 /nfs/dbraw/zinc/24/43/64/1052244364.db2.gz YVODSFCPBSOJEZ-YIRPMMGJSA-N 0 3 324.424 4.052 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc(COC(C)C)c1 ZINC001218971221 1052265365 /nfs/dbraw/zinc/26/53/65/1052265365.db2.gz YHAIJRZJLYMXGW-SFHVURJKSA-N 0 3 318.461 4.014 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC001219451144 1052288098 /nfs/dbraw/zinc/28/80/98/1052288098.db2.gz NHAPPSNHIVSUMS-KRWDZBQOSA-N 0 3 304.409 4.105 20 30 DIEDHN C[C@H](CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000231751235 1052288903 /nfs/dbraw/zinc/28/89/03/1052288903.db2.gz JDTMNUVNBJINBZ-SSDOTTSWSA-N 0 3 303.221 4.275 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)NCc1ccc(C)c2ccccc12 ZINC001220338684 1052330089 /nfs/dbraw/zinc/33/00/89/1052330089.db2.gz IMNYXNIJAAMKDF-FQEVSTJZSA-N 0 3 324.468 4.228 20 30 DIEDHN CC(C)[C@@H](C/N=C\c1cc(Cl)ccc1[O-])[NH+]1CCC(C)CC1 ZINC000915113549 1052351207 /nfs/dbraw/zinc/35/12/07/1052351207.db2.gz YJOCCSIEUJNEQP-LELXDKESSA-N 0 3 322.880 4.221 20 30 DIEDHN C=C[C@@H](O[C@@H]1CCN([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311173 1052587415 /nfs/dbraw/zinc/58/74/15/1052587415.db2.gz XXNFRWAPZZSINR-YVWKXTFCSA-N 0 3 308.425 4.161 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000068840196 1052764808 /nfs/dbraw/zinc/76/48/08/1052764808.db2.gz PASDBCKADXHRKZ-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000556295807 1052834954 /nfs/dbraw/zinc/83/49/54/1052834954.db2.gz SHKCGZMQWWGDQC-CYBMUJFWSA-N 0 3 314.816 4.461 20 30 DIEDHN C[C@H](NN=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000920386329 1052936905 /nfs/dbraw/zinc/93/69/05/1052936905.db2.gz XPZNHWWJOGQPBX-KRWDZBQOSA-N 0 3 307.441 4.362 20 30 DIEDHN N#CC(C(=O)CCC1CCC1)c1nc2ccccc2n1C(F)F ZINC000175119960 1052981247 /nfs/dbraw/zinc/98/12/47/1052981247.db2.gz UDJGVWFWTRVSOY-LBPRGKRZSA-N 0 3 317.339 4.188 20 30 DIEDHN COc1ccc2c(c1)CCCN([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000609823628 1052994117 /nfs/dbraw/zinc/99/41/17/1052994117.db2.gz YFQDFCMZIHYMOJ-HNNXBMFYSA-N 0 3 306.409 4.076 20 30 DIEDHN Cc1ccc(F)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179773306 1053026400 /nfs/dbraw/zinc/02/64/00/1053026400.db2.gz OMLQWKQKRCVSPC-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237840542 1053031599 /nfs/dbraw/zinc/03/15/99/1053031599.db2.gz QYWQKKOEWGPNOE-UHFFFAOYSA-N 0 3 319.326 4.007 20 30 DIEDHN C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000179888581 1053034857 /nfs/dbraw/zinc/03/48/57/1053034857.db2.gz HJBBTWANNFRKTC-ZDUSSCGKSA-N 0 3 319.326 4.113 20 30 DIEDHN CCCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 ZINC000616749725 1053070301 /nfs/dbraw/zinc/07/03/01/1053070301.db2.gz BIQLHZWIJRANDU-UHFFFAOYSA-N 0 3 312.388 4.118 20 30 DIEDHN CCN1CC[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228542044 1053129664 /nfs/dbraw/zinc/12/96/64/1053129664.db2.gz BZISNCAIFBCSKV-HYSAVQALSA-N 0 3 321.420 4.056 20 30 DIEDHN C[C@H](Cc1cccc(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000069285828 1053153876 /nfs/dbraw/zinc/15/38/76/1053153876.db2.gz ULRNSIOPLVHASK-IUODEOHRSA-N 0 3 322.339 4.022 20 30 DIEDHN COc1cc(C)c([C@H](C)NCc2cccc(OCC#N)c2)cc1C ZINC001320090610 1053305052 /nfs/dbraw/zinc/30/50/52/1053305052.db2.gz BXRAOABWFWGMEB-INIZCTEOSA-N 0 3 324.424 4.065 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569864 1053325159 /nfs/dbraw/zinc/32/51/59/1053325159.db2.gz AZFVXXXNSVINNV-BFUOFWGJSA-N 0 3 321.380 4.195 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591271 1053347055 /nfs/dbraw/zinc/34/70/55/1053347055.db2.gz DDNIRXVSFVJWNQ-APWZRJJASA-N 0 3 311.425 4.117 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591272 1053347087 /nfs/dbraw/zinc/34/70/87/1053347087.db2.gz DDNIRXVSFVJWNQ-LPHOPBHVSA-N 0 3 311.425 4.117 20 30 DIEDHN CCSc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741417 1053357097 /nfs/dbraw/zinc/35/70/97/1053357097.db2.gz FZBBGGRYYADBHO-IBGZPJMESA-N 0 3 308.450 4.447 20 30 DIEDHN CC(C)Oc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741174 1053358166 /nfs/dbraw/zinc/35/81/66/1053358166.db2.gz CYMWKTLCQGRTSD-FQEVSTJZSA-N 0 3 306.409 4.123 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001545710324 1053361776 /nfs/dbraw/zinc/36/17/76/1053361776.db2.gz XSBDZTUHXWLWDM-ULQDDVLXSA-N 0 3 308.510 4.115 20 30 DIEDHN CCc1nc(C)c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806346 1053369813 /nfs/dbraw/zinc/36/98/13/1053369813.db2.gz QSRYJLZQQUGOGK-MEDUHNTESA-N 0 3 311.454 4.224 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ccc(Cl)cc21 ZINC000618806145 1053372292 /nfs/dbraw/zinc/37/22/92/1053372292.db2.gz PPOBNGFWRYYIHJ-RTBURBONSA-N 0 3 308.812 4.476 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807184 1053372922 /nfs/dbraw/zinc/37/29/22/1053372922.db2.gz VHASFHIOBGGLNQ-KZULUSFZSA-N 0 3 310.372 4.044 20 30 DIEDHN Cc1c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807483 1053372954 /nfs/dbraw/zinc/37/29/54/1053372954.db2.gz ZXABXHVYMFKGSM-DJJJIMSYSA-N 0 3 322.456 4.156 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807186 1053373975 /nfs/dbraw/zinc/37/39/75/1053373975.db2.gz VHASFHIOBGGLNQ-XIKOKIGWSA-N 0 3 310.372 4.044 20 30 DIEDHN C=CCOc1ccccc1[C@H](C)Oc1ccccc1CN(C)C ZINC001229702940 1053388185 /nfs/dbraw/zinc/38/81/85/1053388185.db2.gz WSEXDNMKFVENLD-INIZCTEOSA-N 0 3 311.425 4.453 20 30 DIEDHN CCCN(Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000619069277 1053426037 /nfs/dbraw/zinc/42/60/37/1053426037.db2.gz RGUZGFONUNTXMJ-UHFFFAOYSA-N 0 3 303.409 4.452 20 30 DIEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287075 1053471932 /nfs/dbraw/zinc/47/19/32/1053471932.db2.gz YFILQPRYNQQWRL-WFASDCNBSA-N 0 3 310.363 4.260 20 30 DIEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287073 1053472566 /nfs/dbraw/zinc/47/25/66/1053472566.db2.gz YFILQPRYNQQWRL-SWLSCSKDSA-N 0 3 310.363 4.260 20 30 DIEDHN COc1cc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)ccc1C#N ZINC000619654383 1053524926 /nfs/dbraw/zinc/52/49/26/1053524926.db2.gz FKYOPBNEKDLZQY-ZUOKHONESA-N 0 3 324.399 4.119 20 30 DIEDHN CC(C)(C#N)CN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000619674755 1053528018 /nfs/dbraw/zinc/52/80/18/1053528018.db2.gz PVHHSKNHJICHGZ-HIFRSBDPSA-N 0 3 310.363 4.481 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1Cl ZINC000619755912 1053547142 /nfs/dbraw/zinc/54/71/42/1053547142.db2.gz YNTCSKYVJQAVKL-SFHVURJKSA-N 0 3 311.816 4.248 20 30 DIEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000619755837 1053547901 /nfs/dbraw/zinc/54/79/01/1053547901.db2.gz VSOHDQGIQUSLRH-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN N#Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1Cl ZINC000619755616 1053548998 /nfs/dbraw/zinc/54/89/98/1053548998.db2.gz NNFYUTUBGONWPZ-SFHVURJKSA-N 0 3 311.816 4.238 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1Cl ZINC000619746617 1053551463 /nfs/dbraw/zinc/55/14/63/1053551463.db2.gz CWKGXUVNCGHNCX-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1Cl ZINC000619746615 1053552105 /nfs/dbraw/zinc/55/21/05/1053552105.db2.gz CWKGXUVNCGHNCX-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCc3c2cccc3F)cc1Cl ZINC000619746774 1053554251 /nfs/dbraw/zinc/55/42/51/1053554251.db2.gz JYMCMTHIQSVGBO-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1Cl ZINC000619746775 1053554326 /nfs/dbraw/zinc/55/43/26/1053554326.db2.gz JYMCMTHIQSVGBO-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN Cc1cc(OCCC[C@@H](C)NCC2(C#N)CC2)ccc1Cl ZINC000619845915 1053565874 /nfs/dbraw/zinc/56/58/74/1053565874.db2.gz KJXOMDYQPIFHIK-CQSZACIVSA-N 0 3 306.837 4.089 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(C(F)F)c2)cc1 ZINC001324333641 1053644797 /nfs/dbraw/zinc/64/47/97/1053644797.db2.gz IWUSZZOGKJIBGU-ZDUSSCGKSA-N 0 3 316.351 4.205 20 30 DIEDHN C[C@@H](NCc1cccc(C(F)F)c1)c1ccc(OCC#N)cc1 ZINC001324337191 1053647015 /nfs/dbraw/zinc/64/70/15/1053647015.db2.gz YOULJNWFIBOGBY-CYBMUJFWSA-N 0 3 316.351 4.377 20 30 DIEDHN C=CC[C@H](NCc1cnc2c(F)cccc2c1)c1ccncc1 ZINC001200562553 1053765525 /nfs/dbraw/zinc/76/55/25/1053765525.db2.gz OTCPVHYWMUWTKN-SFHVURJKSA-N 0 3 307.372 4.176 20 30 DIEDHN COc1cc(C)c(CN2CCC[C@@H](C#N)CC2)cc1C(C)C ZINC001231627164 1053809048 /nfs/dbraw/zinc/80/90/48/1053809048.db2.gz XYVLVZPGSRCEHD-MRXNPFEDSA-N 0 3 300.446 4.253 20 30 DIEDHN COc1cc(C)c(CN2CCC[C@H](C#N)CC2)cc1C(C)C ZINC001231627163 1053809143 /nfs/dbraw/zinc/80/91/43/1053809143.db2.gz XYVLVZPGSRCEHD-INIZCTEOSA-N 0 3 300.446 4.253 20 30 DIEDHN COc1cc(C)c(CN2CCC(C)(C#N)CC2)cc1C(C)C ZINC001231628776 1053810619 /nfs/dbraw/zinc/81/06/19/1053810619.db2.gz KYIXTYDYFNOAEG-UHFFFAOYSA-N 0 3 300.446 4.253 20 30 DIEDHN C#Cc1cccc(CN(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001231662819 1053826568 /nfs/dbraw/zinc/82/65/68/1053826568.db2.gz IYLYPVWQBPQEFJ-UHFFFAOYSA-N 0 3 303.327 4.319 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3ccoc32)c1 ZINC001327944344 1053897506 /nfs/dbraw/zinc/89/75/06/1053897506.db2.gz DLFOBRBOYGKROU-GOSISDBHSA-N 0 3 320.392 4.404 20 30 DIEDHN COc1ccc([C@H](C)N(C)Cc2ccc(C#N)c(Cl)c2)cc1 ZINC001232115401 1053964715 /nfs/dbraw/zinc/96/47/15/1053964715.db2.gz NZUQADJIUQRNCC-ZDUSSCGKSA-N 0 3 314.816 4.413 20 30 DIEDHN C[C@@H](NCc1cccc(OCC#N)c1)c1cccc(C2CC2)c1 ZINC001330361249 1054034153 /nfs/dbraw/zinc/03/41/53/1054034153.db2.gz GRHCZMSZLWOTPV-OAHLLOKOSA-N 0 3 306.409 4.317 20 30 DIEDHN Cc1cccc(F)c1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001232485553 1054055748 /nfs/dbraw/zinc/05/57/48/1054055748.db2.gz ZADFBVLIVWABPV-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000848396666 1054068218 /nfs/dbraw/zinc/06/82/18/1054068218.db2.gz TWDGTPAZGULYDW-SFHVURJKSA-N 0 3 321.424 4.012 20 30 DIEDHN N#Cc1ccc(CN2CCC3(CCCc4ccccc43)CC2)s1 ZINC001232844395 1054130335 /nfs/dbraw/zinc/13/03/35/1054130335.db2.gz NPQQKJQKJFUHCC-UHFFFAOYSA-N 0 3 322.477 4.490 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000848535881 1054130816 /nfs/dbraw/zinc/13/08/16/1054130816.db2.gz HQTPZGPCGYMGKS-GOSISDBHSA-N 0 3 319.408 4.139 20 30 DIEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000848568660 1054155078 /nfs/dbraw/zinc/15/50/78/1054155078.db2.gz NOBJUFZLYNWUOE-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN Cc1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)c(C#N)c1 ZINC001232969282 1054161564 /nfs/dbraw/zinc/16/15/64/1054161564.db2.gz NPIQOWSYTZTAPZ-FQEVSTJZSA-N 0 3 308.400 4.213 20 30 DIEDHN Cc1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c(C#N)c1 ZINC001232969283 1054162336 /nfs/dbraw/zinc/16/23/36/1054162336.db2.gz NPIQOWSYTZTAPZ-HXUWFJFHSA-N 0 3 308.400 4.213 20 30 DIEDHN Cc1cc(CN2CCC(C#N)(c3ccccc3)CC2)sc1C ZINC001233656546 1054323414 /nfs/dbraw/zinc/32/34/14/1054323414.db2.gz YNZLJQKUFWHQSA-UHFFFAOYSA-N 0 3 310.466 4.422 20 30 DIEDHN C=CCC[C@H](NC[C@@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991350 1054374346 /nfs/dbraw/zinc/37/43/46/1054374346.db2.gz MKNSNKUBWONGGU-FUHWJXTLSA-N 0 3 303.377 4.403 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccccc1)C(C)(C)CO ZINC001341392970 1054386184 /nfs/dbraw/zinc/38/61/84/1054386184.db2.gz NTCOPVOXSVHLDY-FQEVSTJZSA-N 0 3 322.452 4.025 20 30 DIEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1-c1ccc(C)s1 ZINC001342356006 1054420534 /nfs/dbraw/zinc/42/05/34/1054420534.db2.gz XAANFVNBHBNGNS-HNNXBMFYSA-N 0 3 314.454 4.346 20 30 DIEDHN N#CC(C(=O)C[C@@H]1CC=CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369459 1054465731 /nfs/dbraw/zinc/46/57/31/1054465731.db2.gz WJXWNPQMAUTPES-NEPJUHHUSA-N 0 3 313.788 4.139 20 30 DIEDHN C=CCC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001446502044 1054536784 /nfs/dbraw/zinc/53/67/84/1054536784.db2.gz FZFKCMRHKVLTIM-PKOBYXMFSA-N 0 3 314.473 4.075 20 30 DIEDHN CC[C@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346765463 1054549699 /nfs/dbraw/zinc/54/96/99/1054549699.db2.gz WYDURGUYKAPYIW-IUODEOHRSA-N 0 3 314.335 4.120 20 30 DIEDHN CC[C@@H](CC(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346765464 1054549821 /nfs/dbraw/zinc/54/98/21/1054549821.db2.gz WYDURGUYKAPYIW-SWLSCSKDSA-N 0 3 314.335 4.120 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)c(C)c2)c1 ZINC000073012341 1054614047 /nfs/dbraw/zinc/61/40/47/1054614047.db2.gz CSMMGFOPKVCMRX-IBGZPJMESA-N 0 3 308.425 4.274 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)c(F)c2)c1 ZINC000073012338 1054614372 /nfs/dbraw/zinc/61/43/72/1054614372.db2.gz CUPQQXOZVNXDSH-QGZVFWFLSA-N 0 3 312.388 4.105 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C)c2C)c1 ZINC000073012119 1054615092 /nfs/dbraw/zinc/61/50/92/1054615092.db2.gz TUKYCWVPOBHKCG-IBGZPJMESA-N 0 3 308.425 4.274 20 30 DIEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1C)c1ccccc1 ZINC000180037411 1054728994 /nfs/dbraw/zinc/72/89/94/1054728994.db2.gz OCYKJWPDYSXJMW-IBGZPJMESA-N 0 3 308.425 4.231 20 30 DIEDHN C=CCC[C@@H](NCc1cc(C#N)ccc1OC)c1ccccc1 ZINC000180039015 1054730056 /nfs/dbraw/zinc/73/00/56/1054730056.db2.gz OLPOKSPBZUERHC-LJQANCHMSA-N 0 3 306.409 4.364 20 30 DIEDHN N#CCCN(Cc1ccccc1-c1ccncc1)C1CCCC1 ZINC001235619416 1054758044 /nfs/dbraw/zinc/75/80/44/1054758044.db2.gz STYSZOBCXSZQJI-UHFFFAOYSA-N 0 3 305.425 4.407 20 30 DIEDHN CC(C)(C)c1ccc(CN2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001235676435 1054770979 /nfs/dbraw/zinc/77/09/79/1054770979.db2.gz SLARZHWGEVSWOS-UHFFFAOYSA-N 0 3 320.436 4.120 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001454892767 1054786930 /nfs/dbraw/zinc/78/69/30/1054786930.db2.gz RWRHWBKIHGZEKP-JKIKYLSZSA-N 0 3 322.537 4.482 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001474153112 1054789803 /nfs/dbraw/zinc/78/98/03/1054789803.db2.gz VGZZDGJKCJUMPK-UHFFFAOYSA-N 0 3 307.290 4.116 20 30 DIEDHN C#CCN(Cc1ccc2c(c1)NCCC2)[C@@H]1CCc2ccccc21 ZINC001235834955 1054818189 /nfs/dbraw/zinc/81/81/89/1054818189.db2.gz QRPMQFMMTLGBGX-JOCHJYFZSA-N 0 3 316.448 4.167 20 30 DIEDHN C[C@H](NCCOC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623969228 1054842687 /nfs/dbraw/zinc/84/26/87/1054842687.db2.gz ZGYNZIFWDXKLRU-ZETCQYMHSA-N 0 3 319.220 4.032 20 30 DIEDHN Cc1ccc(C#N)nc1-c1cccc(CN2CCCCC2)c1F ZINC001236005954 1054890842 /nfs/dbraw/zinc/89/08/42/1054890842.db2.gz VSANZKSCFNHHNH-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN N#Cc1c(F)cccc1-c1cccc(CN2CCCCC2)c1F ZINC001236012713 1054896640 /nfs/dbraw/zinc/89/66/40/1054896640.db2.gz TYOADLJMCACKPG-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)nc1C#N ZINC001236233886 1055025452 /nfs/dbraw/zinc/02/54/52/1055025452.db2.gz VMFKFFBBXDOCCB-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN N#Cc1c(F)cccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236248198 1055032375 /nfs/dbraw/zinc/03/23/75/1055032375.db2.gz GIEBPWCZZANSCR-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN [O-]/N=C/c1cccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001236251562 1055035165 /nfs/dbraw/zinc/03/51/65/1055035165.db2.gz RAYRDGQLBVXYIT-FYJGNVAPSA-N 0 3 312.388 4.287 20 30 DIEDHN CC(C)=CCOc1ccc(CC[C@@H](C)NC[C@@H](C)C#N)cc1 ZINC000185574600 1055093827 /nfs/dbraw/zinc/09/38/27/1055093827.db2.gz VEPNCZZEBXKNDG-DLBZAZTESA-N 0 3 300.446 4.102 20 30 DIEDHN CC(C)C[NH2+]Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001236448477 1055119458 /nfs/dbraw/zinc/11/94/58/1055119458.db2.gz RVLLNGHIANLYLN-CIAFOILYSA-N 0 3 300.377 4.046 20 30 DIEDHN Cc1nccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C#N ZINC001236472804 1055132053 /nfs/dbraw/zinc/13/20/53/1055132053.db2.gz JEQQDBFCYNEAOA-MOPGFXCFSA-N 0 3 315.420 4.082 20 30 DIEDHN C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001536600537 1055138345 /nfs/dbraw/zinc/13/83/45/1055138345.db2.gz ZYOAEHYRQOVDRV-MOPGFXCFSA-N 0 3 314.473 4.073 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(C#N)cc2F)c1F ZINC001236534537 1055167037 /nfs/dbraw/zinc/16/70/37/1055167037.db2.gz HTBNUTXNBRYPQJ-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CCCCCCCN(CC)Cc1cccc(C(=O)OCC)n1 ZINC001236645716 1055211096 /nfs/dbraw/zinc/21/10/96/1055211096.db2.gz XKJZFZATYIVARW-UHFFFAOYSA-N 0 3 306.450 4.051 20 30 DIEDHN C=CCN(Cc1ccc(O)cc1OC(F)(F)F)C(C)(C)C ZINC001236733115 1055244029 /nfs/dbraw/zinc/24/40/29/1055244029.db2.gz ITYZDZVFKJUPFF-UHFFFAOYSA-N 0 3 303.324 4.077 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(O)cc1OC(F)(F)F ZINC001236733311 1055245567 /nfs/dbraw/zinc/24/55/67/1055245567.db2.gz KVFIATBGPILNKC-UHFFFAOYSA-N 0 3 303.324 4.079 20 30 DIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC(C)C)cc2)cc1 ZINC000764847164 1055269699 /nfs/dbraw/zinc/26/96/99/1055269699.db2.gz DEUOOWMWCJBLIP-KRWDZBQOSA-N 0 3 323.436 4.337 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3cccc(C)c3C)nc2)C1 ZINC001236988677 1055324556 /nfs/dbraw/zinc/32/45/56/1055324556.db2.gz JNNFOCLEEKJTMX-GOSISDBHSA-N 0 3 304.437 4.211 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OC(C)C)c2)cc1 ZINC000765094334 1055327545 /nfs/dbraw/zinc/32/75/45/1055327545.db2.gz DSYVHSNACLHYAO-QGZVFWFLSA-N 0 3 323.436 4.337 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CSCc3ccccc32)cc1 ZINC000765428751 1055388356 /nfs/dbraw/zinc/38/83/56/1055388356.db2.gz YRPZYNVWJNEDCH-FOIQADDNSA-N 0 3 323.461 4.337 20 30 DIEDHN C#Cc1ccc(CN2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)cc1 ZINC001237245871 1055406892 /nfs/dbraw/zinc/40/68/92/1055406892.db2.gz JTHLJDZLXUZOQK-UYAOXDASSA-N 0 3 322.839 4.105 20 30 DIEDHN CN(Cc1cc(C#N)c(F)cc1F)C(C)(C)Cc1ccccc1 ZINC001237531238 1055469145 /nfs/dbraw/zinc/46/91/45/1055469145.db2.gz XSRVNUBHIDNRBI-UHFFFAOYSA-N 0 3 314.379 4.290 20 30 DIEDHN CC(C)N(Cc1cn2cc(C#N)ccc2n1)[C@@H](C)c1ccccc1 ZINC001237610090 1055484906 /nfs/dbraw/zinc/48/49/06/1055484906.db2.gz HYFGXJDXAURYNW-INIZCTEOSA-N 0 3 318.424 4.178 20 30 DIEDHN C=C[C@@H](C)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC001620858013 1055486675 /nfs/dbraw/zinc/48/66/75/1055486675.db2.gz GXSQOJGHPQAPRE-SNVBAGLBSA-N 0 3 323.259 4.237 20 30 DIEDHN N#Cc1cc(Cl)cc(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC001237751679 1055523311 /nfs/dbraw/zinc/52/33/11/1055523311.db2.gz OOBRWSSGOQIPLU-MRXNPFEDSA-N 0 3 310.828 4.276 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(OC)c(OC)c1C(F)(F)F ZINC001237766928 1055525446 /nfs/dbraw/zinc/52/54/46/1055525446.db2.gz GRXWMKMVIQQRCA-UHFFFAOYSA-N 0 3 317.351 4.121 20 30 DIEDHN CN(CCc1ccccc1F)Cc1cc(Cl)cc(C#N)c1 ZINC001237755824 1055527107 /nfs/dbraw/zinc/52/71/07/1055527107.db2.gz UDJDOSYEBVEDRE-UHFFFAOYSA-N 0 3 302.780 4.025 20 30 DIEDHN C=CC(C)(C)CNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC001620938939 1055552854 /nfs/dbraw/zinc/55/28/54/1055552854.db2.gz QRVKKDPQLUAIKG-UHFFFAOYSA-N 0 3 317.864 4.195 20 30 DIEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c(Cl)c1 ZINC001238085253 1055603663 /nfs/dbraw/zinc/60/36/63/1055603663.db2.gz YZMRHXRFFQGVBK-IYBDPMFKSA-N 0 3 308.812 4.298 20 30 DIEDHN C=C(C)CN(CC)Cc1cc(C)cc(Br)c1OC ZINC001238319896 1055638595 /nfs/dbraw/zinc/63/85/95/1055638595.db2.gz CVYDLIKGEDTXSB-UHFFFAOYSA-N 0 3 312.251 4.164 20 30 DIEDHN COc1cc(CN(Cc2cccc(C)c2C)C2CC2)ccc1C#N ZINC001238414926 1055652791 /nfs/dbraw/zinc/65/27/91/1055652791.db2.gz CFAJGKAVCPMYEM-UHFFFAOYSA-N 0 3 320.436 4.348 20 30 DIEDHN CC[C@H]1c2ccccc2CCN1Cc1ccc(C#N)c(OC)c1 ZINC001238414883 1055653912 /nfs/dbraw/zinc/65/39/12/1055653912.db2.gz YPDYSCNJWZRCRY-IBGZPJMESA-N 0 3 306.409 4.076 20 30 DIEDHN Cc1cccc2c1OCC[C@@H]2NCc1c(C)cc(C#N)cc1C ZINC000921630873 1055684216 /nfs/dbraw/zinc/68/42/16/1055684216.db2.gz BIRZMDVMABRGIK-IBGZPJMESA-N 0 3 306.409 4.097 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OCCC)c(OCC)c2)c1 ZINC001620969066 1055732672 /nfs/dbraw/zinc/73/26/72/1055732672.db2.gz XRPGHNYUHDNKAE-UHFFFAOYSA-N 0 3 323.436 4.145 20 30 DIEDHN CCc1cc(CN2CCC3(CC(F)(F)C3)CC2)ccc1C#N ZINC001238759863 1055741715 /nfs/dbraw/zinc/74/17/15/1055741715.db2.gz BCXHISDQVHGTIU-UHFFFAOYSA-N 0 3 304.384 4.132 20 30 DIEDHN CCCCCCCCC/C=C\C(=O)N(C)[C@H]1CCCN(C)C1 ZINC001566161925 1055745426 /nfs/dbraw/zinc/74/54/26/1055745426.db2.gz XLHMBQGUKSRHQU-NZHZHZHDSA-N 0 3 308.510 4.236 20 30 DIEDHN CCc1cc(CN(C)Cc2cccc3cccnc32)ccc1C#N ZINC001238770316 1055747521 /nfs/dbraw/zinc/74/75/21/1055747521.db2.gz ARJWXQAQDGDPMZ-UHFFFAOYSA-N 0 3 315.420 4.301 20 30 DIEDHN C=CCCC[C@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001597536976 1055843456 /nfs/dbraw/zinc/84/34/56/1055843456.db2.gz CIZVGPNASZFBBN-KRWDZBQOSA-N 0 3 314.473 4.147 20 30 DIEDHN N#Cc1ccc(CNCc2cn(C(F)F)c3ccccc23)cc1 ZINC001621028681 1055992733 /nfs/dbraw/zinc/99/27/33/1055992733.db2.gz LYSPMOJSFCSLBG-UHFFFAOYSA-N 0 3 311.335 4.198 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CC=CCC1 ZINC001621033362 1055996302 /nfs/dbraw/zinc/99/63/02/1055996302.db2.gz ICHOLSNDQXPUOZ-HNNXBMFYSA-N 0 3 303.833 4.188 20 30 DIEDHN C=CCCC[C@H](NCc1c2c(nn1C)CCCC2)c1ccccc1 ZINC001621048462 1056009105 /nfs/dbraw/zinc/00/91/05/1056009105.db2.gz LWGKZMPQCZGBLX-IBGZPJMESA-N 0 3 323.484 4.486 20 30 DIEDHN CCCCCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001540762862 1056072726 /nfs/dbraw/zinc/07/27/26/1056072726.db2.gz LVLYIRGOQGTXOS-GOSISDBHSA-N 0 3 314.489 4.066 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F ZINC001240162246 1056358788 /nfs/dbraw/zinc/35/87/88/1056358788.db2.gz HOHVJAVLQAQZLU-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN N#Cc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1F ZINC001240162303 1056360952 /nfs/dbraw/zinc/36/09/52/1056360952.db2.gz KAGIQMSJHVVWHD-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CC(C)(C)[NH2+]Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001240376142 1056460414 /nfs/dbraw/zinc/46/04/14/1056460414.db2.gz GCDJTHQPVZJMKR-CIAFOILYSA-N 0 3 300.377 4.189 20 30 DIEDHN N#CCc1ccc(C2=CCCN(Cc3ccccc3)C2)c(F)c1 ZINC001240386927 1056468452 /nfs/dbraw/zinc/46/84/52/1056468452.db2.gz JAATXOYLAOXMDJ-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN CCS[C@@H]1CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001615477741 1056516730 /nfs/dbraw/zinc/51/67/30/1056516730.db2.gz QTKIHTOTQWRTQV-MRXNPFEDSA-N 0 3 308.878 4.319 20 30 DIEDHN C=C(C)CCN1CCC[C@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001616003667 1056605229 /nfs/dbraw/zinc/60/52/29/1056605229.db2.gz QZJWSKXLBXNFLD-SFHVURJKSA-N 0 3 311.429 4.188 20 30 DIEDHN Cc1cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)ccc1C#N ZINC000488974918 1056606153 /nfs/dbraw/zinc/60/61/53/1056606153.db2.gz WFPVYBMCUBDUKY-HNNXBMFYSA-N 0 3 310.363 4.277 20 30 DIEDHN C#CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)CC1CC1 ZINC001616403590 1056651613 /nfs/dbraw/zinc/65/16/13/1056651613.db2.gz STWJZEWIROCVTD-UHFFFAOYSA-N 0 3 301.739 4.204 20 30 DIEDHN COCC#CCN[C@H](CCCCc1ccccc1)c1ccccc1 ZINC001616616566 1056687374 /nfs/dbraw/zinc/68/73/74/1056687374.db2.gz REAYDICOGNXTMU-JOCHJYFZSA-N 0 3 321.464 4.380 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700615 1056704832 /nfs/dbraw/zinc/70/48/32/1056704832.db2.gz XCJJERGLRKHJOD-HZPDHXFCSA-N 0 3 303.446 4.327 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001616700476 1056704976 /nfs/dbraw/zinc/70/49/76/1056704976.db2.gz UUHOQBWNYXRCEF-HZPDHXFCSA-N 0 3 310.482 4.063 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700612 1056705403 /nfs/dbraw/zinc/70/54/03/1056705403.db2.gz XCJJERGLRKHJOD-CVEARBPZSA-N 0 3 303.446 4.327 20 30 DIEDHN C[C@H]1CCCC[C@H]1OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898685 1056735530 /nfs/dbraw/zinc/73/55/30/1056735530.db2.gz GOJWLPYZNTXMLE-LAUBAEHRSA-N 0 3 324.468 4.243 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC001617311308 1056808313 /nfs/dbraw/zinc/80/83/13/1056808313.db2.gz RMICZJMEMDSOLG-NHYWBVRUSA-N 0 3 312.226 4.431 20 30 DIEDHN N#CCCC[C@@H](NCc1cnn(C2CCC2)c1)c1ccccc1 ZINC000922144592 1056844652 /nfs/dbraw/zinc/84/46/52/1056844652.db2.gz GSGLEPZXVTZXBM-LJQANCHMSA-N 0 3 308.429 4.133 20 30 DIEDHN N#CCCC[C@H](NCc1ccnn1C1CCC1)c1ccccc1 ZINC000922145830 1056846835 /nfs/dbraw/zinc/84/68/35/1056846835.db2.gz WYLUHVVCZBVXNH-IBGZPJMESA-N 0 3 308.429 4.133 20 30 DIEDHN C=CC[C@@H]1N(CC(=O)Nc2cc(C)ccc2C)CCCC1(C)C ZINC001617603662 1056856247 /nfs/dbraw/zinc/85/62/47/1056856247.db2.gz BHBGMYBKPWLXIR-SFHVURJKSA-N 0 3 314.473 4.309 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000922158101 1056865621 /nfs/dbraw/zinc/86/56/21/1056865621.db2.gz ZQRCVBOBCMFWSM-DNVCBOLYSA-N 0 3 306.409 4.177 20 30 DIEDHN Cc1ccc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)c(C)c1 ZINC001617712367 1056872240 /nfs/dbraw/zinc/87/22/40/1056872240.db2.gz BNRHNFSFHDMNMB-LJQANCHMSA-N 0 3 307.412 4.284 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)CC#Cc1ccc(F)cc1 ZINC001617742134 1056875516 /nfs/dbraw/zinc/87/55/16/1056875516.db2.gz JOTKZHTZRFLFGB-FQEVSTJZSA-N 0 3 311.400 4.269 20 30 DIEDHN C[C@@H](NCc1ccc(F)c2cccnc12)c1ccc(C#N)cc1 ZINC001617881745 1056896333 /nfs/dbraw/zinc/89/63/33/1056896333.db2.gz KPCZGEVHYGFTIC-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN COc1ccc(CN(C)[C@H](C)c2cccc(Cl)c2)cc1C#N ZINC000316622076 1056987946 /nfs/dbraw/zinc/98/79/46/1056987946.db2.gz RUOWUXQTNWIHIS-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000093492382 1057038237 /nfs/dbraw/zinc/03/82/37/1057038237.db2.gz LIHATYCFTPUULJ-ZDUSSCGKSA-N 0 3 300.427 4.258 20 30 DIEDHN N#Cc1csc(CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000093757192 1057041245 /nfs/dbraw/zinc/04/12/45/1057041245.db2.gz ZYBRTGAJOFFEKF-CQSZACIVSA-N 0 3 314.479 4.234 20 30 DIEDHN C[C@H]1Cc2cc(CNCc3ccc(C(C)(C)C#N)cc3)ccc2O1 ZINC000922702000 1057049968 /nfs/dbraw/zinc/04/99/68/1057049968.db2.gz UDPZXQHUJOUZCI-HNNXBMFYSA-N 0 3 320.436 4.101 20 30 DIEDHN CN(Cc1ccc(C#N)cc1Br)C1(C)CCCC1 ZINC000489873171 1057104364 /nfs/dbraw/zinc/10/43/64/1057104364.db2.gz NIXCKOPMTHZKCN-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN C=CC[C@@H](N[C@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018246 1057109313 /nfs/dbraw/zinc/10/93/13/1057109313.db2.gz GUWCEDNLYLHDAC-CABCVRRESA-N 0 3 313.470 4.385 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)c1ccncc1 ZINC000766021579 1057120905 /nfs/dbraw/zinc/12/09/05/1057120905.db2.gz UPHHCTNMRGLHCN-RDTXWAMCSA-N 0 3 313.420 4.255 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023025 1057123509 /nfs/dbraw/zinc/12/35/09/1057123509.db2.gz ZMJNRWHCPSPEHT-YOEHRIQHSA-N 0 3 311.385 4.266 20 30 DIEDHN COc1cccc(-c2ccc(F)c(CN3CCCCC3)c2)c1C#N ZINC001242298487 1057326093 /nfs/dbraw/zinc/32/60/93/1057326093.db2.gz AWGILEVUFHDOBI-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000174431419 1057361718 /nfs/dbraw/zinc/36/17/18/1057361718.db2.gz SGCCCVBEALDJMD-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN N#Cc1cc(Cl)cc(-c2cncc(CN3CCCCC3)c2)c1 ZINC001242570042 1057408551 /nfs/dbraw/zinc/40/85/51/1057408551.db2.gz BYXSRFAOZKPWCY-UHFFFAOYSA-N 0 3 311.816 4.260 20 30 DIEDHN N#Cc1cc(F)ccc1-c1ccc(F)c(CN2CCCCC2)c1 ZINC001242584320 1057415397 /nfs/dbraw/zinc/41/53/97/1057415397.db2.gz RJRVDIYBFOZSCT-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN COc1cccc(CN(Cc2ccc(C#N)s2)CC(C)C)c1 ZINC000611257865 1057586807 /nfs/dbraw/zinc/58/68/07/1057586807.db2.gz JIKBVEHLROBAQG-UHFFFAOYSA-N 0 3 314.454 4.287 20 30 DIEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCOc2ccccc21 ZINC000611268800 1057586857 /nfs/dbraw/zinc/58/68/57/1057586857.db2.gz DKRITHVZIXCTKB-KRWDZBQOSA-N 0 3 300.446 4.205 20 30 DIEDHN N#Cc1cc(CN[C@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000611382713 1057593112 /nfs/dbraw/zinc/59/31/12/1057593112.db2.gz NETAPCZHNWKALW-IBGZPJMESA-N 0 3 309.388 4.113 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1nccc2ccccc21 ZINC000611392351 1057595571 /nfs/dbraw/zinc/59/55/71/1057595571.db2.gz MXEKGEJWEJXLJA-FQEVSTJZSA-N 0 3 313.404 4.274 20 30 DIEDHN N#Cc1cc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)ccn1 ZINC000611391518 1057595707 /nfs/dbraw/zinc/59/57/07/1057595707.db2.gz KIHQOUVVCQSWRN-SFHVURJKSA-N 0 3 311.816 4.238 20 30 DIEDHN CCc1cnccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395089 1057596276 /nfs/dbraw/zinc/59/62/76/1057596276.db2.gz LGHWDWNSCPYXNM-JLTOFOAXSA-N 0 3 305.425 4.244 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000611395271 1057596750 /nfs/dbraw/zinc/59/67/50/1057596750.db2.gz ZNGXGZMWALMOSM-WOJBJXKFSA-N 0 3 303.409 4.072 20 30 DIEDHN N#Cc1cc(CNC2(c3cccc(Cl)c3)CCCC2)ccn1 ZINC000611402851 1057597447 /nfs/dbraw/zinc/59/74/47/1057597447.db2.gz ISJZYWGGOARVEK-UHFFFAOYSA-N 0 3 311.816 4.166 20 30 DIEDHN CC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000611433773 1057599148 /nfs/dbraw/zinc/59/91/48/1057599148.db2.gz SKFMNCNHEFMSJL-QGZVFWFLSA-N 0 3 324.428 4.057 20 30 DIEDHN CCN(Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC000611500478 1057603802 /nfs/dbraw/zinc/60/38/02/1057603802.db2.gz BOMWCBHEOJETQE-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN CCN(CC)Cc1ccc(-c2ccccc2OCC#N)cc1F ZINC001243586971 1057725343 /nfs/dbraw/zinc/72/53/43/1057725343.db2.gz QGDLUMRMECONJE-UHFFFAOYSA-N 0 3 312.388 4.237 20 30 DIEDHN N#CCOc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000731210410 1057737552 /nfs/dbraw/zinc/73/75/52/1057737552.db2.gz LQPLEILTNIMPRO-UHFFFAOYSA-N 0 3 322.383 4.017 20 30 DIEDHN COc1ccc(C2=CC[C@@H](C#N)CC2)cc1CN1CCCCC1 ZINC001243799370 1057781957 /nfs/dbraw/zinc/78/19/57/1057781957.db2.gz YAQMRLOAVWOJKS-MRXNPFEDSA-N 0 3 310.441 4.388 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1Cl ZINC000732916359 1057790439 /nfs/dbraw/zinc/79/04/39/1057790439.db2.gz UDJSCDKVBFNOEN-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN C#CCOc1ccc(CNCc2cccc(OCCCC)c2)cc1 ZINC000733324623 1057813087 /nfs/dbraw/zinc/81/30/87/1057813087.db2.gz OIKGNUJGTQOFCT-UHFFFAOYSA-N 0 3 323.436 4.167 20 30 DIEDHN CCN(CC)Cc1cc(-c2ccc(OC)c(C#N)c2)ccc1F ZINC001244710829 1058033162 /nfs/dbraw/zinc/03/31/62/1058033162.db2.gz OGWRTIAUSFURNZ-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cccc(C#N)c3F)c(C)c2)CC1 ZINC001245066080 1058105864 /nfs/dbraw/zinc/10/58/64/1058105864.db2.gz UYZDIVNMKUEZMD-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN CCN(CC)Cc1cccc(-c2cccc(C#N)c2F)c1F ZINC001245072109 1058107242 /nfs/dbraw/zinc/10/72/42/1058107242.db2.gz CWIDOIBSYUHDEP-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN CC(C)[C@H](C#N)c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001245426010 1058164810 /nfs/dbraw/zinc/16/48/10/1058164810.db2.gz LQPILRJTEVPKCE-RTWAWAEBSA-N 0 3 324.468 4.218 20 30 DIEDHN N#CC(C(=O)CC1CCCCC1)c1nccn1Cc1ccccc1 ZINC001516637383 1058184905 /nfs/dbraw/zinc/18/49/05/1058184905.db2.gz MUGKVGMMMIFGRO-GOSISDBHSA-N 0 3 321.424 4.078 20 30 DIEDHN CCCCCCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC001530061219 1058924728 /nfs/dbraw/zinc/92/47/28/1058924728.db2.gz QZKFJIHRPPSEQB-SFHVURJKSA-N 0 3 316.489 4.257 20 30 DIEDHN CN(C)[C@H](CNc1cc(F)ccc1C#N)c1ccc(Cl)cc1 ZINC001559123627 1059010847 /nfs/dbraw/zinc/01/08/47/1059010847.db2.gz JFDCDSFOPKDWNV-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN C=CCN(CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC001559493019 1059269410 /nfs/dbraw/zinc/26/94/10/1059269410.db2.gz MOLLOIYKKQHUSO-PXNSSMCTSA-N 0 3 317.473 4.279 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](OC)C1CCCCC1 ZINC001559493152 1059270058 /nfs/dbraw/zinc/27/00/58/1059270058.db2.gz QFFHSQUZAHCVEJ-FQEVSTJZSA-N 0 3 317.473 4.279 20 30 DIEDHN C=CCCCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001559635097 1059461453 /nfs/dbraw/zinc/46/14/53/1059461453.db2.gz KMXNGVDUCOXBOH-SFHVURJKSA-N 0 3 303.446 4.120 20 30 DIEDHN C=CCCCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001559635097 1059461458 /nfs/dbraw/zinc/46/14/58/1059461458.db2.gz KMXNGVDUCOXBOH-SFHVURJKSA-N 0 3 303.446 4.120 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](CCCc3ccccc3)C2)o1 ZINC001559662094 1059493252 /nfs/dbraw/zinc/49/32/52/1059493252.db2.gz PFIDZLQXSWBICB-GOSISDBHSA-N 0 3 308.425 4.386 20 30 DIEDHN C=CCN(Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC001559676633 1059501099 /nfs/dbraw/zinc/50/10/99/1059501099.db2.gz NCPQTNYAPRIFPY-UHFFFAOYSA-N 0 3 300.627 4.253 20 30 DIEDHN CCOc1ccccc1[C@@H](CC(C)C)NCC1(CC#N)CC1 ZINC001559680524 1059509800 /nfs/dbraw/zinc/50/98/00/1059509800.db2.gz CHLALJQTFKIYDF-QGZVFWFLSA-N 0 3 300.446 4.456 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(Cl)c1 ZINC001559689574 1059520215 /nfs/dbraw/zinc/52/02/15/1059520215.db2.gz RVBRLKMKGDPMIQ-UHFFFAOYSA-N 0 3 305.805 4.172 20 30 DIEDHN N#Cc1ccc(C2=CCN(CCc3cccc(F)c3)CC2)cc1 ZINC001559715135 1059544111 /nfs/dbraw/zinc/54/41/11/1059544111.db2.gz RUZVEXUTUMZHAO-UHFFFAOYSA-N 0 3 306.384 4.029 20 30 DIEDHN C=C(C)[C@H](NC[C@@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767130 1059604226 /nfs/dbraw/zinc/60/42/26/1059604226.db2.gz SWRNEPBRMLOGLG-MOPGFXCFSA-N 0 3 317.379 4.214 20 30 DIEDHN CCCCCCCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001559788068 1059621934 /nfs/dbraw/zinc/62/19/34/1059621934.db2.gz UDTWMLALSOLPQW-UHFFFAOYSA-N 0 3 322.468 4.317 20 30 DIEDHN C#CCn1ccc(CN(CC)CC2CCC(C(C)(C)C)CC2)n1 ZINC001559804527 1059639712 /nfs/dbraw/zinc/63/97/12/1059639712.db2.gz OFXFAGOURQQBPY-UHFFFAOYSA-N 0 3 315.505 4.191 20 30 DIEDHN CCC1(CC)[C@H](NCc2ccc(Cl)cc2C#N)[C@@H](C)[C@H]1OC ZINC001559811012 1059646813 /nfs/dbraw/zinc/64/68/13/1059646813.db2.gz BRIPWDFODXFEGL-CSMYWGQOSA-N 0 3 320.864 4.141 20 30 DIEDHN CCCCCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001559873404 1059693173 /nfs/dbraw/zinc/69/31/73/1059693173.db2.gz QLMVUWRPTJXXMN-OALUTQOASA-N 0 3 307.453 4.147 20 30 DIEDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879676 1059699381 /nfs/dbraw/zinc/69/93/81/1059699381.db2.gz OTARGGYTCHLLAH-BBRMVZONSA-N 0 3 315.417 4.113 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(CF)cc2)s1 ZINC001525423117 1059878702 /nfs/dbraw/zinc/87/87/02/1059878702.db2.gz IHZNXSIJIZTJHY-CYBMUJFWSA-N 0 3 316.401 4.400 20 30 DIEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001560133408 1059933506 /nfs/dbraw/zinc/93/35/06/1059933506.db2.gz XKKLWICUCSVZNN-FOIQADDNSA-N 0 3 306.409 4.150 20 30 DIEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001560133410 1059933991 /nfs/dbraw/zinc/93/39/91/1059933991.db2.gz XKKLWICUCSVZNN-QRWLVFNGSA-N 0 3 306.409 4.150 20 30 DIEDHN C=CCC1(O)CCN(Cc2ccc(Cl)c3ccccc23)CC1 ZINC001560155943 1059948772 /nfs/dbraw/zinc/94/87/72/1059948772.db2.gz YNAMPHVPUHFMDZ-UHFFFAOYSA-N 0 3 315.844 4.396 20 30 DIEDHN CCc1cc(C#N)ccc1CN(CC)Cc1cccc(OC)c1 ZINC001248751857 1059963554 /nfs/dbraw/zinc/96/35/54/1059963554.db2.gz MZOXNXUMQNEVIC-UHFFFAOYSA-N 0 3 308.425 4.151 20 30 DIEDHN C=CCN(Cc1ccnc(SC(C)C)n1)C1CCCCC1 ZINC001248833347 1060007617 /nfs/dbraw/zinc/00/76/17/1060007617.db2.gz BENYNKQJUQXGAA-UHFFFAOYSA-N 0 3 305.491 4.298 20 30 DIEDHN C=CC[C@H](NCc1cccc(OC(F)F)c1)c1ccncc1 ZINC001560338769 1060125277 /nfs/dbraw/zinc/12/52/77/1060125277.db2.gz METVNYUGSAGFMN-INIZCTEOSA-N 0 3 304.340 4.090 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC4(CC(F)(F)C4)CC3)[nH]c2c1 ZINC001249426693 1060246495 /nfs/dbraw/zinc/24/64/95/1060246495.db2.gz CHQAYROGFYAXDO-UHFFFAOYSA-N 0 3 315.367 4.051 20 30 DIEDHN C=CCC[C@H](CO)NCc1c(Cl)cccc1SC(C)C ZINC001560471511 1060262019 /nfs/dbraw/zinc/26/20/19/1060262019.db2.gz QTMVUHQACSAOPJ-CYBMUJFWSA-N 0 3 313.894 4.257 20 30 DIEDHN N#CCC1CCN(Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249503716 1060266180 /nfs/dbraw/zinc/26/61/80/1060266180.db2.gz DDYGKQHOQXKUTQ-UHFFFAOYSA-N 0 3 322.408 4.310 20 30 DIEDHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cc(C#N)ccc1Br ZINC001560525057 1060327164 /nfs/dbraw/zinc/32/71/64/1060327164.db2.gz LTQDKQYYYYEUEV-SWLSCSKDSA-N 0 3 321.262 4.235 20 30 DIEDHN CC1(c2cccc(Br)c2)CCC(NCCC#N)CC1 ZINC001560616894 1060429247 /nfs/dbraw/zinc/42/92/47/1060429247.db2.gz VCQKBPPWFMIHBZ-UHFFFAOYSA-N 0 3 321.262 4.153 20 30 DIEDHN C=CC1CCN(Cc2cn(-c3ccccc3Cl)nc2C)CC1 ZINC001560629071 1060440944 /nfs/dbraw/zinc/44/09/44/1060440944.db2.gz DFBNYSKSBZDAMN-UHFFFAOYSA-N 0 3 315.848 4.232 20 30 DIEDHN C#CCN(Cc1ccc(N(C)C)cc1C)[C@H]1CCc2ccccc21 ZINC001560701480 1060558938 /nfs/dbraw/zinc/55/89/38/1060558938.db2.gz NLWVJFLWLDFORW-QFIPXVFZSA-N 0 3 318.464 4.184 20 30 DIEDHN N#Cc1cccc(Cc2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001250050793 1060568499 /nfs/dbraw/zinc/56/84/99/1060568499.db2.gz KMCGAXWAJOYIKA-UHFFFAOYSA-N 0 3 308.400 4.274 20 30 DIEDHN C#C[C@@H](NCc1cc2cc(Br)ccc2o1)C(C)(C)C ZINC001560863591 1060722766 /nfs/dbraw/zinc/72/27/66/1060722766.db2.gz XNHPZDKLGQLBEU-OAHLLOKOSA-N 0 3 320.230 4.333 20 30 DIEDHN CCSc1ccccc1CCNCc1cccc(F)c1C#N ZINC001561000853 1060861760 /nfs/dbraw/zinc/86/17/60/1060861760.db2.gz DSEGXSQYCKVEHY-UHFFFAOYSA-N 0 3 314.429 4.142 20 30 DIEDHN C#CCC1([NH2+]Cc2cc(Cl)c([O-])c(OCC)c2)CCCCC1 ZINC001561020518 1060876862 /nfs/dbraw/zinc/87/68/62/1060876862.db2.gz JQANAXXDXJPXSS-UHFFFAOYSA-N 0 3 321.848 4.260 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCc2ccccc2[C@H]1C(C)C ZINC001473221611 1061001112 /nfs/dbraw/zinc/00/11/12/1061001112.db2.gz BBRDODYJQDUWDC-OAQYLSRUSA-N 0 3 320.436 4.322 20 30 DIEDHN C#C[C@H](N[C@@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275716 1061069215 /nfs/dbraw/zinc/06/92/15/1061069215.db2.gz HBLKGJQMWPYNIO-QUCCMNQESA-N 0 3 323.411 4.046 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1Cc2ccccc2C(C)(C)C1 ZINC001473344504 1061101806 /nfs/dbraw/zinc/10/18/06/1061101806.db2.gz RPJHCAPGEMKSNK-UHFFFAOYSA-N 0 3 304.437 4.469 20 30 DIEDHN C=C(CC)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001473372626 1061119355 /nfs/dbraw/zinc/11/93/55/1061119355.db2.gz BBEDQTRLWIQIEQ-LJQANCHMSA-N 0 3 323.415 4.473 20 30 DIEDHN C=C(Br)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001473452106 1061167142 /nfs/dbraw/zinc/16/71/42/1061167142.db2.gz KIBHDEYULXGYOJ-OAGGEKHMSA-N 0 3 306.247 4.163 20 30 DIEDHN C#CCN(CCc1c(F)cccc1Cl)Cc1ccccc1 ZINC001473454564 1061169581 /nfs/dbraw/zinc/16/95/81/1061169581.db2.gz SCBOMWKENCGSPY-UHFFFAOYSA-N 0 3 301.792 4.157 20 30 DIEDHN CCCCCCCCCN1CCN(c2ccnc(F)c2)CC1 ZINC001473490997 1061188664 /nfs/dbraw/zinc/18/86/64/1061188664.db2.gz QDUCDVGQZQHOMO-UHFFFAOYSA-N 0 3 307.457 4.093 20 30 DIEDHN CCc1ccc(C2CCN(CC#Cc3ccccc3)CC2)cc1 ZINC001462479729 1061201292 /nfs/dbraw/zinc/20/12/92/1061201292.db2.gz NMCMONFYCLXQFV-UHFFFAOYSA-N 0 3 303.449 4.480 20 30 DIEDHN CCCCCCCCC(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001455686522 1061232409 /nfs/dbraw/zinc/23/24/09/1061232409.db2.gz FLDRMTWEHVAENH-QGZVFWFLSA-N 0 3 308.510 4.212 20 30 DIEDHN CC(C)Oc1cc(Cl)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC001462543374 1061251325 /nfs/dbraw/zinc/25/13/25/1061251325.db2.gz CRHRSCFZBPYMCZ-BBRMVZONSA-N 0 3 306.837 4.299 20 30 DIEDHN N#Cc1c(F)cccc1CNCC1(c2cccc(F)c2)CCC1 ZINC001462564839 1061264227 /nfs/dbraw/zinc/26/42/27/1061264227.db2.gz LNJJDJQVSZSELJ-UHFFFAOYSA-N 0 3 312.363 4.048 20 30 DIEDHN C=CC[C@@H]1CCCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC001473627957 1061299437 /nfs/dbraw/zinc/29/94/37/1061299437.db2.gz VYORFEAGCNFYGP-KFWWJZLASA-N 0 3 317.395 4.212 20 30 DIEDHN C#CC[C@H]1CCN(Cc2oc3ccccc3c2Br)C1 ZINC001473788860 1061408492 /nfs/dbraw/zinc/40/84/92/1061408492.db2.gz WGJKTZLZPHQUIK-LBPRGKRZSA-N 0 3 318.214 4.041 20 30 DIEDHN CC1(C)CCCC[C@@H]1CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838647 1061428400 /nfs/dbraw/zinc/42/84/00/1061428400.db2.gz JMLWVWLWKWSJCI-MOPGFXCFSA-N 0 3 312.457 4.148 20 30 DIEDHN CC1(C)CCCC[C@H]1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838651 1061428564 /nfs/dbraw/zinc/42/85/64/1061428564.db2.gz JMLWVWLWKWSJCI-RBUKOAKNSA-N 0 3 312.457 4.148 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473855562 1061434649 /nfs/dbraw/zinc/43/46/49/1061434649.db2.gz WAJFTJODWKXUPC-OAHLLOKOSA-N 0 3 317.820 4.321 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC001473857138 1061436137 /nfs/dbraw/zinc/43/61/37/1061436137.db2.gz FGOIXOZNOQSTGC-MRXNPFEDSA-N 0 3 304.821 4.173 20 30 DIEDHN C=CCOc1cccc(CNCc2cccc(OC(C)C)c2)c1 ZINC001473938728 1061483926 /nfs/dbraw/zinc/48/39/26/1061483926.db2.gz CVHKMWNSCPMLQB-UHFFFAOYSA-N 0 3 311.425 4.328 20 30 DIEDHN C=CC[C@H](NCc1ccc(OCC(F)F)cc1)c1ccncc1 ZINC001474007736 1061550270 /nfs/dbraw/zinc/55/02/70/1061550270.db2.gz NNKYCOOLFNWBBF-KRWDZBQOSA-N 0 3 318.367 4.133 20 30 DIEDHN CCCCCCCC[C@H](O)CN[C@@H](C)c1nc2ccccc2[nH]1 ZINC001252131432 1061588947 /nfs/dbraw/zinc/58/89/47/1061588947.db2.gz NPDCYLHECWXMDJ-HOTGVXAUSA-N 0 3 317.477 4.325 20 30 DIEDHN CCCCCCCC[C@H](O)CN1CCc2nc[nH]c2[C@@H]1C(C)C ZINC001252132175 1061591641 /nfs/dbraw/zinc/59/16/41/1061591641.db2.gz BCHJZVFNQGVASA-LPHOPBHVSA-N 0 3 321.509 4.076 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1ccc2ccccc2n1 ZINC001252135629 1061594657 /nfs/dbraw/zinc/59/46/57/1061594657.db2.gz GOGVHBUDHWPALN-IBGZPJMESA-N 0 3 314.473 4.436 20 30 DIEDHN CCCCCCCC[C@H](O)CN[C@@H](c1ccc(F)cn1)C1CC1 ZINC001252139724 1061597685 /nfs/dbraw/zinc/59/76/85/1061597685.db2.gz QZNRQOSAIKFXFX-PKOBYXMFSA-N 0 3 322.468 4.373 20 30 DIEDHN CCCCCCCC[C@H](O)CN[C@@H](c1cccnc1F)C1CC1 ZINC001252139567 1061598582 /nfs/dbraw/zinc/59/85/82/1061598582.db2.gz PMEYUTDNYAUZSP-FUHWJXTLSA-N 0 3 322.468 4.373 20 30 DIEDHN CCCCCCCC[C@@H](O)CNCc1cnc(C(C)C)s1 ZINC001252140274 1061599835 /nfs/dbraw/zinc/59/98/35/1061599835.db2.gz OOITUGLVXMNDQG-OAHLLOKOSA-N 0 3 312.523 4.468 20 30 DIEDHN C=CCC[C@H](O)CNC(C)(C)c1ccc(Cl)cc1Cl ZINC001252617829 1061678790 /nfs/dbraw/zinc/67/87/90/1061678790.db2.gz LJFFXKYMQSBUGG-LBPRGKRZSA-N 0 3 302.245 4.145 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(OCCCC)cc2)cc1 ZINC001474151257 1061694866 /nfs/dbraw/zinc/69/48/66/1061694866.db2.gz LTSPWCDSZVVVIA-UHFFFAOYSA-N 0 3 323.436 4.167 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2c(F)cccc2F)o1 ZINC001474153502 1061696198 /nfs/dbraw/zinc/69/61/98/1061696198.db2.gz MGIBLJXFNJPOFI-CVEARBPZSA-N 0 3 319.351 4.048 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cccc(C)n1 ZINC001252979397 1061769570 /nfs/dbraw/zinc/76/95/70/1061769570.db2.gz BYPGMWKRCHLKGH-LJQANCHMSA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@H](O)CN1CC(N2CCCCC2)C1 ZINC001252984062 1061777279 /nfs/dbraw/zinc/77/72/79/1061777279.db2.gz CQSSFSPLOKHKAU-FQEVSTJZSA-N 0 3 324.553 4.048 20 30 DIEDHN C#CC1(NCc2ccc(Br)cc2SC)CCCC1 ZINC001474246894 1061812135 /nfs/dbraw/zinc/81/21/35/1061812135.db2.gz JYGMRNHKCCGIPY-UHFFFAOYSA-N 0 3 324.287 4.207 20 30 DIEDHN CSc1ccc(CNCc2cc(C)c(C)cc2C)cc1C#N ZINC001474265828 1061832237 /nfs/dbraw/zinc/83/22/37/1061832237.db2.gz HXFLHLQKTCXHDK-UHFFFAOYSA-N 0 3 310.466 4.495 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN(C)Cc1ccccc1OC ZINC001253238276 1061838449 /nfs/dbraw/zinc/83/84/49/1061838449.db2.gz BTKLVXDDEKQKTR-GOSISDBHSA-N 0 3 305.462 4.015 20 30 DIEDHN C=CCCCCCC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC001253238336 1061839333 /nfs/dbraw/zinc/83/93/33/1061839333.db2.gz CZRHGFAWRCYZNV-GJZGRUSLSA-N 0 3 307.400 4.148 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1cc2ccccc2cn1 ZINC001253250338 1061853744 /nfs/dbraw/zinc/85/37/44/1061853744.db2.gz XHZAYZPGCSYWAJ-FQEVSTJZSA-N 0 3 312.457 4.212 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNC1(c2ccccc2F)CC1 ZINC001253252724 1061854307 /nfs/dbraw/zinc/85/43/07/1061854307.db2.gz ZXGTYPRBJVGYBL-MRXNPFEDSA-N 0 3 305.437 4.292 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H]1CCOc2cc(F)ccc21 ZINC001253255272 1061857169 /nfs/dbraw/zinc/85/71/69/1061857169.db2.gz HUQRSGZWQOISLG-FUHWJXTLSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H](c1ccc(F)cn1)C1CC1 ZINC001253255195 1061857357 /nfs/dbraw/zinc/85/73/57/1061857357.db2.gz XQUGCZXLTRYQEY-PKOBYXMFSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H]1CCOc2cc(F)ccc21 ZINC001253255275 1061857608 /nfs/dbraw/zinc/85/76/08/1061857608.db2.gz HUQRSGZWQOISLG-WMZOPIPTSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@H](O)CNCc1ccc(C(F)(F)F)o1 ZINC001253257074 1061861697 /nfs/dbraw/zinc/86/16/97/1061861697.db2.gz LTVJECQPUXWWSG-ZDUSSCGKSA-N 0 3 319.367 4.276 20 30 DIEDHN CCCCCCCCCCCC[C@@H](O)CNCc1ccnnc1 ZINC001253565581 1061931946 /nfs/dbraw/zinc/93/19/46/1061931946.db2.gz QAXLNOXLDDNQFM-LJQANCHMSA-N 0 3 321.509 4.238 20 30 DIEDHN C=CCN(Cc1ccc(Br)nc1)CC1CCCCC1 ZINC001474387125 1062036957 /nfs/dbraw/zinc/03/69/57/1062036957.db2.gz WDIXVBQCJWRGQB-UHFFFAOYSA-N 0 3 323.278 4.412 20 30 DIEDHN N#CCC1(CN(Cc2cccc(Br)c2)C2CC2)CC1 ZINC001459382325 1062120965 /nfs/dbraw/zinc/12/09/65/1062120965.db2.gz BZXFOQNEMKTVBS-UHFFFAOYSA-N 0 3 319.246 4.107 20 30 DIEDHN N#Cc1c(F)cccc1CNCCCCCc1ccc(F)cc1 ZINC001474461918 1062140240 /nfs/dbraw/zinc/14/02/40/1062140240.db2.gz XPLAUJWHWFVJMU-UHFFFAOYSA-N 0 3 314.379 4.339 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643941 1062213776 /nfs/dbraw/zinc/21/37/76/1062213776.db2.gz OWGOZCXWKLDMTM-RHSMWYFYSA-N 0 3 310.372 4.400 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668624 1062221506 /nfs/dbraw/zinc/22/15/06/1062221506.db2.gz GXCMQHBRTASVPF-XBFCOCLRSA-N 0 3 309.240 4.475 20 30 DIEDHN C#C[C@H](N[C@@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558334 1062260271 /nfs/dbraw/zinc/26/02/71/1062260271.db2.gz ZXAFXVGXALONLM-UGSOOPFHSA-N 0 3 301.792 4.374 20 30 DIEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614671 1062336282 /nfs/dbraw/zinc/33/62/82/1062336282.db2.gz YVQUSBRFWZLLGQ-DOMZBBRYSA-N 0 3 304.409 4.346 20 30 DIEDHN CC[C@H](CC#N)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001255160872 1062345132 /nfs/dbraw/zinc/34/51/32/1062345132.db2.gz RGOCXSVGARGCIT-MRXNPFEDSA-N 0 3 306.400 4.459 20 30 DIEDHN CC[C@H](CC#N)NC1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001255162754 1062348926 /nfs/dbraw/zinc/34/89/26/1062348926.db2.gz YCMJTWDWGDVMMK-OAHLLOKOSA-N 0 3 310.363 4.452 20 30 DIEDHN CC(C)(C)O[C@@H]1C[C@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC001474631672 1062353923 /nfs/dbraw/zinc/35/39/23/1062353923.db2.gz MZRVOYKHDLTYOD-JKSUJKDBSA-N 0 3 304.478 4.176 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001474648235 1062375660 /nfs/dbraw/zinc/37/56/60/1062375660.db2.gz ZWSGEORSQBFEER-CQSZACIVSA-N 0 3 314.454 4.217 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2cc(Br)c(C)s2)C1 ZINC001474647805 1062376583 /nfs/dbraw/zinc/37/65/83/1062376583.db2.gz UWSQUVZTCMLETP-LLVKDONJSA-N 0 3 300.265 4.217 20 30 DIEDHN C=CCCCCN(C)Cc1cc(Br)ccc1OC ZINC001459790570 1062402526 /nfs/dbraw/zinc/40/25/26/1062402526.db2.gz GRIDFHOJLPVNKF-UHFFFAOYSA-N 0 3 312.251 4.246 20 30 DIEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC001459804336 1062413682 /nfs/dbraw/zinc/41/36/82/1062413682.db2.gz CKAANLSLGIKKET-CQSZACIVSA-N 0 3 321.262 4.189 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cc(C)ccc1OC(F)F ZINC001459829174 1062430464 /nfs/dbraw/zinc/43/04/64/1062430464.db2.gz BAEJLIZDGUDCDT-UHFFFAOYSA-N 0 3 321.367 4.420 20 30 DIEDHN C=CCCCCC[C@@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC001474745370 1062460712 /nfs/dbraw/zinc/46/07/12/1062460712.db2.gz USMWAWCTMRQHKK-GFCCVEGCSA-N 0 3 303.372 4.054 20 30 DIEDHN N#Cc1ccc2c(c1)CCN(C1CCC(C(F)(F)F)CC1)C2 ZINC001255517206 1062470351 /nfs/dbraw/zinc/47/03/51/1062470351.db2.gz VMRKIENPRADXGO-UHFFFAOYSA-N 0 3 308.347 4.037 20 30 DIEDHN C[C@H](CC(F)(F)F)NCc1ccc(OC(F)(F)F)c(F)c1 ZINC001255636480 1062491266 /nfs/dbraw/zinc/49/12/66/1062491266.db2.gz OSGSQUVTOQAAOV-SSDOTTSWSA-N 0 3 319.220 4.155 20 30 DIEDHN C=CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC001459943112 1062513407 /nfs/dbraw/zinc/51/34/07/1062513407.db2.gz BWIPMAGMWXXSFC-KRWDZBQOSA-N 0 3 322.880 4.195 20 30 DIEDHN C[C@@H](CSc1ccc(F)cc1)NCc1csc(C#N)c1 ZINC001255734744 1062557567 /nfs/dbraw/zinc/55/75/67/1062557567.db2.gz STFGDYDYYAGMFU-NSHDSACASA-N 0 3 306.431 4.029 20 30 DIEDHN C=CCN(C)CCN(CC)Cc1csc(C2CCCCC2)n1 ZINC001460030500 1062584628 /nfs/dbraw/zinc/58/46/28/1062584628.db2.gz FWGPFYXIUVMTFT-UHFFFAOYSA-N 0 3 321.534 4.131 20 30 DIEDHN C=CC[C@H]1N(Cc2ccc(C#N)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460032164 1062585288 /nfs/dbraw/zinc/58/52/88/1062585288.db2.gz LCUKRHYPGJSSOU-QGZVFWFLSA-N 0 3 313.401 4.033 20 30 DIEDHN C=C[C@@H]1CCCCN1CCOc1cc(Cl)cc(Cl)c1 ZINC001460041535 1062594202 /nfs/dbraw/zinc/59/42/02/1062594202.db2.gz JNOJOKJKZKKEIW-CQSZACIVSA-N 0 3 300.229 4.413 20 30 DIEDHN FC(F)(F)c1ccc(C#CCN2CCC3(CCC3)CC2)cc1 ZINC001460066671 1062612987 /nfs/dbraw/zinc/61/29/87/1062612987.db2.gz BFQMWLBBDXAPEA-UHFFFAOYSA-N 0 3 307.359 4.323 20 30 DIEDHN C=C(CN1CCCCC1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001256029400 1062686591 /nfs/dbraw/zinc/68/65/91/1062686591.db2.gz FEAUYYIJKJQVLN-UHFFFAOYSA-N 0 3 319.408 4.389 20 30 DIEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)CC2(CCCCC2)O1 ZINC001460317549 1062776329 /nfs/dbraw/zinc/77/63/29/1062776329.db2.gz LUVRZWVNWBXPHU-KRWDZBQOSA-N 0 3 304.478 4.274 20 30 DIEDHN C=CCN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C(C)(C)C ZINC001460440577 1062856457 /nfs/dbraw/zinc/85/64/57/1062856457.db2.gz BGRQOJAMIZSHJC-INIZCTEOSA-N 0 3 322.518 4.238 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)c(C)c1 ZINC001460488842 1062880462 /nfs/dbraw/zinc/88/04/62/1062880462.db2.gz QZEZYKAQXGTXOY-GASCZTMLSA-N 0 3 306.247 4.441 20 30 DIEDHN C[C@@H](Cc1ccccc1Br)NCC1(C#N)CCCC1 ZINC001256825166 1063002212 /nfs/dbraw/zinc/00/22/12/1063002212.db2.gz PRTWIQYEEBPCPN-ZDUSSCGKSA-N 0 3 321.262 4.054 20 30 DIEDHN N#Cc1ccc(C2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC001257008026 1063075326 /nfs/dbraw/zinc/07/53/26/1063075326.db2.gz HEFDRKBOFFUTQX-UHFFFAOYSA-N 0 3 306.409 4.080 20 30 DIEDHN C[C@@H](COCC1CCCCC1)NCC#Cc1ccc(Cl)cc1 ZINC001460811817 1063078041 /nfs/dbraw/zinc/07/80/41/1063078041.db2.gz ANXMRCVFFLEIPP-INIZCTEOSA-N 0 3 319.876 4.267 20 30 DIEDHN C[C@]1(F)CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1F ZINC001257017682 1063082143 /nfs/dbraw/zinc/08/21/43/1063082143.db2.gz YHHSBSJGFRTXRQ-GMNCBBECSA-N 0 3 318.411 4.356 20 30 DIEDHN N#Cc1ccc(C2CCC(N3CCc4ncsc4C3)CC2)cc1 ZINC001257018868 1063085988 /nfs/dbraw/zinc/08/59/88/1063085988.db2.gz GQLOINBQXOKCLW-UHFFFAOYSA-N 0 3 323.465 4.099 20 30 DIEDHN C#CCN(C[C@@H]1CCC2(CCC2)O1)[C@H]1CCCc2ccccc21 ZINC001460839923 1063094321 /nfs/dbraw/zinc/09/43/21/1063094321.db2.gz XVLGHEZVUZBMBI-ICSRJNTNSA-N 0 3 309.453 4.101 20 30 DIEDHN CCOC(=O)[C@@H]1CC[C@@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001257064730 1063099361 /nfs/dbraw/zinc/09/93/61/1063099361.db2.gz XAJDATQWTJZQOC-SJLPKXTDSA-N 0 3 320.477 4.047 20 30 DIEDHN CCCCCCCCCC[C@@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001257545957 1063328110 /nfs/dbraw/zinc/32/81/10/1063328110.db2.gz AZRTVIZJYNJQMQ-IAGOWNOFSA-N 0 3 309.498 4.007 20 30 DIEDHN CCCCCCCCCC[C@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001257545958 1063330264 /nfs/dbraw/zinc/33/02/64/1063330264.db2.gz AZRTVIZJYNJQMQ-IRXDYDNUSA-N 0 3 309.498 4.007 20 30 DIEDHN N=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001257993565 1063451738 /nfs/dbraw/zinc/45/17/38/1063451738.db2.gz RZBIBJLXFCVQPQ-UHFFFAOYSA-N 0 3 313.832 4.167 20 30 DIEDHN CCCCCCC[C@H](C)n1nc(CN)c2cc(OC)ccc21 ZINC001258043067 1063475650 /nfs/dbraw/zinc/47/56/50/1063475650.db2.gz IMASGZJGROZCCL-AWEZNQCLSA-N 0 3 303.450 4.425 20 30 DIEDHN CCCCCCCCCCC[C@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258053268 1063484180 /nfs/dbraw/zinc/48/41/80/1063484180.db2.gz XWQMZKZHGBWLHC-ZWKOTPCHSA-N 0 3 323.525 4.397 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3scnc3c2)cc1 ZINC001461492006 1063537534 /nfs/dbraw/zinc/53/75/34/1063537534.db2.gz DIGUKDJRMLNZEN-UHFFFAOYSA-N 0 3 310.422 4.151 20 30 DIEDHN CCCCCCCCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001258229658 1063568151 /nfs/dbraw/zinc/56/81/51/1063568151.db2.gz TXLXNMXARSBGJM-HOTGVXAUSA-N 0 3 300.487 4.025 20 30 DIEDHN C(#Cc1ccccc1)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001461862320 1063756514 /nfs/dbraw/zinc/75/65/14/1063756514.db2.gz CBTKHMUKBKIBRR-QHCPKHFHSA-N 0 3 315.460 4.408 20 30 DIEDHN C=CCC[C@H](C)NCc1c(F)c(F)cc(Br)c1F ZINC001258717671 1063774680 /nfs/dbraw/zinc/77/46/80/1063774680.db2.gz WSYGFBIYIYJCBD-QMMMGPOBSA-N 0 3 322.168 4.311 20 30 DIEDHN C[C@@H](Cc1cccc(Cl)c1)NC(=N)c1ccc2ccccc2n1 ZINC001258742807 1063792670 /nfs/dbraw/zinc/79/26/70/1063792670.db2.gz ULHIFCDQBBRVJH-ZDUSSCGKSA-N 0 3 323.827 4.225 20 30 DIEDHN C=CCN(Cc1ccc(OC)c(OC)c1F)CC1CCCCC1 ZINC001461986261 1063858951 /nfs/dbraw/zinc/85/89/51/1063858951.db2.gz CXSBXCSUAFZSPS-UHFFFAOYSA-N 0 3 321.436 4.411 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1cc2cc(Cl)cnc2o1 ZINC001462003688 1063873573 /nfs/dbraw/zinc/87/35/73/1063873573.db2.gz UUBSMPPRUFONND-UHFFFAOYSA-N 0 3 316.788 4.305 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001303274470 1065111877 /nfs/dbraw/zinc/11/18/77/1065111877.db2.gz VITURSUAIKNKGD-KSZLIROESA-N 0 3 308.510 4.068 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](OC)c1ccccc1 ZINC001307424234 1065384482 /nfs/dbraw/zinc/38/44/82/1065384482.db2.gz SPSFOOAUHXVJPX-FQEVSTJZSA-N 0 3 311.425 4.071 20 30 DIEDHN C#CCN(C[C@@H]1CCCCC1(F)F)[C@H]1CCc2ccccc21 ZINC001307428406 1065387969 /nfs/dbraw/zinc/38/79/69/1065387969.db2.gz CYYYJDMZCSAMNH-WMZOPIPTSA-N 0 3 303.396 4.435 20 30 DIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC001307486928 1065432908 /nfs/dbraw/zinc/43/29/08/1065432908.db2.gz ZVSISUYLOOXOEW-KRWDZBQOSA-N 0 3 302.462 4.309 20 30 DIEDHN Cc1ccc([C@H]2C[C@H](C)CCN2CCOc2cccc(C#N)c2)o1 ZINC001307497188 1065442523 /nfs/dbraw/zinc/44/25/23/1065442523.db2.gz RANXCDQNLZIVNZ-DNVCBOLYSA-N 0 3 324.424 4.312 20 30 DIEDHN CCC(CC)CN(CCC#N)C[C@@H](C)c1ccc(OC)cc1 ZINC001307512795 1065453911 /nfs/dbraw/zinc/45/39/11/1065453911.db2.gz HPBLNTCXTPQYQN-MRXNPFEDSA-N 0 3 302.462 4.451 20 30 DIEDHN CCCCCCCCCN1CCN(c2ccccc2O)CC1 ZINC001307526141 1065464506 /nfs/dbraw/zinc/46/45/06/1065464506.db2.gz HJFCGPZEDPCPGE-UHFFFAOYSA-N 0 3 304.478 4.265 20 30 DIEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552197 1065478885 /nfs/dbraw/zinc/47/88/85/1065478885.db2.gz TUDYQYFMJNLESO-HOTGVXAUSA-N 0 3 306.475 4.035 20 30 DIEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552200 1065478994 /nfs/dbraw/zinc/47/89/94/1065478994.db2.gz TUDYQYFMJNLESO-JKSUJKDBSA-N 0 3 306.475 4.035 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C)c(F)c1 ZINC001307640581 1065534313 /nfs/dbraw/zinc/53/43/13/1065534313.db2.gz RJXRQTKSPAMSIN-SFHVURJKSA-N 0 3 300.352 4.386 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001307949286 1065695220 /nfs/dbraw/zinc/69/52/20/1065695220.db2.gz CFFCUUNDKWBQOG-ZENOOKHLSA-N 0 3 312.240 4.210 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001307954683 1065700190 /nfs/dbraw/zinc/70/01/90/1065700190.db2.gz NRPKTOKEBBQJJW-QGZVFWFLSA-N 0 3 312.363 4.216 20 30 DIEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC001307960984 1065701287 /nfs/dbraw/zinc/70/12/87/1065701287.db2.gz FFNZGWOVRJMTTR-HNNXBMFYSA-N 0 3 312.413 4.138 20 30 DIEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC001308133343 1065773855 /nfs/dbraw/zinc/77/38/55/1065773855.db2.gz DMBNWPVVNMENJX-AWEZNQCLSA-N 0 3 308.853 4.264 20 30 DIEDHN C=CCCCN(CC)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308135395 1065775302 /nfs/dbraw/zinc/77/53/02/1065775302.db2.gz XQUOYRZASBSGKA-SFHVURJKSA-N 0 3 314.473 4.005 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc(Br)cs1 ZINC001308134399 1065776135 /nfs/dbraw/zinc/77/61/35/1065776135.db2.gz AFNOHNHIDQFXBW-GFCCVEGCSA-N 0 3 300.265 4.441 20 30 DIEDHN Cc1cc(C)c2c(c1)CCN(CCCOc1ccc(C#N)cc1)C2 ZINC001308173437 1065788934 /nfs/dbraw/zinc/78/89/34/1065788934.db2.gz HVJYMGWJKNHTLK-UHFFFAOYSA-N 0 3 320.436 4.002 20 30 DIEDHN N#Cc1ccc(CNC/C=C/c2cccc(F)c2)cc1Cl ZINC001308382836 1065953287 /nfs/dbraw/zinc/95/32/87/1065953287.db2.gz BVWHELAWSNIYCF-DUXPYHPUSA-N 0 3 300.764 4.154 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2cccc(F)c2F)o1 ZINC001308410195 1065970339 /nfs/dbraw/zinc/97/03/39/1065970339.db2.gz DZOTUTLYEGATKK-CVEARBPZSA-N 0 3 319.351 4.048 20 30 DIEDHN C=CC1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC001308560422 1066070531 /nfs/dbraw/zinc/07/05/31/1066070531.db2.gz OSZPNXAKUHEMBK-UHFFFAOYSA-N 0 3 320.408 4.486 20 30 DIEDHN CCc1cccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1O ZINC001308579619 1066096424 /nfs/dbraw/zinc/09/64/24/1066096424.db2.gz ZNDNRBFWOBTPSH-PMACEKPBSA-N 0 3 320.436 4.226 20 30 DIEDHN C[C@]1(CCc2ccccc2)CCN(CC#Cc2ccccc2)C1 ZINC001308597478 1066109153 /nfs/dbraw/zinc/10/91/53/1066109153.db2.gz GELDYVYJSOKENN-QFIPXVFZSA-N 0 3 303.449 4.383 20 30 DIEDHN C=CCN(Cc1cc(-c2ccccn2)n[nH]1)CC1CCCCC1 ZINC001308634066 1066129193 /nfs/dbraw/zinc/12/91/93/1066129193.db2.gz HUSYQQQOWBKDHP-UHFFFAOYSA-N 0 3 310.445 4.040 20 30 DIEDHN C#CCN(C/C=C/c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001308635977 1066130022 /nfs/dbraw/zinc/13/00/22/1066130022.db2.gz ZZIGEECHWSWQDX-LYSGITKLSA-N 0 3 305.396 4.462 20 30 DIEDHN C#CCN(C/C=C\c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001308635979 1066130053 /nfs/dbraw/zinc/13/00/53/1066130053.db2.gz ZZIGEECHWSWQDX-RMUOZIPVSA-N 0 3 305.396 4.462 20 30 DIEDHN C#CCN(C/C=C\c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001308635978 1066130374 /nfs/dbraw/zinc/13/03/74/1066130374.db2.gz ZZIGEECHWSWQDX-QEVIJRNUSA-N 0 3 305.396 4.462 20 30 DIEDHN C=CCN(CCc1ccco1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308643630 1066134237 /nfs/dbraw/zinc/13/42/37/1066134237.db2.gz WJCKIJFGBZZHIE-UHFFFAOYSA-N 0 3 314.385 4.035 20 30 DIEDHN Cc1oc2ccccc2c1CNC1CC(C#N)(c2ccccc2)C1 ZINC001308667509 1066146054 /nfs/dbraw/zinc/14/60/54/1066146054.db2.gz COYADRDLGKJRPS-UHFFFAOYSA-N 0 3 316.404 4.455 20 30 DIEDHN C=CCCCC[C@@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703107 1066188470 /nfs/dbraw/zinc/18/84/70/1066188470.db2.gz GQXBHOHENYLGHG-BEFAXECRSA-N 0 3 315.436 4.373 20 30 DIEDHN C=CCC[C@H](C)NCc1cc(F)c(F)cc1Br ZINC001308752142 1066224111 /nfs/dbraw/zinc/22/41/11/1066224111.db2.gz VDSONJYFBZCEGU-VIFPVBQESA-N 0 3 304.178 4.172 20 30 DIEDHN C#C[C@@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795713 1066270690 /nfs/dbraw/zinc/27/06/90/1066270690.db2.gz KPJKITWKXQSZAM-ZWKOTPCHSA-N 0 3 316.231 4.425 20 30 DIEDHN C#C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)C ZINC001308794310 1066271170 /nfs/dbraw/zinc/27/11/70/1066271170.db2.gz KTCLRIREMGQJKB-HXUWFJFHSA-N 0 3 323.436 4.109 20 30 DIEDHN C#C[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795711 1066271630 /nfs/dbraw/zinc/27/16/30/1066271630.db2.gz KPJKITWKXQSZAM-ROUUACIJSA-N 0 3 316.231 4.425 20 30 DIEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCCCC2)cc1 ZINC001308867106 1066348890 /nfs/dbraw/zinc/34/88/90/1066348890.db2.gz JHWJUQBGQCOHGO-JKSUJKDBSA-N 0 3 300.446 4.251 20 30 DIEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCCCC2)cc1 ZINC001308867103 1066348957 /nfs/dbraw/zinc/34/89/57/1066348957.db2.gz JHWJUQBGQCOHGO-CVEARBPZSA-N 0 3 300.446 4.251 20 30 DIEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC001308957438 1066417940 /nfs/dbraw/zinc/41/79/40/1066417940.db2.gz BATAUHBTUSXJGS-HUUCEWRRSA-N 0 3 317.845 4.094 20 30 DIEDHN CN(CCc1ccc(F)cc1Cl)Cc1cc(C#N)cs1 ZINC001308957805 1066418143 /nfs/dbraw/zinc/41/81/43/1066418143.db2.gz GTLFYQMFOIVNAC-UHFFFAOYSA-N 0 3 308.809 4.087 20 30 DIEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000563715189 334933253 /nfs/dbraw/zinc/93/32/53/334933253.db2.gz REWOEZQQGYBALK-LJQANCHMSA-N 0 3 306.409 4.065 20 30 DIEDHN C=C(C)COc1cc(CNCc2ccsc2)ccc1OC ZINC000057963219 334952718 /nfs/dbraw/zinc/95/27/18/334952718.db2.gz YSWJGQCCPQRTNL-UHFFFAOYSA-N 0 3 303.427 4.001 20 30 DIEDHN CCOc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272181153 130005307 /nfs/dbraw/zinc/00/53/07/130005307.db2.gz FVUGKPSUEBPKOI-HNNXBMFYSA-N 0 3 306.409 4.297 20 30 DIEDHN C[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccc(C#N)cc1 ZINC000274400613 130231670 /nfs/dbraw/zinc/23/16/70/130231670.db2.gz SEVFCSYASHIOID-CQSZACIVSA-N 0 3 322.408 4.054 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OC2CCCCC2)CC1 ZINC000275721956 130371159 /nfs/dbraw/zinc/37/11/59/130371159.db2.gz SPSXMABGSRONDF-INIZCTEOSA-N 0 3 312.457 4.433 20 30 DIEDHN CC[C@H](NCc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000296595162 131974630 /nfs/dbraw/zinc/97/46/30/131974630.db2.gz VFDSXMVYGBJPAX-HNNXBMFYSA-N 0 3 319.330 4.213 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000297157631 132002280 /nfs/dbraw/zinc/00/22/80/132002280.db2.gz CSHMEFJPEVGCRX-SCLBCKFNSA-N 0 3 309.369 4.268 20 30 DIEDHN N#CCc1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000570718044 332805265 /nfs/dbraw/zinc/80/52/65/332805265.db2.gz MFYRNYLOYBDZHT-UHFFFAOYSA-N 0 3 310.344 4.123 20 30 DIEDHN C[C@H](NCc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000035230461 331488412 /nfs/dbraw/zinc/48/84/12/331488412.db2.gz GGQFNTBHIUMRQP-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN COc1cccc2c1CCC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000584092287 331709973 /nfs/dbraw/zinc/70/99/73/331709973.db2.gz MFJHLZVPDPKRLH-LIRRHRJNSA-N 0 3 306.409 4.295 20 30 DIEDHN CC(C)(NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000556521127 331713565 /nfs/dbraw/zinc/71/35/65/331713565.db2.gz XWZGHFWPSCXDEI-UHFFFAOYSA-N 0 3 302.780 4.376 20 30 DIEDHN C=CCC[C@@H](NCc1c(F)cccc1N1CCCC1)C1CC1 ZINC000556913608 331752978 /nfs/dbraw/zinc/75/29/78/331752978.db2.gz UVPNESQXUWFWPK-GOSISDBHSA-N 0 3 302.437 4.260 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NCc1cc3c(s1)CCCC3)CC2 ZINC000558499231 331913635 /nfs/dbraw/zinc/91/36/35/331913635.db2.gz RDRXGEMYBQZMRI-GOSISDBHSA-N 0 3 308.450 4.276 20 30 DIEDHN C[C@@H](NCCCSCC#N)c1ccc(Cl)cc1Cl ZINC000072513357 331930408 /nfs/dbraw/zinc/93/04/08/331930408.db2.gz PTZRNQYRSJZNML-SNVBAGLBSA-N 0 3 303.258 4.291 20 30 DIEDHN Cc1cccc(C2(CNC[C@@H](C#N)CCC#N)CCCCC2)c1 ZINC000558731531 331939712 /nfs/dbraw/zinc/93/97/12/331939712.db2.gz BNRNSJXYUFCRRW-GOSISDBHSA-N 0 3 309.457 4.230 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153803 331983157 /nfs/dbraw/zinc/98/31/57/331983157.db2.gz LEFIOUKTVXHADF-CVEARBPZSA-N 0 3 302.368 4.136 20 30 DIEDHN COc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCS2 ZINC000518183618 331995062 /nfs/dbraw/zinc/99/50/62/331995062.db2.gz JBBNIWOCIITZFH-GOSISDBHSA-N 0 3 324.449 4.088 20 30 DIEDHN CC(C)COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000127318009 332001191 /nfs/dbraw/zinc/00/11/91/332001191.db2.gz ZRQDKFIFQJTPQE-INIZCTEOSA-N 0 3 308.425 4.444 20 30 DIEDHN CC(C)N(CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000521195516 332055143 /nfs/dbraw/zinc/05/51/43/332055143.db2.gz DHSWQWQEHIMJDL-YLJYHZDGSA-N 0 3 314.473 4.364 20 30 DIEDHN C=CCCC[C@H](C)N[C@H](C)c1ncc(Br)s1 ZINC000133086553 332136433 /nfs/dbraw/zinc/13/64/33/332136433.db2.gz JVFOOKPOJXGUQD-VHSXEESVSA-N 0 3 303.269 4.301 20 30 DIEDHN COc1cc(Cl)c(CN[C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000449444669 332199192 /nfs/dbraw/zinc/19/91/92/332199192.db2.gz CAXGXXXNNPQTAJ-JQWIXIFHSA-N 0 3 313.228 4.174 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccccc2)cc1OCCCC#N ZINC000107318653 332264523 /nfs/dbraw/zinc/26/45/23/332264523.db2.gz NKATZQFDCDZVCO-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000560245108 332322886 /nfs/dbraw/zinc/32/28/86/332322886.db2.gz RWPCOHHFSPLLOA-AWEZNQCLSA-N 0 3 311.853 4.371 20 30 DIEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1cccs1 ZINC000237495224 332367059 /nfs/dbraw/zinc/36/70/59/332367059.db2.gz GLXLJZLJNUCQCO-AWEZNQCLSA-N 0 3 300.427 4.281 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000237719835 332386298 /nfs/dbraw/zinc/38/62/98/332386298.db2.gz IXHSBRCVYYMRES-HXUWFJFHSA-N 0 3 324.399 4.285 20 30 DIEDHN COc1ccc([C@H]2CCCN2CC(C)(C)CCC#N)c(OC)c1 ZINC000121021641 332391285 /nfs/dbraw/zinc/39/12/85/332391285.db2.gz AYFLEJTWHSYWBP-QGZVFWFLSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@H]1CCC[C@H](CCN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930419 332395042 /nfs/dbraw/zinc/39/50/42/332395042.db2.gz UPIZVTRCZLQURX-ZWKOTPCHSA-N 0 3 311.473 4.155 20 30 DIEDHN C=CCC[C@@H](NCc1cccc(C(=O)OC)c1)c1ccccc1 ZINC000561160340 332418572 /nfs/dbraw/zinc/41/85/72/332418572.db2.gz DZUHYVLZCANLQZ-LJQANCHMSA-N 0 3 309.409 4.270 20 30 DIEDHN C=CC[C@@H](C(=O)Nc1cc(C)cc(CN(C)C)c1)c1ccccc1 ZINC000427646518 332476090 /nfs/dbraw/zinc/47/60/90/332476090.db2.gz RQDFWXQWALGPSZ-HXUWFJFHSA-N 0 3 322.452 4.355 20 30 DIEDHN C=C(C)COc1cc(CN[C@H]2CC23CCCC3)ccc1OC ZINC000428540031 332480433 /nfs/dbraw/zinc/48/04/33/332480433.db2.gz NLWGJTDKDMQWRU-SFHVURJKSA-N 0 3 301.430 4.072 20 30 DIEDHN C=CCOc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 ZINC000525697068 332623580 /nfs/dbraw/zinc/62/35/80/332623580.db2.gz FQTKGPDXRSFIHO-UHFFFAOYSA-N 0 3 323.436 4.047 20 30 DIEDHN CC(C)(C)c1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000171769837 333054450 /nfs/dbraw/zinc/05/44/50/333054450.db2.gz PDVVBLMMAOCFHT-UHFFFAOYSA-N 0 3 308.425 4.176 20 30 DIEDHN C=CCOc1cccc(CNCc2cc3c(s2)CCCC3)c1 ZINC000518774429 333109864 /nfs/dbraw/zinc/10/98/64/333109864.db2.gz HFECVIDQPISZCK-UHFFFAOYSA-N 0 3 313.466 4.482 20 30 DIEDHN C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000180351608 333161187 /nfs/dbraw/zinc/16/11/87/333161187.db2.gz ICSPZDLFMLHXOQ-MRXNPFEDSA-N 0 3 306.409 4.319 20 30 DIEDHN C[C@@H](N[C@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642930 333170927 /nfs/dbraw/zinc/17/09/27/333170927.db2.gz SEZDQEMYEXEULO-BEFAXECRSA-N 0 3 322.408 4.153 20 30 DIEDHN Cc1cccnc1[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754593 333172015 /nfs/dbraw/zinc/17/20/15/333172015.db2.gz BAIMABUPCIGQLH-VQIMIIECSA-N 0 3 323.440 4.340 20 30 DIEDHN Cc1c2ccccc2oc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000181754175 333172187 /nfs/dbraw/zinc/17/21/87/333172187.db2.gz HAHCGKHOZULVMP-OAHLLOKOSA-N 0 3 320.392 4.494 20 30 DIEDHN C[C@H](NCCCSCC#N)c1cccc(Cl)c1Cl ZINC000183767633 333187623 /nfs/dbraw/zinc/18/76/23/333187623.db2.gz ADUBOBNSBDOXDC-JTQLQIEISA-N 0 3 303.258 4.291 20 30 DIEDHN CC(C)(C)OCc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185807840 333214356 /nfs/dbraw/zinc/21/43/56/333214356.db2.gz GDPBJJKDQOHJFW-QAPCUYQASA-N 0 3 300.446 4.174 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1ccc(C#N)s1 ZINC000497263125 333228746 /nfs/dbraw/zinc/22/87/46/333228746.db2.gz SADWPCNZZMOJOP-BZNIZROVSA-N 0 3 320.845 4.139 20 30 DIEDHN Cc1cccc(CNCC(C)(C)CCC#N)c1Br ZINC000190317814 333269881 /nfs/dbraw/zinc/26/98/81/333269881.db2.gz OOHGBAMELZFDBY-UHFFFAOYSA-N 0 3 309.251 4.177 20 30 DIEDHN CC[C@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1Br ZINC000492609378 333305205 /nfs/dbraw/zinc/30/52/05/333305205.db2.gz SZJKAAVYJQTVDH-FZMZJTMJSA-N 0 3 307.235 4.084 20 30 DIEDHN Cc1cc(C(F)(F)F)ccc1CNCc1cc(C#N)cs1 ZINC000188908539 333357579 /nfs/dbraw/zinc/35/75/79/333357579.db2.gz JAPIGYGOOURWCS-UHFFFAOYSA-N 0 3 310.344 4.237 20 30 DIEDHN Cc1cc(C2CCN(CCCC#N)CC2)ccc1Br ZINC000188199063 333360268 /nfs/dbraw/zinc/36/02/68/333360268.db2.gz NZEFYTZRPANJTA-UHFFFAOYSA-N 0 3 321.262 4.241 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000160958167 333369999 /nfs/dbraw/zinc/36/99/99/333369999.db2.gz QFZDTQNYANJXMW-DYVFJYSZSA-N 0 3 312.438 4.206 20 30 DIEDHN CC(C)(C#N)CCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000319871897 333414523 /nfs/dbraw/zinc/41/45/23/333414523.db2.gz JCSCMHSJWGPHRI-UHFFFAOYSA-N 0 3 319.880 4.182 20 30 DIEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 ZINC000338954003 333503135 /nfs/dbraw/zinc/50/31/35/333503135.db2.gz VISIBTOYQFCOOX-INIZCTEOSA-N 0 3 319.408 4.092 20 30 DIEDHN Cc1nc(-c2ccc([C@H](C)N[C@H]3CC[C@H](C#N)C3)cc2)cs1 ZINC000339066530 333507974 /nfs/dbraw/zinc/50/79/74/333507974.db2.gz FSQZZYZAAVSWBV-JDFRZJQESA-N 0 3 311.454 4.461 20 30 DIEDHN N#Cc1ccc(CNCCc2cc3ccccc3s2)c(F)c1 ZINC000563502019 333616439 /nfs/dbraw/zinc/61/64/39/333616439.db2.gz ANAGVYQVSHMBPM-UHFFFAOYSA-N 0 3 310.397 4.244 20 30 DIEDHN COc1cc(CN(Cc2cccc(F)c2)C(C)C)ccc1C#N ZINC000442818262 335151808 /nfs/dbraw/zinc/15/18/08/335151808.db2.gz ZYPYJZKDSJIZLN-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN N#CC1(CCN2CCN(CC3CCCCC3)CC2)CCCCC1 ZINC000411194098 333641246 /nfs/dbraw/zinc/64/12/46/333641246.db2.gz GIODQQOCBJQQCK-UHFFFAOYSA-N 0 3 317.521 4.048 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CCCS2 ZINC000414161614 333915179 /nfs/dbraw/zinc/91/51/79/333915179.db2.gz FTWCZCBEYBSLSE-HNNXBMFYSA-N 0 3 304.459 4.152 20 30 DIEDHN CCOc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1OCC ZINC000414165054 333916000 /nfs/dbraw/zinc/91/60/00/333916000.db2.gz KZXAFPWZUCOIFR-CQSZACIVSA-N 0 3 304.434 4.074 20 30 DIEDHN N#CCc1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000343419549 335163449 /nfs/dbraw/zinc/16/34/49/335163449.db2.gz LVIBHBCRKVJNIW-QGZVFWFLSA-N 0 3 324.449 4.052 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000414497590 333998300 /nfs/dbraw/zinc/99/83/00/333998300.db2.gz GHUNLOZGDVUMPU-ZFWWWQNUSA-N 0 3 300.789 4.231 20 30 DIEDHN Cc1cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517154 334024037 /nfs/dbraw/zinc/02/40/37/334024037.db2.gz UFMYWQVEBJYVLU-HUUCEWRRSA-N 0 3 312.388 4.448 20 30 DIEDHN COc1cccc(C2(NCc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000271724026 334026124 /nfs/dbraw/zinc/02/61/24/334026124.db2.gz QRWUUCSEEYZPOU-UHFFFAOYSA-N 0 3 320.436 4.275 20 30 DIEDHN CC(C)(C#N)c1ccccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000271790817 334026922 /nfs/dbraw/zinc/02/69/22/334026922.db2.gz NHXWAWPISWFZHZ-UHFFFAOYSA-N 0 3 315.420 4.138 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@H](CCCO)c1ccccc1 ZINC000271823426 334027518 /nfs/dbraw/zinc/02/75/18/334027518.db2.gz SIXWAOWQNBVDKF-FQEVSTJZSA-N 0 3 322.452 4.091 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@H](CCCO)c1ccccc1 ZINC000271823429 334027569 /nfs/dbraw/zinc/02/75/69/334027569.db2.gz SIXWAOWQNBVDKF-HXUWFJFHSA-N 0 3 322.452 4.091 20 30 DIEDHN CCN(C)c1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267886 334032162 /nfs/dbraw/zinc/03/21/62/334032162.db2.gz MSCJSKYQGNPKIA-MRXNPFEDSA-N 0 3 319.452 4.354 20 30 DIEDHN C[C@H](NCCCC#N)c1cc2cc(Br)ccc2o1 ZINC000273310481 334045225 /nfs/dbraw/zinc/04/52/25/334045225.db2.gz WNGPXJBPLYPCJR-JTQLQIEISA-N 0 3 307.191 4.150 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(OCC#N)cc2)cc1C ZINC000273332552 334045420 /nfs/dbraw/zinc/04/54/20/334045420.db2.gz JHPOBRHBKQJLKR-MRXNPFEDSA-N 0 3 324.424 4.065 20 30 DIEDHN C[C@H](CN(C)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000437584370 334053341 /nfs/dbraw/zinc/05/33/41/334053341.db2.gz ROMGSQRSRQCTFT-CYBMUJFWSA-N 0 3 300.352 4.072 20 30 DIEDHN N#CCOc1ccc(CN2CCC(c3ccsc3)CC2)cc1 ZINC000274937052 334067945 /nfs/dbraw/zinc/06/79/45/334067945.db2.gz ADLXTBCPVCBWNX-UHFFFAOYSA-N 0 3 312.438 4.030 20 30 DIEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCCC(C)(C)C#N ZINC000277830735 334091319 /nfs/dbraw/zinc/09/13/19/334091319.db2.gz WCOWTVFPGHZRDC-OYHNWAKOSA-N 0 3 320.502 4.137 20 30 DIEDHN CN(CCCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000278142981 334093048 /nfs/dbraw/zinc/09/30/48/334093048.db2.gz NPNYGASZFWUOAA-UHFFFAOYSA-N 0 3 310.445 4.024 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957307 334129922 /nfs/dbraw/zinc/12/99/22/334129922.db2.gz MOWIDRVHLBPQID-XYJFISCASA-N 0 3 321.424 4.003 20 30 DIEDHN CC1(C)CN(CCCC2(C#N)CCOCC2)[C@@H]1c1cccs1 ZINC000286927153 334155173 /nfs/dbraw/zinc/15/51/73/334155173.db2.gz KWYHSPYZZCGZRK-MRXNPFEDSA-N 0 3 318.486 4.232 20 30 DIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 ZINC000289395547 334164735 /nfs/dbraw/zinc/16/47/35/334164735.db2.gz KLLVPCFHFNMHIS-OAHLLOKOSA-N 0 3 309.413 4.464 20 30 DIEDHN CCc1nc(C)c(CNC2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000291979088 334183684 /nfs/dbraw/zinc/18/36/84/334183684.db2.gz VEIOHXWTGKQNLR-UHFFFAOYSA-N 0 3 323.440 4.039 20 30 DIEDHN CC(C)(C#N)CCCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292262915 334186190 /nfs/dbraw/zinc/18/61/90/334186190.db2.gz YVTNNKZFOGHCLX-UHFFFAOYSA-N 0 3 303.406 4.140 20 30 DIEDHN CCc1noc(C)c1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000293849982 334202833 /nfs/dbraw/zinc/20/28/33/334202833.db2.gz YGGXNLVZXCQMIP-UHFFFAOYSA-N 0 3 323.440 4.039 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2csc(-c3ccc(F)cc3)n2)C1 ZINC000295019680 334215613 /nfs/dbraw/zinc/21/56/13/334215613.db2.gz KLTLWEIZMPYYHZ-WFASDCNBSA-N 0 3 315.417 4.121 20 30 DIEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1Cc1ccc(C#N)s1 ZINC000295058466 334216549 /nfs/dbraw/zinc/21/65/49/334216549.db2.gz GJGYMBFMNXGAIJ-HBNTYKKESA-N 0 3 302.365 4.171 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2c(Cl)cccc2N2CCCC2)C1 ZINC000295119433 334218967 /nfs/dbraw/zinc/21/89/67/334218967.db2.gz WIMUHUCVMVENBD-GJZGRUSLSA-N 0 3 317.864 4.112 20 30 DIEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000296659100 334235862 /nfs/dbraw/zinc/23/58/62/334235862.db2.gz ZPYHSWJYIMRNKF-AVGNSLFASA-N 0 3 307.235 4.182 20 30 DIEDHN COc1cc([C@@H](C)N[C@@H](C)CCC#N)ccc1OCC(C)C ZINC000299519806 334255949 /nfs/dbraw/zinc/25/59/49/334255949.db2.gz CVYABYQUVPJVHF-LSDHHAIUSA-N 0 3 304.434 4.073 20 30 DIEDHN CC(C)(C#N)CCN(Cc1cccc(Br)c1)C1CC1 ZINC000534951940 334352270 /nfs/dbraw/zinc/35/22/70/334352270.db2.gz QSONIHZWXZTLAY-UHFFFAOYSA-N 0 3 321.262 4.353 20 30 DIEDHN Cc1ccc(OC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000535083782 334366444 /nfs/dbraw/zinc/36/64/44/334366444.db2.gz FQZQPSHGUSUAGK-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(c2ccc(C)nc2)CC1 ZINC000341540980 334456114 /nfs/dbraw/zinc/45/61/14/334456114.db2.gz ZPUQBLBTQSJFDL-UHFFFAOYSA-N 0 3 322.452 4.334 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000341683760 334469886 /nfs/dbraw/zinc/46/98/86/334469886.db2.gz MVWTZARQKYIHJB-UXHICEINSA-N 0 3 306.384 4.352 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682975 334469943 /nfs/dbraw/zinc/46/99/43/334469943.db2.gz KLXBRULJBXSZSJ-ORAYPTAESA-N 0 3 324.399 4.434 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2cc(F)ccc21 ZINC000341752721 334476717 /nfs/dbraw/zinc/47/67/17/334476717.db2.gz WSOFBSANSDUDFL-VQTJNVASSA-N 0 3 306.384 4.352 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2ccccc2o1 ZINC000341760410 334478041 /nfs/dbraw/zinc/47/80/41/334478041.db2.gz LMPLDVOQXVHIQN-IBGZPJMESA-N 0 3 302.377 4.472 20 30 DIEDHN CC(C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342711110 334567802 /nfs/dbraw/zinc/56/78/02/334567802.db2.gz VDJXKXFYMOCAOJ-LJQANCHMSA-N 0 3 318.424 4.083 20 30 DIEDHN C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1CNC ZINC000415915620 334628368 /nfs/dbraw/zinc/62/83/68/334628368.db2.gz ZPQNXHMJHNXGMM-UHFFFAOYSA-N 0 3 315.461 4.006 20 30 DIEDHN COc1ccsc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417362240 334739291 /nfs/dbraw/zinc/73/92/91/334739291.db2.gz JLKGUQCBHAOWLM-WBMJQRKESA-N 0 3 312.438 4.357 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000417376849 334765631 /nfs/dbraw/zinc/76/56/31/334765631.db2.gz CLBLKIZPISMVPT-LEWJYISDSA-N 0 3 318.420 4.221 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343674106 335187240 /nfs/dbraw/zinc/18/72/40/335187240.db2.gz AGSWSAZVHHZAFC-OAHLLOKOSA-N 0 3 324.424 4.011 20 30 DIEDHN N#CCCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000344311152 335239778 /nfs/dbraw/zinc/23/97/78/335239778.db2.gz WOWNOWANSFURRH-UHFFFAOYSA-N 0 3 308.303 4.359 20 30 DIEDHN CCC1(CC)[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@H]1OC ZINC000344328682 335241162 /nfs/dbraw/zinc/24/11/62/335241162.db2.gz LZXBNGCCOKFSJO-RCCFBDPRSA-N 0 3 300.446 4.215 20 30 DIEDHN CC(C)(C#N)CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000345711438 335345039 /nfs/dbraw/zinc/34/50/39/335345039.db2.gz MCABXZGSDABHRU-AWEZNQCLSA-N 0 3 317.502 4.141 20 30 DIEDHN C=C(CN[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000346774607 335439680 /nfs/dbraw/zinc/43/96/80/335439680.db2.gz FMIAPVWTFMSLPE-SFHVURJKSA-N 0 3 311.425 4.458 20 30 DIEDHN C=C(CN[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000346781178 335440283 /nfs/dbraw/zinc/44/02/83/335440283.db2.gz PUQBVRZVTXLHOS-KRWDZBQOSA-N 0 3 320.436 4.177 20 30 DIEDHN Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2NCCCC#N ZINC000346839403 335445226 /nfs/dbraw/zinc/44/52/26/335445226.db2.gz SPEFWXBUGBFBSZ-KRWDZBQOSA-N 0 3 300.446 4.400 20 30 DIEDHN C[C@@H](CNCc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000191156527 335624330 /nfs/dbraw/zinc/62/43/30/335624330.db2.gz MIUHURJPWLQMRB-NSHDSACASA-N 0 3 308.303 4.063 20 30 DIEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000093492030 335652820 /nfs/dbraw/zinc/65/28/20/335652820.db2.gz IYBDCIQECNLXRH-SNVBAGLBSA-N 0 3 310.344 4.489 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000519294660 335829937 /nfs/dbraw/zinc/82/99/37/335829937.db2.gz VONNKDDDYLGHCJ-RDJZCZTQSA-N 0 3 316.408 4.012 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccccc3Cl)C2)s1 ZINC000519691863 335889622 /nfs/dbraw/zinc/88/96/22/335889622.db2.gz HIXFTVFDJBXOGW-HAQNSBGRSA-N 0 3 302.830 4.309 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)NCC#Cc1cccc(Cl)c1 ZINC000445892160 338514594 /nfs/dbraw/zinc/51/45/94/338514594.db2.gz ZMYOGKGTOGXYFO-CQSZACIVSA-N 0 3 303.755 4.258 20 30 DIEDHN CCc1cccc2c(CCNCc3ccc(C#N)cc3F)c[nH]c21 ZINC000532568512 336255758 /nfs/dbraw/zinc/25/57/58/336255758.db2.gz NNTHKMKKYFFPFW-UHFFFAOYSA-N 0 3 321.399 4.073 20 30 DIEDHN CC(C)[C@@H]1C[C@H](CNCc2nc(C#N)cs2)c2ccccc21 ZINC000352863258 336282868 /nfs/dbraw/zinc/28/28/68/336282868.db2.gz TXRDFJOECOAZAC-DYVFJYSZSA-N 0 3 311.454 4.031 20 30 DIEDHN N#Cc1ccc(Cl)cc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301171295 336293142 /nfs/dbraw/zinc/29/31/42/336293142.db2.gz GLXMHBLCCMYCGF-INIZCTEOSA-N 0 3 315.804 4.054 20 30 DIEDHN CN1CCC[C@H](CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000301440152 336306975 /nfs/dbraw/zinc/30/69/75/336306975.db2.gz UADIMPCRMVWGID-CRAIPNDOSA-N 0 3 311.454 4.115 20 30 DIEDHN C[C@@H](c1ccccc1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353011122 336381950 /nfs/dbraw/zinc/38/19/50/336381950.db2.gz XXMAACAZYWHMRJ-HNNXBMFYSA-N 0 3 324.399 4.302 20 30 DIEDHN CC(C)(CCC#N)CN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000418090090 336399043 /nfs/dbraw/zinc/39/90/43/336399043.db2.gz DDPYYGQQFCQCKB-MRXNPFEDSA-N 0 3 306.400 4.302 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1cccc(Cl)c1 ZINC000353611428 336428771 /nfs/dbraw/zinc/42/87/71/336428771.db2.gz PILWBRHIALZUQE-KRWDZBQOSA-N 0 3 314.816 4.461 20 30 DIEDHN Cc1cc2cc(CN[C@@H]3CCc4ccc(C#N)cc43)ccc2[nH]1 ZINC000353622994 336429479 /nfs/dbraw/zinc/42/94/79/336429479.db2.gz DRDPHBMTPRSIKQ-HXUWFJFHSA-N 0 3 301.393 4.125 20 30 DIEDHN Cn1cnc2cc(CN[C@H](CCCC#N)c3ccccc3)ccc21 ZINC000353910864 336447391 /nfs/dbraw/zinc/44/73/91/336447391.db2.gz AJDADCVNGSJSQB-GOSISDBHSA-N 0 3 318.424 4.098 20 30 DIEDHN Cc1nc2c(s1)[C@@H](N[C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782045 336560809 /nfs/dbraw/zinc/56/08/09/336560809.db2.gz KHSVMHHVININDX-AEFFLSMTSA-N 0 3 323.465 4.368 20 30 DIEDHN C=CCC[C@H](NCC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000358179921 336615332 /nfs/dbraw/zinc/61/53/32/336615332.db2.gz RKEICMAJHWSKCU-SIKLNZKXSA-N 0 3 313.466 4.091 20 30 DIEDHN C=CCCOCCN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358361239 336626406 /nfs/dbraw/zinc/62/64/06/336626406.db2.gz DEHSHIZUUBQCQE-MRXNPFEDSA-N 0 3 309.837 4.044 20 30 DIEDHN CCc1cnccc1[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000358508785 336633082 /nfs/dbraw/zinc/63/30/82/336633082.db2.gz MAZVHFHLOGVRIQ-MRXNPFEDSA-N 0 3 323.440 4.177 20 30 DIEDHN CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000359677494 336682956 /nfs/dbraw/zinc/68/29/56/336682956.db2.gz MEZIQZKCWQPBCQ-FQEVSTJZSA-N 0 3 307.441 4.187 20 30 DIEDHN COC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655681 336717603 /nfs/dbraw/zinc/71/76/03/336717603.db2.gz DRQISZQAFNORKX-RTWAWAEBSA-N 0 3 320.436 4.303 20 30 DIEDHN CC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000360654977 336717640 /nfs/dbraw/zinc/71/76/40/336717640.db2.gz BCLRZMGDBGMVLD-WOJBJXKFSA-N 0 3 305.425 4.462 20 30 DIEDHN COCc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838840 336723830 /nfs/dbraw/zinc/72/38/30/336723830.db2.gz VNJDISWVFIKEBX-NRFANRHFSA-N 0 3 320.436 4.262 20 30 DIEDHN COc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838855 336723962 /nfs/dbraw/zinc/72/39/62/336723962.db2.gz VQCXYARBOVQINJ-FQEVSTJZSA-N 0 3 306.409 4.124 20 30 DIEDHN C=CCC[C@H](NCc1ccccc1-c1cnn(C)c1)c1ccco1 ZINC000367538972 336824691 /nfs/dbraw/zinc/82/46/91/336824691.db2.gz VCCZVFBSSHCVKU-IBGZPJMESA-N 0 3 321.424 4.477 20 30 DIEDHN C[C@H](CCN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000368518834 336846598 /nfs/dbraw/zinc/84/65/98/336846598.db2.gz NRGFWYMCVGKXDG-GOSISDBHSA-N 0 3 319.452 4.133 20 30 DIEDHN N#Cc1cccc(CN[C@H](c2cccnc2)C2CCCCC2)c1 ZINC000368960571 336855650 /nfs/dbraw/zinc/85/56/50/336855650.db2.gz OICZASUVCFWINY-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2c(cccc2F)[nH]1 ZINC000418145159 336896727 /nfs/dbraw/zinc/89/67/27/336896727.db2.gz MCCUUJJHZDTDBT-LJQANCHMSA-N 0 3 319.383 4.346 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(Cl)cs1 ZINC000418152116 336898151 /nfs/dbraw/zinc/89/81/51/336898151.db2.gz XWBROMNJTUWZPU-INIZCTEOSA-N 0 3 302.830 4.440 20 30 DIEDHN C/C(=C\c1ccccc1OC(F)F)CN1CCC(CC#N)CC1 ZINC000582697364 337121615 /nfs/dbraw/zinc/12/16/15/337121615.db2.gz AALFFDHFPVROSC-WYMLVPIESA-N 0 3 320.383 4.317 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOc1ccccc1Cl ZINC000532897922 337134084 /nfs/dbraw/zinc/13/40/84/337134084.db2.gz WMKUMIXQMRDOPC-CQSZACIVSA-N 0 3 314.816 4.283 20 30 DIEDHN COc1ccc(OC)c([C@H]2CCCN2CCCC(C)(C)C#N)c1 ZINC000174811498 337143606 /nfs/dbraw/zinc/14/36/06/337143606.db2.gz UEZLJRIAUXSAIF-QGZVFWFLSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000176747957 337152008 /nfs/dbraw/zinc/15/20/08/337152008.db2.gz DLQWNYTTXZRULZ-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCSCCN[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000180458239 337174703 /nfs/dbraw/zinc/17/47/03/337174703.db2.gz CHHLMEULYVPRHT-GFCCVEGCSA-N 0 3 319.499 4.083 20 30 DIEDHN CCC[C@H](NCc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000583024654 337226615 /nfs/dbraw/zinc/22/66/15/337226615.db2.gz GKQIXBAUVBBEFZ-FQEVSTJZSA-N 0 3 308.425 4.392 20 30 DIEDHN C=C(C)COCCNC/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000583107276 337238209 /nfs/dbraw/zinc/23/82/09/337238209.db2.gz XDSPSCONHMGZRI-NTEUORMPSA-N 0 3 313.363 4.291 20 30 DIEDHN Cc1ccc(C)c(Oc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cn2)c1 ZINC000583242277 337285692 /nfs/dbraw/zinc/28/56/92/337285692.db2.gz YNQMCLJVNWECOW-SJLPKXTDSA-N 0 3 321.424 4.273 20 30 DIEDHN N#CC(=C([O-])c1cccc(C(F)F)c1)c1cnc2ccccc2n1 ZINC000190903123 337291206 /nfs/dbraw/zinc/29/12/06/337291206.db2.gz RXJHDVDJUUKTNS-ZDUSSCGKSA-N 0 3 323.302 4.057 20 30 DIEDHN N#CC(C(=O)c1cccc(C(F)F)c1)c1cnc2ccccc2n1 ZINC000190903123 337291207 /nfs/dbraw/zinc/29/12/07/337291207.db2.gz RXJHDVDJUUKTNS-ZDUSSCGKSA-N 0 3 323.302 4.057 20 30 DIEDHN Cn1cc(CN[C@H](CC2CCCC2)c2ccccc2)cc1C#N ZINC000191467834 337297245 /nfs/dbraw/zinc/29/72/45/337297245.db2.gz ORVLFEQLZGEZPC-HXUWFJFHSA-N 0 3 307.441 4.308 20 30 DIEDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(CC#N)cc1 ZINC000583716135 337316783 /nfs/dbraw/zinc/31/67/83/337316783.db2.gz PHYFAGXACNZEEW-OAQYLSRUSA-N 0 3 320.436 4.271 20 30 DIEDHN C#CC[C@H](NCc1ccc(OC)c(COCC)c1)c1ccccc1 ZINC000270252912 337639545 /nfs/dbraw/zinc/63/95/45/337639545.db2.gz USNLLNLDVXLXBC-FQEVSTJZSA-N 0 3 323.436 4.086 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416496 337644321 /nfs/dbraw/zinc/64/43/21/337644321.db2.gz BIJXJCKLGFSKFE-VQIMIIECSA-N 0 3 321.420 4.263 20 30 DIEDHN CCC[C@H](NCc1ccc(C#N)s1)c1ccc(OC)cc1 ZINC000421884564 337658832 /nfs/dbraw/zinc/65/88/32/337658832.db2.gz QTHAFLACSDLVDX-KRWDZBQOSA-N 0 3 300.427 4.259 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338958 337712888 /nfs/dbraw/zinc/71/28/88/337712888.db2.gz BDJSWVLLBDBEKJ-BUXKBTBVSA-N 0 3 309.388 4.008 20 30 DIEDHN CC[C@H](N[C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000423352408 337713642 /nfs/dbraw/zinc/71/36/42/337713642.db2.gz KNISCUCNWGNGSR-PMACEKPBSA-N 0 3 305.425 4.259 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000424195056 337805728 /nfs/dbraw/zinc/80/57/28/337805728.db2.gz BZULSMFJCUJVDE-SMDDNHRTSA-N 0 3 317.845 4.245 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000424206313 337809377 /nfs/dbraw/zinc/80/93/77/337809377.db2.gz WTMUKVLFBGDBET-GXSJLCMTSA-N 0 3 302.727 4.141 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000424317800 337819929 /nfs/dbraw/zinc/81/99/29/337819929.db2.gz CHLZRECVFBOAAB-KBMXLJTQSA-N 0 3 323.465 4.469 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC3(CCCCC3)Oc3ccccc32)C1 ZINC000424327554 337821424 /nfs/dbraw/zinc/82/14/24/337821424.db2.gz MVIKHENYLABJMM-SOLBZPMBSA-N 0 3 310.441 4.495 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000424327912 337821632 /nfs/dbraw/zinc/82/16/32/337821632.db2.gz NGPNRAVQYFITDE-PEYYIBSZSA-N 0 3 324.346 4.318 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3ccc(Br)cc32)C1 ZINC000424331731 337822210 /nfs/dbraw/zinc/82/22/10/337822210.db2.gz SHVOYKQOSUNZFK-PEYYIBSZSA-N 0 3 319.246 4.108 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000424335489 337822707 /nfs/dbraw/zinc/82/27/07/337822707.db2.gz WTDQBIBGSWVTSJ-PWIZWCRZSA-N 0 3 308.400 4.391 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N(C)c2ccccc2)CC1 ZINC000118394819 337850454 /nfs/dbraw/zinc/85/04/54/337850454.db2.gz UWINAZUZQZIGMQ-KRWDZBQOSA-N 0 3 319.452 4.220 20 30 DIEDHN C=C(C)COc1cc(CNCc2ccc(C)s2)ccc1OC ZINC000057964291 337867540 /nfs/dbraw/zinc/86/75/40/337867540.db2.gz DSVTVPQCRPNGJD-UHFFFAOYSA-N 0 3 317.454 4.310 20 30 DIEDHN C=CCC(C)(C)CN[C@@H](C)c1ncc(Br)cc1F ZINC000515679047 337994915 /nfs/dbraw/zinc/99/49/15/337994915.db2.gz FFHLNYJTLBCUQJ-JTQLQIEISA-N 0 3 315.230 4.236 20 30 DIEDHN CCSc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000426301506 338025618 /nfs/dbraw/zinc/02/56/18/338025618.db2.gz DEYPGDUMDSRKAN-LJQANCHMSA-N 0 3 308.450 4.447 20 30 DIEDHN C=CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000428386654 338049808 /nfs/dbraw/zinc/04/98/08/338049808.db2.gz XPDGFOJUIZCVMH-UHFFFAOYSA-N 0 3 307.397 4.059 20 30 DIEDHN N#CCC1(CNCc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000430042093 338094257 /nfs/dbraw/zinc/09/42/57/338094257.db2.gz XRWOLXYCPMIPFM-UHFFFAOYSA-N 0 3 300.402 4.338 20 30 DIEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccccc1 ZINC000430098594 338096445 /nfs/dbraw/zinc/09/64/45/338096445.db2.gz CWVZJHKYPRVPMM-INIZCTEOSA-N 0 3 318.424 4.178 20 30 DIEDHN N#CCC1(CN[C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000430724821 338112458 /nfs/dbraw/zinc/11/24/58/338112458.db2.gz OYRIIOXMRIJRAD-IBGZPJMESA-N 0 3 308.400 4.393 20 30 DIEDHN Cc1cc(Br)cc2c1[C@@H](NCC1(CC#N)CC1)CC2 ZINC000430760875 338114135 /nfs/dbraw/zinc/11/41/35/338114135.db2.gz KHMWTLRTKWQVIR-AWEZNQCLSA-N 0 3 319.246 4.028 20 30 DIEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874417 338117712 /nfs/dbraw/zinc/11/77/12/338117712.db2.gz CTRQNQFUXLBKLG-UKRRQHHQSA-N 0 3 308.347 4.235 20 30 DIEDHN N#CC1(CN[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881788 338117946 /nfs/dbraw/zinc/11/79/46/338117946.db2.gz FKOPLXIXTSCZHF-HUUCEWRRSA-N 0 3 308.347 4.235 20 30 DIEDHN C[C@@H](NCCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000432450572 338156726 /nfs/dbraw/zinc/15/67/26/338156726.db2.gz XPXZEWMLTOLTMK-VQCLRJIVSA-N 0 3 318.436 4.332 20 30 DIEDHN CN(C)c1ccccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433017496 338176461 /nfs/dbraw/zinc/17/64/61/338176461.db2.gz AURGWSYQSZWAQF-LJQANCHMSA-N 0 3 307.441 4.277 20 30 DIEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433227848 338186587 /nfs/dbraw/zinc/18/65/87/338186587.db2.gz MRJVFUHUOSEVPW-MAUKXSAKSA-N 0 3 324.399 4.118 20 30 DIEDHN C[C@@H](c1ccccc1F)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433225971 338186599 /nfs/dbraw/zinc/18/65/99/338186599.db2.gz KTQCJHFIPAPIID-RDJZCZTQSA-N 0 3 324.399 4.118 20 30 DIEDHN CCCCCN(C(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000433316753 338191941 /nfs/dbraw/zinc/19/19/41/338191941.db2.gz HBIMTCPFDHPZLO-GOSISDBHSA-N 0 3 300.446 4.186 20 30 DIEDHN N#CCCCNc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000433763132 338200952 /nfs/dbraw/zinc/20/09/52/338200952.db2.gz UXQZIWUMMREAKB-UHFFFAOYSA-N 0 3 303.365 4.165 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229389 338262565 /nfs/dbraw/zinc/26/25/65/338262565.db2.gz DXBJLJZHYSGDNN-QFBILLFUSA-N 0 3 308.400 4.198 20 30 DIEDHN CSc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000436286389 338266167 /nfs/dbraw/zinc/26/61/67/338266167.db2.gz HADXKNNLJIGGMF-CYBMUJFWSA-N 0 3 314.429 4.313 20 30 DIEDHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000437082621 338299852 /nfs/dbraw/zinc/29/98/52/338299852.db2.gz CWEPEEVMBIRGOP-IINYFYTJSA-N 0 3 302.315 4.325 20 30 DIEDHN C=CCOc1ccc(CN[C@H](CC(F)(F)F)C(C)C)cc1 ZINC000438483748 338345629 /nfs/dbraw/zinc/34/56/29/338345629.db2.gz FLGYXJFJIYDXAZ-OAHLLOKOSA-N 0 3 301.352 4.318 20 30 DIEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454221 338369941 /nfs/dbraw/zinc/36/99/41/338369941.db2.gz RJZVKWDVPXNHSP-CABCVRRESA-N 0 3 308.878 4.318 20 30 DIEDHN COc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)ccc1C#N ZINC000440826618 338398348 /nfs/dbraw/zinc/39/83/48/338398348.db2.gz UXTUYDOJOXLOSR-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN CCOc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000442779276 338430710 /nfs/dbraw/zinc/43/07/10/338430710.db2.gz LTBBFSXYILSDJB-LDQXTDLNSA-N 0 3 320.436 4.457 20 30 DIEDHN N#C[C@H]1CC[C@H](NCCOc2ccccc2-c2ccccc2)C1 ZINC000442781865 338430805 /nfs/dbraw/zinc/43/08/05/338430805.db2.gz KEGKICQFSKWUMG-WMZOPIPTSA-N 0 3 306.409 4.014 20 30 DIEDHN COc1cccc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)c1 ZINC000442794355 338432012 /nfs/dbraw/zinc/43/20/12/338432012.db2.gz QBOOKPKUVQIXSV-QFBILLFUSA-N 0 3 306.409 4.144 20 30 DIEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000447537234 338555148 /nfs/dbraw/zinc/55/51/48/338555148.db2.gz UFCQKBGMYAGPPH-ZWKOTPCHSA-N 0 3 310.445 4.101 20 30 DIEDHN C=CCC[C@H](NCc1nc(C)c(Br)s1)C1CC1 ZINC000453273416 338817197 /nfs/dbraw/zinc/81/71/97/338817197.db2.gz WAXHATDUCJLZSB-NSHDSACASA-N 0 3 315.280 4.048 20 30 DIEDHN C=CCC[C@H](N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccco1 ZINC000453362524 338831944 /nfs/dbraw/zinc/83/19/44/338831944.db2.gz QSFIZQRGNBEMSO-JENIJYKNSA-N 0 3 312.413 4.192 20 30 DIEDHN Cc1cc(Br)c(CNCC(C)(C)CCC#N)s1 ZINC000453600766 338850044 /nfs/dbraw/zinc/85/00/44/338850044.db2.gz QTGNFQKDTUVUIY-UHFFFAOYSA-N 0 3 315.280 4.239 20 30 DIEDHN CCOc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1O ZINC000459305833 339020575 /nfs/dbraw/zinc/02/05/75/339020575.db2.gz QULIKCXHZFZRDV-UHFFFAOYSA-N 0 3 324.424 4.073 20 30 DIEDHN C=CCCc1ccccc1NC1CCN(c2ccncc2)CC1 ZINC000459527699 339034197 /nfs/dbraw/zinc/03/41/97/339034197.db2.gz KFOWVRQIGSGRMU-UHFFFAOYSA-N 0 3 307.441 4.281 20 30 DIEDHN CCC1(CC)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459576532 339036921 /nfs/dbraw/zinc/03/69/21/339036921.db2.gz FBKGPUOUPMZPRN-UHFFFAOYSA-N 0 3 322.456 4.086 20 30 DIEDHN CC[C@@H](CC#N)N[C@@H](CC)CCc1ccc(Br)cc1 ZINC000462057224 339071592 /nfs/dbraw/zinc/07/15/92/339071592.db2.gz JAHOMQBOFWSQRG-HOTGVXAUSA-N 0 3 323.278 4.442 20 30 DIEDHN CC[C@H](CC#N)N[C@@H](CC)CCc1ccc(Br)cc1 ZINC000462057687 339071618 /nfs/dbraw/zinc/07/16/18/339071618.db2.gz JAHOMQBOFWSQRG-JKSUJKDBSA-N 0 3 323.278 4.442 20 30 DIEDHN C=CCN(CCCc1ccncc1)Cc1ccc(Cl)s1 ZINC000462310242 339075436 /nfs/dbraw/zinc/07/54/36/339075436.db2.gz FZBYEZMOJVURIZ-UHFFFAOYSA-N 0 3 306.862 4.417 20 30 DIEDHN C=CCOc1cccc(CNC[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000462737669 339085815 /nfs/dbraw/zinc/08/58/15/339085815.db2.gz JRAFIFYDWILQFX-QGZVFWFLSA-N 0 3 311.425 4.117 20 30 DIEDHN N#Cc1ccc(OCCNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000462768021 339087630 /nfs/dbraw/zinc/08/76/30/339087630.db2.gz UIYZUEFSKONXIT-UHFFFAOYSA-N 0 3 321.207 4.034 20 30 DIEDHN CC(C)C[C@H](C)Oc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000463280614 339113063 /nfs/dbraw/zinc/11/30/63/339113063.db2.gz DVKINKGZNBBYPA-JZXOWHBKSA-N 0 3 315.461 4.067 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000463281115 339113208 /nfs/dbraw/zinc/11/32/08/339113208.db2.gz JZNRTELOPXLUBK-VQTJNVASSA-N 0 3 320.436 4.438 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292610 339113830 /nfs/dbraw/zinc/11/38/30/339113830.db2.gz WPNWUDKJRQVLLF-WOJBJXKFSA-N 0 3 320.436 4.438 20 30 DIEDHN Cc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000464411163 339141591 /nfs/dbraw/zinc/14/15/91/339141591.db2.gz LBXWYDSMSYKYTK-CQSZACIVSA-N 0 3 318.298 4.207 20 30 DIEDHN N#CC(C(=O)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464465781 339142812 /nfs/dbraw/zinc/14/28/12/339142812.db2.gz KDPBIDFEZLMVDX-GFCCVEGCSA-N 0 3 324.689 4.244 20 30 DIEDHN N#CC(C(=O)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464465783 339142818 /nfs/dbraw/zinc/14/28/18/339142818.db2.gz KDPBIDFEZLMVDX-LBPRGKRZSA-N 0 3 324.689 4.244 20 30 DIEDHN Cc1ccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464480649 339143134 /nfs/dbraw/zinc/14/31/34/339143134.db2.gz ZJMUJXFRWBWPHQ-CQSZACIVSA-N 0 3 318.298 4.207 20 30 DIEDHN C[C@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000464855864 339158334 /nfs/dbraw/zinc/15/83/34/339158334.db2.gz HWIVBGSJVGHEQU-MAUKXSAKSA-N 0 3 310.397 4.003 20 30 DIEDHN C=CCCN(C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000467389369 339236322 /nfs/dbraw/zinc/23/63/22/339236322.db2.gz QIORPFBZZUZRKN-UHFFFAOYSA-N 0 3 317.454 4.344 20 30 DIEDHN CC(C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467681228 339244357 /nfs/dbraw/zinc/24/43/57/339244357.db2.gz PRTAYRCFGBHVMU-MLGOLLRUSA-N 0 3 304.821 4.189 20 30 DIEDHN C=CCC(CC=C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000467821934 339246957 /nfs/dbraw/zinc/24/69/57/339246957.db2.gz HOMOYUJPGSAYSD-UHFFFAOYSA-N 0 3 300.446 4.235 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)ccc1F ZINC000468267857 339258198 /nfs/dbraw/zinc/25/81/98/339258198.db2.gz KDHAQJKGQHLNGR-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN C/C=C/COc1ccc(CC[C@H](C)N[C@@H](CC)CC#N)cc1 ZINC000468475657 339263669 /nfs/dbraw/zinc/26/36/69/339263669.db2.gz OAXJTIDKYMUDNG-AHLJCKCYSA-N 0 3 300.446 4.244 20 30 DIEDHN C=CCOCCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000470728252 339326306 /nfs/dbraw/zinc/32/63/06/339326306.db2.gz ZXXJPAZOLXBUJZ-KRWDZBQOSA-N 0 3 319.495 4.350 20 30 DIEDHN CC(C)Oc1ccc2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000472136868 339363876 /nfs/dbraw/zinc/36/38/76/339363876.db2.gz QZMCKTVKSHUMNL-DOTOQJQBSA-N 0 3 308.425 4.409 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000472137897 339363982 /nfs/dbraw/zinc/36/39/82/339363982.db2.gz GSKYFIOFSQVBJD-OALUTQOASA-N 0 3 306.409 4.047 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145084 339364155 /nfs/dbraw/zinc/36/41/55/339364155.db2.gz ASTGCWYERQTXQR-SJLPKXTDSA-N 0 3 324.399 4.187 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152530 339364557 /nfs/dbraw/zinc/36/45/57/339364557.db2.gz HDVVPJOVHLDETA-LPHOPBHVSA-N 0 3 324.399 4.187 20 30 DIEDHN CC(C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000472407132 339371585 /nfs/dbraw/zinc/37/15/85/339371585.db2.gz JPANYSJGKQIJTQ-BLLLJJGKSA-N 0 3 304.821 4.237 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCCC1(C)C ZINC000472600406 339374869 /nfs/dbraw/zinc/37/48/69/339374869.db2.gz KVOXSGNSOXVLGT-MRXNPFEDSA-N 0 3 318.486 4.072 20 30 DIEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744736 339376541 /nfs/dbraw/zinc/37/65/41/339376541.db2.gz DBZLJBRCUWIMMR-WFASDCNBSA-N 0 3 301.352 4.025 20 30 DIEDHN C[C@H](CNCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000479576355 339541932 /nfs/dbraw/zinc/54/19/32/339541932.db2.gz HCJZXHGOMNEZNU-SSDOTTSWSA-N 0 3 303.221 4.133 20 30 DIEDHN C[C@H](CCCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1F ZINC000480656750 339580311 /nfs/dbraw/zinc/58/03/11/339580311.db2.gz CLKKNTMVYDXVHM-GHMZBOCLSA-N 0 3 302.315 4.469 20 30 DIEDHN N#Cc1ccccc1CSCCNCc1ccsc1Cl ZINC000480657300 339581312 /nfs/dbraw/zinc/58/13/12/339581312.db2.gz GOASRZYCSKPEGS-UHFFFAOYSA-N 0 3 322.886 4.296 20 30 DIEDHN C[C@H](NCc1ccc(OCC2CC2)cc1)c1ccc(C#N)cc1 ZINC000480655518 339581419 /nfs/dbraw/zinc/58/14/19/339581419.db2.gz XAVZNKRYBWFEBG-HNNXBMFYSA-N 0 3 306.409 4.198 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cccc(C#N)c1 ZINC000481372758 339602643 /nfs/dbraw/zinc/60/26/43/339602643.db2.gz GAPSOHONYXYALZ-SCLBCKFNSA-N 0 3 314.816 4.077 20 30 DIEDHN C=C(C)[C@@H](NCCCc1ccncc1)c1ccc(F)c(F)c1 ZINC000481613502 339607741 /nfs/dbraw/zinc/60/77/41/339607741.db2.gz VYHYBCDNEJKVMP-GOSISDBHSA-N 0 3 302.368 4.199 20 30 DIEDHN Cc1cccc(NC2CCN(Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000488106503 339770465 /nfs/dbraw/zinc/77/04/65/339770465.db2.gz PBIGMUODNVDZJS-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN N#Cc1cccc(C2(NCc3ccc4c(c3)CCCC4)CC2)c1 ZINC000491363491 339859454 /nfs/dbraw/zinc/85/94/54/339859454.db2.gz VDBUDGWQFVPRHM-UHFFFAOYSA-N 0 3 302.421 4.216 20 30 DIEDHN C=CCCCCCN(C)Cc1ccc(Oc2ccccc2)nn1 ZINC000499054930 340028818 /nfs/dbraw/zinc/02/88/18/340028818.db2.gz KQIGETPJVUPGCZ-UHFFFAOYSA-N 0 3 311.429 4.447 20 30 DIEDHN COc1cc(CN[C@@H](c2ccc(F)cc2)C(C)C)ccc1C#N ZINC000500503734 340060841 /nfs/dbraw/zinc/06/08/41/340060841.db2.gz PIDRAYMOUYNEGI-LJQANCHMSA-N 0 3 312.388 4.193 20 30 DIEDHN COc1cc(C#N)ccc1CNC1(c2cccc(C)c2)CCCC1 ZINC000501217376 340076434 /nfs/dbraw/zinc/07/64/34/340076434.db2.gz KRJNRYWYDULLLT-UHFFFAOYSA-N 0 3 320.436 4.434 20 30 DIEDHN CC[C@@H]1C[C@]1(NCc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512783 340106558 /nfs/dbraw/zinc/10/65/58/340106558.db2.gz SEHMRDZVUYUWDW-TZIWHRDSSA-N 0 3 304.437 4.476 20 30 DIEDHN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000502539085 340107176 /nfs/dbraw/zinc/10/71/76/340107176.db2.gz DPMKRZYLJZZRJA-SFHVURJKSA-N 0 3 300.352 4.323 20 30 DIEDHN COc1ccc(C)cc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549024 340107431 /nfs/dbraw/zinc/10/74/31/340107431.db2.gz RTNJYRKJHDKEAZ-UHFFFAOYSA-N 0 3 318.420 4.165 20 30 DIEDHN CC[C@@H]1C[C@@]1(NCc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598028 340108832 /nfs/dbraw/zinc/10/88/32/340108832.db2.gz YNHCEICDNINAEV-XLIONFOSSA-N 0 3 308.400 4.421 20 30 DIEDHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1C ZINC000505765762 340176976 /nfs/dbraw/zinc/17/69/76/340176976.db2.gz HWCRWQPNLNGHQI-CQSZACIVSA-N 0 3 321.405 4.159 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000505871747 340180164 /nfs/dbraw/zinc/18/01/64/340180164.db2.gz GTVGRFHAFXSUIW-UHFFFAOYSA-N 0 3 317.351 4.034 20 30 DIEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2ccccc2)cc1OC ZINC000506026522 340183669 /nfs/dbraw/zinc/18/36/69/340183669.db2.gz LMXAHSQOXICNJQ-INIZCTEOSA-N 0 3 311.425 4.453 20 30 DIEDHN CC1(C#N)CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC000506051335 340184323 /nfs/dbraw/zinc/18/43/23/340184323.db2.gz JNZFLUVMDKDGPC-UHFFFAOYSA-N 0 3 308.425 4.234 20 30 DIEDHN C=CCOc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000506310720 340191901 /nfs/dbraw/zinc/19/19/01/340191901.db2.gz PFEIXMGXPTYHHZ-UHFFFAOYSA-N 0 3 321.420 4.246 20 30 DIEDHN CCN(Cc1cc(C#N)cs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506414419 340194217 /nfs/dbraw/zinc/19/42/17/340194217.db2.gz DTKRUYVQHHDHDU-AWEZNQCLSA-N 0 3 314.454 4.081 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)s1)Cc1ccc(C#N)cc1 ZINC000507734403 340229877 /nfs/dbraw/zinc/22/98/77/340229877.db2.gz WRYPMZAVDAFHHX-UHFFFAOYSA-N 0 3 309.438 4.150 20 30 DIEDHN C[C@@H](c1ccc(F)cc1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817592 340233065 /nfs/dbraw/zinc/23/30/65/340233065.db2.gz CEUBYGRHXVHPLF-HNNXBMFYSA-N 0 3 324.399 4.302 20 30 DIEDHN C=C(C)CCc1noc(-c2ccc(CN(CC)C3CC3)cc2)n1 ZINC000508606230 340247727 /nfs/dbraw/zinc/24/77/27/340247727.db2.gz VSPXLWDPXLROCH-UHFFFAOYSA-N 0 3 311.429 4.230 20 30 DIEDHN CCN(Cc1ccccc1N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605314 340247873 /nfs/dbraw/zinc/24/78/73/340247873.db2.gz QURBTDYWNDWZAF-INIZCTEOSA-N 0 3 307.441 4.207 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000508610404 340248155 /nfs/dbraw/zinc/24/81/55/340248155.db2.gz XDFDWGHLIJQNJA-UHFFFAOYSA-N 0 3 323.396 4.187 20 30 DIEDHN COc1ccccc1[C@H]1CC[C@H](C)CN1CCC(C)(C)C#N ZINC000510240415 340293784 /nfs/dbraw/zinc/29/37/84/340293784.db2.gz JNEVNRBKPIWHSM-DOTOQJQBSA-N 0 3 300.446 4.408 20 30 DIEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCC(C)(C)C#N ZINC000510240417 340293802 /nfs/dbraw/zinc/29/38/02/340293802.db2.gz JNEVNRBKPIWHSM-RDJZCZTQSA-N 0 3 300.446 4.408 20 30 DIEDHN C=CCOc1ccc(CN2CCC(OCCC(C)C)CC2)cc1 ZINC000510534850 340302038 /nfs/dbraw/zinc/30/20/38/340302038.db2.gz SEFRVRSLNKSZNS-UHFFFAOYSA-N 0 3 317.473 4.279 20 30 DIEDHN N#CC1(F)CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000510888205 340313923 /nfs/dbraw/zinc/31/39/23/340313923.db2.gz UWQQTAYZCYCGPT-UHFFFAOYSA-N 0 3 300.421 4.288 20 30 DIEDHN C=CCN(Cc1cccc(NC(C)=O)c1)CC1CCCCC1 ZINC000303436680 340325431 /nfs/dbraw/zinc/32/54/31/340325431.db2.gz GKRGTOCBKUFWRD-UHFFFAOYSA-N 0 3 300.446 4.213 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2cc[nH]c21 ZINC000512069852 340347632 /nfs/dbraw/zinc/34/76/32/340347632.db2.gz ZDTJAHHGCVAEFV-UHFFFAOYSA-N 0 3 301.393 4.228 20 30 DIEDHN C=C(C)CNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000512395649 340360334 /nfs/dbraw/zinc/36/03/34/340360334.db2.gz YSRNKTVGQBRCES-UHFFFAOYSA-N 0 3 323.259 4.238 20 30 DIEDHN CCC(CC)[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000512614233 340369112 /nfs/dbraw/zinc/36/91/12/340369112.db2.gz VHEPZDRJJSKOGG-SCLBCKFNSA-N 0 3 306.425 4.189 20 30 DIEDHN Cc1cccc2c(CCN[C@@H](C)c3ccc(C#N)cc3F)c[nH]c21 ZINC000512625899 340369772 /nfs/dbraw/zinc/36/97/72/340369772.db2.gz QVYYAZVXNHDQJS-AWEZNQCLSA-N 0 3 321.399 4.380 20 30 DIEDHN Cc1ccc(C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643777 340370598 /nfs/dbraw/zinc/37/05/98/340370598.db2.gz YJOGWOUWVGWHNY-DGCLKSJQSA-N 0 3 302.418 4.349 20 30 DIEDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652777 340371134 /nfs/dbraw/zinc/37/11/34/340371134.db2.gz BJUXPAXPGMYBLT-NVXWUHKLSA-N 0 3 323.415 4.017 20 30 DIEDHN Cc1ccc(CC[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661182 340371728 /nfs/dbraw/zinc/37/17/28/340371728.db2.gz QHEBCRXMOHQURP-JSGCOSHPSA-N 0 3 300.377 4.271 20 30 DIEDHN N#Cc1csc(CNC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186434258 340512681 /nfs/dbraw/zinc/51/26/81/340512681.db2.gz FKGGYYGDUJOMKJ-AWEZNQCLSA-N 0 3 310.344 4.055 20 30 DIEDHN C=CC[C@H](C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000186635901 340514986 /nfs/dbraw/zinc/51/49/86/340514986.db2.gz FSDFAWPSQXIXAN-IBGZPJMESA-N 0 3 308.425 4.047 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000192365814 340566612 /nfs/dbraw/zinc/56/66/12/340566612.db2.gz WHTQJQFSNJOZEG-IBGZPJMESA-N 0 3 320.436 4.361 20 30 DIEDHN C=CC[C@@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627551 340605932 /nfs/dbraw/zinc/60/59/32/340605932.db2.gz MKBXBUCZWDWVAD-VQIMIIECSA-N 0 3 308.425 4.229 20 30 DIEDHN N#Cc1ccc(CN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000525272249 340698030 /nfs/dbraw/zinc/69/80/30/340698030.db2.gz GQCMQZSMFVTMSH-UHFFFAOYSA-N 0 3 312.457 4.120 20 30 DIEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccc(Cl)cc1Cl ZINC000538198313 340812977 /nfs/dbraw/zinc/81/29/77/340812977.db2.gz QHLYSIILIBZUOB-XHDPSFHLSA-N 0 3 302.245 4.219 20 30 DIEDHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507576 340829528 /nfs/dbraw/zinc/82/95/28/340829528.db2.gz NZKNXUQWISLPEI-XIKOKIGWSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1cc([C@@H](C)NCCC(C)(C)C#N)ccc1OC(C)C ZINC000538513080 340830314 /nfs/dbraw/zinc/83/03/14/340830314.db2.gz TXZPPFNGBGKIFT-CQSZACIVSA-N 0 3 304.434 4.073 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000540355129 340928309 /nfs/dbraw/zinc/92/83/09/340928309.db2.gz WSKNFWJYOBIYQS-HNNXBMFYSA-N 0 3 308.425 4.023 20 30 DIEDHN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(CC#N)cc1 ZINC000542211672 341000391 /nfs/dbraw/zinc/00/03/91/341000391.db2.gz KNWQJSZIXBYPHY-CYBMUJFWSA-N 0 3 300.352 4.224 20 30 DIEDHN C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(CC#N)cc2)C1 ZINC000542276942 341002938 /nfs/dbraw/zinc/00/29/38/341002938.db2.gz FIPWFJWUDBADGJ-FOIQADDNSA-N 0 3 308.400 4.475 20 30 DIEDHN C=C(C)CN[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000542518173 341011808 /nfs/dbraw/zinc/01/18/08/341011808.db2.gz OTSOLDGTPGQVAE-QGZVFWFLSA-N 0 3 308.416 4.046 20 30 DIEDHN C=CCN(CCCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC000542520881 341011941 /nfs/dbraw/zinc/01/19/41/341011941.db2.gz NWADSSJJSNRQCO-UHFFFAOYSA-N 0 3 320.436 4.153 20 30 DIEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000130329826 341017268 /nfs/dbraw/zinc/01/72/68/341017268.db2.gz WSPDWUNBWFVONG-LLVKDONJSA-N 0 3 306.818 4.003 20 30 DIEDHN N#CCC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000542849688 341023390 /nfs/dbraw/zinc/02/33/90/341023390.db2.gz GQJNMWFUNJHECA-UHFFFAOYSA-N 0 3 320.436 4.391 20 30 DIEDHN CC(C)(NCc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000543185974 341035824 /nfs/dbraw/zinc/03/58/24/341035824.db2.gz CQRIBLBFQFFUOO-UHFFFAOYSA-N 0 3 300.352 4.056 20 30 DIEDHN CC(C)Oc1cccc([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000543187712 341035992 /nfs/dbraw/zinc/03/59/92/341035992.db2.gz HMCLNPRSGSWSGX-INIZCTEOSA-N 0 3 308.425 4.391 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(-c2ccncc2)c1 ZINC000130769002 341042236 /nfs/dbraw/zinc/04/22/36/341042236.db2.gz LYDJFMGWDCQWJP-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000543487122 341047113 /nfs/dbraw/zinc/04/71/13/341047113.db2.gz KYZLDUOSUWCZSP-CVEARBPZSA-N 0 3 320.502 4.014 20 30 DIEDHN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(CC#N)CC1 ZINC000543811885 341060231 /nfs/dbraw/zinc/06/02/31/341060231.db2.gz XOUFUSWCOZCMRT-GFCCVEGCSA-N 0 3 312.335 4.272 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCCC2)c1 ZINC000544117909 341070793 /nfs/dbraw/zinc/07/07/93/341070793.db2.gz VGAGEHABMBZFLQ-KRWDZBQOSA-N 0 3 319.452 4.204 20 30 DIEDHN C[C@H](CCC(F)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000544370352 341078642 /nfs/dbraw/zinc/07/86/42/341078642.db2.gz JJYMGHCFHMDIGZ-LLVKDONJSA-N 0 3 323.280 4.378 20 30 DIEDHN C[C@@H](NCc1cccc(-c2cccnc2)c1)c1cccc(C#N)c1 ZINC000545941089 341147478 /nfs/dbraw/zinc/14/74/78/341147478.db2.gz HVXFMCSDBHRTDH-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000546228754 341158125 /nfs/dbraw/zinc/15/81/25/341158125.db2.gz VYMRUAAYEQWPLP-INIZCTEOSA-N 0 3 304.437 4.482 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000546918236 341186380 /nfs/dbraw/zinc/18/63/80/341186380.db2.gz VYMRUAAYEQWPLP-MRXNPFEDSA-N 0 3 304.437 4.482 20 30 DIEDHN C[C@H](CNCc1ccc(C#N)o1)c1c(Cl)cccc1Cl ZINC000237536393 341215336 /nfs/dbraw/zinc/21/53/36/341215336.db2.gz OBRFLQCMWCBHJO-SNVBAGLBSA-N 0 3 309.196 4.351 20 30 DIEDHN C=C(C)COCCNCc1ccc(-c2ccccc2OC)cc1 ZINC000134501411 341216395 /nfs/dbraw/zinc/21/63/95/341216395.db2.gz AZXRMBQDOKEIKY-UHFFFAOYSA-N 0 3 311.425 4.045 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000078970252 341250790 /nfs/dbraw/zinc/25/07/90/341250790.db2.gz MGAMIDBRHGBGQB-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000080378394 341273290 /nfs/dbraw/zinc/27/32/90/341273290.db2.gz PLTJIEPAXYWRHB-CQSZACIVSA-N 0 3 314.410 4.119 20 30 DIEDHN C[C@H](C1CCCCC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000549159865 341287415 /nfs/dbraw/zinc/28/74/15/341287415.db2.gz YFKMUURLQOAMAN-CQSZACIVSA-N 0 3 324.428 4.009 20 30 DIEDHN CSc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000549169490 341287792 /nfs/dbraw/zinc/28/77/92/341287792.db2.gz ZINNBYHYCCQRMR-AWEZNQCLSA-N 0 3 312.438 4.010 20 30 DIEDHN C=CCCCCCN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000549380898 341292753 /nfs/dbraw/zinc/29/27/53/341292753.db2.gz DCEIZVRIKFAGSZ-UHFFFAOYSA-N 0 3 314.473 4.101 20 30 DIEDHN CC[C@@H](CC#N)NCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000549377668 341292778 /nfs/dbraw/zinc/29/27/78/341292778.db2.gz MYVWMQJAXQQJGQ-SFHVURJKSA-N 0 3 314.379 4.379 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709694 341300996 /nfs/dbraw/zinc/30/09/96/341300996.db2.gz NGPNRAVQYFITDE-WPGHFRTFSA-N 0 3 324.346 4.318 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709695 341301046 /nfs/dbraw/zinc/30/10/46/341301046.db2.gz NGPNRAVQYFITDE-XFJVYGCCSA-N 0 3 324.346 4.318 20 30 DIEDHN CC(F)(F)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000550857838 341324736 /nfs/dbraw/zinc/32/47/36/341324736.db2.gz ZUJYWPVBSWUZRH-SFHVURJKSA-N 0 3 312.363 4.447 20 30 DIEDHN CCOC1(CN[C@@H](C)c2ccc(C#N)cc2Cl)CCCC1 ZINC000550885523 341325530 /nfs/dbraw/zinc/32/55/30/341325530.db2.gz ICMMTYHNKAQIFG-ZDUSSCGKSA-N 0 3 306.837 4.212 20 30 DIEDHN Cc1cc(C(C)(C)C)cc(C)c1CCNC[C@@H](C#N)CCC#N ZINC000551909765 341354760 /nfs/dbraw/zinc/35/47/60/341354760.db2.gz QFYSXFZSASRWPT-QGZVFWFLSA-N 0 3 311.473 4.177 20 30 DIEDHN C=CCC[C@H](NC[C@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249032 341381302 /nfs/dbraw/zinc/38/13/02/341381302.db2.gz ZWUGIQGQAACIGY-YJBOKZPZSA-N 0 3 315.413 4.353 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCCc3ccc(OC)cc32)cc1 ZINC000552319843 341386126 /nfs/dbraw/zinc/38/61/26/341386126.db2.gz QRJHYWYJCIEYKG-OAQYLSRUSA-N 0 3 323.436 4.427 20 30 DIEDHN N#Cc1ccc(CNC2CC(c3ccccc3Cl)C2)s1 ZINC000553843295 341436965 /nfs/dbraw/zinc/43/69/65/341436965.db2.gz HIXFTVFDJBXOGW-UHFFFAOYSA-N 0 3 302.830 4.309 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000554975147 341471077 /nfs/dbraw/zinc/47/10/77/341471077.db2.gz DCVATZHTYXVZIA-UHFFFAOYSA-N 0 3 324.268 4.255 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000555420875 341482523 /nfs/dbraw/zinc/48/25/23/341482523.db2.gz PRCAAXMSJMOFOF-TXPKVOOTSA-N 0 3 321.424 4.003 20 30 DIEDHN N#CCC[C@@H](C#N)CNC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000567169743 341584011 /nfs/dbraw/zinc/58/40/11/341584011.db2.gz IVRTXZGRXUWVED-PZJWPPBQSA-N 0 3 317.436 4.046 20 30 DIEDHN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271505856 341623051 /nfs/dbraw/zinc/62/30/51/341623051.db2.gz RLMIGIFZRWUWRD-CVEARBPZSA-N 0 3 324.424 4.318 20 30 DIEDHN C=CCOc1cccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000573241168 341722038 /nfs/dbraw/zinc/72/20/38/341722038.db2.gz SBHUKHHUWPWGQH-NHCUHLMSSA-N 0 3 323.436 4.261 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000175978371 341854808 /nfs/dbraw/zinc/85/48/08/341854808.db2.gz XCYQOOYWLDULBM-APPDUMDISA-N 0 3 300.402 4.172 20 30 DIEDHN CC(C)n1cc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813169 341864266 /nfs/dbraw/zinc/86/42/66/341864266.db2.gz MRKBSTGWMCLXAD-QRWLVFNGSA-N 0 3 322.456 4.454 20 30 DIEDHN N#CCc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000577372655 341906458 /nfs/dbraw/zinc/90/64/58/341906458.db2.gz JVNWZDNROGMBOR-KRWDZBQOSA-N 0 3 312.413 4.218 20 30 DIEDHN C=CCC[C@@H](NC[C@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564706 341918202 /nfs/dbraw/zinc/91/82/02/341918202.db2.gz SJTHCBDRIRRPCY-QAPCUYQASA-N 0 3 317.454 4.426 20 30 DIEDHN COc1ccc([C@@H](NCc2cc(C#N)cs2)C(C)C)cc1 ZINC000177682070 341923542 /nfs/dbraw/zinc/92/35/42/341923542.db2.gz SACCIFGTKGYODW-KRWDZBQOSA-N 0 3 300.427 4.115 20 30 DIEDHN CC(C)c1nc([C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566137 519866242 /nfs/dbraw/zinc/86/62/42/519866242.db2.gz WFCZVWQMZIENJA-WMLDXEAASA-N 0 3 324.428 4.005 20 30 DIEDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072238 525596083 /nfs/dbraw/zinc/59/60/83/525596083.db2.gz ODGGWVZWTXHPOP-DJPFJPOOSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622946 525597398 /nfs/dbraw/zinc/59/73/98/525597398.db2.gz CANBHLLSEJAUIS-RYGJVYDSSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622874 525598177 /nfs/dbraw/zinc/59/81/77/525598177.db2.gz WDAZUMWUAROFIM-RYGJVYDSSA-N 0 3 306.409 4.129 20 30 DIEDHN C=CCCCCN(C)Cc1cccc(Br)c1OC ZINC001140155921 1046601350 /nfs/dbraw/zinc/60/13/50/1046601350.db2.gz NIKVFUWEZHSMJE-UHFFFAOYSA-N 0 3 312.251 4.246 20 30 DIEDHN C[C@H](NCCCCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856782010 1049106427 /nfs/dbraw/zinc/10/64/27/1049106427.db2.gz XGIMVEOBOIQVHK-VIFPVBQESA-N 0 3 305.731 4.098 20 30 DIEDHN C=CCCCCCCCCCN1CC(N2CCC(F)CC2)C1 ZINC001207898548 1035517581 /nfs/dbraw/zinc/51/75/81/1035517581.db2.gz BEKXPRGDBFYLLL-UHFFFAOYSA-N 0 3 310.501 4.411 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000034992798 1035521420 /nfs/dbraw/zinc/52/14/20/1035521420.db2.gz MAEZLVQOTIOING-ZDUSSCGKSA-N 0 3 300.789 4.093 20 30 DIEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[C@H]1c1ccccc1 ZINC000610216062 1035749219 /nfs/dbraw/zinc/74/92/19/1035749219.db2.gz HSNPSYBRRSJMBE-DNVCBOLYSA-N 0 3 308.400 4.323 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154325089 1035866403 /nfs/dbraw/zinc/86/64/03/1035866403.db2.gz DANKJSVJBPNVJJ-RDTXWAMCSA-N 0 3 322.408 4.131 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154324862 1035867561 /nfs/dbraw/zinc/86/75/61/1035867561.db2.gz DANKJSVJBPNVJJ-KBXCAEBGSA-N 0 3 322.408 4.131 20 30 DIEDHN Cc1c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331755 1035868302 /nfs/dbraw/zinc/86/83/02/1035868302.db2.gz KGQCSJDLHCISPB-KGLIPLIRSA-N 0 3 309.369 4.187 20 30 DIEDHN C=CCOc1ccccc1CN[C@H]1CCCc2c(OC)cccc21 ZINC000579913647 1036398968 /nfs/dbraw/zinc/39/89/68/1036398968.db2.gz SOVWQMHZMUDPNW-IBGZPJMESA-N 0 3 323.436 4.427 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H]1CCCc2c(OC)cccc21 ZINC000579913648 1036399690 /nfs/dbraw/zinc/39/96/90/1036399690.db2.gz SOVWQMHZMUDPNW-LJQANCHMSA-N 0 3 323.436 4.427 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(C#N)s1 ZINC000176972513 1036522377 /nfs/dbraw/zinc/52/23/77/1036522377.db2.gz SCOUJMDQWKZUBS-ZBEGNZNMSA-N 0 3 320.845 4.139 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(C#N)s1 ZINC000176972554 1036524531 /nfs/dbraw/zinc/52/45/31/1036524531.db2.gz SCOUJMDQWKZUBS-BDJLRTHQSA-N 0 3 320.845 4.139 20 30 DIEDHN C[C@H](NCc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000610345105 1036838093 /nfs/dbraw/zinc/83/80/93/1036838093.db2.gz RVPFQZQHBVYFFD-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OCC ZINC000610344899 1036838649 /nfs/dbraw/zinc/83/86/49/1036838649.db2.gz LFNXDPGKRLNJDZ-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(OC(F)F)cc1 ZINC000177682901 1036849932 /nfs/dbraw/zinc/84/99/32/1036849932.db2.gz KYLSUKDHSWJLLE-SNVBAGLBSA-N 0 3 308.353 4.072 20 30 DIEDHN C=CC[C@@H](Cc1ccccc1)n1cc(CNC2CCCCC2)nn1 ZINC000656458144 1037511159 /nfs/dbraw/zinc/51/11/59/1037511159.db2.gz YIYGQDVXUKMMFR-FQEVSTJZSA-N 0 3 324.472 4.060 20 30 DIEDHN C[C@@H](CCC#N)CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000602456674 1038013471 /nfs/dbraw/zinc/01/34/71/1038013471.db2.gz CEJBLKLONOLORV-RDJZCZTQSA-N 0 3 324.428 4.203 20 30 DIEDHN C[C@H](CCC#N)CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567644 1038041247 /nfs/dbraw/zinc/04/12/47/1038041247.db2.gz IZSNGMYPYUYTPW-KDOFPFPSSA-N 0 3 313.832 4.354 20 30 DIEDHN COc1ccc([C@@H](NC2CCC(C#N)CC2)c2ccco2)cc1 ZINC000602687000 1038067803 /nfs/dbraw/zinc/06/78/03/1038067803.db2.gz UDDNRPPCATXQKG-GSQSYGFSSA-N 0 3 310.397 4.050 20 30 DIEDHN Cc1[nH]c2ccccc2c1C1=CCN(CC2(CC#N)CC2)CC1 ZINC000602796241 1038089800 /nfs/dbraw/zinc/08/98/00/1038089800.db2.gz WQOSWLCAQFUSSH-UHFFFAOYSA-N 0 3 305.425 4.259 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Cc2nccs2)CC1 ZINC000602957272 1038116046 /nfs/dbraw/zinc/11/60/46/1038116046.db2.gz SCOKTPCWPCDXAY-CQSZACIVSA-N 0 3 311.454 4.030 20 30 DIEDHN Cc1nc2ccccc2n1CCCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602982336 1038117138 /nfs/dbraw/zinc/11/71/38/1038117138.db2.gz QULNDKMZTQFVBD-PKOBYXMFSA-N 0 3 324.472 4.139 20 30 DIEDHN C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787933 1038212089 /nfs/dbraw/zinc/21/20/89/1038212089.db2.gz RZWAXDWAMKNMHW-KGLIPLIRSA-N 0 3 315.417 4.141 20 30 DIEDHN CN(CCSc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000603581453 1038249574 /nfs/dbraw/zinc/24/95/74/1038249574.db2.gz PSYARZXDRHUCBV-UHFFFAOYSA-N 0 3 316.857 4.436 20 30 DIEDHN CCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341763718 1038265115 /nfs/dbraw/zinc/26/51/15/1038265115.db2.gz XXOVKUKAKTYPQG-HXUWFJFHSA-N 0 3 306.409 4.124 20 30 DIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC000599327819 1038269052 /nfs/dbraw/zinc/26/90/52/1038269052.db2.gz LTZAYEOFPSSLOE-QGZVFWFLSA-N 0 3 311.454 4.141 20 30 DIEDHN COc1cccc(C2(NCc3ccc(C)c(C#N)c3)CCC2)c1 ZINC000599480515 1038289112 /nfs/dbraw/zinc/28/91/12/1038289112.db2.gz DNBQEJQBUDKFIB-UHFFFAOYSA-N 0 3 306.409 4.044 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccnc2ccccc12 ZINC000535799713 1038341435 /nfs/dbraw/zinc/34/14/35/1038341435.db2.gz KUAIQKKHKSAEDX-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN C=CCC[C@H](NCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000341941925 1038356262 /nfs/dbraw/zinc/35/62/62/1038356262.db2.gz INOZAVBQIFWXSN-LMMKCTJWSA-N 0 3 314.473 4.073 20 30 DIEDHN Cc1cc(F)ccc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535840988 1038391719 /nfs/dbraw/zinc/39/17/19/1038391719.db2.gz RGQCFLUMVUKFIH-UHFFFAOYSA-N 0 3 306.384 4.295 20 30 DIEDHN CN(Cc1ccccc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521409 1038418253 /nfs/dbraw/zinc/41/82/53/1038418253.db2.gz IKRMKJICMVCTDP-RTWAWAEBSA-N 0 3 320.436 4.158 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000604492754 1038420615 /nfs/dbraw/zinc/42/06/15/1038420615.db2.gz RFKRJIYSISVLKC-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2ccnc(C#N)c2)cc1 ZINC000610993533 1038423345 /nfs/dbraw/zinc/42/33/45/1038423345.db2.gz WLHNYZVPYIGTAD-UZLBHIALSA-N 0 3 305.425 4.235 20 30 DIEDHN CC1(C)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538736171 1038491042 /nfs/dbraw/zinc/49/10/42/1038491042.db2.gz FROXFVMUOIMQSH-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN CC(C)Oc1ccccc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000539224298 1038542633 /nfs/dbraw/zinc/54/26/33/1038542633.db2.gz BHIIPKXTAHOHTA-INIZCTEOSA-N 0 3 324.424 4.075 20 30 DIEDHN CC(C)(Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000172314171 1038573817 /nfs/dbraw/zinc/57/38/17/1038573817.db2.gz CUCTWJDSCONNCV-HNNXBMFYSA-N 0 3 318.376 4.273 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000234938145 1038576775 /nfs/dbraw/zinc/57/67/75/1038576775.db2.gz JAFNUKYVORXBGI-LBPRGKRZSA-N 0 3 300.789 4.071 20 30 DIEDHN COc1cc(CN(Cc2cccs2)C(C)C)ccc1C#N ZINC000234944666 1038586671 /nfs/dbraw/zinc/58/66/71/1038586671.db2.gz CPLZXPRQGNDUGK-UHFFFAOYSA-N 0 3 300.427 4.039 20 30 DIEDHN C[C@@H](Cc1ccccc1F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000172661580 1038632396 /nfs/dbraw/zinc/63/23/96/1038632396.db2.gz QCEASMZPJVTUQO-GXTWGEPZSA-N 0 3 322.339 4.022 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000606902298 1038637955 /nfs/dbraw/zinc/63/79/55/1038637955.db2.gz ZYKIVNCMSPEZBF-OAHLLOKOSA-N 0 3 322.880 4.195 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(Br)s1 ZINC000657529633 1038767191 /nfs/dbraw/zinc/76/71/91/1038767191.db2.gz FYMJCWNNYVKJMQ-QWRGUYRKSA-N 0 3 315.280 4.130 20 30 DIEDHN Cc1cc(F)cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000076767889 1038848041 /nfs/dbraw/zinc/84/80/41/1038848041.db2.gz JUUWFAQVKYWWCS-ZDUSSCGKSA-N 0 3 322.261 4.038 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1 ZINC000237509264 1038912970 /nfs/dbraw/zinc/91/29/70/1038912970.db2.gz VZZUZBORWRZKBD-OAHLLOKOSA-N 0 3 305.377 4.296 20 30 DIEDHN C=CCC1(NCc2cc(Cl)sc2Cl)CCOCC1 ZINC000657635119 1038929780 /nfs/dbraw/zinc/92/97/80/1038929780.db2.gz WBTQVIIYSDZPSW-UHFFFAOYSA-N 0 3 306.258 4.270 20 30 DIEDHN C[C@H](CN(C)Cc1cn2ccccc2c1C#N)c1ccccc1 ZINC000608976705 1038949738 /nfs/dbraw/zinc/94/97/38/1038949738.db2.gz IPUBHSFURWHFBF-MRXNPFEDSA-N 0 3 303.409 4.046 20 30 DIEDHN CCN(CC)Cc1cccc(NCc2ccccc2C#N)c1F ZINC001167636984 1039029426 /nfs/dbraw/zinc/02/94/26/1039029426.db2.gz AVDZCHOCUJSSON-UHFFFAOYSA-N 0 3 311.404 4.151 20 30 DIEDHN C=CCN(Cc1ccc(COC)cc1)Cc1ccc(OC)cc1 ZINC000534344683 1039034251 /nfs/dbraw/zinc/03/42/51/1039034251.db2.gz XWZIYXCKPTVYBH-UHFFFAOYSA-N 0 3 311.425 4.030 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000161498311 1039092510 /nfs/dbraw/zinc/09/25/10/1039092510.db2.gz VGNQUOHRTZHRCV-INIZCTEOSA-N 0 3 310.441 4.168 20 30 DIEDHN COCCCCN(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000120100260 1039111278 /nfs/dbraw/zinc/11/12/78/1039111278.db2.gz ZYHRVKJFCIPFQQ-UHFFFAOYSA-N 0 3 314.454 4.049 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170864 1039243211 /nfs/dbraw/zinc/24/32/11/1039243211.db2.gz CKLXKOWJTMFANK-KSSFIOAISA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000064140937 1039313517 /nfs/dbraw/zinc/31/35/17/1039313517.db2.gz NRAZFBCTSNIMNX-CYBMUJFWSA-N 0 3 316.351 4.353 20 30 DIEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342368 1039481708 /nfs/dbraw/zinc/48/17/08/1039481708.db2.gz BBEPBSYAHIKGBB-NXEZZACHSA-N 0 3 306.208 4.110 20 30 DIEDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000278611033 1039590708 /nfs/dbraw/zinc/59/07/08/1039590708.db2.gz FRAKLZAEYWZELS-SFHVURJKSA-N 0 3 311.404 4.004 20 30 DIEDHN CCOc1cc(CN[C@H](CC)c2ccc(C#N)cc2)ccc1OC ZINC000278649510 1039620072 /nfs/dbraw/zinc/62/00/72/1039620072.db2.gz HZOVNQDCABUHLS-GOSISDBHSA-N 0 3 324.424 4.206 20 30 DIEDHN CCOCc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271901070 1039873637 /nfs/dbraw/zinc/87/36/37/1039873637.db2.gz AOGNRPQFLDHTHK-CQSZACIVSA-N 0 3 312.388 4.085 20 30 DIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152012500 1039940730 /nfs/dbraw/zinc/94/07/30/1039940730.db2.gz PTYSVRJATUILHS-LSDHHAIUSA-N 0 3 323.440 4.356 20 30 DIEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179201176 1040057300 /nfs/dbraw/zinc/05/73/00/1040057300.db2.gz GCKRHECRTFBAGC-HNNXBMFYSA-N 0 3 319.408 4.022 20 30 DIEDHN C=CCCC1(C[NH2+][C@H](c2cccs2)c2nnc[n-]2)CCCC1 ZINC000658098686 1040302241 /nfs/dbraw/zinc/30/22/41/1040302241.db2.gz PKDRBZIJLWBEJO-OAHLLOKOSA-N 0 3 316.474 4.072 20 30 DIEDHN COc1ccccc1[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000612073321 1040328113 /nfs/dbraw/zinc/32/81/13/1040328113.db2.gz MEOMWFVDBNDEIU-HXUWFJFHSA-N 0 3 320.436 4.488 20 30 DIEDHN C=C[C@H](CO)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000658334505 1040428918 /nfs/dbraw/zinc/42/89/18/1040428918.db2.gz KVJSMGMAZKDAME-JTDSTZFVSA-N 0 3 311.425 4.024 20 30 DIEDHN CCS[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C(C)C ZINC000177745791 1040765201 /nfs/dbraw/zinc/76/52/01/1040765201.db2.gz SGKAVMLWNHZQPJ-RISCZKNCSA-N 0 3 310.488 4.220 20 30 DIEDHN CCc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)s1 ZINC000580017201 1040779856 /nfs/dbraw/zinc/77/98/56/1040779856.db2.gz SEJXOBXPXRJAQO-GFCCVEGCSA-N 0 3 300.427 4.042 20 30 DIEDHN CC(C)(CC#N)CN[C@H]1CCc2sc(Br)cc21 ZINC000414167528 1040948584 /nfs/dbraw/zinc/94/85/84/1040948584.db2.gz PIIHBFZBJAECOE-JTQLQIEISA-N 0 3 313.264 4.027 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000809605785 1041192486 /nfs/dbraw/zinc/19/24/86/1041192486.db2.gz IRIZODSHRGIMOC-UHFFFAOYSA-N 0 3 307.290 4.116 20 30 DIEDHN C=C(Br)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000809616120 1041197915 /nfs/dbraw/zinc/19/79/15/1041197915.db2.gz JLCRFEQESASREH-SECBINFHSA-N 0 3 322.168 4.307 20 30 DIEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1 ZINC000809602673 1041202257 /nfs/dbraw/zinc/20/22/57/1041202257.db2.gz VLKUKRMBNCKKGW-INIZCTEOSA-N 0 3 323.436 4.316 20 30 DIEDHN C#Cc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000809627043 1041206919 /nfs/dbraw/zinc/20/69/19/1041206919.db2.gz OEUNMWVLWJUSHI-LJQANCHMSA-N 0 3 303.405 4.204 20 30 DIEDHN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C#N)s1 ZINC000188907413 1041271404 /nfs/dbraw/zinc/27/14/04/1041271404.db2.gz NSNQYTUWUMMXKN-UHFFFAOYSA-N 0 3 310.344 4.237 20 30 DIEDHN C[C@H](Nc1ccc(F)c(CN2CCCC2)c1)c1cccc(C#N)c1 ZINC001167709740 1041308252 /nfs/dbraw/zinc/30/82/52/1041308252.db2.gz WUHYOXDLHGUFJG-HNNXBMFYSA-N 0 3 323.415 4.466 20 30 DIEDHN C=C(CN[C@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810214111 1041338264 /nfs/dbraw/zinc/33/82/64/1041338264.db2.gz OSZQWGFEZJZBPZ-CYBMUJFWSA-N 0 3 317.230 4.208 20 30 DIEDHN C=CCOCCN[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000311722665 1041339714 /nfs/dbraw/zinc/33/97/14/1041339714.db2.gz MNLIBDHPLNUHMJ-NSHDSACASA-N 0 3 324.218 4.049 20 30 DIEDHN N#Cc1cc(Br)ccc1CN(C1CC1)C1CCCC1 ZINC000563734398 1041386461 /nfs/dbraw/zinc/38/64/61/1041386461.db2.gz RQYUBDLNOONAQE-UHFFFAOYSA-N 0 3 319.246 4.228 20 30 DIEDHN Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)s1 ZINC000810536825 1041404192 /nfs/dbraw/zinc/40/41/92/1041404192.db2.gz UOBAUVADVKRAAP-ZDUSSCGKSA-N 0 3 310.378 4.007 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000728712129 1041476347 /nfs/dbraw/zinc/47/63/47/1041476347.db2.gz VBSDQQFTTFMJNX-IFXJQAMLSA-N 0 3 324.449 4.055 20 30 DIEDHN CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1OC ZINC000728712053 1041476913 /nfs/dbraw/zinc/47/69/13/1041476913.db2.gz WQHSPGWUNXCKEG-KXBFYZLASA-N 0 3 324.424 4.227 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)cc1C#N ZINC001170639542 1041547094 /nfs/dbraw/zinc/54/70/94/1041547094.db2.gz QGKNKXSICKJGJY-QEEYODRMSA-N 0 3 308.400 4.464 20 30 DIEDHN N#Cc1c(N)sc(CN2CC[C@H](C3CCCCC3)C2)c1Cl ZINC001141114077 1041595072 /nfs/dbraw/zinc/59/50/72/1041595072.db2.gz CYNLLOOIVURTFM-LBPRGKRZSA-N 0 3 323.893 4.258 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370262 1041666326 /nfs/dbraw/zinc/66/63/26/1041666326.db2.gz SFUAXHWASYEZRE-RNODOKPDSA-N 0 3 319.383 4.297 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375915 1041667515 /nfs/dbraw/zinc/66/75/15/1041667515.db2.gz ZXJKPIJDOOIGGZ-FZKQIMNGSA-N 0 3 322.408 4.001 20 30 DIEDHN COc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375913 1041667596 /nfs/dbraw/zinc/66/75/96/1041667596.db2.gz ZXJKPIJDOOIGGZ-ACJLOTCBSA-N 0 3 322.408 4.001 20 30 DIEDHN Cc1ccccc1[C@@H](NCc1ccc(C#N)cn1)C1CCCC1 ZINC000813868835 1041738223 /nfs/dbraw/zinc/73/82/23/1041738223.db2.gz MIXVVQZQWVBSOP-FQEVSTJZSA-N 0 3 305.425 4.283 20 30 DIEDHN C=C(C)CN1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001170784424 1041949672 /nfs/dbraw/zinc/94/96/72/1041949672.db2.gz UTLLYCLYZVOBPJ-ZIAGYGMSSA-N 0 3 312.379 4.181 20 30 DIEDHN C=CC[C@H](N[C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580820 1041965546 /nfs/dbraw/zinc/96/55/46/1041965546.db2.gz RKHSQTXQLRTYSV-OALUTQOASA-N 0 3 324.424 4.226 20 30 DIEDHN COc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)cc1C#N ZINC000815597364 1041971018 /nfs/dbraw/zinc/97/10/18/1041971018.db2.gz UQTRJZSEBNCYRX-AWEZNQCLSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCCCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817587294 1042118779 /nfs/dbraw/zinc/11/87/79/1042118779.db2.gz VTWMAICIQAMTCF-LBPRGKRZSA-N 0 3 315.280 4.303 20 30 DIEDHN CCCCCCCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC001167805131 1042154120 /nfs/dbraw/zinc/15/41/20/1042154120.db2.gz WVRKATMAVAUDDF-UHFFFAOYSA-N 0 3 318.505 4.260 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170916378 1042159361 /nfs/dbraw/zinc/15/93/61/1042159361.db2.gz CQFXUZXRZRPRQZ-GOSISDBHSA-N 0 3 322.839 4.127 20 30 DIEDHN C#C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091809 1042189975 /nfs/dbraw/zinc/18/99/75/1042189975.db2.gz SQKXBKYGNBXXLR-SJORKVTESA-N 0 3 303.833 4.096 20 30 DIEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000178552299 1042288174 /nfs/dbraw/zinc/28/81/74/1042288174.db2.gz MMERSMPYWWXSEL-JHJVBQTASA-N 0 3 322.389 4.178 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525427 1042288899 /nfs/dbraw/zinc/28/88/99/1042288899.db2.gz GQODFAGBKFWFMB-HOTGVXAUSA-N 0 3 319.408 4.042 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000236897651 1042407458 /nfs/dbraw/zinc/40/74/58/1042407458.db2.gz CLYKIEDHYHQCET-GOSISDBHSA-N 0 3 319.408 4.139 20 30 DIEDHN COc1cccc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614160397 1042418360 /nfs/dbraw/zinc/41/83/60/1042418360.db2.gz YWYKIESWHLHXMP-UHFFFAOYSA-N 0 3 308.425 4.128 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000614396079 1042489800 /nfs/dbraw/zinc/48/98/00/1042489800.db2.gz VBHVZBQQAHTGNE-UHFFFAOYSA-N 0 3 306.384 4.295 20 30 DIEDHN Cc1cc(C#N)ccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000614397600 1042489820 /nfs/dbraw/zinc/48/98/20/1042489820.db2.gz HVKUAHCNOIXSNU-UHFFFAOYSA-N 0 3 323.396 4.186 20 30 DIEDHN C=CCC[C@@H](NCCn1c(C)nc2ccccc21)c1ccco1 ZINC000513672070 1042558666 /nfs/dbraw/zinc/55/86/66/1042558666.db2.gz IMRWEKGLPPOMQT-QGZVFWFLSA-N 0 3 309.413 4.235 20 30 DIEDHN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000319677229 1042626495 /nfs/dbraw/zinc/62/64/95/1042626495.db2.gz ABSLKZGAXSDQLZ-HUUCEWRRSA-N 0 3 310.397 4.009 20 30 DIEDHN COCCC[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000421869099 1042661427 /nfs/dbraw/zinc/66/14/27/1042661427.db2.gz DMDIDNXZOUWTIF-KRWDZBQOSA-N 0 3 318.417 4.016 20 30 DIEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513969740 1042765436 /nfs/dbraw/zinc/76/54/36/1042765436.db2.gz CAILUXGAFVORNA-SFHVURJKSA-N 0 3 314.816 4.031 20 30 DIEDHN C=CCC(C)(C)CN[C@H](C)c1ncc(Br)cc1F ZINC000515679048 1042831490 /nfs/dbraw/zinc/83/14/90/1042831490.db2.gz FFHLNYJTLBCUQJ-SNVBAGLBSA-N 0 3 315.230 4.236 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc2c(n1)CCC2)c1ccccc1 ZINC000516956127 1042860890 /nfs/dbraw/zinc/86/08/90/1042860890.db2.gz ZAGJEMIEXXTKLR-LJQANCHMSA-N 0 3 305.425 4.095 20 30 DIEDHN C=CCC[C@@H](NCc1cnc2onc(C)c2c1)c1ccccc1 ZINC000894358115 1042901183 /nfs/dbraw/zinc/90/11/83/1042901183.db2.gz DRUBIJZUYUEQGJ-GOSISDBHSA-N 0 3 307.397 4.328 20 30 DIEDHN CC(C)C(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173857657 1043054252 /nfs/dbraw/zinc/05/42/52/1043054252.db2.gz FUZHGTHWKMQHGP-OAHLLOKOSA-N 0 3 321.424 4.004 20 30 DIEDHN CC[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1c(C)noc1C ZINC000328869324 1043081113 /nfs/dbraw/zinc/08/11/13/1043081113.db2.gz PCENDFMQAVPPPF-HOTGVXAUSA-N 0 3 319.449 4.106 20 30 DIEDHN CC[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1c(C)noc1C ZINC000328869325 1043081217 /nfs/dbraw/zinc/08/12/17/1043081217.db2.gz PCENDFMQAVPPPF-JKSUJKDBSA-N 0 3 319.449 4.106 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)cc1 ZINC000120517661 1043085301 /nfs/dbraw/zinc/08/53/01/1043085301.db2.gz DGSMSHFZTWMAFD-YLJYHZDGSA-N 0 3 322.452 4.450 20 30 DIEDHN CC(C)(CNCc1ccc(C#N)o1)c1cccc(Cl)c1F ZINC000184528237 1043103362 /nfs/dbraw/zinc/10/33/62/1043103362.db2.gz LIHNOVZEHMKWRC-UHFFFAOYSA-N 0 3 306.768 4.011 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800132 1043144351 /nfs/dbraw/zinc/14/43/51/1043144351.db2.gz AELFXOFUVNFIOC-LSDHHAIUSA-N 0 3 312.388 4.448 20 30 DIEDHN CCCC[C@@H]1CCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698595 1043188150 /nfs/dbraw/zinc/18/81/50/1043188150.db2.gz RXMYFLXPHRRMPT-NVXWUHKLSA-N 0 3 324.428 4.057 20 30 DIEDHN CC(C)(CC#N)CN[C@@H](CCc1ccccc1)c1ccccn1 ZINC000866373085 1043193163 /nfs/dbraw/zinc/19/31/63/1043193163.db2.gz VGXSSNWSVRMFQM-IBGZPJMESA-N 0 3 307.441 4.285 20 30 DIEDHN C#CC[C@H](N[C@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146929 1043206497 /nfs/dbraw/zinc/20/64/97/1043206497.db2.gz ARZUNVDXOIJIAP-OALUTQOASA-N 0 3 309.384 4.176 20 30 DIEDHN C[C@@H](N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1F ZINC000866609695 1043232973 /nfs/dbraw/zinc/23/29/73/1043232973.db2.gz MYUDWPIRPSKLJP-WDBKCZKBSA-N 0 3 312.310 4.245 20 30 DIEDHN C=C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000179008481 1043265924 /nfs/dbraw/zinc/26/59/24/1043265924.db2.gz NOZNPXMXLSATSN-GOEBONIOSA-N 0 3 316.360 4.364 20 30 DIEDHN C=C(CN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000268799970 1043331448 /nfs/dbraw/zinc/33/14/48/1043331448.db2.gz GAKRGKZKNWRGAS-HNNXBMFYSA-N 0 3 324.424 4.018 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783783 1043418881 /nfs/dbraw/zinc/41/88/81/1043418881.db2.gz NZDAXOZTOXUCRB-SUMDDJOVSA-N 0 3 324.399 4.228 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783779 1043419229 /nfs/dbraw/zinc/41/92/29/1043419229.db2.gz NZDAXOZTOXUCRB-AYBZRNKSSA-N 0 3 324.399 4.228 20 30 DIEDHN COc1cc(CN(Cc2ccc(F)cc2)C(C)C)ccc1C#N ZINC000442815582 1043428418 /nfs/dbraw/zinc/42/84/18/1043428418.db2.gz VSTCBNIHFZORPE-UHFFFAOYSA-N 0 3 312.388 4.117 20 30 DIEDHN COc1cc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687295 1043463284 /nfs/dbraw/zinc/46/32/84/1043463284.db2.gz UBTCVHGMYAUDRB-KUHUBIRLSA-N 0 3 321.424 4.080 20 30 DIEDHN COc1cc(CN(C)C/C(C)=C\c2ccccc2)ccc1C#N ZINC000443066919 1043474551 /nfs/dbraw/zinc/47/45/51/1043474551.db2.gz IRMUAFRLHVGEII-WJDWOHSUSA-N 0 3 306.409 4.102 20 30 DIEDHN N#Cc1ccc(C2(NCc3cccc4c3NCCC4)CCC2)cc1 ZINC000895190154 1043555393 /nfs/dbraw/zinc/55/53/93/1043555393.db2.gz YXCZFXUGVQLEJT-UHFFFAOYSA-N 0 3 317.436 4.085 20 30 DIEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(Cl)cc1 ZINC000124957460 1043576204 /nfs/dbraw/zinc/57/62/04/1043576204.db2.gz BHBSEVVTVODLSK-KRWDZBQOSA-N 0 3 314.816 4.461 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926603011 1043606380 /nfs/dbraw/zinc/60/63/80/1043606380.db2.gz QRSZPMQQFASCAO-BUXKBTBVSA-N 0 3 310.372 4.131 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603079 1043606641 /nfs/dbraw/zinc/60/66/41/1043606641.db2.gz SJYJCZCAFBVGOJ-LIRRHRJNSA-N 0 3 320.440 4.208 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583272 1043621325 /nfs/dbraw/zinc/62/13/25/1043621325.db2.gz XMDVORXWRIMXKV-WOJBJXKFSA-N 0 3 306.384 4.352 20 30 DIEDHN Cc1cc(CNC(C)(C)c2cccc(C#N)c2)c2c(n1)CCCC2 ZINC000895330901 1043642008 /nfs/dbraw/zinc/64/20/08/1043642008.db2.gz YGWFHDLWTHLFNX-UHFFFAOYSA-N 0 3 319.452 4.165 20 30 DIEDHN CC(C)Cc1ccc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000895330692 1043642035 /nfs/dbraw/zinc/64/20/35/1043642035.db2.gz WIAHYPSSYVANFE-UHFFFAOYSA-N 0 3 307.441 4.177 20 30 DIEDHN Cc1ccc2ncc(CN[C@H](CCCC#N)c3ccccc3)n2c1 ZINC000353915907 1043656480 /nfs/dbraw/zinc/65/64/80/1043656480.db2.gz OHDJKJROHRLHOG-LJQANCHMSA-N 0 3 318.424 4.168 20 30 DIEDHN N#CCCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353912203 1043658016 /nfs/dbraw/zinc/65/80/16/1043658016.db2.gz FAQGGGJCDFQPLG-GOSISDBHSA-N 0 3 309.369 4.120 20 30 DIEDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1C#N ZINC000926966220 1043664951 /nfs/dbraw/zinc/66/49/51/1043664951.db2.gz IMHORXPIBJLSPA-BLLLJJGKSA-N 0 3 310.372 4.050 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769592 1043797216 /nfs/dbraw/zinc/79/72/16/1043797216.db2.gz LORNVNJBCZNTAO-OAHLLOKOSA-N 0 3 319.408 4.091 20 30 DIEDHN CN(CCCCC1(C#N)CCC1)Cc1cnn(-c2ccccc2)c1 ZINC000929184904 1043797388 /nfs/dbraw/zinc/79/73/88/1043797388.db2.gz NHTISSSFOPNYFM-UHFFFAOYSA-N 0 3 322.456 4.168 20 30 DIEDHN CC(=O)[C@](C#N)(CCN1CCC2(CCCC2)CC1)c1ccccc1 ZINC000878120937 1043848043 /nfs/dbraw/zinc/84/80/43/1043848043.db2.gz DWFFSXFCVNWFCD-OAQYLSRUSA-N 0 3 324.468 4.083 20 30 DIEDHN N#CC1CCC(CN2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000929872520 1043849910 /nfs/dbraw/zinc/84/99/10/1043849910.db2.gz HISIKICUNRYJQM-NGICGMGXSA-N 0 3 319.452 4.223 20 30 DIEDHN CC(=O)[C@](C#N)(CCN1CCCC2(CCCC2)C1)c1ccccc1 ZINC000878481310 1043895184 /nfs/dbraw/zinc/89/51/84/1043895184.db2.gz OHWNCVOZJXSMFS-OAQYLSRUSA-N 0 3 324.468 4.083 20 30 DIEDHN CN(Cc1cc(Br)ccc1C#N)C1CCCCC1 ZINC001141894955 1043919494 /nfs/dbraw/zinc/91/94/94/1043919494.db2.gz VYUAMEZQJDTUNI-UHFFFAOYSA-N 0 3 307.235 4.085 20 30 DIEDHN C/C=C\C[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879066602 1043940860 /nfs/dbraw/zinc/94/08/60/1043940860.db2.gz PVUVNDGHXOAXNJ-ZGYKYGCBSA-N 0 3 324.468 4.105 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1cc2cnccc2o1 ZINC000931565529 1044046880 /nfs/dbraw/zinc/04/68/80/1044046880.db2.gz QGCVCASPSAFKPU-CQSZACIVSA-N 0 3 305.381 4.167 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213807 1044110434 /nfs/dbraw/zinc/11/04/34/1044110434.db2.gz AUIKEGDNFGDLDR-IBGZPJMESA-N 0 3 318.420 4.403 20 30 DIEDHN C=C(CN[C@H]1CCCOc2ccc(OC)cc21)c1ccccc1 ZINC000346785251 1044140581 /nfs/dbraw/zinc/14/05/81/1044140581.db2.gz ZKFDXKHEDKVDOW-IBGZPJMESA-N 0 3 309.409 4.212 20 30 DIEDHN Cc1cc(CNCc2ccccc2N(C)C(C)C)ccc1C#N ZINC000444006687 1044150644 /nfs/dbraw/zinc/15/06/44/1044150644.db2.gz XZUMZOIMPURITP-UHFFFAOYSA-N 0 3 307.441 4.001 20 30 DIEDHN COc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)cc1C#N ZINC000129456862 1044152683 /nfs/dbraw/zinc/15/26/83/1044152683.db2.gz XCFYQMULIXPVCK-GOSISDBHSA-N 0 3 306.409 4.079 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN(Cc2cccs2)C2CC2)cc1 ZINC000130244584 1044196404 /nfs/dbraw/zinc/19/64/04/1044196404.db2.gz DKNGSIJXWGCYLH-AWEZNQCLSA-N 0 3 312.438 4.204 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCCC(F)(F)C1 ZINC000778173450 1044198090 /nfs/dbraw/zinc/19/80/90/1044198090.db2.gz KKNQAWFMFVFMGT-GFCCVEGCSA-N 0 3 313.775 4.020 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934560547 1044260219 /nfs/dbraw/zinc/26/02/19/1044260219.db2.gz LHSRMAJINWTSED-MRXNPFEDSA-N 0 3 322.456 4.023 20 30 DIEDHN C=CCCC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326858 1044272917 /nfs/dbraw/zinc/27/29/17/1044272917.db2.gz LXPDPCLVEQNAEE-MOPGFXCFSA-N 0 3 309.457 4.485 20 30 DIEDHN C=CCCC[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327369 1044273726 /nfs/dbraw/zinc/27/37/26/1044273726.db2.gz XCFKHSCDURSKSX-RTBURBONSA-N 0 3 309.457 4.485 20 30 DIEDHN C=CCCC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326860 1044274032 /nfs/dbraw/zinc/27/40/32/1044274032.db2.gz LXPDPCLVEQNAEE-RBUKOAKNSA-N 0 3 309.457 4.485 20 30 DIEDHN C=CCCC[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327366 1044274878 /nfs/dbraw/zinc/27/48/78/1044274878.db2.gz XCFKHSCDURSKSX-MOPGFXCFSA-N 0 3 309.457 4.485 20 30 DIEDHN CC(C)(CNCc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000563575178 1044283545 /nfs/dbraw/zinc/28/35/45/1044283545.db2.gz UWAZTWZROOMALO-UHFFFAOYSA-N 0 3 319.861 4.027 20 30 DIEDHN COc1cc(F)cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360658766 1044296838 /nfs/dbraw/zinc/29/68/38/1044296838.db2.gz UZOXUYVZPDZCKK-HXUWFJFHSA-N 0 3 324.399 4.263 20 30 DIEDHN CN(C)c1ccccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658669 1044296937 /nfs/dbraw/zinc/29/69/37/1044296937.db2.gz UPPKQVZPMVGGFI-HXUWFJFHSA-N 0 3 319.452 4.182 20 30 DIEDHN N#Cc1ccccc1OCCN1CCCCC[C@H]1c1ccco1 ZINC000523008137 1044305191 /nfs/dbraw/zinc/30/51/91/1044305191.db2.gz HYXHAAKXLUMTBF-KRWDZBQOSA-N 0 3 310.397 4.147 20 30 DIEDHN COc1ccc(CN[C@@H]2CC[C@@H](C)c3ccccc32)cc1C#N ZINC000132326682 1044322753 /nfs/dbraw/zinc/32/27/53/1044322753.db2.gz VFAAVGKLZMONOI-AUUYWEPGSA-N 0 3 306.409 4.295 20 30 DIEDHN C=CCCN(Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC001137196401 1044334156 /nfs/dbraw/zinc/33/41/56/1044334156.db2.gz CVALJLNZSIQZNE-UHFFFAOYSA-N 0 3 305.425 4.221 20 30 DIEDHN CCCCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000935623677 1044352104 /nfs/dbraw/zinc/35/21/04/1044352104.db2.gz GEUDWVDSDICFJF-IBGZPJMESA-N 0 3 316.489 4.128 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC001202612261 1044371669 /nfs/dbraw/zinc/37/16/69/1044371669.db2.gz UVKPCIMZMXSHEI-OAQYLSRUSA-N 0 3 323.411 4.395 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C(F)(F)F)cc1)CC2 ZINC000564420526 1044375261 /nfs/dbraw/zinc/37/52/61/1044375261.db2.gz YSWZOPCXLUCTCO-KRWDZBQOSA-N 0 3 316.326 4.354 20 30 DIEDHN Cc1cccc([C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000740530728 1044396247 /nfs/dbraw/zinc/39/62/47/1044396247.db2.gz ABPACWHDXPJLMF-ZFWWWQNUSA-N 0 3 304.349 4.116 20 30 DIEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C#N)cc1F ZINC000609916565 1044479647 /nfs/dbraw/zinc/47/96/47/1044479647.db2.gz XWSCKIZRIKOGBQ-CXAGYDPISA-N 0 3 312.363 4.214 20 30 DIEDHN CC[C@H](NCc1cnc2ccccc2c1)c1ccc(C#N)cc1 ZINC000566953920 1044530256 /nfs/dbraw/zinc/53/02/56/1044530256.db2.gz IHIOSMICRIPNMM-IBGZPJMESA-N 0 3 301.393 4.347 20 30 DIEDHN CC(C)(C#N)CCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000444690491 1044603195 /nfs/dbraw/zinc/60/31/95/1044603195.db2.gz SVZFKHIMHZLVQY-AWEZNQCLSA-N 0 3 306.400 4.474 20 30 DIEDHN CC[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000296595164 1044631620 /nfs/dbraw/zinc/63/16/20/1044631620.db2.gz VFDSXMVYGBJPAX-OAHLLOKOSA-N 0 3 319.330 4.213 20 30 DIEDHN COc1ccc2c(c1)[C@H](NCc1ccc(SC)c(C#N)c1)CC2 ZINC000886687681 1044681741 /nfs/dbraw/zinc/68/17/41/1044681741.db2.gz BXLHBAYZVWNCJT-GOSISDBHSA-N 0 3 324.449 4.066 20 30 DIEDHN C[C@H](Cc1ccc(Br)cc1)NC1(CC#N)CCCC1 ZINC001257561580 1044695403 /nfs/dbraw/zinc/69/54/03/1044695403.db2.gz QLFHIRFZGMKRLA-CYBMUJFWSA-N 0 3 321.262 4.196 20 30 DIEDHN C=CC[C@H](C)[C@H](C)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000475633214 1044803414 /nfs/dbraw/zinc/80/34/14/1044803414.db2.gz GEOKKGATTPDLGO-COPLHBTASA-N 0 3 302.245 4.217 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000475633220 1044804712 /nfs/dbraw/zinc/80/47/12/1044804712.db2.gz GEOKKGATTPDLGO-WDMOLILDSA-N 0 3 302.245 4.217 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccsc2)cc1 ZINC000372393183 1044913449 /nfs/dbraw/zinc/91/34/49/1044913449.db2.gz PTIAKGPHGCCRFN-KDOFPFPSSA-N 0 3 312.438 4.376 20 30 DIEDHN N#Cc1cccc(CN2CCC(OCC3CCCCC3)CC2)c1 ZINC000524756097 1044915450 /nfs/dbraw/zinc/91/54/50/1044915450.db2.gz ZUPVMGLQKQLVMH-UHFFFAOYSA-N 0 3 312.457 4.120 20 30 DIEDHN C[C@@H](CCC#N)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315938 1044995923 /nfs/dbraw/zinc/99/59/23/1044995923.db2.gz KCARMFVJWMLJGB-WCQYABFASA-N 0 3 313.228 4.139 20 30 DIEDHN C[C@H](CCC#N)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000411379614 1045002302 /nfs/dbraw/zinc/00/23/02/1045002302.db2.gz FMBDKXHHIQRCPX-CYBMUJFWSA-N 0 3 308.347 4.487 20 30 DIEDHN COc1ccc([C@H](C)NCCC2(C#N)CCCCC2)cc1F ZINC000411449570 1045009221 /nfs/dbraw/zinc/00/92/21/1045009221.db2.gz DFOFCAJNHZTAQE-AWEZNQCLSA-N 0 3 304.409 4.349 20 30 DIEDHN C[C@H](CCC#N)N1CC=C(c2cccc(Br)c2)CC1 ZINC000411523303 1045014074 /nfs/dbraw/zinc/01/40/74/1045014074.db2.gz FBSCKAJYJTVPKL-CYBMUJFWSA-N 0 3 319.246 4.230 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H](OCC)c1ccccc1 ZINC000446857719 1045055826 /nfs/dbraw/zinc/05/58/26/1045055826.db2.gz WVTCKYMHHQRIPH-FQEVSTJZSA-N 0 3 311.425 4.119 20 30 DIEDHN C[C@H](NCc1cccn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691320 1045083448 /nfs/dbraw/zinc/08/34/48/1045083448.db2.gz CZCZMCGRXNDSKZ-INIZCTEOSA-N 0 3 315.420 4.415 20 30 DIEDHN Cc1ccc2[nH]c([C@@H]3CCCN3CCCC(C)(C)C#N)nc2c1 ZINC000577272488 1045112832 /nfs/dbraw/zinc/11/28/32/1045112832.db2.gz HQSRGVBMMDLULS-KRWDZBQOSA-N 0 3 310.445 4.338 20 30 DIEDHN Cc1ccc2nc([C@@H]3CCCN3CCCC(C)(C)C#N)[nH]c2c1 ZINC000577272488 1045112836 /nfs/dbraw/zinc/11/28/36/1045112836.db2.gz HQSRGVBMMDLULS-KRWDZBQOSA-N 0 3 310.445 4.338 20 30 DIEDHN C=CCC[C@@H](NC[C@@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564704 1045136977 /nfs/dbraw/zinc/13/69/77/1045136977.db2.gz SJTHCBDRIRRPCY-CRAIPNDOSA-N 0 3 317.454 4.426 20 30 DIEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000447574843 1045146897 /nfs/dbraw/zinc/14/68/97/1045146897.db2.gz OXOVYHQHQOGJOM-SJLPKXTDSA-N 0 3 322.456 4.168 20 30 DIEDHN CC[C@@H](NC1(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000447585800 1045153299 /nfs/dbraw/zinc/15/32/99/1045153299.db2.gz LOCMROWLTKLZQS-LJQANCHMSA-N 0 3 306.409 4.297 20 30 DIEDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(C#N)cs1 ZINC000577789151 1045171154 /nfs/dbraw/zinc/17/11/54/1045171154.db2.gz HZKYDQOWUMTIRG-IRXDYDNUSA-N 0 3 311.454 4.173 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000577795864 1045173250 /nfs/dbraw/zinc/17/32/50/1045173250.db2.gz XCOGTXIZUYEPDL-GFCCVEGCSA-N 0 3 302.780 4.396 20 30 DIEDHN C=CCCCN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000447795898 1045175385 /nfs/dbraw/zinc/17/53/85/1045175385.db2.gz QPZFIBUGRXKDTP-GOSISDBHSA-N 0 3 312.388 4.061 20 30 DIEDHN N#CCCC[C@@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC000601123791 1045189679 /nfs/dbraw/zinc/18/96/79/1045189679.db2.gz JOPCBOLKBZIFBT-HXUWFJFHSA-N 0 3 322.456 4.208 20 30 DIEDHN N#CCc1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000601129167 1045189796 /nfs/dbraw/zinc/18/97/96/1045189796.db2.gz CAOIPBWRJHNEKT-UHFFFAOYSA-N 0 3 318.342 4.147 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000924787368 1045198778 /nfs/dbraw/zinc/19/87/78/1045198778.db2.gz WRWVEDPPIMETKQ-HUUCEWRRSA-N 0 3 308.425 4.197 20 30 DIEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292427 1045212825 /nfs/dbraw/zinc/21/28/25/1045212825.db2.gz WZFPPGXFOKVGOS-DYXWJJEUSA-N 0 3 319.452 4.427 20 30 DIEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000925185592 1045232533 /nfs/dbraw/zinc/23/25/33/1045232533.db2.gz NEXCGQWEWTVUSV-GJZGRUSLSA-N 0 3 308.425 4.197 20 30 DIEDHN C=CCOc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000527774351 1045262118 /nfs/dbraw/zinc/26/21/18/1045262118.db2.gz SFNMXSZVNIYWSW-FQEVSTJZSA-N 0 3 308.425 4.277 20 30 DIEDHN Cc1ccccc1-c1ccccc1CN1CCC(F)(C#N)CC1 ZINC000449316776 1045376487 /nfs/dbraw/zinc/37/64/87/1045376487.db2.gz PPEHJUBEMMHAIN-UHFFFAOYSA-N 0 3 308.400 4.490 20 30 DIEDHN C[C@H](NCC1(C#N)CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450730159 1045554164 /nfs/dbraw/zinc/55/41/64/1045554164.db2.gz VPKBSIJHKOJFDG-OLZOCXBDSA-N 0 3 310.363 4.481 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905229 1045573137 /nfs/dbraw/zinc/57/31/37/1045573137.db2.gz SQWLIIIFYHNIEO-SUMWQHHRSA-N 0 3 312.413 4.038 20 30 DIEDHN Cc1cc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)ccc1F ZINC000751503761 1045609079 /nfs/dbraw/zinc/60/90/79/1045609079.db2.gz BQZKCBPUTNCDHJ-HUUCEWRRSA-N 0 3 312.388 4.276 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000800383956 1045613479 /nfs/dbraw/zinc/61/34/79/1045613479.db2.gz JYACFKNWWCAPDF-ZIAGYGMSSA-N 0 3 314.335 4.237 20 30 DIEDHN C#CCCOc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190963089 1045635265 /nfs/dbraw/zinc/63/52/65/1045635265.db2.gz LUMZLIOSHRZNRK-UWJYYQICSA-N 0 3 320.436 4.067 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000800524331 1045639420 /nfs/dbraw/zinc/63/94/20/1045639420.db2.gz GYKNHGWPQWDDTJ-GFCCVEGCSA-N 0 3 323.462 4.031 20 30 DIEDHN Cc1cc(O)c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000751932609 1045641635 /nfs/dbraw/zinc/64/16/35/1045641635.db2.gz PQFAKRXXSGQZIM-VQTJNVASSA-N 0 3 320.436 4.281 20 30 DIEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C)cc1[O-] ZINC000800990367 1045677530 /nfs/dbraw/zinc/67/75/30/1045677530.db2.gz OMZMFLQQATZJKT-QGZVFWFLSA-N 0 3 314.816 4.467 20 30 DIEDHN CCOc1cccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000800990687 1045678216 /nfs/dbraw/zinc/67/82/16/1045678216.db2.gz RMQMSYHYLWZSHZ-ZDUSSCGKSA-N 0 3 314.816 4.461 20 30 DIEDHN C[C@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871068 1045741028 /nfs/dbraw/zinc/74/10/28/1045741028.db2.gz QTRGLGGWECADFY-KXBFYZLASA-N 0 3 305.425 4.180 20 30 DIEDHN CCCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[O-] ZINC000801595662 1045748199 /nfs/dbraw/zinc/74/81/99/1045748199.db2.gz HYAHMDSUYCBLHJ-UHFFFAOYSA-N 0 3 308.425 4.261 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[O-] ZINC000801595662 1045748210 /nfs/dbraw/zinc/74/82/10/1045748210.db2.gz HYAHMDSUYCBLHJ-UHFFFAOYSA-N 0 3 308.425 4.261 20 30 DIEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC(C)(C)C1 ZINC000452099607 1045768408 /nfs/dbraw/zinc/76/84/08/1045768408.db2.gz CSIXKMRYFQWZIK-UHFFFAOYSA-N 0 3 324.428 4.007 20 30 DIEDHN C[C@@H](C#N)OCCN(Cc1ccccc1Cl)C1CCCC1 ZINC000801918811 1045836145 /nfs/dbraw/zinc/83/61/45/1045836145.db2.gz ZPEZRSQNWRGTJV-AWEZNQCLSA-N 0 3 306.837 4.013 20 30 DIEDHN C=CCN[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000531537069 1045865420 /nfs/dbraw/zinc/86/54/20/1045865420.db2.gz MGDVSDCMXVEBGY-MRXNPFEDSA-N 0 3 302.215 4.314 20 30 DIEDHN CCCCN(CCC)Cc1ccc(C#N)cc1Br ZINC001137636793 1045914564 /nfs/dbraw/zinc/91/45/64/1045914564.db2.gz NLJTXXCOXNTUAL-UHFFFAOYSA-N 0 3 309.251 4.333 20 30 DIEDHN COc1ccc(CN(C)C(C)(C)Cc2ccccc2)c(C#N)c1 ZINC001137705940 1045941551 /nfs/dbraw/zinc/94/15/51/1045941551.db2.gz IARBJGKEHKENBO-UHFFFAOYSA-N 0 3 308.425 4.020 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3c(F)cccc31)CC2 ZINC000453223803 1045993217 /nfs/dbraw/zinc/99/32/17/1045993217.db2.gz BDOWGLSJBMDOCJ-VQTJNVASSA-N 0 3 306.384 4.352 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453236405 1045998755 /nfs/dbraw/zinc/99/87/55/1045998755.db2.gz NSVIEHSGOHHYSG-UXHICEINSA-N 0 3 324.374 4.491 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193491839 1046020436 /nfs/dbraw/zinc/02/04/36/1046020436.db2.gz IMFRCAAYRPDYEK-BLLLJJGKSA-N 0 3 324.380 4.063 20 30 DIEDHN COc1ccc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)cc1C#N ZINC000080339737 1046026023 /nfs/dbraw/zinc/02/60/23/1046026023.db2.gz CPIJDKQBFFQBHV-RNODOKPDSA-N 0 3 324.399 4.119 20 30 DIEDHN CC[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000902726702 1046053092 /nfs/dbraw/zinc/05/30/92/1046053092.db2.gz UCLUTVOYIHBOAY-KRWDZBQOSA-N 0 3 316.351 4.401 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765975 1046064051 /nfs/dbraw/zinc/06/40/51/1046064051.db2.gz DHDJLYRIMVLXIM-UGSOOPFHSA-N 0 3 309.369 4.268 20 30 DIEDHN CC[C@@H](NCc1ccc(F)c(COC)c1)c1cccc(C#N)c1 ZINC000902808718 1046074583 /nfs/dbraw/zinc/07/45/83/1046074583.db2.gz LTTFYHSEKNEUEH-LJQANCHMSA-N 0 3 312.388 4.085 20 30 DIEDHN CC[C@@H](CSc1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902886926 1046099759 /nfs/dbraw/zinc/09/97/59/1046099759.db2.gz WPVGLQMUHBPJTG-HOCLYGCPSA-N 0 3 311.454 4.175 20 30 DIEDHN CC[C@@H](CSc1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902886927 1046100170 /nfs/dbraw/zinc/10/01/70/1046100170.db2.gz WPVGLQMUHBPJTG-ZBFHGGJFSA-N 0 3 311.454 4.175 20 30 DIEDHN CC[C@H](CSc1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902886924 1046100807 /nfs/dbraw/zinc/10/08/07/1046100807.db2.gz WPVGLQMUHBPJTG-GDBMZVCRSA-N 0 3 311.454 4.175 20 30 DIEDHN CCCCCn1cc(CN[C@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902890949 1046101728 /nfs/dbraw/zinc/10/17/28/1046101728.db2.gz KHSADCOXICEAFC-HXUWFJFHSA-N 0 3 324.472 4.494 20 30 DIEDHN CCCCCn1cc(CN[C@@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902890948 1046102684 /nfs/dbraw/zinc/10/26/84/1046102684.db2.gz KHSADCOXICEAFC-FQEVSTJZSA-N 0 3 324.472 4.494 20 30 DIEDHN C=CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccncc1 ZINC000756582941 1046103924 /nfs/dbraw/zinc/10/39/24/1046103924.db2.gz LMHBTXQHKKARMK-VBNZEHGJSA-N 0 3 312.388 4.382 20 30 DIEDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(C#N)c1 ZINC000756624205 1046112078 /nfs/dbraw/zinc/11/20/78/1046112078.db2.gz DOVIQGYVGXTRPY-XHBSWPGZSA-N 0 3 310.372 4.302 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000756710576 1046121393 /nfs/dbraw/zinc/12/13/93/1046121393.db2.gz ZKLCZRDQWYTLKM-NVXWUHKLSA-N 0 3 324.424 4.232 20 30 DIEDHN C#CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)c1ccccc1 ZINC000756776877 1046132378 /nfs/dbraw/zinc/13/23/78/1046132378.db2.gz UGRPRWSOGGLAIB-RRQGHBQHSA-N 0 3 309.384 4.434 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903001805 1046138861 /nfs/dbraw/zinc/13/88/61/1046138861.db2.gz XOOJHFTUDDJMTJ-UGSOOPFHSA-N 0 3 309.369 4.268 20 30 DIEDHN C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2[O-] ZINC000756857464 1046145670 /nfs/dbraw/zinc/14/56/70/1046145670.db2.gz OMVBESSRJQMVML-MLGOLLRUSA-N 0 3 322.383 4.230 20 30 DIEDHN C=CCCSCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047854 1046147467 /nfs/dbraw/zinc/14/74/67/1046147467.db2.gz FMFODDYEYOSVOV-NSHDSACASA-N 0 3 304.381 4.060 20 30 DIEDHN CC[C@H](N[C@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072396 1046154393 /nfs/dbraw/zinc/15/43/93/1046154393.db2.gz KWWJFBBRAMNWDW-ICSRJNTNSA-N 0 3 321.424 4.154 20 30 DIEDHN CC[C@@H](N[C@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072397 1046154727 /nfs/dbraw/zinc/15/47/27/1046154727.db2.gz KWWJFBBRAMNWDW-QUCCMNQESA-N 0 3 321.424 4.154 20 30 DIEDHN C#CC[C@H](NCc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000756997854 1046159835 /nfs/dbraw/zinc/15/98/35/1046159835.db2.gz OSPLBVGWOKUESH-NRFANRHFSA-N 0 3 306.453 4.387 20 30 DIEDHN C=CCC[C@@H](NCc1c(C)nn(C)c1C)c1cccc(Cl)c1 ZINC000903085807 1046161745 /nfs/dbraw/zinc/16/17/45/1046161745.db2.gz GWBBVJJPOULUBL-GOSISDBHSA-N 0 3 317.864 4.487 20 30 DIEDHN CC(=O)OCc1cccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000903103568 1046163667 /nfs/dbraw/zinc/16/36/67/1046163667.db2.gz KABMKPBTLRSQGR-HUUCEWRRSA-N 0 3 322.408 4.033 20 30 DIEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1C ZINC000903234980 1046201976 /nfs/dbraw/zinc/20/19/76/1046201976.db2.gz UMLHHEFCDBRZIL-AUUYWEPGSA-N 0 3 306.409 4.213 20 30 DIEDHN C=CCC[C@H](NCc1cnn(CCF)c1)c1cccc(Cl)c1 ZINC000903273736 1046218537 /nfs/dbraw/zinc/21/85/37/1046218537.db2.gz CSLCIZVCNIDSJJ-KRWDZBQOSA-N 0 3 321.827 4.303 20 30 DIEDHN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198175 1046221665 /nfs/dbraw/zinc/22/16/65/1046221665.db2.gz SNWFUEGRJUMSTA-JXFKEZNVSA-N 0 3 320.436 4.225 20 30 DIEDHN C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245503529 1046238214 /nfs/dbraw/zinc/23/82/14/1046238214.db2.gz IHAMHONTJXTJRP-LSDHHAIUSA-N 0 3 312.388 4.310 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H](C)c2cccs2)cc1 ZINC000245540849 1046241432 /nfs/dbraw/zinc/24/14/32/1046241432.db2.gz NCIHMRMGPWLZEX-ZIAGYGMSSA-N 0 3 300.427 4.232 20 30 DIEDHN CC(C)[C@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000245556823 1046242900 /nfs/dbraw/zinc/24/29/00/1046242900.db2.gz SEIOYMWAWBBEDY-KKUMJFAQSA-N 0 3 310.397 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC001138629020 1046245800 /nfs/dbraw/zinc/24/58/00/1046245800.db2.gz LIFHHJPBNUANMI-SFHVURJKSA-N 0 3 307.437 4.185 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC001138629020 1046245811 /nfs/dbraw/zinc/24/58/11/1046245811.db2.gz LIFHHJPBNUANMI-SFHVURJKSA-N 0 3 307.437 4.185 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1[O-] ZINC001138627661 1046245849 /nfs/dbraw/zinc/24/58/49/1046245849.db2.gz DSLPKNPVJIEWCS-FQEVSTJZSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1[O-] ZINC001138627661 1046245860 /nfs/dbraw/zinc/24/58/60/1046245860.db2.gz DSLPKNPVJIEWCS-FQEVSTJZSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1[O-] ZINC001138629320 1046247394 /nfs/dbraw/zinc/24/73/94/1046247394.db2.gz UTCMSASNWGQTBI-FQEVSTJZSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1[O-] ZINC001138629320 1046247406 /nfs/dbraw/zinc/24/74/06/1046247406.db2.gz UTCMSASNWGQTBI-FQEVSTJZSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1[O-] ZINC001138629478 1046247616 /nfs/dbraw/zinc/24/76/16/1046247616.db2.gz ABCKWARNMORSBT-UHFFFAOYSA-N 0 3 303.421 4.225 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1[O-] ZINC001138629478 1046247635 /nfs/dbraw/zinc/24/76/35/1046247635.db2.gz ABCKWARNMORSBT-UHFFFAOYSA-N 0 3 303.421 4.225 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1[O-] ZINC001138629321 1046247872 /nfs/dbraw/zinc/24/78/72/1046247872.db2.gz UTCMSASNWGQTBI-HXUWFJFHSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1[O-] ZINC001138629321 1046247889 /nfs/dbraw/zinc/24/78/89/1046247889.db2.gz UTCMSASNWGQTBI-HXUWFJFHSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c1[O-] ZINC001138628992 1046247999 /nfs/dbraw/zinc/24/79/99/1046247999.db2.gz KHBADBSZLFLIQL-IBGZPJMESA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c1[O-] ZINC001138628992 1046248009 /nfs/dbraw/zinc/24/80/09/1046248009.db2.gz KHBADBSZLFLIQL-IBGZPJMESA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)c1[O-] ZINC001138627731 1046248072 /nfs/dbraw/zinc/24/80/72/1046248072.db2.gz FBTVOTWFGFWWLF-OAHLLOKOSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c1[O-] ZINC001138627731 1046248083 /nfs/dbraw/zinc/24/80/83/1046248083.db2.gz FBTVOTWFGFWWLF-OAHLLOKOSA-N 0 3 311.425 4.322 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405728 1046267024 /nfs/dbraw/zinc/26/70/24/1046267024.db2.gz QTQPTSLECWNCLW-FOIQADDNSA-N 0 3 322.456 4.357 20 30 DIEDHN CC[C@H](N[C@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405730 1046267290 /nfs/dbraw/zinc/26/72/90/1046267290.db2.gz QTQPTSLECWNCLW-QRWLVFNGSA-N 0 3 322.456 4.357 20 30 DIEDHN CC[C@H](N[C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406703 1046267825 /nfs/dbraw/zinc/26/78/25/1046267825.db2.gz YGHHFJSPUZMLDV-YWZLYKJASA-N 0 3 322.456 4.357 20 30 DIEDHN C#CCCCCN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000758474596 1046274047 /nfs/dbraw/zinc/27/40/47/1046274047.db2.gz SVPQNXNLOZGVOI-HXUWFJFHSA-N 0 3 320.436 4.068 20 30 DIEDHN COc1cc(C)c(CN(C)Cc2ccc(C#N)cc2)c(C)c1C ZINC001138728755 1046280829 /nfs/dbraw/zinc/28/08/29/1046280829.db2.gz LIVOSGJHDKUDDR-UHFFFAOYSA-N 0 3 308.425 4.124 20 30 DIEDHN C[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)[C@@H]1CC1(F)F ZINC000639181003 1046365430 /nfs/dbraw/zinc/36/54/30/1046365430.db2.gz LZFQXTFGAFAJIM-RCOVLWMOSA-N 0 3 315.232 4.117 20 30 DIEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1OCC ZINC000052659679 1046383826 /nfs/dbraw/zinc/38/38/26/1046383826.db2.gz IRVDTACECQQWRO-OAHLLOKOSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC(C)(c2ccccc2)CC1 ZINC001168223073 1046431401 /nfs/dbraw/zinc/43/14/01/1046431401.db2.gz SWUBPNDFNRGIQX-UHFFFAOYSA-N 0 3 320.436 4.121 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001254642178 1046433460 /nfs/dbraw/zinc/43/34/60/1046433460.db2.gz FFBQJLVQISGQSQ-NOZJJQNGSA-N 0 3 302.727 4.141 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639889783 1046435357 /nfs/dbraw/zinc/43/53/57/1046435357.db2.gz JBGPEGMYXXLCKZ-OAHLLOKOSA-N 0 3 319.408 4.288 20 30 DIEDHN CN(Cc1ccccc1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400526 1046444082 /nfs/dbraw/zinc/44/40/82/1046444082.db2.gz VLKVNGIXZDGFLD-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN Cc1cccc(OCCCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000781422916 1046444059 /nfs/dbraw/zinc/44/40/59/1046444059.db2.gz NJZOCXOYCYHCQE-HNNXBMFYSA-N 0 3 312.388 4.126 20 30 DIEDHN C[C@H]1CCCCN1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424293 1046449540 /nfs/dbraw/zinc/44/95/40/1046449540.db2.gz OVLUMKPVFZZCJN-HNNXBMFYSA-N 0 3 307.397 4.120 20 30 DIEDHN C[C@H]1CN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C2(CC2)C1 ZINC001139429512 1046450231 /nfs/dbraw/zinc/45/02/31/1046450231.db2.gz YXUKQBXWXMRUMT-OAHLLOKOSA-N 0 3 319.408 4.120 20 30 DIEDHN N#CC(C(=O)CCc1ccc2ccccc2c1)c1ccccn1 ZINC000054452432 1046470486 /nfs/dbraw/zinc/47/04/86/1046470486.db2.gz QDTONDLCFIJVHK-SFHVURJKSA-N 0 3 300.361 4.044 20 30 DIEDHN CC(C)[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000781981314 1046490570 /nfs/dbraw/zinc/49/05/70/1046490570.db2.gz KCNRCJXZVSVPBV-CQSZACIVSA-N 0 3 306.837 4.110 20 30 DIEDHN Cc1ccc(CN(C)Cc2cccc3cccnc32)cc1C#N ZINC001139726324 1046506498 /nfs/dbraw/zinc/50/64/98/1046506498.db2.gz IJLGDPRWYZMCLX-UHFFFAOYSA-N 0 3 301.393 4.047 20 30 DIEDHN C=CCN(CC=C)Cc1c[nH]c2cccc(Br)c12 ZINC001139966827 1046559787 /nfs/dbraw/zinc/55/97/87/1046559787.db2.gz GJMFBSRSFXPJNC-UHFFFAOYSA-N 0 3 305.219 4.104 20 30 DIEDHN C=CCCN(Cc1[nH]nc2ccc(OC)cc21)Cc1ccccc1 ZINC001140068199 1046581299 /nfs/dbraw/zinc/58/12/99/1046581299.db2.gz AZAMRAKKBXTCEX-UHFFFAOYSA-N 0 3 321.424 4.150 20 30 DIEDHN C=CCOc1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000678239245 1046599563 /nfs/dbraw/zinc/59/95/63/1046599563.db2.gz XKDGCNSLENLSSB-OAQYLSRUSA-N 0 3 323.436 4.215 20 30 DIEDHN C#CCN(Cc1ccc(C)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC001140159745 1046603772 /nfs/dbraw/zinc/60/37/72/1046603772.db2.gz WILISRQBGGSUHN-HXUWFJFHSA-N 0 3 305.421 4.126 20 30 DIEDHN C=CCN(Cc1cccc(Br)c1OC)C(C)(C)C ZINC001140156248 1046604599 /nfs/dbraw/zinc/60/45/99/1046604599.db2.gz RJUUPSCYDCGSFA-UHFFFAOYSA-N 0 3 312.251 4.244 20 30 DIEDHN C=CC1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000532966075 1046631287 /nfs/dbraw/zinc/63/12/87/1046631287.db2.gz YLDTXLDOCMJBGH-UHFFFAOYSA-N 0 3 320.436 4.337 20 30 DIEDHN N#CC1(c2ccccc2)CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001203019095 1046635626 /nfs/dbraw/zinc/63/56/26/1046635626.db2.gz BKMPZWUSLJTZHQ-UHFFFAOYSA-N 0 3 316.448 4.233 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](CC)c2ccncc2)c1 ZINC000834650642 1046644907 /nfs/dbraw/zinc/64/49/07/1046644907.db2.gz OQZCUKQTNJQSBB-MJGOQNOKSA-N 0 3 309.413 4.003 20 30 DIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000533299132 1046692430 /nfs/dbraw/zinc/69/24/30/1046692430.db2.gz CIFKNNLHTSFYII-HOTGVXAUSA-N 0 3 302.462 4.425 20 30 DIEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744295 1046693209 /nfs/dbraw/zinc/69/32/09/1046693209.db2.gz KKYKKKJJZUXIPY-IRXDYDNUSA-N 0 3 308.425 4.113 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000834877209 1046695353 /nfs/dbraw/zinc/69/53/53/1046695353.db2.gz IBLBTTAIYHFLLZ-GQIGUUNPSA-N 0 3 321.420 4.262 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000834902326 1046714227 /nfs/dbraw/zinc/71/42/27/1046714227.db2.gz GVENOEIVCKYFQD-LJQANCHMSA-N 0 3 311.404 4.004 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nccs1 ZINC001140453903 1046731505 /nfs/dbraw/zinc/73/15/05/1046731505.db2.gz QRWHPMJRCPOZFI-MKZZRHPPSA-N 0 3 309.438 4.077 20 30 DIEDHN C=CCc1cc(CN[C@@H]2CCc3ccc(C)cc32)cc(OC)c1O ZINC000678932391 1046738716 /nfs/dbraw/zinc/73/87/16/1046738716.db2.gz UXOLWSVIAKRLQP-LJQANCHMSA-N 0 3 323.436 4.215 20 30 DIEDHN C=CCC[C@@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820733 1046741045 /nfs/dbraw/zinc/74/10/45/1046741045.db2.gz VYSLPPNSJCHJKT-CABCVRRESA-N 0 3 323.795 4.403 20 30 DIEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000533538910 1046747436 /nfs/dbraw/zinc/74/74/36/1046747436.db2.gz OMJOTCMYCKHKQZ-HNNXBMFYSA-N 0 3 324.424 4.159 20 30 DIEDHN C#CCCOc1ccc(CNCc2ccc3occc3c2)cc1 ZINC001203061536 1046874722 /nfs/dbraw/zinc/87/47/22/1046874722.db2.gz GAMHYZIIIQGTPY-UHFFFAOYSA-N 0 3 305.377 4.125 20 30 DIEDHN CC(C)N(Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140750895 1046886073 /nfs/dbraw/zinc/88/60/73/1046886073.db2.gz BKPFZGNZGDRASA-UHFFFAOYSA-N 0 3 300.352 4.247 20 30 DIEDHN Cc1cc(F)ccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001140780574 1046892963 /nfs/dbraw/zinc/89/29/63/1046892963.db2.gz FJBPCCOADBADTO-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000797878227 1046900356 /nfs/dbraw/zinc/90/03/56/1046900356.db2.gz QANZVXXDXNYESQ-WIYYLYMNSA-N 0 3 323.436 4.130 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(C)cc2SC)cc1 ZINC000237432170 1046908503 /nfs/dbraw/zinc/90/85/03/1046908503.db2.gz MJEBAQOWLKJEBQ-UHFFFAOYSA-N 0 3 311.450 4.019 20 30 DIEDHN C=C[C@@H](C)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000237449702 1046917464 /nfs/dbraw/zinc/91/74/64/1046917464.db2.gz SNBWASDLIRNMEM-CYBMUJFWSA-N 0 3 314.816 4.256 20 30 DIEDHN CCN(CC)c1ccc(C=NOCc2ccccc2OC)cc1 ZINC000836186473 1046930733 /nfs/dbraw/zinc/93/07/33/1046930733.db2.gz NQTJFEBUXOZXPN-UHFFFAOYSA-N 0 3 312.413 4.092 20 30 DIEDHN C=C(CNCc1cn(C)nc1C1CCCCC1)c1ccccc1 ZINC000680115291 1046949714 /nfs/dbraw/zinc/94/97/14/1046949714.db2.gz CNAZIWZPZKPHGG-UHFFFAOYSA-N 0 3 309.457 4.271 20 30 DIEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647376907 1046994162 /nfs/dbraw/zinc/99/41/62/1046994162.db2.gz BLCSLFSSRPRUCP-OAHLLOKOSA-N 0 3 324.405 4.075 20 30 DIEDHN C=CCCOCCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000533801891 1047023859 /nfs/dbraw/zinc/02/38/59/1047023859.db2.gz XIHWSWHREYEUKU-UHFFFAOYSA-N 0 3 303.377 4.076 20 30 DIEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC001141195542 1047040087 /nfs/dbraw/zinc/04/00/87/1047040087.db2.gz RZMLSENSAFEFCL-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN N#CCC1CCN(Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141207656 1047047447 /nfs/dbraw/zinc/04/74/47/1047047447.db2.gz JQDLAHNSYWUOOD-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080453457 1047048625 /nfs/dbraw/zinc/04/86/25/1047048625.db2.gz ZMRCHEQVGFPXRP-AWEZNQCLSA-N 0 3 314.410 4.155 20 30 DIEDHN COc1cc(CN2CCC(c3ccc(F)cc3)CC2)ccc1C#N ZINC000799732554 1047059103 /nfs/dbraw/zinc/05/91/03/1047059103.db2.gz BMMVUWSJGXYXKM-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000536673025 1047063207 /nfs/dbraw/zinc/06/32/07/1047063207.db2.gz JEUXZUPBNVQRPI-ZDUSSCGKSA-N 0 3 302.830 4.263 20 30 DIEDHN C=CCOc1ccc(CNC(C)(C)CC(F)(F)F)cc1OC ZINC000681990211 1047159237 /nfs/dbraw/zinc/15/92/37/1047159237.db2.gz YBSBNZSTGGYSFH-UHFFFAOYSA-N 0 3 317.351 4.081 20 30 DIEDHN CSc1nc(CN2CC[C@H](C3CCCCC3)C2)ccc1C#N ZINC001141941458 1047312084 /nfs/dbraw/zinc/31/20/84/1047312084.db2.gz KMJUILYDHYGXEV-INIZCTEOSA-N 0 3 315.486 4.077 20 30 DIEDHN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(C#Cc2ccccc2)s1 ZINC001141976065 1047326734 /nfs/dbraw/zinc/32/67/34/1047326734.db2.gz USQYYIWYKFRZPR-TXPKVOOTSA-N 0 3 311.425 4.080 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CCC2(CCC2)CC1 ZINC000796513796 1047366859 /nfs/dbraw/zinc/36/68/59/1047366859.db2.gz CDVCSIPAEAVHTM-UHFFFAOYSA-N 0 3 304.821 4.008 20 30 DIEDHN C=CCC[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccco1 ZINC000796794546 1047391755 /nfs/dbraw/zinc/39/17/55/1047391755.db2.gz URPKXZNARUBGAJ-AWEZNQCLSA-N 0 3 322.449 4.180 20 30 DIEDHN C=CCCn1cc(CN(C)[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000653762087 1047422222 /nfs/dbraw/zinc/42/22/22/1047422222.db2.gz SSHGTUWFTFLLKF-WOJBJXKFSA-N 0 3 324.472 4.012 20 30 DIEDHN CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1[O-] ZINC000841760233 1047455765 /nfs/dbraw/zinc/45/57/65/1047455765.db2.gz DFSMJQSZROVLOM-RTBURBONSA-N 0 3 306.409 4.382 20 30 DIEDHN N#CCCN(Cc1cccc2nc[nH]c21)C1CCCCCCC1 ZINC001142687165 1047480357 /nfs/dbraw/zinc/48/03/57/1047480357.db2.gz ODWZJDYVBSXHDJ-UHFFFAOYSA-N 0 3 310.445 4.391 20 30 DIEDHN CSc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CCC2 ZINC000842830707 1047507046 /nfs/dbraw/zinc/50/70/46/1047507046.db2.gz XAPPFUWRFLZNKW-IBGZPJMESA-N 0 3 308.450 4.447 20 30 DIEDHN N#Cc1ccc2c(CN3CCC4(CC[C@H](F)C4)CC3)c[nH]c2c1 ZINC001142922877 1047514604 /nfs/dbraw/zinc/51/46/04/1047514604.db2.gz ZKUUWMKKJDKPOA-INIZCTEOSA-N 0 3 311.404 4.144 20 30 DIEDHN CN(Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(Cl)c1 ZINC001142929162 1047516739 /nfs/dbraw/zinc/51/67/39/1047516739.db2.gz YSIFHIKGXUUWNN-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN C=CCC[C@H](O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000121375869 1047517401 /nfs/dbraw/zinc/51/74/01/1047517401.db2.gz ILROFOISDCEHCZ-SUMWQHHRSA-N 0 3 319.495 4.084 20 30 DIEDHN N#CCCN(Cc1cccc2n[nH]cc21)C1CCCCCCC1 ZINC001143091190 1047530356 /nfs/dbraw/zinc/53/03/56/1047530356.db2.gz BDCWARFMAPJFEH-UHFFFAOYSA-N 0 3 310.445 4.391 20 30 DIEDHN C[C@H](c1cccc(O)c1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000093315561 1047544997 /nfs/dbraw/zinc/54/49/97/1047544997.db2.gz RKZHEBWZOFTJSC-MRXNPFEDSA-N 0 3 324.424 4.268 20 30 DIEDHN CSc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000404590608 1047553894 /nfs/dbraw/zinc/55/38/94/1047553894.db2.gz QZAZLTABCHWIHG-GFCCVEGCSA-N 0 3 300.402 4.270 20 30 DIEDHN CCOc1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000537722016 1047635779 /nfs/dbraw/zinc/63/57/79/1047635779.db2.gz UUBWZACBLLJPMM-UHFFFAOYSA-N 0 3 318.420 4.246 20 30 DIEDHN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507574 1047684124 /nfs/dbraw/zinc/68/41/24/1047684124.db2.gz NZKNXUQWISLPEI-KZULUSFZSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507573 1047684348 /nfs/dbraw/zinc/68/43/48/1047684348.db2.gz NZKNXUQWISLPEI-KPZWWZAWSA-N 0 3 310.372 4.044 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2cc[nH]c21 ZINC000538728228 1047701628 /nfs/dbraw/zinc/70/16/28/1047701628.db2.gz GHVFFOPLEYKSGH-WOJBJXKFSA-N 0 3 315.420 4.440 20 30 DIEDHN CC(C)(C)c1ccc(OCCNCc2ccc(C#N)s2)cc1 ZINC000539383411 1047750677 /nfs/dbraw/zinc/75/06/77/1047750677.db2.gz LLRQXDSQCGZSIO-UHFFFAOYSA-N 0 3 314.454 4.086 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000237502259 1047782479 /nfs/dbraw/zinc/78/24/79/1047782479.db2.gz FPURTDWCXPVTIU-KBXCAEBGSA-N 0 3 324.449 4.304 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)c1ccnc2ccc(C)cc21 ZINC000553332877 1047839053 /nfs/dbraw/zinc/83/90/53/1047839053.db2.gz UYSGGBPUNRVDDT-UHFFFAOYSA-N 0 3 322.408 4.211 20 30 DIEDHN C=CC[C@H]1CCN(Cc2cc(C)c(F)cc2Br)C1 ZINC001183065195 1047887715 /nfs/dbraw/zinc/88/77/15/1047887715.db2.gz HZBKFKVDVPLNSS-LBPRGKRZSA-N 0 3 312.226 4.295 20 30 DIEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775833724 1047941491 /nfs/dbraw/zinc/94/14/91/1047941491.db2.gz KZFBEPXOYZDVFS-HNNXBMFYSA-N 0 3 312.844 4.108 20 30 DIEDHN C#C[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2F)cc1 ZINC001198525506 1047968357 /nfs/dbraw/zinc/96/83/57/1047968357.db2.gz NCSHNLFFVBWTGJ-LJQANCHMSA-N 0 3 323.411 4.392 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN1CCO[C@@H](c2ccccc2)CC1 ZINC001198704769 1047999104 /nfs/dbraw/zinc/99/91/04/1047999104.db2.gz FGKWMZTULNOALU-OAQYLSRUSA-N 0 3 320.436 4.139 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000775913324 1048011221 /nfs/dbraw/zinc/01/12/21/1048011221.db2.gz KKCMYPHGIODFKD-GFCCVEGCSA-N 0 3 300.789 4.077 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000554740532 1048169909 /nfs/dbraw/zinc/16/99/09/1048169909.db2.gz BEMXKABMIAMZQX-IBGZPJMESA-N 0 3 312.388 4.289 20 30 DIEDHN N#CCc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000554732490 1048172775 /nfs/dbraw/zinc/17/27/75/1048172775.db2.gz CCQUKEHTPAXSFF-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201474654 1048294046 /nfs/dbraw/zinc/29/40/46/1048294046.db2.gz JHMVTUJDJNWDJM-RTWAWAEBSA-N 0 3 315.420 4.291 20 30 DIEDHN C=CCC[C@@H](NCc1ccnn1CC1CCC1)c1ccccc1 ZINC001201558700 1048316600 /nfs/dbraw/zinc/31/66/00/1048316600.db2.gz UPMZXZOCRAWJTL-HXUWFJFHSA-N 0 3 309.457 4.480 20 30 DIEDHN CCCCCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC001201631443 1048328443 /nfs/dbraw/zinc/32/84/43/1048328443.db2.gz SQGKFPLHANXOMP-FQEVSTJZSA-N 0 3 324.553 4.314 20 30 DIEDHN Cc1ccc(C#N)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506346 1048340544 /nfs/dbraw/zinc/34/05/44/1048340544.db2.gz VQYKAFLWJZPTFD-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1C#N ZINC001175506399 1048343003 /nfs/dbraw/zinc/34/30/03/1048343003.db2.gz XOUKOSLTJCWLPL-UHFFFAOYSA-N 0 3 303.409 4.068 20 30 DIEDHN N#CC1(c2ccccc2F)CCN(CCCc2ccccc2)CC1 ZINC001201682276 1048343348 /nfs/dbraw/zinc/34/33/48/1048343348.db2.gz SZSINRATARYYRD-UHFFFAOYSA-N 0 3 322.427 4.316 20 30 DIEDHN CCCCCCCN1CCc2ncc(C(F)(F)F)cc2C1 ZINC001201787771 1048379257 /nfs/dbraw/zinc/37/92/57/1048379257.db2.gz LSHKNODNRVAYTK-UHFFFAOYSA-N 0 3 300.368 4.429 20 30 DIEDHN CCCCCCCCCCN1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001201852922 1048381734 /nfs/dbraw/zinc/38/17/34/1048381734.db2.gz SGWPNLGRIPOHOZ-GOSISDBHSA-N 0 3 321.509 4.106 20 30 DIEDHN CCCCCCCCN1CCN(CCc2cccs2)CC1 ZINC001201826163 1048383056 /nfs/dbraw/zinc/38/30/56/1048383056.db2.gz ORTPRNMNDATGLZ-UHFFFAOYSA-N 0 3 308.535 4.269 20 30 DIEDHN CCCCCCCCCN1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001201840186 1048386491 /nfs/dbraw/zinc/38/64/91/1048386491.db2.gz WMTOMYQGMHUGEP-GOSISDBHSA-N 0 3 321.509 4.199 20 30 DIEDHN C[C@]1(C2CCCCC2)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175642798 1048386514 /nfs/dbraw/zinc/38/65/14/1048386514.db2.gz AMTFJIFCHKSBGZ-GOSISDBHSA-N 0 3 313.401 4.011 20 30 DIEDHN C=C(C)[C@H](NCCc1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000481613869 1048438669 /nfs/dbraw/zinc/43/86/69/1048438669.db2.gz PQWRRGFKGNGUBD-KRWDZBQOSA-N 0 3 306.356 4.019 20 30 DIEDHN C=C[C@H](COC)NCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001202093168 1048448360 /nfs/dbraw/zinc/44/83/60/1048448360.db2.gz SCMRTFCCJWGMGT-GOSISDBHSA-N 0 3 301.817 4.298 20 30 DIEDHN N=C(Nc1ccc(CS)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163685536 1048502949 /nfs/dbraw/zinc/50/29/49/1048502949.db2.gz PDDCRLYQPXHUJZ-UHFFFAOYSA-N 0 3 310.344 4.172 20 30 DIEDHN COCCN(Cc1ccc(CC#N)cc1)Cc1ccc(C)c(C)c1 ZINC001176203099 1048602509 /nfs/dbraw/zinc/60/25/09/1048602509.db2.gz VSGPMDIDLVNYQM-UHFFFAOYSA-N 0 3 322.452 4.018 20 30 DIEDHN C=CCC1(O)CCN(Cc2cc(Cl)cc3ccccc32)CC1 ZINC001176272598 1048626554 /nfs/dbraw/zinc/62/65/54/1048626554.db2.gz JVIKQCPRYVWHIW-UHFFFAOYSA-N 0 3 315.844 4.396 20 30 DIEDHN CCc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000160159505 1048646743 /nfs/dbraw/zinc/64/67/43/1048646743.db2.gz RSNNYJHQEMOTQD-CQSZACIVSA-N 0 3 313.426 4.075 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435260 1048655392 /nfs/dbraw/zinc/65/53/92/1048655392.db2.gz KQBDRORIPCPFBO-BEFAXECRSA-N 0 3 308.425 4.375 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000850438266 1048656833 /nfs/dbraw/zinc/65/68/33/1048656833.db2.gz DDXIXTBMVVGSPF-GJZGRUSLSA-N 0 3 306.409 4.295 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 ZINC000850463575 1048665533 /nfs/dbraw/zinc/66/55/33/1048665533.db2.gz WCMAREXGZOXEEV-OAQYLSRUSA-N 0 3 319.452 4.319 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(C2)CCCCC3)c1 ZINC000850756664 1048707476 /nfs/dbraw/zinc/70/74/76/1048707476.db2.gz CKWKSWZXGAYIRJ-QGZVFWFLSA-N 0 3 324.424 4.003 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc(C)c1 ZINC001190476160 1048739402 /nfs/dbraw/zinc/73/94/02/1048739402.db2.gz PDIMGRRPPGGGJZ-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(CC)CC1CCC1 ZINC000483113306 1048739743 /nfs/dbraw/zinc/73/97/43/1048739743.db2.gz BIGBTSNTINMPAT-UHFFFAOYSA-N 0 3 318.486 4.025 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2cc[nH]c2c1 ZINC001190457651 1048740635 /nfs/dbraw/zinc/74/06/35/1048740635.db2.gz OIEMTRHJDSSCNJ-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN Cc1cc(F)cc(C(=O)C(C#N)c2nccc3ccccc32)c1 ZINC000483238149 1048758356 /nfs/dbraw/zinc/75/83/56/1048758356.db2.gz PZVWHPUQHXCRDC-KRWDZBQOSA-N 0 3 304.324 4.172 20 30 DIEDHN COC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCCC1 ZINC000483262466 1048767177 /nfs/dbraw/zinc/76/71/77/1048767177.db2.gz AQVUIKXPCIZSTC-RTBURBONSA-N 0 3 312.457 4.107 20 30 DIEDHN CCc1ccc(CN2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001204177696 1048786421 /nfs/dbraw/zinc/78/64/21/1048786421.db2.gz BLWUJMWFSWTOIZ-UHFFFAOYSA-N 0 3 320.436 4.164 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc(Br)ccc1OC ZINC001176771634 1048788832 /nfs/dbraw/zinc/78/88/32/1048788832.db2.gz OTXRMQBMDJPERY-HNNXBMFYSA-N 0 3 324.262 4.388 20 30 DIEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000483414070 1048790003 /nfs/dbraw/zinc/79/00/03/1048790003.db2.gz VEKPDFCHJKIYNK-LJQANCHMSA-N 0 3 312.363 4.000 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)cc1F ZINC000483513937 1048813486 /nfs/dbraw/zinc/81/34/86/1048813486.db2.gz POBINUCTQXTGML-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN CC(C)[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1F ZINC000852446920 1048840466 /nfs/dbraw/zinc/84/04/66/1048840466.db2.gz NGLMGHJJGKCVIZ-IBGZPJMESA-N 0 3 312.388 4.215 20 30 DIEDHN CCCCCCCNC(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001191104752 1048852846 /nfs/dbraw/zinc/85/28/46/1048852846.db2.gz QTMZRMMGIBMXSP-UHFFFAOYSA-N 0 3 323.525 4.005 20 30 DIEDHN N#Cc1ccc(Br)c(CN[C@H]2CC23CCCCC3)c1 ZINC001203262602 1048854230 /nfs/dbraw/zinc/85/42/30/1048854230.db2.gz DGGUXEYSCLIAAG-HNNXBMFYSA-N 0 3 319.246 4.133 20 30 DIEDHN C=CCCCCCN(C)[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001191133880 1048876012 /nfs/dbraw/zinc/87/60/12/1048876012.db2.gz UKSAEBVSVNHXNA-IBGZPJMESA-N 0 3 316.489 4.415 20 30 DIEDHN N#CCCCOc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000338956334 1048908511 /nfs/dbraw/zinc/90/85/11/1048908511.db2.gz XGCFODWELSMKRT-UHFFFAOYSA-N 0 3 319.408 4.140 20 30 DIEDHN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ccc(F)cc1C#N ZINC001191269379 1048911386 /nfs/dbraw/zinc/91/13/86/1048911386.db2.gz RNDCOHIAGQORKP-HXUWFJFHSA-N 0 3 310.416 4.459 20 30 DIEDHN C=CC(C)(C)CCCNCc1csc(-c2ccccn2)n1 ZINC001203572976 1048932886 /nfs/dbraw/zinc/93/28/86/1048932886.db2.gz TWLDDDDJMJENJZ-UHFFFAOYSA-N 0 3 301.459 4.287 20 30 DIEDHN CC[C@@H](Sc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000111943002 1048940986 /nfs/dbraw/zinc/94/09/86/1048940986.db2.gz VBABUFDQWVBZNL-UONOGXRCSA-N 0 3 316.451 4.199 20 30 DIEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000111942999 1048941077 /nfs/dbraw/zinc/94/10/77/1048941077.db2.gz VBABUFDQWVBZNL-KBPBESRZSA-N 0 3 316.451 4.199 20 30 DIEDHN COCc1c(C)cc(C)c(CNCc2ccc(C)c(C#N)c2)c1C ZINC001203639518 1048943787 /nfs/dbraw/zinc/94/37/87/1048943787.db2.gz KSFHYFSPTNEZJQ-UHFFFAOYSA-N 0 3 322.452 4.228 20 30 DIEDHN C[C@@H](Cc1cccs1)N(C)CC#Cc1ccc(Cl)cc1 ZINC001191464244 1048954789 /nfs/dbraw/zinc/95/47/89/1048954789.db2.gz JVPZJHURWZLUGA-AWEZNQCLSA-N 0 3 303.858 4.316 20 30 DIEDHN N#CCC[C@H](NCc1cccc2ncccc12)c1ccccc1 ZINC001178244422 1049001007 /nfs/dbraw/zinc/00/10/07/1049001007.db2.gz PFJPVTOBDFLRHX-IBGZPJMESA-N 0 3 301.393 4.369 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000776798509 1049018988 /nfs/dbraw/zinc/01/89/88/1049018988.db2.gz JJFKEHMBBSQYDV-UHFFFAOYSA-N 0 3 323.827 4.204 20 30 DIEDHN N#Cc1ccc(CN2CCC(c3ccc(F)cc3F)CC2)cc1 ZINC001203907395 1049027853 /nfs/dbraw/zinc/02/78/53/1049027853.db2.gz ZNRVVHRMYYNHOW-UHFFFAOYSA-N 0 3 312.363 4.216 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2ncsc2c1 ZINC000776817065 1049044242 /nfs/dbraw/zinc/04/42/42/1049044242.db2.gz YBTOHRVSZWKZBS-ZDUSSCGKSA-N 0 3 323.421 4.049 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2sccc2C)c1 ZINC000113960892 1049079604 /nfs/dbraw/zinc/07/96/04/1049079604.db2.gz GJRKCLPJNCPATK-HNNXBMFYSA-N 0 3 300.427 4.027 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2sccc2C)c1 ZINC000113960894 1049080316 /nfs/dbraw/zinc/08/03/16/1049080316.db2.gz GJRKCLPJNCPATK-OAHLLOKOSA-N 0 3 300.427 4.027 20 30 DIEDHN C[C@H](NC1(c2ccc(F)cc2)CCC1)c1ccc(OCC#N)cc1 ZINC000776895786 1049102562 /nfs/dbraw/zinc/10/25/62/1049102562.db2.gz DVXLSQMFVTUSRG-HNNXBMFYSA-N 0 3 324.399 4.458 20 30 DIEDHN CCCCCCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000904620282 1049106937 /nfs/dbraw/zinc/10/69/37/1049106937.db2.gz GCXZIZOCJXDYKK-UHFFFAOYSA-N 0 3 301.434 4.311 20 30 DIEDHN COc1cccc([C@@H]2C[C@H](C)CN2CC#Cc2ccc(F)cc2)c1 ZINC001192500175 1049111452 /nfs/dbraw/zinc/11/14/52/1049111452.db2.gz HKBGDXULYPOCNN-KKSFZXQISA-N 0 3 323.411 4.269 20 30 DIEDHN CCOc1cc(F)cc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC001179034873 1049127244 /nfs/dbraw/zinc/12/72/44/1049127244.db2.gz SNZJWVOXRFLPFW-UHFFFAOYSA-N 0 3 324.399 4.265 20 30 DIEDHN N#Cc1ccc(CCNCc2cc(Cl)sc2Cl)cc1 ZINC001179142276 1049130003 /nfs/dbraw/zinc/13/00/03/1049130003.db2.gz DPZIALDEVJRQDN-UHFFFAOYSA-N 0 3 311.237 4.259 20 30 DIEDHN C=CCOc1ccc(CN2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001204300089 1049134773 /nfs/dbraw/zinc/13/47/73/1049134773.db2.gz JEAOSCQIZLTABZ-OAQYLSRUSA-N 0 3 323.436 4.043 20 30 DIEDHN C#C[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC001204332089 1049144092 /nfs/dbraw/zinc/14/40/92/1049144092.db2.gz WBVAENURKXIWKR-SFHVURJKSA-N 0 3 305.421 4.111 20 30 DIEDHN CCCCCCCOc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1 ZINC001204368047 1049153434 /nfs/dbraw/zinc/15/34/34/1049153434.db2.gz CXJYDWUPBUUERT-WOJBJXKFSA-N 0 3 317.473 4.399 20 30 DIEDHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccccc2C#N)CC1 ZINC001204370579 1049153537 /nfs/dbraw/zinc/15/35/37/1049153537.db2.gz DJJWTAPZDWIEJT-UHFFFAOYSA-N 0 3 316.448 4.347 20 30 DIEDHN COc1cccc(C[C@@H]2CCCN(Cc3ccccc3C#N)C2)c1 ZINC001204372993 1049153719 /nfs/dbraw/zinc/15/37/19/1049153719.db2.gz MDGXAEBRLLNNRV-SFHVURJKSA-N 0 3 320.436 4.022 20 30 DIEDHN C#CC1(NCc2ccc(OCC(C)C)c(OCC)c2)CCCC1 ZINC001179437462 1049163826 /nfs/dbraw/zinc/16/38/26/1049163826.db2.gz HPARTSHYHVOIGU-UHFFFAOYSA-N 0 3 315.457 4.156 20 30 DIEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2ccccc2Cl)o1 ZINC001179438732 1049163849 /nfs/dbraw/zinc/16/38/49/1049163849.db2.gz ZRIPWMKWZZGDLR-CYBMUJFWSA-N 0 3 305.805 4.017 20 30 DIEDHN COc1ccc(C[C@@H](C)CN(CCC#N)CCC(C)C)cc1F ZINC001204498294 1049177094 /nfs/dbraw/zinc/17/70/94/1049177094.db2.gz YOQPNACIDAEPEL-MRXNPFEDSA-N 0 3 320.452 4.275 20 30 DIEDHN Cc1c(F)cccc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001204510747 1049178567 /nfs/dbraw/zinc/17/85/67/1049178567.db2.gz NRFNICGPKVEIIJ-LJQANCHMSA-N 0 3 324.399 4.049 20 30 DIEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)c(C)n1C1CCCCC1 ZINC000905080933 1049191130 /nfs/dbraw/zinc/19/11/30/1049191130.db2.gz OMAJDWLOCJYYSF-AYCSXLNKSA-N 0 3 324.428 4.043 20 30 DIEDHN Cc1cccc([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001193325120 1049197500 /nfs/dbraw/zinc/19/75/00/1049197500.db2.gz ZWBHGTDKBMSUAI-LJQANCHMSA-N 0 3 309.840 4.489 20 30 DIEDHN Cc1cccnc1[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000115622310 1049199919 /nfs/dbraw/zinc/19/99/19/1049199919.db2.gz RDRZKWKBWBHJSW-QFBILLFUSA-N 0 3 323.440 4.168 20 30 DIEDHN C=CC[C@H](NCc1ccc(OC)c(OC2CC2)c1)c1ccncc1 ZINC000858139030 1049222125 /nfs/dbraw/zinc/22/21/25/1049222125.db2.gz NTCSBZQYPAOWKS-SFHVURJKSA-N 0 3 324.424 4.038 20 30 DIEDHN Cc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)cc1 ZINC001179858623 1049222269 /nfs/dbraw/zinc/22/22/69/1049222269.db2.gz HTWMURBPNKPZCC-LJQANCHMSA-N 0 3 322.427 4.461 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582033 1049280313 /nfs/dbraw/zinc/28/03/13/1049280313.db2.gz LLMLEVXJESFWNS-OALUTQOASA-N 0 3 308.812 4.476 20 30 DIEDHN C=C(C)c1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC001180114804 1049289996 /nfs/dbraw/zinc/28/99/96/1049289996.db2.gz JLJKVWQLFADMDE-SFHVURJKSA-N 0 3 300.446 4.169 20 30 DIEDHN CCCCCCCOC(=O)Nc1ccc2c(c1)CN(C)CC2 ZINC001194012182 1049299325 /nfs/dbraw/zinc/29/93/25/1049299325.db2.gz DKIJSDOJQUJYHO-UHFFFAOYSA-N 0 3 304.434 4.193 20 30 DIEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1C#N ZINC000859360394 1049330836 /nfs/dbraw/zinc/33/08/36/1049330836.db2.gz GYIYZFSPDDAGOW-HNNXBMFYSA-N 0 3 306.409 4.043 20 30 DIEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000860483384 1049389771 /nfs/dbraw/zinc/38/97/71/1049389771.db2.gz QJWWMWWIOHYEDM-ARFHVFGLSA-N 0 3 316.360 4.116 20 30 DIEDHN CCCCCCCCOC(=O)N(C(C)C)C1CCN(C)CC1 ZINC001194743985 1049415611 /nfs/dbraw/zinc/41/56/11/1049415611.db2.gz WAPJNTAPTPKJKO-UHFFFAOYSA-N 0 3 312.498 4.288 20 30 DIEDHN FC(F)(F)c1ccc(C#CCN2CCC(C3CC3)CC2)cc1 ZINC001194890886 1049451301 /nfs/dbraw/zinc/45/13/01/1049451301.db2.gz NNABUZJTPGZZBJ-UHFFFAOYSA-N 0 3 307.359 4.179 20 30 DIEDHN CC(C)P(CCNC(=O)CC1(C#N)CCCCC1)C(C)C ZINC001181389900 1049475569 /nfs/dbraw/zinc/47/55/69/1049475569.db2.gz PBRHTICYTNFYFG-UHFFFAOYSA-N 0 3 310.422 4.265 20 30 DIEDHN N#Cc1cc(CN2CCC3(C=Cc4ccccc43)CC2)ccc1F ZINC001205459357 1049476114 /nfs/dbraw/zinc/47/61/14/1049476114.db2.gz OTQAIZWDMIYCKX-UHFFFAOYSA-N 0 3 318.395 4.258 20 30 DIEDHN CCC#C[C@@H](C)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001195334757 1049520861 /nfs/dbraw/zinc/52/08/61/1049520861.db2.gz WHDSGOBJBYFPAE-CQSZACIVSA-N 0 3 302.487 4.003 20 30 DIEDHN Cc1ccc(F)c(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001205662128 1049526257 /nfs/dbraw/zinc/52/62/57/1049526257.db2.gz XUZJWNFUXMWLHU-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC001195508811 1049539895 /nfs/dbraw/zinc/53/98/95/1049539895.db2.gz MBHSWFQSDMOVKN-BBRMVZONSA-N 0 3 319.246 4.085 20 30 DIEDHN C#C[C@@H](NC[C@@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020875 1049564601 /nfs/dbraw/zinc/56/46/01/1049564601.db2.gz OPATZHIQXCLNJO-KZULUSFZSA-N 0 3 303.327 4.172 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933917 1049585318 /nfs/dbraw/zinc/58/53/18/1049585318.db2.gz WKFHSGJFDDFXHK-HIFRSBDPSA-N 0 3 320.358 4.487 20 30 DIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488185889 1049610931 /nfs/dbraw/zinc/61/09/31/1049610931.db2.gz QZYDVPPATQIVFN-QGZVFWFLSA-N 0 3 311.454 4.141 20 30 DIEDHN C#C[C@@H](N[C@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987940 1049619720 /nfs/dbraw/zinc/61/97/20/1049619720.db2.gz BCFRIBYTCZLDRH-CABCVRRESA-N 0 3 304.231 4.046 20 30 DIEDHN CC[C@@H](NCc1ccccc1N(C)CC)c1ccc(C#N)cc1 ZINC000774172957 1049617091 /nfs/dbraw/zinc/61/70/91/1049617091.db2.gz FWAPLJWUOTZRCW-LJQANCHMSA-N 0 3 307.441 4.255 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)c(Br)c1 ZINC001196329131 1049644204 /nfs/dbraw/zinc/64/42/04/1049644204.db2.gz LWUSVWAWJBHYFT-GASCZTMLSA-N 0 3 306.247 4.441 20 30 DIEDHN Cc1cc(C#N)ccc1CN(Cc1ccccc1F)CC1CC1 ZINC001196236877 1049635948 /nfs/dbraw/zinc/63/59/48/1049635948.db2.gz HSQLTPYTOWDTJT-UHFFFAOYSA-N 0 3 308.400 4.418 20 30 DIEDHN C=C(C)[C@@H](NC[C@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725954 1049670322 /nfs/dbraw/zinc/67/03/22/1049670322.db2.gz XVOYDCDJTLRGPM-RBUKOAKNSA-N 0 3 317.379 4.214 20 30 DIEDHN COc1cc(CNCc2ccc(C#N)c(F)c2)cc2ccccc21 ZINC001206293923 1049702986 /nfs/dbraw/zinc/70/29/86/1049702986.db2.gz SZBDPIVKSIPGRI-UHFFFAOYSA-N 0 3 320.367 4.149 20 30 DIEDHN CCCN(CCC#N)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207408611 1049888675 /nfs/dbraw/zinc/88/86/75/1049888675.db2.gz ZRVBFVOGOMTXPK-GOSISDBHSA-N 0 3 306.494 4.280 20 30 DIEDHN CC[C@@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1ccccc1[O-] ZINC000156592507 1049933468 /nfs/dbraw/zinc/93/34/68/1049933468.db2.gz NZEAUYVVVRWGQJ-QFBILLFUSA-N 0 3 324.424 4.314 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)c(C)c1OC ZINC000588215981 1049976605 /nfs/dbraw/zinc/97/66/05/1049976605.db2.gz MTEKOJHBUPRKQR-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN CCN(CCCc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC001208864822 1050018080 /nfs/dbraw/zinc/01/80/80/1050018080.db2.gz VHVPDYGTLMJQEQ-UHFFFAOYSA-N 0 3 314.379 4.291 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000589300390 1050025448 /nfs/dbraw/zinc/02/54/48/1050025448.db2.gz SAUXNLVYVAMDSN-RBUKOAKNSA-N 0 3 324.468 4.021 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CSCc3ccccc31)CC2 ZINC000589336744 1050027333 /nfs/dbraw/zinc/02/73/33/1050027333.db2.gz HUETYQNAMJJSOJ-OALUTQOASA-N 0 3 306.434 4.123 20 30 DIEDHN C=CCCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001209201804 1050044112 /nfs/dbraw/zinc/04/41/12/1050044112.db2.gz TTWURDBKAPOZAK-SFHVURJKSA-N 0 3 314.473 4.453 20 30 DIEDHN C=CCCN(Cc1c(C)nc2ccccn21)Cc1ccccc1 ZINC001209651495 1050074154 /nfs/dbraw/zinc/07/41/54/1050074154.db2.gz ZDQCLSPTBKGCOP-UHFFFAOYSA-N 0 3 305.425 4.221 20 30 DIEDHN Cc1cc(Cl)cc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000590190403 1050081121 /nfs/dbraw/zinc/08/11/21/1050081121.db2.gz CEBDPWIBVCUQCT-UHFFFAOYSA-N 0 3 305.208 4.463 20 30 DIEDHN N#CCCCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000057626613 1050103798 /nfs/dbraw/zinc/10/37/98/1050103798.db2.gz AHQNVSQKWJCYPU-MRXNPFEDSA-N 0 3 302.468 4.451 20 30 DIEDHN N#CC1(CCN[C@@H](Cn2cccn2)c2ccccc2)CCCCC1 ZINC000591018808 1050118136 /nfs/dbraw/zinc/11/81/36/1050118136.db2.gz DLSXOSXOAVIXLS-IBGZPJMESA-N 0 3 322.456 4.078 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2c1cc(F)cc2F ZINC000591348891 1050141867 /nfs/dbraw/zinc/14/18/67/1050141867.db2.gz WJNUCYCFGITWAF-UXHICEINSA-N 0 3 324.374 4.491 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348837 1050141930 /nfs/dbraw/zinc/14/19/30/1050141930.db2.gz IPLOTMFWGIYBRN-FOIQADDNSA-N 0 3 305.425 4.298 20 30 DIEDHN CN(Cc1ccncc1C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000592125207 1050270516 /nfs/dbraw/zinc/27/05/16/1050270516.db2.gz UXDMYEBFKXTHBW-WOJBJXKFSA-N 0 3 305.425 4.111 20 30 DIEDHN N#CCCC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000592136097 1050270610 /nfs/dbraw/zinc/27/06/10/1050270610.db2.gz PUJNIIBYNZMTDU-UHFFFAOYSA-N 0 3 321.424 4.390 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000592212163 1050283010 /nfs/dbraw/zinc/28/30/10/1050283010.db2.gz PUTXKOKYZXHHSJ-OCCSQVGLSA-N 0 3 316.754 4.422 20 30 DIEDHN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000592391634 1050297178 /nfs/dbraw/zinc/29/71/78/1050297178.db2.gz QAPUAZQLBYMUMS-CYBMUJFWSA-N 0 3 313.470 4.492 20 30 DIEDHN CC(C)C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccncc1 ZINC000592390242 1050298040 /nfs/dbraw/zinc/29/80/40/1050298040.db2.gz KNNYIJCEFKTCKY-GOSISDBHSA-N 0 3 313.832 4.484 20 30 DIEDHN N#CCCN(Cc1ccc2nc[nH]c2c1)C1CCCCCCC1 ZINC001137045848 1050313205 /nfs/dbraw/zinc/31/32/05/1050313205.db2.gz XFPIJSSAWGCCAO-UHFFFAOYSA-N 0 3 310.445 4.391 20 30 DIEDHN CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000046441645 1050453416 /nfs/dbraw/zinc/45/34/16/1050453416.db2.gz GEUGXVOSKWZVJB-AWEZNQCLSA-N 0 3 322.389 4.185 20 30 DIEDHN N#CC(C(=O)CCCC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000046441239 1050456056 /nfs/dbraw/zinc/45/60/56/1050456056.db2.gz LZXASQPWWRSKGW-HNNXBMFYSA-N 0 3 309.413 4.490 20 30 DIEDHN N#CC(C(=O)CCCC1CCCCC1)c1nc2ccccc2[nH]1 ZINC000046441242 1050456068 /nfs/dbraw/zinc/45/60/68/1050456068.db2.gz LZXASQPWWRSKGW-OAHLLOKOSA-N 0 3 309.413 4.490 20 30 DIEDHN N#CC1(CN[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171139041 1050464434 /nfs/dbraw/zinc/46/44/34/1050464434.db2.gz IJYSSUGEHLWKLJ-CYBMUJFWSA-N 0 3 309.240 4.134 20 30 DIEDHN CCc1cc(CN(C)Cc2ccc(C#N)cc2)cc(CC)c1O ZINC001144147496 1050480990 /nfs/dbraw/zinc/48/09/90/1050480990.db2.gz BHCDJDLXYIBYEE-UHFFFAOYSA-N 0 3 308.425 4.021 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594506937 1050520255 /nfs/dbraw/zinc/52/02/55/1050520255.db2.gz ZXGMEYNGTVYQOR-UHFFFAOYSA-N 0 3 320.436 4.342 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCc4c3cc(F)cc4F)CCC2)cc1 ZINC000594516092 1050524772 /nfs/dbraw/zinc/52/47/72/1050524772.db2.gz AXIZBNDOJDKKQU-LJQANCHMSA-N 0 3 324.374 4.493 20 30 DIEDHN COc1ccc2c(c1)[C@H](NC1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594512115 1050525086 /nfs/dbraw/zinc/52/50/86/1050525086.db2.gz BSMMVUSRGKSMMC-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc(C#N)c1 ZINC000594516864 1050525307 /nfs/dbraw/zinc/52/53/07/1050525307.db2.gz GRTXZBDTTNFDAV-HNNXBMFYSA-N 0 3 301.393 4.160 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCO2 ZINC000594512801 1050526524 /nfs/dbraw/zinc/52/65/24/1050526524.db2.gz DQAFYHNOZPYMHT-CQSZACIVSA-N 0 3 320.392 4.017 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccccc1N(C)C ZINC000594520136 1050528014 /nfs/dbraw/zinc/52/80/14/1050528014.db2.gz ZZPFQAJVXXHKGO-INIZCTEOSA-N 0 3 319.452 4.354 20 30 DIEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)cc(C)c1O ZINC000594624418 1050540892 /nfs/dbraw/zinc/54/08/92/1050540892.db2.gz PBXPUWZJTLDHTF-UHFFFAOYSA-N 0 3 306.409 4.050 20 30 DIEDHN C#CCN(Cc1ccc2cnccc2c1)[C@H]1CCc2ccccc21 ZINC000787039432 1050543193 /nfs/dbraw/zinc/54/31/93/1050543193.db2.gz JAQNJARBEVHPNQ-QFIPXVFZSA-N 0 3 312.416 4.358 20 30 DIEDHN N#CC1(c2ccc(CN[C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000594917998 1050563178 /nfs/dbraw/zinc/56/31/78/1050563178.db2.gz OBQXKZXBWUYFJW-IBGZPJMESA-N 0 3 306.384 4.158 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H]3CCc4c3cccc4F)cc2)CC1 ZINC000594917999 1050563639 /nfs/dbraw/zinc/56/36/39/1050563639.db2.gz OBQXKZXBWUYFJW-LJQANCHMSA-N 0 3 306.384 4.158 20 30 DIEDHN CCOc1cccc([C@H](C)NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919341 1050564038 /nfs/dbraw/zinc/56/40/38/1050564038.db2.gz XYMAABWWQIFSFV-INIZCTEOSA-N 0 3 320.436 4.491 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cc(Cl)ccc2F)no1 ZINC001211436198 1050566487 /nfs/dbraw/zinc/56/64/87/1050566487.db2.gz FJSSXYOXBROZRU-UHFFFAOYSA-N 0 3 321.783 4.028 20 30 DIEDHN CSc1ccc(CNC(C)(C)c2cccc(C#N)c2)s1 ZINC000594970542 1050572616 /nfs/dbraw/zinc/57/26/16/1050572616.db2.gz XDEJMUPVKUTLPR-UHFFFAOYSA-N 0 3 302.468 4.367 20 30 DIEDHN CC(C)(NCc1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000594969333 1050572644 /nfs/dbraw/zinc/57/26/44/1050572644.db2.gz PJOXIEQURQZFDM-UHFFFAOYSA-N 0 3 316.351 4.185 20 30 DIEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594932749 1050575429 /nfs/dbraw/zinc/57/54/29/1050575429.db2.gz SWCLNZTYWJDECH-IBGZPJMESA-N 0 3 318.420 4.027 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc2ccccc2n1 ZINC000845438326 1050578385 /nfs/dbraw/zinc/57/83/85/1050578385.db2.gz MWPLQOYVEWASDV-YALNPMBYSA-N 0 3 302.377 4.013 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccc2ccccc2n1 ZINC000845438000 1050579626 /nfs/dbraw/zinc/57/96/26/1050579626.db2.gz IXZTWAAFZZZNDG-ZACQAIPSSA-N 0 3 304.393 4.237 20 30 DIEDHN COC=Cc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171182997 1050582296 /nfs/dbraw/zinc/58/22/96/1050582296.db2.gz ZDLVSQRXXLRUMB-ZHACJKMWSA-N 0 3 318.376 4.200 20 30 DIEDHN N=C(Nc1ccc2[nH]ccc2c1)c1ccc2cc(O)ccc2c1 ZINC001171184213 1050584871 /nfs/dbraw/zinc/58/48/71/1050584871.db2.gz DWNMTQBTMLEHMO-UHFFFAOYSA-N 0 3 301.349 4.064 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000787331560 1050584968 /nfs/dbraw/zinc/58/49/68/1050584968.db2.gz KWAXPARGRPIETR-QGZVFWFLSA-N 0 3 312.800 4.003 20 30 DIEDHN CC(C)(C)c1cc(Nc2cc(F)c(F)c(C#N)c2F)ccn1 ZINC001213170805 1050606818 /nfs/dbraw/zinc/60/68/18/1050606818.db2.gz QDUOPMCLNZHZNZ-UHFFFAOYSA-N 0 3 305.303 4.412 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2ccccc2C(F)(F)F)cc1 ZINC001144576914 1050621545 /nfs/dbraw/zinc/62/15/45/1050621545.db2.gz VQNBTEQBLALXFT-UHFFFAOYSA-N 0 3 303.327 4.319 20 30 DIEDHN CC[C@H](/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])c1ccncc1 ZINC000741466522 1050683356 /nfs/dbraw/zinc/68/33/56/1050683356.db2.gz UNIQDVNRBIVMRK-SBGXLDQMSA-N 0 3 311.429 4.204 20 30 DIEDHN C[C@@H]1CCC[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793859 1050741439 /nfs/dbraw/zinc/74/14/39/1050741439.db2.gz BZCHSADIFURZIQ-KGLIPLIRSA-N 0 3 306.837 4.253 20 30 DIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000772956296 1050781031 /nfs/dbraw/zinc/78/10/31/1050781031.db2.gz BHMWLRDAWWMAIX-LBPRGKRZSA-N 0 3 318.779 4.232 20 30 DIEDHN N#CCCC[C@@H](NCc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846922374 1050783365 /nfs/dbraw/zinc/78/33/65/1050783365.db2.gz WIBXJILUTWMTGR-MRXNPFEDSA-N 0 3 317.795 4.399 20 30 DIEDHN C[C@H](N[C@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958321 1050793918 /nfs/dbraw/zinc/79/39/18/1050793918.db2.gz FCBSMGUVBJSZTL-LIRRHRJNSA-N 0 3 324.449 4.228 20 30 DIEDHN N#CCOc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000772958177 1050795868 /nfs/dbraw/zinc/79/58/68/1050795868.db2.gz CPMJSFALNAQBGT-SFHVURJKSA-N 0 3 312.800 4.019 20 30 DIEDHN N#CC1(c2ccc(CN3CCCc4sccc4C3)cc2)CC1 ZINC000597013547 1050797451 /nfs/dbraw/zinc/79/74/51/1050797451.db2.gz XDOGFTMCTOSQHN-UHFFFAOYSA-N 0 3 308.450 4.252 20 30 DIEDHN N#CCOc1ccc(CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789310607 1050811800 /nfs/dbraw/zinc/81/18/00/1050811800.db2.gz POCZZWMEDFQSCG-UHFFFAOYSA-N 0 3 324.399 4.050 20 30 DIEDHN CCCc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000742368602 1050822757 /nfs/dbraw/zinc/82/27/57/1050822757.db2.gz JTYDLLOYXBLXKJ-HNNXBMFYSA-N 0 3 308.425 4.370 20 30 DIEDHN C=CCCC1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001147172056 1050862730 /nfs/dbraw/zinc/86/27/30/1050862730.db2.gz GRVAFNUJOVAGDL-UHFFFAOYSA-N 0 3 314.473 4.005 20 30 DIEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)c(Cl)c1 ZINC000790773739 1050994602 /nfs/dbraw/zinc/99/46/02/1050994602.db2.gz OQVTZYIYGJUQGL-ZDUSSCGKSA-N 0 3 324.767 4.209 20 30 DIEDHN C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1cccc(C#N)c1 ZINC000743497405 1051036810 /nfs/dbraw/zinc/03/68/10/1051036810.db2.gz YLQALSPLYZDTFK-AWEZNQCLSA-N 0 3 306.409 4.123 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106094 1051063377 /nfs/dbraw/zinc/06/33/77/1051063377.db2.gz JZYVZCFWYABEKX-SFTDATJTSA-N 0 3 305.421 4.427 20 30 DIEDHN CCN(CC)c1ccc(/C=[NH+]\CCCOC2CCCC2)c([O-])c1 ZINC000747033381 1051073705 /nfs/dbraw/zinc/07/37/05/1051073705.db2.gz RCUYIDOQJUBIFW-HKWRFOASSA-N 0 3 318.461 4.007 20 30 DIEDHN C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743854960 1051077366 /nfs/dbraw/zinc/07/73/66/1051077366.db2.gz VMKUAAPLQBUKGH-MGPUTAFESA-N 0 3 324.399 4.311 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H](c2ccco2)C1 ZINC000743876396 1051087847 /nfs/dbraw/zinc/08/78/47/1051087847.db2.gz ZNCPVVFKAYXWFD-YJBOKZPZSA-N 0 3 310.397 4.155 20 30 DIEDHN N#CC(C(=O)CCc1ccc(F)cc1)c1nccc2ccccc21 ZINC000792101562 1051116238 /nfs/dbraw/zinc/11/62/38/1051116238.db2.gz GRORCSBHCNBCOS-SFHVURJKSA-N 0 3 318.351 4.183 20 30 DIEDHN C=CCN1CCC[C@H]1c1ccc(NC(C)(C)CC(C)=O)cc1 ZINC001171502604 1051156015 /nfs/dbraw/zinc/15/60/15/1051156015.db2.gz LQDMBVDMBOADHX-SFHVURJKSA-N 0 3 300.446 4.179 20 30 DIEDHN C[C@H](Cc1ccccc1Cl)NC(=N)c1ccc2ccccc2n1 ZINC001170257196 1051164002 /nfs/dbraw/zinc/16/40/02/1051164002.db2.gz VOWHEWORZOPQGC-CYBMUJFWSA-N 0 3 323.827 4.225 20 30 DIEDHN C[C@@H](Cc1ccccc1Cl)N1CCc2cc(C#N)ccc2C1 ZINC001170275598 1051169291 /nfs/dbraw/zinc/16/92/91/1051169291.db2.gz HNDWODDPNNAVGR-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN N#CC1(c2ccccc2)CCC(N2CCc3occc3C2)CC1 ZINC001170396059 1051197008 /nfs/dbraw/zinc/19/70/08/1051197008.db2.gz UHCTVNGNFVEHGI-UHFFFAOYSA-N 0 3 306.409 4.042 20 30 DIEDHN C[N@H+](Cc1ccccc1[O-])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395410 1051197697 /nfs/dbraw/zinc/19/76/97/1051197697.db2.gz JKFXLNDCZYKJEK-UHFFFAOYSA-N 0 3 320.436 4.228 20 30 DIEDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395410 1051197702 /nfs/dbraw/zinc/19/77/02/1051197702.db2.gz JKFXLNDCZYKJEK-UHFFFAOYSA-N 0 3 320.436 4.228 20 30 DIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C#N ZINC001171959132 1051243099 /nfs/dbraw/zinc/24/30/99/1051243099.db2.gz QXARADJVBZZBRP-CYBMUJFWSA-N 0 3 318.342 4.298 20 30 DIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1(C#N)CCCC1 ZINC001171958371 1051244611 /nfs/dbraw/zinc/24/46/11/1051244611.db2.gz WHKNQMSMSJUDMU-ZDUSSCGKSA-N 0 3 310.363 4.310 20 30 DIEDHN N#Cc1cc(N)ccc1Nc1cccc(CN2CCCCC2)c1F ZINC001215678980 1051295388 /nfs/dbraw/zinc/29/53/88/1051295388.db2.gz YZUWDIXMOHKWMS-UHFFFAOYSA-N 0 3 324.403 4.009 20 30 DIEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000793521143 1051306924 /nfs/dbraw/zinc/30/69/24/1051306924.db2.gz BURXDSPXCQEWCE-CVEARBPZSA-N 0 3 304.482 4.180 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)cc(Cl)cc1F ZINC001172303381 1051334107 /nfs/dbraw/zinc/33/41/07/1051334107.db2.gz XKNFWGOXRNZCEE-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN CCN(Cc1cccc(F)c1F)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311938 1051337676 /nfs/dbraw/zinc/33/76/76/1051337676.db2.gz CNPYRYWNIMZMEB-CQSZACIVSA-N 0 3 314.379 4.290 20 30 DIEDHN CCCCCCC[C@H](CC)NCc1nc(C(=O)OC)cs1 ZINC001172345796 1051364500 /nfs/dbraw/zinc/36/45/00/1051364500.db2.gz COVMISCPIJIEMJ-ZDUSSCGKSA-N 0 3 312.479 4.158 20 30 DIEDHN CCCCCCC[C@@H](CC)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001172361900 1051374855 /nfs/dbraw/zinc/37/48/55/1051374855.db2.gz OQKNSFGPPLWGIL-QGZVFWFLSA-N 0 3 322.493 4.294 20 30 DIEDHN C[C@@H](CCCC#N)NCc1csc(-c2cccc(F)c2)n1 ZINC001172492744 1051418648 /nfs/dbraw/zinc/41/86/48/1051418648.db2.gz OFZSOUZQBANUGO-LBPRGKRZSA-N 0 3 303.406 4.121 20 30 DIEDHN C[C@H](CCCC#N)NCc1csc(-c2cccc(F)c2)n1 ZINC001172492743 1051418993 /nfs/dbraw/zinc/41/89/93/1051418993.db2.gz OFZSOUZQBANUGO-GFCCVEGCSA-N 0 3 303.406 4.121 20 30 DIEDHN CCCCCCCC[C@@H](CC)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172501720 1051420555 /nfs/dbraw/zinc/42/05/55/1051420555.db2.gz JXVHERYOXIPVDI-QGZVFWFLSA-N 0 3 322.493 4.294 20 30 DIEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)c2nc(C(C)C)cs2)o1 ZINC000747193344 1051436280 /nfs/dbraw/zinc/43/62/80/1051436280.db2.gz ILINANMUPSOBSL-NEPJUHHUSA-N 0 3 302.399 4.148 20 30 DIEDHN C[C@@H](CCc1c(F)cc(Cl)cc1F)NCC1(C#N)CCC1 ZINC001172577551 1051463260 /nfs/dbraw/zinc/46/32/60/1051463260.db2.gz UUULTAVKWFCPGQ-NSHDSACASA-N 0 3 312.791 4.223 20 30 DIEDHN C[C@@H](CSc1ccc(Cl)cc1)NCC#Cc1ccccc1 ZINC001172883793 1051567570 /nfs/dbraw/zinc/56/75/70/1051567570.db2.gz UOPJRHXLGVTVIM-HNNXBMFYSA-N 0 3 315.869 4.462 20 30 DIEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493962737 1051672929 /nfs/dbraw/zinc/67/29/29/1051672929.db2.gz WBNVXFBHWBGBNN-OXJNMPFZSA-N 0 3 311.425 4.117 20 30 DIEDHN CCCCCCCC[C@@H](CCC)n1cc(CN)c(C)nc1=N ZINC001173310393 1051683640 /nfs/dbraw/zinc/68/36/40/1051683640.db2.gz UIVIYRZZBULTJG-QGZVFWFLSA-N 0 3 306.498 4.221 20 30 DIEDHN CCCCCCCCC[C@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173285583 1051687901 /nfs/dbraw/zinc/68/79/01/1051687901.db2.gz XOAWTMJEMQKWOD-ROUUACIJSA-N 0 3 323.525 4.397 20 30 DIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCC(C)(C)C)c1 ZINC000805854015 1051692698 /nfs/dbraw/zinc/69/26/98/1051692698.db2.gz ORSJGDLTOXOOMS-MRXNPFEDSA-N 0 3 314.429 4.249 20 30 DIEDHN N#CCC1CCC(n2c3ccccc3nc2[C@@H]2CCCCN2)CC1 ZINC001173337716 1051699344 /nfs/dbraw/zinc/69/93/44/1051699344.db2.gz SBMJLRVEEJXVQP-HTWSVDAQSA-N 0 3 322.456 4.496 20 30 DIEDHN C=CC[C@@H]1N(C[C@@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843664 1051712262 /nfs/dbraw/zinc/71/22/62/1051712262.db2.gz HFHUVXRNBIQWQG-CVEARBPZSA-N 0 3 309.400 4.065 20 30 DIEDHN Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853656 1051713507 /nfs/dbraw/zinc/71/35/07/1051713507.db2.gz GOUMYNMABSSAAJ-HNAYVOBHSA-N 0 3 308.400 4.384 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC001169952283 1051733301 /nfs/dbraw/zinc/73/33/01/1051733301.db2.gz CTIQKXCKHSUMOC-UHFFFAOYSA-N 0 3 309.409 4.052 20 30 DIEDHN C#CCCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000766914043 1051741717 /nfs/dbraw/zinc/74/17/17/1051741717.db2.gz UAWRNMYQRUVWHP-UHFFFAOYSA-N 0 3 306.384 4.113 20 30 DIEDHN C#CCOc1ccc(CNCc2c(C)oc3ccccc32)cc1 ZINC000767195510 1051773740 /nfs/dbraw/zinc/77/37/40/1051773740.db2.gz ZXDLVZPNJCFAOQ-UHFFFAOYSA-N 0 3 305.377 4.043 20 30 DIEDHN Cc1nc2ccc(CN[C@@H](C)c3ccc(C#N)cc3)cc2s1 ZINC000494308238 1051874880 /nfs/dbraw/zinc/87/48/80/1051874880.db2.gz HBGBJKGORPQWJI-LBPRGKRZSA-N 0 3 307.422 4.327 20 30 DIEDHN CN(C)Cc1ccccc1Nc1ccc(Cl)c(F)c1C#N ZINC001173931090 1051902018 /nfs/dbraw/zinc/90/20/18/1051902018.db2.gz UTXUFKXBQUHQSD-UHFFFAOYSA-N 0 3 303.768 4.156 20 30 DIEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)Cc2ccccc21 ZINC000768197389 1051904089 /nfs/dbraw/zinc/90/40/89/1051904089.db2.gz VKLGBCXUYKEWIR-QGZVFWFLSA-N 0 3 320.436 4.488 20 30 DIEDHN CN(C)Cc1ccccc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001173932721 1051904882 /nfs/dbraw/zinc/90/48/82/1051904882.db2.gz WTVWLCSIZARJKX-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN CN(C)Cc1ccccc1Nc1c(F)cc(C#N)cc1Cl ZINC001173932010 1051905710 /nfs/dbraw/zinc/90/57/10/1051905710.db2.gz MPYPXYRJCZCIIF-UHFFFAOYSA-N 0 3 303.768 4.156 20 30 DIEDHN CCOc1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000768513896 1051935366 /nfs/dbraw/zinc/93/53/66/1051935366.db2.gz REKHOHLNQFAWEK-HNNXBMFYSA-N 0 3 324.424 4.246 20 30 DIEDHN CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000768513896 1051935378 /nfs/dbraw/zinc/93/53/78/1051935378.db2.gz REKHOHLNQFAWEK-HNNXBMFYSA-N 0 3 324.424 4.246 20 30 DIEDHN Cn1cc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000190907106 1051954772 /nfs/dbraw/zinc/95/47/72/1051954772.db2.gz IGANMSNARNBPTH-UHFFFAOYSA-N 0 3 322.239 4.228 20 30 DIEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1-c1ccccc1 ZINC000191618206 1051980755 /nfs/dbraw/zinc/98/07/55/1051980755.db2.gz YXCGUFNSQSUPME-UHFFFAOYSA-N 0 3 315.420 4.162 20 30 DIEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191959044 1051990179 /nfs/dbraw/zinc/99/01/79/1051990179.db2.gz KERGTWDWUVLPOZ-AWEZNQCLSA-N 0 3 307.372 4.152 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769106651 1051996309 /nfs/dbraw/zinc/99/63/09/1051996309.db2.gz VTVMJKDYVRULHW-YWZLYKJASA-N 0 3 322.408 4.020 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006596 1052140378 /nfs/dbraw/zinc/14/03/78/1052140378.db2.gz YNDIRZLFIIXILK-BREBYQMCSA-N 0 3 311.212 4.099 20 30 DIEDHN N#Cc1ccc(CO[C@H]2CNCc3ccccc32)c2ccccc12 ZINC001217941826 1052175223 /nfs/dbraw/zinc/17/52/23/1052175223.db2.gz UABDIMCZJDXONN-NRFANRHFSA-N 0 3 314.388 4.073 20 30 DIEDHN CCCCCCCC(=O)c1ccc(O[C@@H]2CCNC[C@H]2F)cc1 ZINC001218066523 1052192476 /nfs/dbraw/zinc/19/24/76/1052192476.db2.gz LTFUDMVEXUTMGI-IEBWSBKVSA-N 0 3 321.436 4.309 20 30 DIEDHN C=CCCCCCCCCC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218712418 1052254117 /nfs/dbraw/zinc/25/41/17/1052254117.db2.gz YFVZFALIPBFCQM-HNNXBMFYSA-N 0 3 319.449 4.344 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cccc2c(C)c(C)[nH]c21 ZINC001219339305 1052283850 /nfs/dbraw/zinc/28/38/50/1052283850.db2.gz UIJLCQNHWZVRPW-INIZCTEOSA-N 0 3 313.445 4.187 20 30 DIEDHN CCCCCCC[C@@H](C)N[C@H](C)c1nnc2n1CCCCC2 ZINC000315889943 1052355308 /nfs/dbraw/zinc/35/53/08/1052355308.db2.gz PMRFMMPWNGECOY-HZPDHXFCSA-N 0 3 306.498 4.404 20 30 DIEDHN Cc1cc(CN[C@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000488138001 1052621452 /nfs/dbraw/zinc/62/14/52/1052621452.db2.gz WBAPGWXKTCFJJP-CYBMUJFWSA-N 0 3 316.351 4.319 20 30 DIEDHN Cc1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000154244627 1052678336 /nfs/dbraw/zinc/67/83/36/1052678336.db2.gz NQYYSUJPAQBBNM-LSDHHAIUSA-N 0 3 312.388 4.276 20 30 DIEDHN CCCCCCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224393092 1052694000 /nfs/dbraw/zinc/69/40/00/1052694000.db2.gz SSJMBYNIPVREIZ-WGSAOQKQSA-N 0 3 311.510 4.397 20 30 DIEDHN C=CCCCCCO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224428304 1052695917 /nfs/dbraw/zinc/69/59/17/1052695917.db2.gz UTKBKJFWJDNIDM-QZTJIDSGSA-N 0 3 302.462 4.370 20 30 DIEDHN C=C(CO[C@H]1CCCN([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738376 1052721506 /nfs/dbraw/zinc/72/15/06/1052721506.db2.gz DSKSLEQSCPWPKJ-ICSRJNTNSA-N 0 3 322.452 4.337 20 30 DIEDHN COc1ccccc1[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000609280905 1052807115 /nfs/dbraw/zinc/80/71/15/1052807115.db2.gz VPSFAPHAXJGPNY-IBGZPJMESA-N 0 3 306.409 4.294 20 30 DIEDHN C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3ccnc(N)c3)[C@@H]12 ZINC001226658089 1052919181 /nfs/dbraw/zinc/91/91/81/1052919181.db2.gz VHFFFYMTDUFLPK-FDQCIGCSSA-N 0 3 322.408 4.070 20 30 DIEDHN Cc1ccc(C#N)c(OC(C(=O)c2ccco2)c2ccco2)c1 ZINC001226754313 1052928108 /nfs/dbraw/zinc/92/81/08/1052928108.db2.gz OQTNFQIKBKELJA-SFHVURJKSA-N 0 3 307.305 4.056 20 30 DIEDHN CN(C)[C@@H](C/N=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000920942502 1052955431 /nfs/dbraw/zinc/95/54/31/1052955431.db2.gz DWRXXJWQUDZSMB-ALFKQNEGSA-N 0 3 318.420 4.267 20 30 DIEDHN O=C1C=C[C@H](Oc2ccc3ccccc3c2CN2CCCCC2)C1 ZINC001227277249 1052978843 /nfs/dbraw/zinc/97/88/43/1052978843.db2.gz QTXGEMYHQXWHRO-SFHVURJKSA-N 0 3 321.420 4.102 20 30 DIEDHN COc1ccc2c(c1)CCCN([C@H](C)c1ccc(C#N)cc1)C2 ZINC000609823629 1052994319 /nfs/dbraw/zinc/99/43/19/1052994319.db2.gz YFQDFCMZIHYMOJ-OAHLLOKOSA-N 0 3 306.409 4.076 20 30 DIEDHN Cc1ccc(OC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609823637 1052994335 /nfs/dbraw/zinc/99/43/35/1052994335.db2.gz ZILJFPZKRJPUOL-QGZVFWFLSA-N 0 3 320.436 4.471 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000615440002 1053017201 /nfs/dbraw/zinc/01/72/01/1053017201.db2.gz AQZQGQAQMNRYJK-UZLBHIALSA-N 0 3 306.409 4.083 20 30 DIEDHN CCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccsc1 ZINC000187776248 1053054024 /nfs/dbraw/zinc/05/40/24/1053054024.db2.gz IFGDFUZUNRRJPR-QGZVFWFLSA-N 0 3 300.427 4.281 20 30 DIEDHN CCOc1cccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541918 1053066633 /nfs/dbraw/zinc/06/66/33/1053066633.db2.gz IHOZHVHWPGOCMF-HOTGVXAUSA-N 0 3 324.424 4.399 20 30 DIEDHN N#CCC1CCN(Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000616731111 1053070404 /nfs/dbraw/zinc/07/04/04/1053070404.db2.gz GRHRILIYNUFDNR-UHFFFAOYSA-N 0 3 316.351 4.350 20 30 DIEDHN CN(C)Cc1c(OC2CCC(C#N)CC2)ccc2ccccc21 ZINC001228440925 1053104281 /nfs/dbraw/zinc/10/42/81/1053104281.db2.gz IRQXLKFQUGSCMB-UHFFFAOYSA-N 0 3 308.425 4.363 20 30 DIEDHN N#Cc1cncc(CN[C@@H](CC2CCCC2)c2ccccc2)c1 ZINC001351177970 1053145520 /nfs/dbraw/zinc/14/55/20/1053145520.db2.gz XAAWPAIMKLIANE-FQEVSTJZSA-N 0 3 305.425 4.364 20 30 DIEDHN COc1cccc2c(CN(C)Cc3cc(C#N)cs3)cccc12 ZINC001474726566 1053187317 /nfs/dbraw/zinc/18/73/17/1053187317.db2.gz PFYPPXORYIMCGP-UHFFFAOYSA-N 0 3 322.433 4.414 20 30 DIEDHN Cc1cccc(C#N)c1OC(C(=O)c1ccco1)c1ccco1 ZINC001229183433 1053269596 /nfs/dbraw/zinc/26/95/96/1053269596.db2.gz WEBMNCGOJLGYCM-SFHVURJKSA-N 0 3 307.305 4.056 20 30 DIEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1SC ZINC000618741781 1053357251 /nfs/dbraw/zinc/35/72/51/1053357251.db2.gz MNKSNILEYWZXNI-QGZVFWFLSA-N 0 3 324.449 4.066 20 30 DIEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1SC ZINC000618741775 1053358337 /nfs/dbraw/zinc/35/83/37/1053358337.db2.gz MNKSNILEYWZXNI-KRWDZBQOSA-N 0 3 324.449 4.066 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(F)(F)F)s1 ZINC000618742262 1053358510 /nfs/dbraw/zinc/35/85/10/1053358510.db2.gz LOJMSMLRBURKPZ-CQSZACIVSA-N 0 3 322.355 4.416 20 30 DIEDHN CC1(C)Cc2occc2[C@@H](N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801854 1053367747 /nfs/dbraw/zinc/36/77/47/1053367747.db2.gz BKHYLBAHLFGIFM-ROUUACIJSA-N 0 3 306.409 4.442 20 30 DIEDHN CCc1nc(C)c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806348 1053369969 /nfs/dbraw/zinc/36/99/69/1053369969.db2.gz QSRYJLZQQUGOGK-ZBEGNZNMSA-N 0 3 311.454 4.224 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001320967555 1053379599 /nfs/dbraw/zinc/37/95/99/1053379599.db2.gz IQBSLAQHYHRRJH-CQSZACIVSA-N 0 3 317.816 4.377 20 30 DIEDHN CCC[C@H](C#Cc1ccccc1)Oc1ccccc1CN(C)C ZINC001229701589 1053387016 /nfs/dbraw/zinc/38/70/16/1053387016.db2.gz KAQGOXQMOZACHI-HXUWFJFHSA-N 0 3 307.437 4.347 20 30 DIEDHN CCC[C@@H](C#Cc1ccccc1)Oc1ccccc1CN(C)C ZINC001229701588 1053388341 /nfs/dbraw/zinc/38/83/41/1053388341.db2.gz KAQGOXQMOZACHI-FQEVSTJZSA-N 0 3 307.437 4.347 20 30 DIEDHN C=C(CNCc1cc2ccccc2nc1OC)c1ccccc1 ZINC001200135451 1053408368 /nfs/dbraw/zinc/40/83/68/1053408368.db2.gz NWZKPKJTHZZYAW-UHFFFAOYSA-N 0 3 304.393 4.046 20 30 DIEDHN C=CCCCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555364825 1053436429 /nfs/dbraw/zinc/43/64/29/1053436429.db2.gz YBSPFBGGJOKBFH-UHFFFAOYSA-N 0 3 302.296 4.012 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001321896089 1053439910 /nfs/dbraw/zinc/43/99/10/1053439910.db2.gz RICFROJCJWBZDW-GJZGRUSLSA-N 0 3 318.848 4.254 20 30 DIEDHN Cc1ccncc1[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508469 1053496597 /nfs/dbraw/zinc/49/65/97/1053496597.db2.gz YXYICQNRVLQGKJ-FOIQADDNSA-N 0 3 305.425 4.380 20 30 DIEDHN Cc1cc(F)cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182755568 1053510074 /nfs/dbraw/zinc/51/00/74/1053510074.db2.gz MJXMYHYYPMVKPK-UHFFFAOYSA-N 0 3 323.415 4.082 20 30 DIEDHN N#Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1Cl ZINC000619755615 1053547371 /nfs/dbraw/zinc/54/73/71/1053547371.db2.gz NNFYUTUBGONWPZ-GOSISDBHSA-N 0 3 311.816 4.238 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc(OC)cc1 ZINC000619755692 1053547830 /nfs/dbraw/zinc/54/78/30/1053547830.db2.gz PJPKUHDWCUBLRR-SFHVURJKSA-N 0 3 314.816 4.461 20 30 DIEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755091 1053548938 /nfs/dbraw/zinc/54/89/38/1053548938.db2.gz SVCQXKSENWEVLK-AWEZNQCLSA-N 0 3 317.845 4.144 20 30 DIEDHN C=CCc1cccc(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)c1 ZINC001231011288 1053651041 /nfs/dbraw/zinc/65/10/41/1053651041.db2.gz YABFCGDJRYFBST-VQIMIIECSA-N 0 3 308.425 4.024 20 30 DIEDHN N#CCOc1cccc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC001324843247 1053684374 /nfs/dbraw/zinc/68/43/74/1053684374.db2.gz VPYJDMYGKSZDSR-GOSISDBHSA-N 0 3 312.800 4.019 20 30 DIEDHN C=C(CNCc1cc(Cl)c(OC)c(OC)c1)c1ccccc1 ZINC000620757849 1053729833 /nfs/dbraw/zinc/72/98/33/1053729833.db2.gz REZUDUXCEZZRHM-UHFFFAOYSA-N 0 3 317.816 4.160 20 30 DIEDHN N#CCOc1ccc(CN2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001325874209 1053740153 /nfs/dbraw/zinc/74/01/53/1053740153.db2.gz KTBYRXACDSSPBE-UHFFFAOYSA-N 0 3 318.420 4.026 20 30 DIEDHN CCC[C@H](NCc1cccc(OCC#N)c1)c1ccsc1 ZINC001326117596 1053755957 /nfs/dbraw/zinc/75/59/57/1053755957.db2.gz REEPHYIVAMUBSM-KRWDZBQOSA-N 0 3 300.427 4.281 20 30 DIEDHN C=C(C)C[N@@H+](CC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231470147 1053757979 /nfs/dbraw/zinc/75/79/79/1053757979.db2.gz PGNZHXBFPCEHGW-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN C=C(C)C[N@H+](CC)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231470147 1053757989 /nfs/dbraw/zinc/75/79/89/1053757989.db2.gz PGNZHXBFPCEHGW-UHFFFAOYSA-N 0 3 311.425 4.369 20 30 DIEDHN O=C1C=C2CN(Cc3cccc(-c4ccccc4)c3)CCC2S1 ZINC001231507619 1053775051 /nfs/dbraw/zinc/77/50/51/1053775051.db2.gz CADIJECTUAASMK-LJQANCHMSA-N 0 3 321.445 4.128 20 30 DIEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)CC(C)C ZINC001231616594 1053802231 /nfs/dbraw/zinc/80/22/31/1053802231.db2.gz HRLKKPMYLPLHAQ-UHFFFAOYSA-N 0 3 308.425 4.225 20 30 DIEDHN Cc1oc2ccccc2c1[C@@H](C)NCc1cccc(OCC#N)c1 ZINC001354229175 1053802287 /nfs/dbraw/zinc/80/22/87/1053802287.db2.gz OGSLXPHDPKRJJJ-CQSZACIVSA-N 0 3 320.392 4.494 20 30 DIEDHN C#Cc1cccc(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC001231659139 1053820283 /nfs/dbraw/zinc/82/02/83/1053820283.db2.gz HLLHAMLWCBHLRO-IBGZPJMESA-N 0 3 321.420 4.022 20 30 DIEDHN C#Cc1cccc(CN(C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001231660033 1053820953 /nfs/dbraw/zinc/82/09/53/1053820953.db2.gz ZTKCGKIVIRCJJN-UHFFFAOYSA-N 0 3 303.327 4.319 20 30 DIEDHN C#Cc1cccc(CN(C)Cc2cccc(Br)c2)c1 ZINC001231657903 1053822133 /nfs/dbraw/zinc/82/21/33/1053822133.db2.gz OBHKTAPPOBDSBS-UHFFFAOYSA-N 0 3 314.226 4.062 20 30 DIEDHN CSc1ccccc1CN1CCC(C#N)(c2ccccc2)CC1 ZINC001231784403 1053858316 /nfs/dbraw/zinc/85/83/16/1053858316.db2.gz XVIMQLPWMOWWIR-UHFFFAOYSA-N 0 3 322.477 4.466 20 30 DIEDHN CCC(C)(C)c1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001232078666 1053956163 /nfs/dbraw/zinc/95/61/63/1053956163.db2.gz DHRWYSQULVRUGB-KRWDZBQOSA-N 0 3 315.482 4.148 20 30 DIEDHN CCC(C)(C)c1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001232078666 1053956175 /nfs/dbraw/zinc/95/61/75/1053956175.db2.gz DHRWYSQULVRUGB-KRWDZBQOSA-N 0 3 315.482 4.148 20 30 DIEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cc1Cl ZINC001232117278 1053969098 /nfs/dbraw/zinc/96/90/98/1053969098.db2.gz XQWMHVKIYWXJCW-IYBDPMFKSA-N 0 3 308.812 4.298 20 30 DIEDHN N#CC1(c2ccccc2)CC(N[C@H](c2ccccn2)C2CCC2)C1 ZINC001329175508 1053971430 /nfs/dbraw/zinc/97/14/30/1053971430.db2.gz VINZOCANKQQXTA-CKHPTIKVSA-N 0 3 317.436 4.136 20 30 DIEDHN CN(CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)s1 ZINC001232846382 1054129798 /nfs/dbraw/zinc/12/97/98/1054129798.db2.gz IQZGGZQOZXFACQ-UHFFFAOYSA-N 0 3 324.371 4.313 20 30 DIEDHN C[C@@H](NCc1cc(Cl)cc(C#N)c1)c1ccc(N(C)C)cc1 ZINC001332896718 1054131188 /nfs/dbraw/zinc/13/11/88/1054131188.db2.gz BSWRWFGJMVQUJD-CYBMUJFWSA-N 0 3 313.832 4.128 20 30 DIEDHN C=CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000848537196 1054132923 /nfs/dbraw/zinc/13/29/23/1054132923.db2.gz BJIUMEJJCSXYBX-IBGZPJMESA-N 0 3 305.425 4.290 20 30 DIEDHN N#CCC1CCN(Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888637 1054140388 /nfs/dbraw/zinc/14/03/88/1054140388.db2.gz RASIKNWQEKFSOI-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN CC(C)(O)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000848548265 1054143192 /nfs/dbraw/zinc/14/31/92/1054143192.db2.gz YWSHBSNGFAKOEK-UHFFFAOYSA-N 0 3 322.452 4.005 20 30 DIEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccnc(Cl)c1 ZINC000848567211 1054152846 /nfs/dbraw/zinc/15/28/46/1054152846.db2.gz QWUUINCCEAAANE-ZDUSSCGKSA-N 0 3 311.816 4.337 20 30 DIEDHN Cc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c([O-])c1 ZINC000848567526 1054154927 /nfs/dbraw/zinc/15/49/27/1054154927.db2.gz XLIOFYFCRUKLTH-HNNXBMFYSA-N 0 3 306.409 4.302 20 30 DIEDHN CCCCCCCCCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233016257 1054174937 /nfs/dbraw/zinc/17/49/37/1054174937.db2.gz QQCFLQVPTMRZAU-UHFFFAOYSA-N 0 3 309.450 4.376 20 30 DIEDHN C=CCCCCN(C)Cc1ccc(Cl)c(Br)n1 ZINC001233093021 1054186467 /nfs/dbraw/zinc/18/64/67/1054186467.db2.gz DELOLSLBXNEFMD-UHFFFAOYSA-N 0 3 317.658 4.286 20 30 DIEDHN Cc1csc(C2(NCCCCC3(C#N)CCC3)CCC2)n1 ZINC001335779916 1054224468 /nfs/dbraw/zinc/22/44/68/1054224468.db2.gz GWQSKQMHRIIMPD-UHFFFAOYSA-N 0 3 303.475 4.285 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001233290230 1054225032 /nfs/dbraw/zinc/22/50/32/1054225032.db2.gz QERGGHXXAXNCKM-UHFFFAOYSA-N 0 3 317.816 4.242 20 30 DIEDHN C=CCC[C@@H](NC[C@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991349 1054374454 /nfs/dbraw/zinc/37/44/54/1054374454.db2.gz MKNSNKUBWONGGU-AEFFLSMTSA-N 0 3 303.377 4.403 20 30 DIEDHN N#CC(C(=O)C1=C(c2ccccc2)CCCC1)c1cccc(F)n1 ZINC001342697539 1054428595 /nfs/dbraw/zinc/42/85/95/1054428595.db2.gz FRVCVABKWJVNRI-QGZVFWFLSA-N 0 3 320.367 4.425 20 30 DIEDHN N#CC(C(=O)c1cc(C2CC2)oc1C1CC1)c1cccc(F)n1 ZINC001342880570 1054431667 /nfs/dbraw/zinc/43/16/67/1054431667.db2.gz PQVKBEZNQWPXFF-CYBMUJFWSA-N 0 3 310.328 4.059 20 30 DIEDHN N#CC(C(=O)C[C@H]1CCCC1(F)F)c1ccc2ccccc2n1 ZINC001343289760 1054441970 /nfs/dbraw/zinc/44/19/70/1054441970.db2.gz VAGFXNGCWSEBMG-ZIAGYGMSSA-N 0 3 314.335 4.237 20 30 DIEDHN CN(c1ccc(F)cc1)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC001234279592 1054483473 /nfs/dbraw/zinc/48/34/73/1054483473.db2.gz RLRWWPNVUQGFEN-UHFFFAOYSA-N 0 3 323.415 4.329 20 30 DIEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345622009 1054504017 /nfs/dbraw/zinc/50/40/17/1054504017.db2.gz SLNKWYHXWFFHGK-WFASDCNBSA-N 0 3 314.335 4.038 20 30 DIEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC001346097232 1054527160 /nfs/dbraw/zinc/52/71/60/1054527160.db2.gz ZVAVOYXDKWZBPF-ZDUSSCGKSA-N 0 3 321.852 4.246 20 30 DIEDHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775775 1054532746 /nfs/dbraw/zinc/53/27/46/1054532746.db2.gz CSVHYBBMMHRTDA-WMLDXEAASA-N 0 3 324.428 4.009 20 30 DIEDHN CCC[C@H]1[C@H](C)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775772 1054533086 /nfs/dbraw/zinc/53/30/86/1054533086.db2.gz CSVHYBBMMHRTDA-PBHICJAKSA-N 0 3 324.428 4.009 20 30 DIEDHN CC1(C#N)CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234996300 1054638828 /nfs/dbraw/zinc/63/88/28/1054638828.db2.gz FGTDAQVLZYSDQE-UHFFFAOYSA-N 0 3 306.409 4.185 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001450808030 1054661402 /nfs/dbraw/zinc/66/14/02/1054661402.db2.gz XXULRAPCOVVECB-MJGOQNOKSA-N 0 3 316.489 4.126 20 30 DIEDHN C#C[C@H](N[C@@H]1CC[C@@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547414 1054822960 /nfs/dbraw/zinc/82/29/60/1054822960.db2.gz ZSSNJRQZDJSCHX-OWCLPIDISA-N 0 3 306.247 4.148 20 30 DIEDHN Cc1ccc(-c2cccc(CN3CCCCC3)c2F)c(C#N)n1 ZINC001236013005 1054897068 /nfs/dbraw/zinc/89/70/68/1054897068.db2.gz XJAUBESURBHDOS-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN Cc1cc(C)c(C#N)c(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236235258 1055026019 /nfs/dbraw/zinc/02/60/19/1055026019.db2.gz YLIZSRYOFYQDLN-UHFFFAOYSA-N 0 3 323.415 4.362 20 30 DIEDHN Cc1ccc(CC#N)c(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236244312 1055029308 /nfs/dbraw/zinc/02/93/08/1055029308.db2.gz JYKPJUYRTBBBJR-UHFFFAOYSA-N 0 3 323.415 4.248 20 30 DIEDHN Cc1ccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc1C#N ZINC001236471757 1055131646 /nfs/dbraw/zinc/13/16/46/1055131646.db2.gz KNCSSAPFBZAPDR-MOPGFXCFSA-N 0 3 315.420 4.082 20 30 DIEDHN Cc1ccc(C#N)nc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236471482 1055132128 /nfs/dbraw/zinc/13/21/28/1055132128.db2.gz FNCXKQDTFGVLRC-UXHICEINSA-N 0 3 315.420 4.082 20 30 DIEDHN COc1ccc(-c2ccc(C#N)cc2F)c(CN2CCCCC2)c1 ZINC001236532695 1055164888 /nfs/dbraw/zinc/16/48/88/1055164888.db2.gz BGOPFJXPAKDQJC-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(SC)cc2)cc1 ZINC000765308915 1055362270 /nfs/dbraw/zinc/36/22/70/1055362270.db2.gz XMLOQZMNGOVHTR-OAHLLOKOSA-N 0 3 311.450 4.271 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000765426538 1055386808 /nfs/dbraw/zinc/38/68/08/1055386808.db2.gz NCYKMGYESNTFTM-VLIAUNLRSA-N 0 3 309.384 4.176 20 30 DIEDHN COc1ccc2c(c1)nccc2N[C@H](C)c1ccc(C#N)cc1 ZINC000765468287 1055396439 /nfs/dbraw/zinc/39/64/39/1055396439.db2.gz NKRVNBHGBGRIBN-CYBMUJFWSA-N 0 3 303.365 4.288 20 30 DIEDHN C#Cc1ccc(CN2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)cc1 ZINC001237245860 1055408212 /nfs/dbraw/zinc/40/82/12/1055408212.db2.gz JTHLJDZLXUZOQK-ICSRJNTNSA-N 0 3 322.839 4.105 20 30 DIEDHN CN(Cc1cc(Cl)cc(C#N)c1)Cc1cccc2cccnc21 ZINC001237752743 1055521760 /nfs/dbraw/zinc/52/17/60/1055521760.db2.gz YGEZBIPSSLUGMS-UHFFFAOYSA-N 0 3 321.811 4.392 20 30 DIEDHN N#Cc1cc(Cl)cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001237753709 1055522468 /nfs/dbraw/zinc/52/24/68/1055522468.db2.gz NSBYKXYOPITEDS-IYBDPMFKSA-N 0 3 308.812 4.298 20 30 DIEDHN C=C(C)CCNCc1cc(Cl)c(C)cc1Br ZINC001620945675 1055561772 /nfs/dbraw/zinc/56/17/72/1055561772.db2.gz PRFNTYBKCWQWNQ-UHFFFAOYSA-N 0 3 302.643 4.467 20 30 DIEDHN Cc1cc(F)cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1[O-] ZINC001238063507 1055598782 /nfs/dbraw/zinc/59/87/82/1055598782.db2.gz XNPUJIBRHBFQIG-UHFFFAOYSA-N 0 3 324.399 4.091 20 30 DIEDHN N#Cc1ccc(C2CCN(Cc3cncc(C4CC4)c3)CC2)cc1 ZINC001238194730 1055617862 /nfs/dbraw/zinc/61/78/62/1055617862.db2.gz PGLWCPSJVVLMLO-UHFFFAOYSA-N 0 3 317.436 4.210 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1cncc(OC(C)C)c1 ZINC001238469554 1055665656 /nfs/dbraw/zinc/66/56/56/1055665656.db2.gz TVDVKSDTYVQCLC-UHFFFAOYSA-N 0 3 310.441 4.447 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N(C)[C@H]1CCCN(C)C1 ZINC001566161927 1055745522 /nfs/dbraw/zinc/74/55/22/1055745522.db2.gz XLHMBQGUKSRHQU-XOVFHRFOSA-N 0 3 308.510 4.236 20 30 DIEDHN CCc1cc(CN2CCC[C@H]2c2ccccc2OC)ccc1C#N ZINC001238778734 1055749796 /nfs/dbraw/zinc/74/97/96/1055749796.db2.gz QELIODBNRBLSNI-FQEVSTJZSA-N 0 3 320.436 4.466 20 30 DIEDHN CCc1cc(CN(C)[C@H](C)c2ccc(OC)cc2)ccc1C#N ZINC001238779053 1055751301 /nfs/dbraw/zinc/75/13/01/1055751301.db2.gz SVTAULXIOZGVES-OAHLLOKOSA-N 0 3 308.425 4.322 20 30 DIEDHN C=CCCCN(CC)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001620646746 1055976534 /nfs/dbraw/zinc/97/65/34/1055976534.db2.gz OAWYXTJZDJYCJV-OKILXGFUSA-N 0 3 305.384 4.212 20 30 DIEDHN CCN(CC)Cc1cc(-c2cc(F)c(C#N)c(F)c2)ccc1F ZINC001239931811 1056166986 /nfs/dbraw/zinc/16/69/86/1056166986.db2.gz VFCWQFZGGWSVIA-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN N#CCCCOc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000106477435 1056244901 /nfs/dbraw/zinc/24/49/01/1056244901.db2.gz BPWKAUMLVRWXJQ-FQEVSTJZSA-N 0 3 324.399 4.285 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000106477431 1056245357 /nfs/dbraw/zinc/24/53/57/1056245357.db2.gz BPWKAUMLVRWXJQ-HXUWFJFHSA-N 0 3 324.399 4.285 20 30 DIEDHN C=CCCCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001584236927 1056296620 /nfs/dbraw/zinc/29/66/20/1056296620.db2.gz VUXFRFDGTZPOBO-UHFFFAOYSA-N 0 3 314.351 4.062 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(C#N)c(F)c3)c(C)c2)CC1 ZINC001240144677 1056353031 /nfs/dbraw/zinc/35/30/31/1056353031.db2.gz XFKGGSWWFQBYIA-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000404696959 1056412075 /nfs/dbraw/zinc/41/20/75/1056412075.db2.gz WLWOYKWZLBMGFU-CQSZACIVSA-N 0 3 308.400 4.427 20 30 DIEDHN C=CC1(CC(=O)N(CCN(C)C)C2CCCCC2)CCCCC1 ZINC001584968696 1056453334 /nfs/dbraw/zinc/45/33/34/1056453334.db2.gz ZHCBKUHLJDPRBC-UHFFFAOYSA-N 0 3 320.521 4.236 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000072742243 1056468062 /nfs/dbraw/zinc/46/80/62/1056468062.db2.gz XTQXJUYINOBPAM-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN COc1ccc2cc(CNCc3cccc(C#N)c3)ccc2c1 ZINC000011104418 1056941465 /nfs/dbraw/zinc/94/14/65/1056941465.db2.gz GIDMULAYZSEHMM-UHFFFAOYSA-N 0 3 302.377 4.010 20 30 DIEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922539734 1057030316 /nfs/dbraw/zinc/03/03/16/1057030316.db2.gz DBKLYNWINIXRBW-CQSZACIVSA-N 0 3 321.380 4.001 20 30 DIEDHN CN(C)c1cccc([C@H]2CCCN2Cc2cc(C#N)cs2)c1 ZINC000093512933 1057038061 /nfs/dbraw/zinc/03/80/61/1057038061.db2.gz DDMQHWCVXHOUBK-GOSISDBHSA-N 0 3 311.454 4.023 20 30 DIEDHN C[C@@H]1Cc2cc(CNCc3ccc(C(C)(C)C#N)cc3)ccc2O1 ZINC000922702001 1057050513 /nfs/dbraw/zinc/05/05/13/1057050513.db2.gz UDPZXQHUJOUZCI-OAHLLOKOSA-N 0 3 320.436 4.101 20 30 DIEDHN Cc1ccc(CNCc2ccccc2CC(F)(F)F)cc1C#N ZINC000922759403 1057055190 /nfs/dbraw/zinc/05/51/90/1057055190.db2.gz HBUYTQXEKZRMRV-UHFFFAOYSA-N 0 3 318.342 4.261 20 30 DIEDHN Cc1cc(F)cc(C2=CCN(Cc3ccccc3)CC2)c1C#N ZINC001241504275 1057074835 /nfs/dbraw/zinc/07/48/35/1057074835.db2.gz QTLOIILINDROBM-UHFFFAOYSA-N 0 3 306.384 4.295 20 30 DIEDHN N#CCc1ccc(F)c(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241506292 1057077371 /nfs/dbraw/zinc/07/73/71/1057077371.db2.gz AWPRSBDVXKDBOC-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN COc1ccc([C@@H](NCc2csc(C#N)c2)C2CCC2)cc1 ZINC000922886697 1057086069 /nfs/dbraw/zinc/08/60/69/1057086069.db2.gz CSCAFNOZBXXBMC-SFHVURJKSA-N 0 3 312.438 4.259 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017399 1057106557 /nfs/dbraw/zinc/10/65/57/1057106557.db2.gz BICLMSPZKNWMJH-RHSMWYFYSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017401 1057106708 /nfs/dbraw/zinc/10/67/08/1057106708.db2.gz BICLMSPZKNWMJH-YOEHRIQHSA-N 0 3 311.385 4.266 20 30 DIEDHN C=CC[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccncc1 ZINC000766021828 1057120969 /nfs/dbraw/zinc/12/09/69/1057120969.db2.gz UXLUGGZKXCDVRX-JXFKEZNVSA-N 0 3 318.424 4.235 20 30 DIEDHN CC[NH+]1CCC(c2ccc(-c3ccc([O-])c(C#N)c3)cc2)CC1 ZINC001242565762 1057407117 /nfs/dbraw/zinc/40/71/17/1057407117.db2.gz CCVVMCXYMXVGCK-UHFFFAOYSA-N 0 3 306.409 4.130 20 30 DIEDHN C=C(CN[C@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000675781882 1057413536 /nfs/dbraw/zinc/41/35/36/1057413536.db2.gz FSWHKMMCFZBGDL-GOSISDBHSA-N 0 3 317.436 4.295 20 30 DIEDHN CC#Cc1cncc(-c2ccc(F)c(CN3CCCCC3)c2)c1 ZINC001242942060 1057524909 /nfs/dbraw/zinc/52/49/09/1057524909.db2.gz OKHWMRSQCYFBGJ-UHFFFAOYSA-N 0 3 308.400 4.245 20 30 DIEDHN C=CCC1(NCc2nnc(-c3ccc(C)cc3)o2)CCCCC1 ZINC000625937113 1057539538 /nfs/dbraw/zinc/53/95/38/1057539538.db2.gz LVBNSEQQTHBSLP-UHFFFAOYSA-N 0 3 311.429 4.414 20 30 DIEDHN N#Cc1ccc(CN(Cc2nccc3ccccc32)C2CC2)cc1 ZINC000611254277 1057586298 /nfs/dbraw/zinc/58/62/98/1057586298.db2.gz MYTUDINWBQFHEU-UHFFFAOYSA-N 0 3 313.404 4.271 20 30 DIEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1cccc(C#N)c1 ZINC000611388662 1057594303 /nfs/dbraw/zinc/59/43/03/1057594303.db2.gz RHCQEZIRAMAARL-HNNXBMFYSA-N 0 3 303.409 4.210 20 30 DIEDHN N#Cc1cc(CN[C@H](CC2CCCC2)c2ccccc2)ccn1 ZINC000611406257 1057598348 /nfs/dbraw/zinc/59/83/48/1057598348.db2.gz DDRRBPARWOQTGK-HXUWFJFHSA-N 0 3 305.425 4.364 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC1(c2cccc(F)c2)CC1 ZINC000611474625 1057601968 /nfs/dbraw/zinc/60/19/68/1057601968.db2.gz RZDACORFECMFBS-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN COc1ccc(C2(N[C@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000611471708 1057602427 /nfs/dbraw/zinc/60/24/27/1057602427.db2.gz JBAQDAUEQWIOKA-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1Cl ZINC000732916358 1057789965 /nfs/dbraw/zinc/78/99/65/1057789965.db2.gz UDJSCDKVBFNOEN-GFCCVEGCSA-N 0 3 300.789 4.071 20 30 DIEDHN C#CCCOc1ccc(CN[C@H](CC)c2ccccc2OC)cc1 ZINC000733324403 1057813098 /nfs/dbraw/zinc/81/30/98/1057813098.db2.gz WHDLLKFQNIFXDS-HXUWFJFHSA-N 0 3 323.436 4.338 20 30 DIEDHN COc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1C#N ZINC001244710984 1058033370 /nfs/dbraw/zinc/03/33/70/1058033370.db2.gz RGONDNSJIQXAKL-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN N#Cc1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1F ZINC001245072703 1058107275 /nfs/dbraw/zinc/10/72/75/1058107275.db2.gz PWMDKTPWUAJDTF-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC001517064397 1058226184 /nfs/dbraw/zinc/22/61/84/1058226184.db2.gz KAZGFZXATYKAGD-YJBOKZPZSA-N 0 3 323.440 4.396 20 30 DIEDHN C=CC1(CC(=O)N(CC(C)C)C2CCN(C)CC2)CCCCC1 ZINC001527900279 1058266884 /nfs/dbraw/zinc/26/68/84/1058266884.db2.gz AIDBNJJRIUMWPS-UHFFFAOYSA-N 0 3 320.521 4.092 20 30 DIEDHN CCCCCCCCCN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001278436439 1058746782 /nfs/dbraw/zinc/74/67/82/1058746782.db2.gz JZZQAHSESFCDQY-BGYRXZFFSA-N 0 3 322.537 4.065 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001559506918 1059297002 /nfs/dbraw/zinc/29/70/02/1059297002.db2.gz HQMSOUOUYYWZEB-HNNXBMFYSA-N 0 3 311.256 4.353 20 30 DIEDHN C=CC1CCN(Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001559541611 1059342110 /nfs/dbraw/zinc/34/21/10/1059342110.db2.gz AVHXXCTZGABKHN-UHFFFAOYSA-N 0 3 308.425 4.059 20 30 DIEDHN Clc1cccc(C#CCN2CC[C@H](Cc3ccccc3)C2)c1 ZINC001559560974 1059381421 /nfs/dbraw/zinc/38/14/21/1059381421.db2.gz WNTVGZJXOMMRKU-LJQANCHMSA-N 0 3 309.840 4.256 20 30 DIEDHN CCCN(CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001559574400 1059405586 /nfs/dbraw/zinc/40/55/86/1059405586.db2.gz YOUZLYMECGBEQG-SJORKVTESA-N 0 3 304.478 4.130 20 30 DIEDHN N#CC1(CCCCN2CCOC3(C2)CCCCCC3)CCC1 ZINC001559596528 1059431572 /nfs/dbraw/zinc/43/15/72/1059431572.db2.gz VMGRVPJENPTVDE-UHFFFAOYSA-N 0 3 304.478 4.276 20 30 DIEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1ccc(CC#N)cc1 ZINC001559658183 1059487867 /nfs/dbraw/zinc/48/78/67/1059487867.db2.gz CGHMOYVAINMQGV-HUUCEWRRSA-N 0 3 308.400 4.400 20 30 DIEDHN C=CCN(Cc1ccc(OC)c(SC(F)(F)F)c1)C1CC1 ZINC001559676711 1059500574 /nfs/dbraw/zinc/50/05/74/1059500574.db2.gz PBACRJKSVBNPJZ-UHFFFAOYSA-N 0 3 317.376 4.458 20 30 DIEDHN N#Cc1ccc(C2=CCN(Cc3ccccc3CF)CC2)cc1 ZINC001559714605 1059540572 /nfs/dbraw/zinc/54/05/72/1059540572.db2.gz BWVTWJNCDKLDML-UHFFFAOYSA-N 0 3 306.384 4.317 20 30 DIEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775701 1059612668 /nfs/dbraw/zinc/61/26/68/1059612668.db2.gz MLLNPTAWFZDSJX-SJORKVTESA-N 0 3 320.864 4.285 20 30 DIEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775698 1059612766 /nfs/dbraw/zinc/61/27/66/1059612766.db2.gz MLLNPTAWFZDSJX-IAGOWNOFSA-N 0 3 320.864 4.285 20 30 DIEDHN CCC#C[C@H](C)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830983 1059663968 /nfs/dbraw/zinc/66/39/68/1059663968.db2.gz TXACMOYKUPKITC-LRDDRELGSA-N 0 3 311.347 4.428 20 30 DIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(CF)cc2)s1 ZINC001525423118 1059878622 /nfs/dbraw/zinc/87/86/22/1059878622.db2.gz IHZNXSIJIZTJHY-ZDUSSCGKSA-N 0 3 316.401 4.400 20 30 DIEDHN C#C[C@@H]1CCCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001248660382 1059928122 /nfs/dbraw/zinc/92/81/22/1059928122.db2.gz RPGLOJIATRNIAI-QGZVFWFLSA-N 0 3 315.457 4.106 20 30 DIEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC001525552517 1059934213 /nfs/dbraw/zinc/93/42/13/1059934213.db2.gz ITQZZTYTXMDZMA-INIZCTEOSA-N 0 3 322.880 4.051 20 30 DIEDHN C=CCc1cc(CN[C@H]2CCc3cc(C)ccc32)cc(OC)c1O ZINC001560310171 1060098233 /nfs/dbraw/zinc/09/82/33/1060098233.db2.gz NDZCCXIJAWKCCC-IBGZPJMESA-N 0 3 323.436 4.215 20 30 DIEDHN C=C(CNCc1cn(-c2ccc(C)cc2)nc1C)c1ccccc1 ZINC001560314881 1060102828 /nfs/dbraw/zinc/10/28/28/1060102828.db2.gz PNGNUZIKYPBDDP-UHFFFAOYSA-N 0 3 317.436 4.292 20 30 DIEDHN C=CCN(Cc1cnc(C)nc1C(F)(F)F)C1CCCCC1 ZINC001249401115 1060237468 /nfs/dbraw/zinc/23/74/68/1060237468.db2.gz YVBKGOAOZWQDHG-UHFFFAOYSA-N 0 3 313.367 4.125 20 30 DIEDHN C=C[C@H](COC)NCc1ccc(-c2ccc(Cl)cc2)s1 ZINC001560448161 1060239571 /nfs/dbraw/zinc/23/95/71/1060239571.db2.gz UIKQIRIYIZTZBK-CQSZACIVSA-N 0 3 307.846 4.359 20 30 DIEDHN C=C[C@@H](COC)NCc1ccc(-c2ccc(Cl)cc2)s1 ZINC001560448160 1060239788 /nfs/dbraw/zinc/23/97/88/1060239788.db2.gz UIKQIRIYIZTZBK-AWEZNQCLSA-N 0 3 307.846 4.359 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC[C@H]3c3cccs3)[nH]c2c1 ZINC001249429063 1060245353 /nfs/dbraw/zinc/24/53/53/1060245353.db2.gz MBWUJEZFFQHPBP-KRWDZBQOSA-N 0 3 307.422 4.438 20 30 DIEDHN C#CCOc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC001560477591 1060266046 /nfs/dbraw/zinc/26/60/46/1060266046.db2.gz QSZHGXUKBWPGRO-UHFFFAOYSA-N 0 3 320.219 4.295 20 30 DIEDHN N#CC(C(=O)C1CCC=CCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001526620393 1060282571 /nfs/dbraw/zinc/28/25/71/1060282571.db2.gz KNORNPKLKYTCKG-GFCCVEGCSA-N 0 3 313.788 4.139 20 30 DIEDHN CC(C)(CC#N)CNCc1cc(Cl)ccc1OCC1CC1 ZINC001560500130 1060292487 /nfs/dbraw/zinc/29/24/87/1060292487.db2.gz DHQSFBBZQWYERY-UHFFFAOYSA-N 0 3 306.837 4.158 20 30 DIEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC001560538949 1060342539 /nfs/dbraw/zinc/34/25/39/1060342539.db2.gz JWHZEAAMFWTVHO-INIZCTEOSA-N 0 3 323.436 4.427 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccccc3)CC2)c1F ZINC001249687324 1060348133 /nfs/dbraw/zinc/34/81/33/1060348133.db2.gz AOLQORUQWGLHAK-QGZVFWFLSA-N 0 3 308.400 4.467 20 30 DIEDHN CCCCCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC001527132889 1060444967 /nfs/dbraw/zinc/44/49/67/1060444967.db2.gz BQTBABIQFXYKLW-SFHVURJKSA-N 0 3 316.489 4.257 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001560721107 1060581989 /nfs/dbraw/zinc/58/19/89/1060581989.db2.gz WOVGEDFWUYKYJZ-UHFFFAOYSA-N 0 3 300.377 4.411 20 30 DIEDHN CC#CCCNCc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001560723363 1060584962 /nfs/dbraw/zinc/58/49/62/1060584962.db2.gz VUILIBMAQXHEAR-UHFFFAOYSA-N 0 3 319.326 4.399 20 30 DIEDHN C#CCCCCCCNCc1ccsc1Br ZINC001560784670 1060647558 /nfs/dbraw/zinc/64/75/58/1060647558.db2.gz TVBUEGIYZCKXOR-UHFFFAOYSA-N 0 3 300.265 4.184 20 30 DIEDHN Cc1cc(CN2CC(Cc3ccc(Cl)cc3)C2)ccc1C#N ZINC001560876098 1060735381 /nfs/dbraw/zinc/73/53/81/1060735381.db2.gz VHOABFMFYQGRJF-UHFFFAOYSA-N 0 3 310.828 4.195 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc2ccccc2n1C ZINC001560898066 1060758984 /nfs/dbraw/zinc/75/89/84/1060758984.db2.gz XYIKRMAKHLDKCH-HNNXBMFYSA-N 0 3 303.409 4.243 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cc2ccccc2n1C ZINC001560898067 1060759563 /nfs/dbraw/zinc/75/95/63/1060759563.db2.gz XYIKRMAKHLDKCH-OAHLLOKOSA-N 0 3 303.409 4.243 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCCCC3)C2)c(F)c1 ZINC001560946100 1060809823 /nfs/dbraw/zinc/80/98/23/1060809823.db2.gz CJWBMWSNXWEAIF-QGZVFWFLSA-N 0 3 300.421 4.490 20 30 DIEDHN N#Cc1c(F)cccc1CNCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001561035621 1060888584 /nfs/dbraw/zinc/88/85/84/1060888584.db2.gz CZHGNPAVXWVICI-SJLPKXTDSA-N 0 3 308.400 4.056 20 30 DIEDHN N#Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001250580460 1060914305 /nfs/dbraw/zinc/91/43/05/1060914305.db2.gz ZRSMYEAICFPAFY-UXHICEINSA-N 0 3 300.405 4.379 20 30 DIEDHN C[C@H]1Cc2ccccc2CN1Cc1ccccc1C(C)(C)C#N ZINC001473201146 1060962085 /nfs/dbraw/zinc/96/20/85/1060962085.db2.gz OVSIJIYZLUYGJS-INIZCTEOSA-N 0 3 304.437 4.435 20 30 DIEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001473316773 1061083893 /nfs/dbraw/zinc/08/38/93/1061083893.db2.gz XAMKXBWBACDGMP-UMNHJUIQSA-N 0 3 314.763 4.284 20 30 DIEDHN CN(Cc1cccc(F)c1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001462337030 1061113269 /nfs/dbraw/zinc/11/32/69/1061113269.db2.gz XMNDIMTXSAOXHB-YLJYHZDGSA-N 0 3 308.400 4.465 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001462366080 1061129511 /nfs/dbraw/zinc/12/95/11/1061129511.db2.gz VSAXZMNMUFINBP-HUUCEWRRSA-N 0 3 306.409 4.075 20 30 DIEDHN C=C(Br)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001473452105 1061167353 /nfs/dbraw/zinc/16/73/53/1061167353.db2.gz KIBHDEYULXGYOJ-BZUAXINKSA-N 0 3 306.247 4.163 20 30 DIEDHN C=CCC[C@@H](CCC)NCc1ncc(Br)s1 ZINC001462522722 1061232678 /nfs/dbraw/zinc/23/26/78/1061232678.db2.gz ZSAOKNLCVQNOBC-SNVBAGLBSA-N 0 3 303.269 4.130 20 30 DIEDHN Clc1cccc(C#CCN2CCSC3(CCC3)CC2)c1 ZINC001473548807 1061237011 /nfs/dbraw/zinc/23/70/11/1061237011.db2.gz WFJBTRFXMOQHFC-UHFFFAOYSA-N 0 3 305.874 4.053 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462526893 1061237332 /nfs/dbraw/zinc/23/73/32/1061237332.db2.gz XXGUOYODGYTGNB-ALKREAHSSA-N 0 3 322.456 4.466 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC001473671326 1061332379 /nfs/dbraw/zinc/33/23/79/1061332379.db2.gz XQIPHCTUWPZIEE-KRWDZBQOSA-N 0 3 312.363 4.216 20 30 DIEDHN N#Cc1cc(CN(Cc2cccc(F)c2)C2CCC2)ccc1F ZINC001473812672 1061420968 /nfs/dbraw/zinc/42/09/68/1061420968.db2.gz WHONXRWLPKOCEC-UHFFFAOYSA-N 0 3 312.363 4.391 20 30 DIEDHN C=CCC[C@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC001473857137 1061436920 /nfs/dbraw/zinc/43/69/20/1061436920.db2.gz FGOIXOZNOQSTGC-INIZCTEOSA-N 0 3 304.821 4.173 20 30 DIEDHN C#CCCCCNCc1oc2ccccc2c1Br ZINC001474067060 1061614095 /nfs/dbraw/zinc/61/40/95/1061614095.db2.gz BEDZBJYCNUBATF-UHFFFAOYSA-N 0 3 306.203 4.088 20 30 DIEDHN C#CC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC001474075581 1061622133 /nfs/dbraw/zinc/62/21/33/1061622133.db2.gz QWJITABKUWXWBU-LJQANCHMSA-N 0 3 302.421 4.341 20 30 DIEDHN CC(C)(NCc1nccc2ccccc21)c1cccc(C#N)c1 ZINC001474207559 1061763344 /nfs/dbraw/zinc/76/33/44/1061763344.db2.gz XMJZGMABKQNANE-UHFFFAOYSA-N 0 3 301.393 4.131 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CN1CC(N2CCCCC2)C1 ZINC001252984063 1061775229 /nfs/dbraw/zinc/77/52/29/1061775229.db2.gz CQSSFSPLOKHKAU-HXUWFJFHSA-N 0 3 324.553 4.048 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cccc(F)n1 ZINC001252985801 1061775532 /nfs/dbraw/zinc/77/55/32/1061775532.db2.gz HIIAZLTUGGYFOZ-QGZVFWFLSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1c(C)noc1C ZINC001252986625 1061777350 /nfs/dbraw/zinc/77/73/50/1061777350.db2.gz NMUVFJSHEHZWSN-KRWDZBQOSA-N 0 3 310.482 4.273 20 30 DIEDHN CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252987694 1061779117 /nfs/dbraw/zinc/77/91/17/1061779117.db2.gz VRQQZUMACAIAQT-SFHVURJKSA-N 0 3 323.477 4.079 20 30 DIEDHN Cc1cc(CNCc2cccc(OC(C)(C)C)c2)ccc1C#N ZINC001474256825 1061827821 /nfs/dbraw/zinc/82/78/21/1061827821.db2.gz WUEADYWCTLLDLU-UHFFFAOYSA-N 0 3 308.425 4.334 20 30 DIEDHN C=CCCCCCC[C@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001253240375 1061836594 /nfs/dbraw/zinc/83/65/94/1061836594.db2.gz KCHSQSVROYGQJT-SFHVURJKSA-N 0 3 305.462 4.102 20 30 DIEDHN C=CCCCCCC[C@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001253240375 1061836609 /nfs/dbraw/zinc/83/66/09/1061836609.db2.gz KCHSQSVROYGQJT-SFHVURJKSA-N 0 3 305.462 4.102 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H]1CCOc2c(F)cccc21 ZINC001253249334 1061850286 /nfs/dbraw/zinc/85/02/86/1061850286.db2.gz JMFNGSUBIDGVAR-YJBOKZPZSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@H](O)CNC1(c2ccccc2OC)CC1 ZINC001253254324 1061856550 /nfs/dbraw/zinc/85/65/50/1061856550.db2.gz BEZPCPWELSLWCW-KRWDZBQOSA-N 0 3 317.473 4.161 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H]1CCOc2cc(F)ccc21 ZINC001253255271 1061858142 /nfs/dbraw/zinc/85/81/42/1061858142.db2.gz HUQRSGZWQOISLG-AEFFLSMTSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H](C)c1cccc(F)c1OC ZINC001253257182 1061860238 /nfs/dbraw/zinc/86/02/38/1061860238.db2.gz OHRRKEZLFROQFP-CVEARBPZSA-N 0 3 323.452 4.372 20 30 DIEDHN COc1cccc(CN(CC#Cc2ccccc2)CC(C)C)c1 ZINC001474362007 1061987561 /nfs/dbraw/zinc/98/75/61/1061987561.db2.gz DGZVOWWVURYZEH-UHFFFAOYSA-N 0 3 307.437 4.205 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1Br)C(C)C ZINC001459307239 1062078677 /nfs/dbraw/zinc/07/86/77/1062078677.db2.gz RFLVLKADRDFSAG-UHFFFAOYSA-N 0 3 309.251 4.187 20 30 DIEDHN N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001254345395 1062081077 /nfs/dbraw/zinc/08/10/77/1062081077.db2.gz ACHGUPYBVBDRJW-UHFFFAOYSA-N 0 3 324.399 4.025 20 30 DIEDHN N#CC1(c2ccc(F)cc2)CCC(N2CCc3occc3C2)CC1 ZINC001254359245 1062086411 /nfs/dbraw/zinc/08/64/11/1062086411.db2.gz UHXHVGPUXRHPBF-UHFFFAOYSA-N 0 3 324.399 4.181 20 30 DIEDHN C#CCN(C[C@H]1CC2(CO1)CCCCC2)[C@H]1CCc2ccccc21 ZINC001459345332 1062099635 /nfs/dbraw/zinc/09/96/35/1062099635.db2.gz OGYCMZVZIFXYKX-CTNGQTDRSA-N 0 3 323.480 4.349 20 30 DIEDHN N#Cc1c(F)cccc1CN[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001474459053 1062138548 /nfs/dbraw/zinc/13/85/48/1062138548.db2.gz RZAXZROWNPUXTE-WMZOPIPTSA-N 0 3 308.400 4.198 20 30 DIEDHN CC[C@H]1c2ccccc2CCN1CCCOc1ccc(C#N)cc1 ZINC001459499678 1062170471 /nfs/dbraw/zinc/17/04/71/1062170471.db2.gz BVWMLAORVJPXHC-NRFANRHFSA-N 0 3 320.436 4.337 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668621 1062222721 /nfs/dbraw/zinc/22/27/21/1062222721.db2.gz GXCMQHBRTASVPF-BNOWGMLFSA-N 0 3 309.240 4.475 20 30 DIEDHN CC(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001459585996 1062225911 /nfs/dbraw/zinc/22/59/11/1062225911.db2.gz AHECQOBYDROZEA-AWEZNQCLSA-N 0 3 310.363 4.445 20 30 DIEDHN C#C[C@H](NC1CC2(C1)CCCC2)c1ccc(Br)cc1 ZINC001474545237 1062238999 /nfs/dbraw/zinc/23/89/99/1062238999.db2.gz CGZOPQAUWKWYQE-INIZCTEOSA-N 0 3 318.258 4.436 20 30 DIEDHN CC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459617310 1062250735 /nfs/dbraw/zinc/25/07/35/1062250735.db2.gz BLYNBPSQKRAHHI-CQSZACIVSA-N 0 3 311.347 4.059 20 30 DIEDHN C#C[C@@H](N[C@@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558331 1062260312 /nfs/dbraw/zinc/26/03/12/1062260312.db2.gz ZXAFXVGXALONLM-SCLBCKFNSA-N 0 3 301.792 4.374 20 30 DIEDHN C#C[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)(C)C ZINC001474562943 1062268955 /nfs/dbraw/zinc/26/89/55/1062268955.db2.gz DWFRUXCSJFOZFZ-MRXNPFEDSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614672 1062333475 /nfs/dbraw/zinc/33/34/75/1062333475.db2.gz YVQUSBRFWZLLGQ-IUODEOHRSA-N 0 3 304.409 4.346 20 30 DIEDHN CC[C@@H](CC#N)NCC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001255162589 1062349064 /nfs/dbraw/zinc/34/90/64/1062349064.db2.gz UDQIPMFYVWXOLD-INIZCTEOSA-N 0 3 321.415 4.102 20 30 DIEDHN CC[C@@H](CC#N)NCCc1ccc(CCc2ccccc2)cc1 ZINC001255165563 1062349976 /nfs/dbraw/zinc/34/99/76/1062349976.db2.gz YWJZGFVEZMARKO-NRFANRHFSA-N 0 3 306.453 4.296 20 30 DIEDHN CCC#C[C@@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760474 1062370505 /nfs/dbraw/zinc/37/05/05/1062370505.db2.gz MSZVOUVZNZBLHA-TZMCWYRMSA-N 0 3 312.240 4.248 20 30 DIEDHN C#CCCCCCCNCc1cc(-c2ccc(F)cc2F)on1 ZINC001474692856 1062422196 /nfs/dbraw/zinc/42/21/96/1062422196.db2.gz DQWHDIJFCICYDI-UHFFFAOYSA-N 0 3 318.367 4.293 20 30 DIEDHN CC1(C)CCC[C@H](CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001474727453 1062449754 /nfs/dbraw/zinc/44/97/54/1062449754.db2.gz DECMOWOPWDISRY-PKOBYXMFSA-N 0 3 312.457 4.148 20 30 DIEDHN CC1(C)CCC[C@@H](CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001474727451 1062450621 /nfs/dbraw/zinc/45/06/21/1062450621.db2.gz DECMOWOPWDISRY-IEBWSBKVSA-N 0 3 312.457 4.148 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001255706946 1062532209 /nfs/dbraw/zinc/53/22/09/1062532209.db2.gz YMJQHHIHYJGVBP-JKSUJKDBSA-N 0 3 308.347 4.037 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978282 1062540629 /nfs/dbraw/zinc/54/06/29/1062540629.db2.gz DAFCLJYKKGZLHS-YOEHRIQHSA-N 0 3 309.400 4.377 20 30 DIEDHN C=C(C)[C@H](NC[C@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978279 1062541093 /nfs/dbraw/zinc/54/10/93/1062541093.db2.gz DAFCLJYKKGZLHS-PBHICJAKSA-N 0 3 309.400 4.377 20 30 DIEDHN C=CC[C@H]1N(Cc2ccc(C(=O)OC)s2)CCCC1(C)C ZINC001460029904 1062587107 /nfs/dbraw/zinc/58/71/07/1062587107.db2.gz NMQZHTDDZXGXTP-OAHLLOKOSA-N 0 3 307.459 4.101 20 30 DIEDHN C=C[C@H]1CCCCN1CCOc1cc(Cl)cc(Cl)c1 ZINC001460041533 1062592400 /nfs/dbraw/zinc/59/24/00/1062592400.db2.gz JNOJOKJKZKKEIW-AWEZNQCLSA-N 0 3 300.229 4.413 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001471314816 1062961442 /nfs/dbraw/zinc/96/14/42/1062961442.db2.gz MHLPVCXNBFWGSN-IBGZPJMESA-N 0 3 316.489 4.046 20 30 DIEDHN COc1ccc2cc(CC[C@H](C)NCC3(C#N)CCC3)ccc2c1 ZINC001257271007 1063173791 /nfs/dbraw/zinc/17/37/91/1063173791.db2.gz STMYMAYFFZPRTN-INIZCTEOSA-N 0 3 322.452 4.453 20 30 DIEDHN C=C(CNCc1cn(-c2ccccc2F)nc1C)c1ccccc1 ZINC001461153362 1063295756 /nfs/dbraw/zinc/29/57/56/1063295756.db2.gz CFOODDWLJMJZCI-UHFFFAOYSA-N 0 3 321.399 4.123 20 30 DIEDHN C=C1C[C@@H]2CC(N[C@@H](c3ccccc3)c3cccnn3)C[C@H](C1)C2 ZINC001257890364 1063428231 /nfs/dbraw/zinc/42/82/31/1063428231.db2.gz VTFAQDNTNAUEEW-LLZRPDQQSA-N 0 3 319.452 4.291 20 30 DIEDHN CC[C@H]1c2ccccc2CCN1CCCOc1cccc(C#N)c1 ZINC001473169176 1063472982 /nfs/dbraw/zinc/47/29/82/1063472982.db2.gz ZAGNEQMHEMUQET-NRFANRHFSA-N 0 3 320.436 4.337 20 30 DIEDHN CC[C@@H]1c2ccccc2CCN1CCCOc1cccc(C#N)c1 ZINC001473169178 1063473048 /nfs/dbraw/zinc/47/30/48/1063473048.db2.gz ZAGNEQMHEMUQET-OAQYLSRUSA-N 0 3 320.436 4.337 20 30 DIEDHN CCCCCCC[C@H](C)NCc1ccn(CC(F)(F)F)n1 ZINC001258043096 1063475070 /nfs/dbraw/zinc/47/50/70/1063475070.db2.gz IVPHRXASBQYYEE-ZDUSSCGKSA-N 0 3 305.388 4.284 20 30 DIEDHN CCCCCCC[C@H](C)N[C@@H](CC(=O)OC)c1ccccn1 ZINC001258041329 1063475095 /nfs/dbraw/zinc/47/50/95/1063475095.db2.gz RNJALNXQSHJPDO-RDJZCZTQSA-N 0 3 306.450 4.024 20 30 DIEDHN CCCCCCCCC[C@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001258227990 1063567798 /nfs/dbraw/zinc/56/77/98/1063567798.db2.gz CAQZDWXIVQJFFL-JYJNAYRXSA-N 0 3 300.487 4.025 20 30 DIEDHN CCCCCCCCC[C@@H](C)NCc1cn(CCOC)cn1 ZINC001258231452 1063571738 /nfs/dbraw/zinc/57/17/38/1063571738.db2.gz OLYYUDAMPVQNTA-QGZVFWFLSA-N 0 3 309.498 4.148 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc3cccnc3c2)c1 ZINC001461681455 1063655140 /nfs/dbraw/zinc/65/51/40/1063655140.db2.gz DVHMZQHHEVSUQT-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN C#C[C@H]1CC[C@H](NCc2csc(-c3ccc(C)cc3)n2)CC1 ZINC001461729146 1063681163 /nfs/dbraw/zinc/68/11/63/1063681163.db2.gz NFIBUTUCDACATJ-JCNLHEQBSA-N 0 3 310.466 4.400 20 30 DIEDHN CCC[C@@H](Cc1ccccc1)NC(=N)c1ccc2ccccc2n1 ZINC001258651887 1063723297 /nfs/dbraw/zinc/72/32/97/1063723297.db2.gz IZVLCJABENUAPO-SFHVURJKSA-N 0 3 317.436 4.352 20 30 DIEDHN CCC[C@H](Cc1ccccc1)NC(=N)c1ccc2ccccc2n1 ZINC001258651886 1063723633 /nfs/dbraw/zinc/72/36/33/1063723633.db2.gz IZVLCJABENUAPO-GOSISDBHSA-N 0 3 317.436 4.352 20 30 DIEDHN C[C@H](Cc1ccc(Cl)cc1Cl)NCc1cc(C#N)co1 ZINC001258675737 1063744746 /nfs/dbraw/zinc/74/47/46/1063744746.db2.gz CROPWNGLUOPLGN-SNVBAGLBSA-N 0 3 309.196 4.179 20 30 DIEDHN CCCC[C@@H](Cc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001258705068 1063763268 /nfs/dbraw/zinc/76/32/68/1063763268.db2.gz CRMYJLWUIUJUOW-INIZCTEOSA-N 0 3 315.848 4.242 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2c1CCC2 ZINC001461884199 1063774426 /nfs/dbraw/zinc/77/44/26/1063774426.db2.gz ROWCKNRUNHWFQZ-VXKWHMMOSA-N 0 3 316.448 4.447 20 30 DIEDHN C=CCC[C@H](C)N(C)Cc1cccc(Br)c1F ZINC001258735570 1063784831 /nfs/dbraw/zinc/78/48/31/1063784831.db2.gz WRDKVHCLCHFNQL-NSHDSACASA-N 0 3 300.215 4.375 20 30 DIEDHN CCCOc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1 ZINC001462020944 1063883607 /nfs/dbraw/zinc/88/36/07/1063883607.db2.gz ROFCONPQCBFDFX-UHFFFAOYSA-N 0 3 308.425 4.288 20 30 DIEDHN N#CC(C(=O)CCc1ccc2ccccc2c1)c1cccc(F)n1 ZINC001263377723 1063983051 /nfs/dbraw/zinc/98/30/51/1063983051.db2.gz KCOKHOKWQYVPTB-QGZVFWFLSA-N 0 3 318.351 4.183 20 30 DIEDHN C=CCCCCCCCN1CC2(C[C@H]2C(=O)N(CC)C(C)C)C1 ZINC001279834023 1064369668 /nfs/dbraw/zinc/36/96/68/1064369668.db2.gz CMCCFSQIQPRCPR-SFHVURJKSA-N 0 3 320.521 4.092 20 30 DIEDHN C=C(C)CCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001288761195 1064565864 /nfs/dbraw/zinc/56/58/64/1064565864.db2.gz GENIOWBOEZWJFQ-UHFFFAOYSA-N 0 3 314.351 4.062 20 30 DIEDHN CCN(CC#Cc1ccc(F)cc1)[C@@H](C)c1cccc(OC)c1 ZINC001307426866 1065385871 /nfs/dbraw/zinc/38/58/71/1065385871.db2.gz QVYCLPKKBRNTQJ-INIZCTEOSA-N 0 3 311.400 4.269 20 30 DIEDHN C=CCN(CCc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC001307441130 1065402154 /nfs/dbraw/zinc/40/21/54/1065402154.db2.gz TWLFBJJOXRFGME-UHFFFAOYSA-N 0 3 312.363 4.067 20 30 DIEDHN C#CCN(Cc1ccc(F)cc1)CC1([C@H]2CCCCO2)CCC1 ZINC001307444831 1065404454 /nfs/dbraw/zinc/40/44/54/1065404454.db2.gz KMCLCQZLZDHKLK-LJQANCHMSA-N 0 3 315.432 4.000 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001307444826 1065405491 /nfs/dbraw/zinc/40/54/91/1065405491.db2.gz KICFIUUEKAVXLG-UHFFFAOYSA-N 0 3 310.828 4.442 20 30 DIEDHN Cc1ccc([C@H]2C[C@@H](C)CCN2CCOc2cccc(C#N)c2)o1 ZINC001307497189 1065441952 /nfs/dbraw/zinc/44/19/52/1065441952.db2.gz RANXCDQNLZIVNZ-HNAYVOBHSA-N 0 3 324.424 4.312 20 30 DIEDHN CO[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)cc1 ZINC001307606932 1065511914 /nfs/dbraw/zinc/51/19/14/1065511914.db2.gz URZVMDNUTDSDAE-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@H](OC)c1ccc(Cl)cc1 ZINC001307620574 1065522054 /nfs/dbraw/zinc/52/20/54/1065522054.db2.gz IORPICSULNGKHP-SFHVURJKSA-N 0 3 319.832 4.351 20 30 DIEDHN N#CCC1(CN2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC001307655136 1065545567 /nfs/dbraw/zinc/54/55/67/1065545567.db2.gz XDOFMXUKVBWVRG-OAHLLOKOSA-N 0 3 318.848 4.125 20 30 DIEDHN C#CC(C)(C)N(C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001307680778 1065558562 /nfs/dbraw/zinc/55/85/62/1065558562.db2.gz WSNINOIFHXLGHW-UHFFFAOYSA-N 0 3 311.400 4.248 20 30 DIEDHN C=C(C)[C@@H](NCCSC(F)(F)F)c1ccc(F)c(F)c1 ZINC001307700176 1065571257 /nfs/dbraw/zinc/57/12/57/1065571257.db2.gz ZSSIRZGVLKUFIZ-GFCCVEGCSA-N 0 3 311.319 4.425 20 30 DIEDHN CC[C@@H]1CC[C@H](C)N(Cc2cc(Cl)ccc2OCC#N)C1 ZINC001307768587 1065613605 /nfs/dbraw/zinc/61/36/05/1065613605.db2.gz RQFWKJJFYQCLSL-UONOGXRCSA-N 0 3 306.837 4.253 20 30 DIEDHN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001307832152 1065643730 /nfs/dbraw/zinc/64/37/30/1065643730.db2.gz ITNGLMJAPNTKHF-WOJBJXKFSA-N 0 3 308.400 4.465 20 30 DIEDHN C[C@@H](CSc1ccccc1)N(C)Cc1ccc(F)c(C#N)c1 ZINC001307907599 1065679100 /nfs/dbraw/zinc/67/91/00/1065679100.db2.gz MUEYSURWCHNDSX-AWEZNQCLSA-N 0 3 314.429 4.310 20 30 DIEDHN C=CC[C@H]1CC[C@H](NCc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209968 1065818438 /nfs/dbraw/zinc/81/84/38/1065818438.db2.gz OYRITKMCUJJRTB-IRXDYDNUSA-N 0 3 321.468 4.195 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[C@@H](SC)C1 ZINC001308269641 1065870971 /nfs/dbraw/zinc/87/09/71/1065870971.db2.gz VGJHOZDRMJIUHW-ZIAGYGMSSA-N 0 3 323.889 4.116 20 30 DIEDHN C=CC[C@H](NCc1ccc(OC(F)F)cc1)c1ccncc1 ZINC001308272701 1065873041 /nfs/dbraw/zinc/87/30/41/1065873041.db2.gz HEUAMKAYYRXDDL-INIZCTEOSA-N 0 3 304.340 4.090 20 30 DIEDHN C=CCCC[C@H](C)NCc1ncc(Br)cc1Cl ZINC001308345365 1065930062 /nfs/dbraw/zinc/93/00/62/1065930062.db2.gz DNPHFVHWYWNZTD-JTQLQIEISA-N 0 3 317.658 4.332 20 30 DIEDHN C=CCC(C)(C)CNCc1c(F)cc(Br)cc1F ZINC001308415488 1065973179 /nfs/dbraw/zinc/97/31/79/1065973179.db2.gz GYEPCNUHUZREMD-UHFFFAOYSA-N 0 3 318.205 4.419 20 30 DIEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001308500484 1066030183 /nfs/dbraw/zinc/03/01/83/1066030183.db2.gz CLWOFPCIDUHLLM-OAHLLOKOSA-N 0 3 305.805 4.017 20 30 DIEDHN C[C@@]1(CCc2ccccc2)CCN(CC#Cc2ccccc2)C1 ZINC001308597475 1066108923 /nfs/dbraw/zinc/10/89/23/1066108923.db2.gz GELDYVYJSOKENN-JOCHJYFZSA-N 0 3 303.449 4.383 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1csc(C#N)c1 ZINC001308643388 1066134356 /nfs/dbraw/zinc/13/43/56/1066134356.db2.gz QNCGFUANTZZJNP-MEDUHNTESA-N 0 3 320.845 4.139 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001308647806 1066135434 /nfs/dbraw/zinc/13/54/34/1066135434.db2.gz WCGLNEGHSAOMNO-ZIAGYGMSSA-N 0 3 323.864 4.391 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC001308647804 1066135708 /nfs/dbraw/zinc/13/57/08/1066135708.db2.gz WCGLNEGHSAOMNO-KBPBESRZSA-N 0 3 323.864 4.391 20 30 DIEDHN CN(Cc1cccc(C#N)c1)Cc1ccccc1CC(F)(F)F ZINC001308649327 1066136032 /nfs/dbraw/zinc/13/60/32/1066136032.db2.gz IQLYICLMBINYCG-UHFFFAOYSA-N 0 3 318.342 4.295 20 30 DIEDHN CC(C)CN(CCC#N)C[C@H](C)c1cccc(Br)c1 ZINC001308649229 1066136105 /nfs/dbraw/zinc/13/61/05/1066136105.db2.gz FVBATSJJYRJGGQ-AWEZNQCLSA-N 0 3 323.278 4.424 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)[C@H]1CCC[C@H](C)C1 ZINC001308650933 1066138183 /nfs/dbraw/zinc/13/81/83/1066138183.db2.gz UYNOVFZVRSJTSD-GJZGRUSLSA-N 0 3 305.849 4.363 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC001308650932 1066138205 /nfs/dbraw/zinc/13/82/05/1066138205.db2.gz UYNOVFZVRSJTSD-CABCVRRESA-N 0 3 305.849 4.363 20 30 DIEDHN CN(Cc1cc(C#N)ccc1Br)C1CCCCCC1 ZINC001308654396 1066139450 /nfs/dbraw/zinc/13/94/50/1066139450.db2.gz AEMSLHMHZWQSKI-UHFFFAOYSA-N 0 3 321.262 4.475 20 30 DIEDHN C=C(C)[C@@H](N[C@@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697706 1066186111 /nfs/dbraw/zinc/18/61/11/1066186111.db2.gz WZLLYLDLLNSNOL-XHDPSFHLSA-N 0 3 303.393 4.263 20 30 DIEDHN C=C(C)[C@H](N[C@@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697705 1066186226 /nfs/dbraw/zinc/18/62/26/1066186226.db2.gz WZLLYLDLLNSNOL-NHYWBVRUSA-N 0 3 303.393 4.263 20 30 DIEDHN N#CC1(CN[C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723820 1066200342 /nfs/dbraw/zinc/20/03/42/1066200342.db2.gz HYWNAAYIBQRFBO-SWLSCSKDSA-N 0 3 308.347 4.023 20 30 DIEDHN C#C[C@@H](N[C@@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786213 1066261130 /nfs/dbraw/zinc/26/11/30/1066261130.db2.gz KSVYQSUWJSVVCU-ORAYPTAESA-N 0 3 317.354 4.389 20 30 DIEDHN C#C[C@@H](N[C@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786114 1066262617 /nfs/dbraw/zinc/26/26/17/1066262617.db2.gz JAWHSOGBJMEREH-RDTXWAMCSA-N 0 3 313.441 4.443 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1nccc2ccccc21 ZINC001308836699 1066311856 /nfs/dbraw/zinc/31/18/56/1066311856.db2.gz VKAMASSQRBMALJ-OAHLLOKOSA-N 0 3 301.393 4.152 20 30 DIEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CCCCC2)cc1 ZINC001308867104 1066349379 /nfs/dbraw/zinc/34/93/79/1066349379.db2.gz JHWJUQBGQCOHGO-HOTGVXAUSA-N 0 3 300.446 4.251 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCCC2(CC2)CC1 ZINC001308887035 1066369607 /nfs/dbraw/zinc/36/96/07/1066369607.db2.gz DIXBUSNRYUTCRJ-UHFFFAOYSA-N 0 3 303.833 4.118 20 30 DIEDHN CCC[C@@H]1[C@H](C)CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776342 191227729 /nfs/dbraw/zinc/22/77/29/191227729.db2.gz IMVMIFBSYJFPHF-RHSMWYFYSA-N 0 3 324.428 4.009 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1ccc(C)cc1CN(C)C)c1ccccc1 ZINC000134747443 335008152 /nfs/dbraw/zinc/00/81/52/335008152.db2.gz NZHGRDZRBHJANX-KRWDZBQOSA-N 0 3 322.452 4.355 20 30 DIEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000135667446 335043535 /nfs/dbraw/zinc/04/35/35/335043535.db2.gz OHRRHHPGPUEWCN-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121837847 195359149 /nfs/dbraw/zinc/35/91/49/195359149.db2.gz PXHHWSXBRBRTIB-KSSFIOAISA-N 0 3 324.424 4.377 20 30 DIEDHN COc1ccc2c(c1F)CC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000289367392 131378567 /nfs/dbraw/zinc/37/85/67/131378567.db2.gz ZWXOPDLHQHUKFM-SJKOYZFVSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1ccc(CN[C@H](C)c2ccc(SC)cc2)cc1C#N ZINC000282367255 332836175 /nfs/dbraw/zinc/83/61/75/332836175.db2.gz WQIRDQIPORLCCY-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN C=CC[C@H](CO)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709109 331469562 /nfs/dbraw/zinc/46/95/62/331469562.db2.gz SMRQUKODKSGVDF-CZUORRHYSA-N 0 3 316.470 4.015 20 30 DIEDHN CCCNc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000521320273 331522376 /nfs/dbraw/zinc/52/23/76/331522376.db2.gz MXCVAIGZFRQWQM-FQEVSTJZSA-N 0 3 305.425 4.157 20 30 DIEDHN N#Cc1cccc(C2(NC[C@@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000556511377 331711547 /nfs/dbraw/zinc/71/15/47/331711547.db2.gz HJMGNWJWQGXGPY-SFHVURJKSA-N 0 3 310.441 4.019 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(C)c2)c(C)c1OC ZINC000558154100 331880215 /nfs/dbraw/zinc/88/02/15/331880215.db2.gz RVLDJMBMLDALLF-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN N#C[C@H]1CC[C@@H](N2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153806 331983018 /nfs/dbraw/zinc/98/30/18/331983018.db2.gz LEFIOUKTVXHADF-JKSUJKDBSA-N 0 3 302.368 4.136 20 30 DIEDHN N#Cc1cccc(CN[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000127939514 332009265 /nfs/dbraw/zinc/00/92/65/332009265.db2.gz URUKHPNZKCSHJQ-AWEZNQCLSA-N 0 3 302.830 4.440 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127937822 332009311 /nfs/dbraw/zinc/00/93/11/332009311.db2.gz YLWPEOGXZOSEFG-CQSZACIVSA-N 0 3 302.830 4.440 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000520042377 332030889 /nfs/dbraw/zinc/03/08/89/332030889.db2.gz CPQNRPWQJYKBQI-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN CC(C)(C#N)CCCCN1CCSC[C@@H]1c1ccccc1 ZINC000409446906 332032568 /nfs/dbraw/zinc/03/25/68/332032568.db2.gz WMZQHSUJKUIUKX-QGZVFWFLSA-N 0 3 302.487 4.497 20 30 DIEDHN C=CCOc1ccccc1CNCCc1nc2ccccc2s1 ZINC000409447432 332032823 /nfs/dbraw/zinc/03/28/23/332032823.db2.gz GTHXZLZEDHHPPC-UHFFFAOYSA-N 0 3 324.449 4.193 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1Cc2ccccc2C1 ZINC000569399256 332074658 /nfs/dbraw/zinc/07/46/58/332074658.db2.gz LIECUYUPAVOIJF-FGZHOGPDSA-N 0 3 316.448 4.173 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1Cc2ccccc2C1 ZINC000569399258 332074687 /nfs/dbraw/zinc/07/46/87/332074687.db2.gz LIECUYUPAVOIJF-YADHBBJMSA-N 0 3 316.448 4.173 20 30 DIEDHN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665346 332092042 /nfs/dbraw/zinc/09/20/42/332092042.db2.gz RFLBZNZDXADWDL-UZLBHIALSA-N 0 3 307.441 4.448 20 30 DIEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665347 332092271 /nfs/dbraw/zinc/09/22/71/332092271.db2.gz RFLBZNZDXADWDL-OXJNMPFZSA-N 0 3 307.441 4.448 20 30 DIEDHN CC(C)(CCC#N)CNCc1ccc(F)cc1Br ZINC000236818655 332203628 /nfs/dbraw/zinc/20/36/28/332203628.db2.gz CAOSJVVUQUXPJP-UHFFFAOYSA-N 0 3 313.214 4.008 20 30 DIEDHN COc1ccc([C@H](NCCCCC#N)c2ccc(F)cc2)cc1 ZINC000109790734 332284071 /nfs/dbraw/zinc/28/40/71/332284071.db2.gz FXOVLWTWBIZCCS-LJQANCHMSA-N 0 3 312.388 4.207 20 30 DIEDHN CC(C)(C)[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000560243009 332322180 /nfs/dbraw/zinc/32/21/80/332322180.db2.gz XMAUTHLDALHMGB-LJQANCHMSA-N 0 3 318.424 4.083 20 30 DIEDHN C=CCC[C@@H](NC[C@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521421 332350013 /nfs/dbraw/zinc/35/00/13/332350013.db2.gz OTSIXSOPNYPRPP-HUUCEWRRSA-N 0 3 304.459 4.241 20 30 DIEDHN C=CCC[C@@H](NCCc1nn(C)c2ccccc12)c1ccco1 ZINC000560548849 332357845 /nfs/dbraw/zinc/35/78/45/332357845.db2.gz CWGNSOOQNQPXSH-QGZVFWFLSA-N 0 3 309.413 4.006 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)cc1 ZINC000560571954 332362532 /nfs/dbraw/zinc/36/25/32/332362532.db2.gz PARAPJXSCHJYTK-JLTOFOAXSA-N 0 3 311.400 4.414 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000561455663 332452209 /nfs/dbraw/zinc/45/22/09/332452209.db2.gz KGXZJNYWDYABJZ-CZAAIQMYSA-N 0 3 320.436 4.438 20 30 DIEDHN C=C(C)[C@H](NCCc1scnc1C)c1ccc(F)c(F)c1 ZINC000187788351 332628877 /nfs/dbraw/zinc/62/88/77/332628877.db2.gz ZVXQAWQQTLTACM-INIZCTEOSA-N 0 3 308.397 4.179 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000569860993 332687377 /nfs/dbraw/zinc/68/73/77/332687377.db2.gz OVARLJVRKMIDMX-GFCCVEGCSA-N 0 3 318.289 4.245 20 30 DIEDHN CCCCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000171769685 333054293 /nfs/dbraw/zinc/05/42/93/333054293.db2.gz BHSBNFWKLPKGLQ-UHFFFAOYSA-N 0 3 324.424 4.058 20 30 DIEDHN COc1ccc([C@@H]2CCCN2CCCC(C)(C)C#N)c(OC)c1 ZINC000174812045 333090969 /nfs/dbraw/zinc/09/09/69/333090969.db2.gz YQALULZWSJRWJR-KRWDZBQOSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000582129977 333124350 /nfs/dbraw/zinc/12/43/50/333124350.db2.gz LORJKACKWTWAFC-UONOGXRCSA-N 0 3 313.832 4.231 20 30 DIEDHN N#CCOc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180548935 333162977 /nfs/dbraw/zinc/16/29/77/333162977.db2.gz KZDNNLYWPYIPSI-SFHVURJKSA-N 0 3 312.800 4.019 20 30 DIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(OCC#N)cc1 ZINC000180550151 333162998 /nfs/dbraw/zinc/16/29/98/333162998.db2.gz OPPWJWIAIFUXAK-XOBRGWDASA-N 0 3 324.399 4.141 20 30 DIEDHN Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccc(OCC#N)cc1 ZINC000180556995 333163129 /nfs/dbraw/zinc/16/31/29/333163129.db2.gz RRFXPNHUARZFEM-DNVCBOLYSA-N 0 3 306.409 4.236 20 30 DIEDHN CC1(C)C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180551206 333163146 /nfs/dbraw/zinc/16/31/46/333163146.db2.gz XVVANPYINHEHQU-LJQANCHMSA-N 0 3 306.409 4.101 20 30 DIEDHN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1Cl ZINC000180887821 333165817 /nfs/dbraw/zinc/16/58/17/333165817.db2.gz XDEBLBVDHJDWGI-CQSZACIVSA-N 0 3 314.816 4.402 20 30 DIEDHN Cc1oc2ccccc2c1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000182199618 333176801 /nfs/dbraw/zinc/17/68/01/333176801.db2.gz WMVBHMMVEMRCOV-CQSZACIVSA-N 0 3 320.392 4.494 20 30 DIEDHN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCCC#N ZINC000184087813 333191722 /nfs/dbraw/zinc/19/17/22/333191722.db2.gz JTOPOVGMFFNMLV-LLVKDONJSA-N 0 3 303.406 4.212 20 30 DIEDHN C=C(C)CN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000497185313 333218394 /nfs/dbraw/zinc/21/83/94/333218394.db2.gz ZDAJJJJDQAYXJU-UHFFFAOYSA-N 0 3 306.409 4.145 20 30 DIEDHN C=CCOc1ccccc1CNCCc1ccc2ccccc2n1 ZINC000518785254 333230137 /nfs/dbraw/zinc/23/01/37/333230137.db2.gz VKNLNLATIFOHKF-UHFFFAOYSA-N 0 3 318.420 4.132 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2ccncc2)CC1 ZINC000191651600 333281426 /nfs/dbraw/zinc/28/14/26/333281426.db2.gz JNZKORISGJJUFA-UHFFFAOYSA-N 0 3 319.452 4.262 20 30 DIEDHN CCC(CC)(CC)SCC(=O)C(C#N)c1nc(C)cs1 ZINC000191934019 333283785 /nfs/dbraw/zinc/28/37/85/333283785.db2.gz ZQXVVAYCTHVVAY-GFCCVEGCSA-N 0 3 310.488 4.330 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193001536 333297202 /nfs/dbraw/zinc/29/72/02/333297202.db2.gz OVESALLMLMUCTI-GFOFROLCSA-N 0 3 306.837 4.088 20 30 DIEDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193001562 333297254 /nfs/dbraw/zinc/29/72/54/333297254.db2.gz OVESALLMLMUCTI-WRFANHODSA-N 0 3 306.837 4.088 20 30 DIEDHN C=C(C)CN1CCC(NC(=O)[C@H](CCC)CC2CCCC2)CC1 ZINC000499828565 333314296 /nfs/dbraw/zinc/31/42/96/333314296.db2.gz AEXLDQFCKMRVDH-GOSISDBHSA-N 0 3 320.521 4.140 20 30 DIEDHN CSc1ccccc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000194921453 333317797 /nfs/dbraw/zinc/31/77/97/333317797.db2.gz QQEFQEAMDYOSHG-CQSZACIVSA-N 0 3 312.438 4.162 20 30 DIEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264763 333486280 /nfs/dbraw/zinc/48/62/80/333486280.db2.gz KNANYTQXIXXDPA-BDAKNGLRSA-N 0 3 308.636 4.234 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613673 333497345 /nfs/dbraw/zinc/49/73/45/333497345.db2.gz PWDDWWSLNXQIEO-KUHUBIRLSA-N 0 3 306.409 4.295 20 30 DIEDHN CCC[C@@H](NCCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000339072117 333508041 /nfs/dbraw/zinc/50/80/41/333508041.db2.gz TUPBQEIUTIJXIG-OAHLLOKOSA-N 0 3 314.351 4.066 20 30 DIEDHN C[C@@H](NCc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000048162289 333574687 /nfs/dbraw/zinc/57/46/87/333574687.db2.gz PBSOCKACYMECHW-GFCCVEGCSA-N 0 3 315.214 4.172 20 30 DIEDHN CC[C@H](CC#N)NCCCCOc1cccc(C(F)(F)F)c1 ZINC000563366614 333597151 /nfs/dbraw/zinc/59/71/51/333597151.db2.gz RXBYPOUMBNXEOF-CQSZACIVSA-N 0 3 314.351 4.146 20 30 DIEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012179 333719348 /nfs/dbraw/zinc/71/93/48/333719348.db2.gz WVROLIYXVLMKKP-SFHVURJKSA-N 0 3 314.473 4.200 20 30 DIEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000186068898 335158842 /nfs/dbraw/zinc/15/88/42/335158842.db2.gz UKICJJJMTNHOSW-MRXNPFEDSA-N 0 3 300.446 4.132 20 30 DIEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1-c1cc(C)ccc1C ZINC000414170252 333907184 /nfs/dbraw/zinc/90/71/84/333907184.db2.gz SLYFRUXRKLQWAB-INIZCTEOSA-N 0 3 324.472 4.388 20 30 DIEDHN COc1ccc([C@@H](NCC(C)(C)CC#N)c2ccccc2)cc1 ZINC000414164311 333915852 /nfs/dbraw/zinc/91/58/52/333915852.db2.gz KEBLLRWNPCUUQH-IBGZPJMESA-N 0 3 308.425 4.314 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1cc(Br)cs1 ZINC000414165110 333916067 /nfs/dbraw/zinc/91/60/67/333916067.db2.gz LIXILROJDZJOTI-SECBINFHSA-N 0 3 301.253 4.101 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(Br)s1 ZINC000414166647 333916322 /nfs/dbraw/zinc/91/63/22/333916322.db2.gz OCAXLCZYRCVMGQ-SECBINFHSA-N 0 3 301.253 4.101 20 30 DIEDHN Cc1ccc(Br)c(CNC2CCC(C)(C#N)CC2)c1 ZINC000414251118 333920950 /nfs/dbraw/zinc/92/09/50/333920950.db2.gz GWBQASLRKRBKQX-UHFFFAOYSA-N 0 3 321.262 4.320 20 30 DIEDHN N#CCc1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000343419527 335163321 /nfs/dbraw/zinc/16/33/21/335163321.db2.gz LVIBHBCRKVJNIW-KRWDZBQOSA-N 0 3 324.449 4.052 20 30 DIEDHN CCc1ccc(C(C)(C)NCc2ccc(OCC#N)cc2)cc1 ZINC000271691881 334025734 /nfs/dbraw/zinc/02/57/34/334025734.db2.gz FERBZZIOOOMVBJ-UHFFFAOYSA-N 0 3 308.425 4.176 20 30 DIEDHN C[C@@H](NCCCC#N)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000273167595 334043899 /nfs/dbraw/zinc/04/38/99/334043899.db2.gz BDMVBCHXSWKAAY-GFCCVEGCSA-N 0 3 315.398 4.278 20 30 DIEDHN CC[C@@H](NCCc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000343521406 335174291 /nfs/dbraw/zinc/17/42/91/335174291.db2.gz UUOABEGNDLUJMQ-GOSISDBHSA-N 0 3 300.352 4.120 20 30 DIEDHN C[C@@H](NCCCC#N)c1ccc(SCC(F)(F)F)cc1 ZINC000273202752 334044191 /nfs/dbraw/zinc/04/41/91/334044191.db2.gz IYHJSSLBINURBL-LLVKDONJSA-N 0 3 302.365 4.295 20 30 DIEDHN COc1ccc2oc([C@H](C)NCCC(C)(C)C#N)c(C)c2c1 ZINC000273257809 334044697 /nfs/dbraw/zinc/04/46/97/334044697.db2.gz FIFISIVOGGRIJJ-ZDUSSCGKSA-N 0 3 300.402 4.340 20 30 DIEDHN CCc1nc(C)c([C@H](C)N(C)Cc2ccc(CC#N)cc2)s1 ZINC000343525896 335174627 /nfs/dbraw/zinc/17/46/27/335174627.db2.gz KOUZBWOAGQPWHP-AWEZNQCLSA-N 0 3 313.470 4.273 20 30 DIEDHN CN(CCCC(C)(C)C#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276433512 334078167 /nfs/dbraw/zinc/07/81/67/334078167.db2.gz KESPCPGEBUQQCV-FQEVSTJZSA-N 0 3 312.457 4.287 20 30 DIEDHN CC(C)(C#N)CCCCN1CCC(Oc2ccccc2)CC1 ZINC000277873625 334091534 /nfs/dbraw/zinc/09/15/34/334091534.db2.gz YSUKNJUVOFGWPK-UHFFFAOYSA-N 0 3 300.446 4.250 20 30 DIEDHN CC(C)COC[C@@H](NCCCCC(C)(C)C#N)c1ccco1 ZINC000278665867 334099461 /nfs/dbraw/zinc/09/94/61/334099461.db2.gz HZZSIMQKQCAOCT-MRXNPFEDSA-N 0 3 306.450 4.303 20 30 DIEDHN COc1cc(F)c([C@@H](C)NCCCCC(C)(C)C#N)cc1OC ZINC000278766473 334100925 /nfs/dbraw/zinc/10/09/25/334100925.db2.gz MYNYQCLFKDSXEG-CYBMUJFWSA-N 0 3 322.424 4.214 20 30 DIEDHN COc1cc(F)c([C@H](C)NCCCCC(C)(C)C#N)cc1OC ZINC000278766484 334100993 /nfs/dbraw/zinc/10/09/93/334100993.db2.gz MYNYQCLFKDSXEG-ZDUSSCGKSA-N 0 3 322.424 4.214 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946157 334121438 /nfs/dbraw/zinc/12/14/38/334121438.db2.gz JGPLMFGIJFRBHY-VBKZILBWSA-N 0 3 324.399 4.456 20 30 DIEDHN N#CC1CCC(CNCc2csc(-c3ccsc3)n2)CC1 ZINC000281602595 334127207 /nfs/dbraw/zinc/12/72/07/334127207.db2.gz GASQHSARHJYRCW-UHFFFAOYSA-N 0 3 317.483 4.291 20 30 DIEDHN C[C@@H](c1ccccc1Cl)N(C)CCCC1(C#N)CCOCC1 ZINC000282084493 334131154 /nfs/dbraw/zinc/13/11/54/334131154.db2.gz UWCVPKGTLQEPBW-HNNXBMFYSA-N 0 3 320.864 4.433 20 30 DIEDHN N#CC1CCC(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000282198692 334132299 /nfs/dbraw/zinc/13/22/99/334132299.db2.gz GSBPTFYPIBBPCF-PMTKGXAQSA-N 0 3 323.415 4.230 20 30 DIEDHN CCOc1ccc([C@@H](COC)NCCCCC(C)(C)C#N)cc1 ZINC000283969223 334141894 /nfs/dbraw/zinc/14/18/94/334141894.db2.gz CHCLNULZALVAIV-GOSISDBHSA-N 0 3 318.461 4.082 20 30 DIEDHN Cc1cc2cc(CN[C@H](C)c3ccc(OCC#N)cc3)ccc2[nH]1 ZINC000285584479 334148754 /nfs/dbraw/zinc/14/87/54/334148754.db2.gz HKQWOKPTRXPTJM-OAHLLOKOSA-N 0 3 319.408 4.230 20 30 DIEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217707 334156729 /nfs/dbraw/zinc/15/67/29/334156729.db2.gz FWQRGRMSWMDNJK-ZOBUZTSGSA-N 0 3 307.397 4.217 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289439473 334165365 /nfs/dbraw/zinc/16/53/65/334165365.db2.gz DOHWRAXXMIKUND-OALUTQOASA-N 0 3 324.468 4.021 20 30 DIEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290318767 334172374 /nfs/dbraw/zinc/17/23/74/334172374.db2.gz CTTKOYMMBBCWRR-FQEVSTJZSA-N 0 3 322.456 4.015 20 30 DIEDHN CC[C@@H](CC#N)NC1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000293767033 334202135 /nfs/dbraw/zinc/20/21/35/334202135.db2.gz ZNVPUNGYOFKVHO-HDYDNRTBSA-N 0 3 314.473 4.222 20 30 DIEDHN N#CCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293941505 334203614 /nfs/dbraw/zinc/20/36/14/334203614.db2.gz YRYUHJWVHIADCF-LJQANCHMSA-N 0 3 308.425 4.350 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000294994542 334215245 /nfs/dbraw/zinc/21/52/45/334215245.db2.gz HXIZVOKYODLSAH-GWCFXTLKSA-N 0 3 300.299 4.016 20 30 DIEDHN C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(OCC#N)cc1 ZINC000296357486 334232843 /nfs/dbraw/zinc/23/28/43/334232843.db2.gz IPYIFTMFDUAYEC-SPYBWZPUSA-N 0 3 322.408 4.152 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000187703779 334268984 /nfs/dbraw/zinc/26/89/84/334268984.db2.gz CLPDEADENOLPBR-UZLBHIALSA-N 0 3 305.425 4.196 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N(C)c2ccccc2)CC1 ZINC000187713332 334269247 /nfs/dbraw/zinc/26/92/47/334269247.db2.gz UFMRVIPOIOXOMS-QGZVFWFLSA-N 0 3 319.452 4.220 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCC2CCCC2)CC1 ZINC000187708691 334269349 /nfs/dbraw/zinc/26/93/49/334269349.db2.gz MBNZJJANNJNOTF-MRXNPFEDSA-N 0 3 312.457 4.290 20 30 DIEDHN CC(C)n1ccc(C[C@@H](C)N[C@H](CCC#N)c2ccccc2)n1 ZINC000341366135 334435757 /nfs/dbraw/zinc/43/57/57/334435757.db2.gz XMSWYOXJQWOVRZ-VQIMIIECSA-N 0 3 310.445 4.030 20 30 DIEDHN COc1cc(C)ccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341712471 334472846 /nfs/dbraw/zinc/47/28/46/334472846.db2.gz PSCYBTYTQOXGJP-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000342728460 334569606 /nfs/dbraw/zinc/56/96/06/334569606.db2.gz MSBCCSLGJYNENK-QGZVFWFLSA-N 0 3 324.815 4.100 20 30 DIEDHN N#Cc1cccc(C2(N[C@@H]3CCCc4cc(F)ccc43)CC2)c1 ZINC000342771971 334575181 /nfs/dbraw/zinc/57/51/81/334575181.db2.gz AFDJFSFWBKUCOY-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@H](c1ccccc1)C(C)(C)C ZINC000157777959 338456309 /nfs/dbraw/zinc/45/63/09/338456309.db2.gz HJERBZVBKLVKJB-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN N#Cc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417306631 334704458 /nfs/dbraw/zinc/70/44/58/334704458.db2.gz CWCAGVQWQYYURF-IBGZPJMESA-N 0 3 321.380 4.024 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363462 334744446 /nfs/dbraw/zinc/74/44/46/334744446.db2.gz KQNFPMJBWJSAEG-SPLOXXLWSA-N 0 3 318.420 4.317 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000417376852 334765518 /nfs/dbraw/zinc/76/55/18/334765518.db2.gz CLBLKIZPISMVPT-SFTDATJTSA-N 0 3 318.420 4.221 20 30 DIEDHN N#CCc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000343697303 335188817 /nfs/dbraw/zinc/18/88/17/335188817.db2.gz RWQGVOJFBWTAJJ-FPOVZHCZSA-N 0 3 320.436 4.010 20 30 DIEDHN CCOc1ccccc1[C@@H](CC)NCc1ccc(CC#N)cc1 ZINC000343764140 335191303 /nfs/dbraw/zinc/19/13/03/335191303.db2.gz WQIVENFZAHLESJ-LJQANCHMSA-N 0 3 308.425 4.392 20 30 DIEDHN C[C@H](NCC(C)(C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000348246145 335567314 /nfs/dbraw/zinc/56/73/14/335567314.db2.gz RZABFGHKTLXQOU-VIFPVBQESA-N 0 3 305.369 4.142 20 30 DIEDHN CC1(c2cccc(Br)c2)CCN(CCCC#N)CC1 ZINC000351808698 336069736 /nfs/dbraw/zinc/06/97/36/336069736.db2.gz KGNGJVVTPBAXPE-UHFFFAOYSA-N 0 3 321.262 4.106 20 30 DIEDHN Cc1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)c(O)c1 ZINC000330254473 336130097 /nfs/dbraw/zinc/13/00/97/336130097.db2.gz AWQUOAHFXQSAMA-MRXNPFEDSA-N 0 3 302.418 4.086 20 30 DIEDHN N#Cc1ccccc1CSCCN[C@@H]1CCCc2occc21 ZINC000192749261 336260402 /nfs/dbraw/zinc/26/04/02/336260402.db2.gz HTMIBDQGGAYILI-QGZVFWFLSA-N 0 3 312.438 4.052 20 30 DIEDHN COc1ccc(CN(C)Cc2csc3ccccc23)cc1C#N ZINC000532745077 336269270 /nfs/dbraw/zinc/26/92/70/336269270.db2.gz GMEZRHKAQUNJED-UHFFFAOYSA-N 0 3 322.433 4.414 20 30 DIEDHN COc1ccc2c(c1)CCCN([C@@H](C)c1cccc(C#N)c1)C2 ZINC000526942198 336275356 /nfs/dbraw/zinc/27/53/56/336275356.db2.gz TVNKREAZJSIIAZ-HNNXBMFYSA-N 0 3 306.409 4.076 20 30 DIEDHN CSc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000192942148 336285486 /nfs/dbraw/zinc/28/54/86/336285486.db2.gz QEJKRNIYRKXLII-CQSZACIVSA-N 0 3 312.438 4.162 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000192977820 336286408 /nfs/dbraw/zinc/28/64/08/336286408.db2.gz UHUGGXIMRCHKSF-CHWSQXEVSA-N 0 3 316.351 4.279 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999233 336286718 /nfs/dbraw/zinc/28/67/18/336286718.db2.gz YBAWNDSAQAPDGH-MGPUTAFESA-N 0 3 324.424 4.399 20 30 DIEDHN C[C@H](N[C@@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018583 336287028 /nfs/dbraw/zinc/28/70/28/336287028.db2.gz PNRYBXZKAMXTAR-KBXCAEBGSA-N 0 3 324.449 4.477 20 30 DIEDHN CN(C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000301250759 336296913 /nfs/dbraw/zinc/29/69/13/336296913.db2.gz POBWGWZRNRVCJQ-QGZVFWFLSA-N 0 3 317.795 4.066 20 30 DIEDHN Cc1cc(NCCCCC#N)c2cc(OC(F)F)ccc2n1 ZINC000301366443 336302779 /nfs/dbraw/zinc/30/27/79/336302779.db2.gz QXLDICCOCLPBOB-UHFFFAOYSA-N 0 3 305.328 4.250 20 30 DIEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000301386055 336303810 /nfs/dbraw/zinc/30/38/10/336303810.db2.gz CNSGCPWHXWZRGL-OAHLLOKOSA-N 0 3 323.415 4.335 20 30 DIEDHN N#Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000301543595 336313734 /nfs/dbraw/zinc/31/37/34/336313734.db2.gz SRUQRWRWYSQRJZ-INIZCTEOSA-N 0 3 315.417 4.008 20 30 DIEDHN CN1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000302836987 336371576 /nfs/dbraw/zinc/37/15/76/336371576.db2.gz XAWMMTGKUMXJFF-QZTJIDSGSA-N 0 3 311.816 4.069 20 30 DIEDHN Cc1cscc1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352951697 336378982 /nfs/dbraw/zinc/37/89/82/336378982.db2.gz VKOHNUSYCUSJOM-UHFFFAOYSA-N 0 3 310.344 4.237 20 30 DIEDHN Cc1ccccc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353030082 336382940 /nfs/dbraw/zinc/38/29/40/336382940.db2.gz RTPOSLYKOQBWNO-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCSc3ccccc31)CC2 ZINC000353272298 336409399 /nfs/dbraw/zinc/40/93/99/336409399.db2.gz LNEBSALWOZJDKL-QZTJIDSGSA-N 0 3 306.434 4.372 20 30 DIEDHN COc1ccsc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353913165 336447724 /nfs/dbraw/zinc/44/77/24/336447724.db2.gz HHBQKZSWDSPXTR-OAHLLOKOSA-N 0 3 300.427 4.281 20 30 DIEDHN Cc1csc(CCCCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358559862 336634577 /nfs/dbraw/zinc/63/45/77/336634577.db2.gz DQFAOAUWYWBLHQ-CYBMUJFWSA-N 0 3 317.433 4.136 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(C3CC3)cc2)ccc1C#N ZINC000418118129 336869476 /nfs/dbraw/zinc/86/94/76/336869476.db2.gz VKRLFUMHXKDCIP-CQSZACIVSA-N 0 3 306.409 4.295 20 30 DIEDHN N#CC1(CCCN2Cc3ccccc3C3(CCC3)C2)CCOCC1 ZINC000375690151 337016636 /nfs/dbraw/zinc/01/66/36/337016636.db2.gz OXIBMOPRYDDKIB-UHFFFAOYSA-N 0 3 324.468 4.024 20 30 DIEDHN C[C@H](N[C@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179127 337028990 /nfs/dbraw/zinc/02/89/90/337028990.db2.gz XSTZZUUNMUPPHQ-HRAATJIYSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 ZINC000174369156 337141170 /nfs/dbraw/zinc/14/11/70/337141170.db2.gz WYLPDQLLKYADHK-CVEARBPZSA-N 0 3 316.408 4.156 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000176747990 337151988 /nfs/dbraw/zinc/15/19/88/337151988.db2.gz ZBNDTECPVGPQSN-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCCOCCN[C@H](CC)c1cccc(Br)c1 ZINC000222450619 337178504 /nfs/dbraw/zinc/17/85/04/337178504.db2.gz TYLVMSSCVJXLTJ-OAHLLOKOSA-N 0 3 312.251 4.083 20 30 DIEDHN CCC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000583024656 337226658 /nfs/dbraw/zinc/22/66/58/337226658.db2.gz GKQIXBAUVBBEFZ-HXUWFJFHSA-N 0 3 308.425 4.392 20 30 DIEDHN COc1cc(CN[C@H]2CC(C)(C)c3ccccc32)ccc1C#N ZINC000583077175 337236318 /nfs/dbraw/zinc/23/63/18/337236318.db2.gz HFSGTFNSXYYJSF-SFHVURJKSA-N 0 3 306.409 4.079 20 30 DIEDHN CC(C)c1ccc2c(c1)[C@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000191510760 337298730 /nfs/dbraw/zinc/29/87/30/337298730.db2.gz MEZIQZKCWQPBCQ-HXUWFJFHSA-N 0 3 307.441 4.187 20 30 DIEDHN Cc1ccsc1CNCc1cccc(OCCCC#N)c1 ZINC000237778437 337469391 /nfs/dbraw/zinc/46/93/91/337469391.db2.gz BVZKXMSFQXXBIH-UHFFFAOYSA-N 0 3 300.427 4.029 20 30 DIEDHN N#Cc1ccc(CNCc2ccc(OC3CCCC3)cc2)cc1F ZINC000421345735 337527720 /nfs/dbraw/zinc/52/77/20/337527720.db2.gz XOXCUQYFZIAPGH-UHFFFAOYSA-N 0 3 324.399 4.309 20 30 DIEDHN CC(C)CCOc1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000572120387 337591605 /nfs/dbraw/zinc/59/16/05/337591605.db2.gz USCMZOHKWVXFEL-UHFFFAOYSA-N 0 3 322.452 4.467 20 30 DIEDHN C=CC[C@H](C(=O)Nc1ccccc1CCN(C)C)c1ccccc1 ZINC000275583378 337662636 /nfs/dbraw/zinc/66/26/36/337662636.db2.gz DVAMBVRKUMHPJW-IBGZPJMESA-N 0 3 322.452 4.089 20 30 DIEDHN C=CCCCCCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275611774 337662729 /nfs/dbraw/zinc/66/27/29/337662729.db2.gz ILMYFMLXSJZUOE-UHFFFAOYSA-N 0 3 317.477 4.001 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000424119841 337743686 /nfs/dbraw/zinc/74/36/86/337743686.db2.gz DGRAEYPWSFKYHV-ZETOZRRWSA-N 0 3 300.229 4.235 20 30 DIEDHN C[C@H](NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000536863368 337747013 /nfs/dbraw/zinc/74/70/13/337747013.db2.gz LPIFWNZCOYWYRP-OOHWJJMZSA-N 0 3 310.397 4.192 20 30 DIEDHN N#Cc1ccc(CNCCCCCOC2CCCCC2)c(F)c1 ZINC000532987305 337804157 /nfs/dbraw/zinc/80/41/57/337804157.db2.gz TVGOWVOAOKRZKM-UHFFFAOYSA-N 0 3 318.436 4.307 20 30 DIEDHN COc1cc(-c2ccccc2)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195639 337805989 /nfs/dbraw/zinc/80/59/89/337805989.db2.gz MKXJUBGVXWVOPT-HNAYVOBHSA-N 0 3 306.409 4.144 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424318668 337820061 /nfs/dbraw/zinc/82/00/61/337820061.db2.gz DEUQVVQIMITVCN-VNHYZAJKSA-N 0 3 306.837 4.470 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000424332848 337822446 /nfs/dbraw/zinc/82/24/46/337822446.db2.gz TWJKWKARIVADGO-CVAIRZPRSA-N 0 3 308.400 4.391 20 30 DIEDHN C=CCCC[C@@H](C)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000536994977 337860459 /nfs/dbraw/zinc/86/04/59/337860459.db2.gz GCMIMRSKPRRMNE-OAHLLOKOSA-N 0 3 313.445 4.124 20 30 DIEDHN COc1ccc(C[C@@H](C)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000090665712 337884042 /nfs/dbraw/zinc/88/40/42/337884042.db2.gz YMLQWLKJCABYBN-OXQOHEQNSA-N 0 3 308.425 4.261 20 30 DIEDHN N#Cc1cccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121878652 337900234 /nfs/dbraw/zinc/90/02/34/337900234.db2.gz ILTTVZKLXURZHU-HXUWFJFHSA-N 0 3 318.420 4.050 20 30 DIEDHN C=CCOc1ccccc1CN1CCC(OC2CCCC2)CC1 ZINC000092758769 337908089 /nfs/dbraw/zinc/90/80/89/337908089.db2.gz NJXLCNHJXMZVAX-UHFFFAOYSA-N 0 3 315.457 4.175 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](c1ccccc1C)C1CC1 ZINC000537292275 337928506 /nfs/dbraw/zinc/92/85/06/337928506.db2.gz UITVYSHYRWCDIO-FQEVSTJZSA-N 0 3 306.409 4.116 20 30 DIEDHN C[C@H](CN[C@@H](C)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000537294114 337928782 /nfs/dbraw/zinc/92/87/82/337928782.db2.gz VKUUDBUCMPWUDM-KGLIPLIRSA-N 0 3 314.816 4.330 20 30 DIEDHN CC(C)(C#N)CCCN1CCCN(c2ccccc2Cl)CC1 ZINC000515917307 338001077 /nfs/dbraw/zinc/00/10/77/338001077.db2.gz AMDKQNLFYSLCFV-UHFFFAOYSA-N 0 3 319.880 4.182 20 30 DIEDHN CCN(CCOc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000516197578 338007086 /nfs/dbraw/zinc/00/70/86/338007086.db2.gz ITTABEVWLUXSMJ-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN C[C@H](C1CC1)N(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426365357 338028975 /nfs/dbraw/zinc/02/89/75/338028975.db2.gz LRFQZHAXRAEMBV-CYBMUJFWSA-N 0 3 307.359 4.320 20 30 DIEDHN CC[C@H]1CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430205348 338101261 /nfs/dbraw/zinc/10/12/61/338101261.db2.gz MVEYLYLTRMXVSW-IBGZPJMESA-N 0 3 306.409 4.122 20 30 DIEDHN N#CCC1(CN[C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000430724823 338112390 /nfs/dbraw/zinc/11/23/90/338112390.db2.gz OYRIIOXMRIJRAD-LJQANCHMSA-N 0 3 308.400 4.393 20 30 DIEDHN CC[C@H](NCC1(CC#N)CC1)c1cccc(Br)c1 ZINC000430758298 338113917 /nfs/dbraw/zinc/11/39/17/338113917.db2.gz CFEQGPOJVWLWBU-AWEZNQCLSA-N 0 3 307.235 4.184 20 30 DIEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874418 338117721 /nfs/dbraw/zinc/11/77/21/338117721.db2.gz CTRQNQFUXLBKLG-ZFWWWQNUSA-N 0 3 308.347 4.235 20 30 DIEDHN N#CC1(CN[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881787 338117974 /nfs/dbraw/zinc/11/79/74/338117974.db2.gz FKOPLXIXTSCZHF-GJZGRUSLSA-N 0 3 308.347 4.235 20 30 DIEDHN CCc1ccc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433101594 338181996 /nfs/dbraw/zinc/18/19/96/338181996.db2.gz DWGIMWJBRKFJAE-UZLBHIALSA-N 0 3 320.436 4.199 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000433122027 338182397 /nfs/dbraw/zinc/18/23/97/338182397.db2.gz UOHSRPNFDWPGLP-SJORKVTESA-N 0 3 324.449 4.184 20 30 DIEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433227850 338186714 /nfs/dbraw/zinc/18/67/14/338186714.db2.gz MRJVFUHUOSEVPW-YJBOKZPZSA-N 0 3 324.399 4.118 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000433230153 338186781 /nfs/dbraw/zinc/18/67/81/338186781.db2.gz DVOIMAUUEQSXHC-VQTJNVASSA-N 0 3 318.420 4.123 20 30 DIEDHN C[C@H](c1ccco1)N(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433302495 338190522 /nfs/dbraw/zinc/19/05/22/338190522.db2.gz IPPBNWAUAPMYLS-NVXWUHKLSA-N 0 3 322.408 4.104 20 30 DIEDHN CCCCCN(C(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000433316755 338191926 /nfs/dbraw/zinc/19/19/26/338191926.db2.gz HBIMTCPFDHPZLO-SFHVURJKSA-N 0 3 300.446 4.186 20 30 DIEDHN CCCC[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433352220 338193645 /nfs/dbraw/zinc/19/36/45/338193645.db2.gz LYWLRJOREUSFMB-GUDVDZBRSA-N 0 3 312.457 4.234 20 30 DIEDHN Cc1cc(C)cc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433357150 338193673 /nfs/dbraw/zinc/19/36/73/338193673.db2.gz VALPXNLRXPIANY-MJGOQNOKSA-N 0 3 320.436 4.253 20 30 DIEDHN CCCC[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433352219 338193700 /nfs/dbraw/zinc/19/37/00/338193700.db2.gz LYWLRJOREUSFMB-CEXWTWQISA-N 0 3 312.457 4.234 20 30 DIEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 ZINC000435736206 338246917 /nfs/dbraw/zinc/24/69/17/338246917.db2.gz UZBVIXKXRCTIOG-RTBURBONSA-N 0 3 300.446 4.022 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)c(Cl)c1Cl ZINC000435738795 338247146 /nfs/dbraw/zinc/24/71/46/338247146.db2.gz CJZXLRUAKKADLQ-NHYWBVRUSA-N 0 3 318.219 4.203 20 30 DIEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(Cl)c1Cl ZINC000435745100 338247581 /nfs/dbraw/zinc/24/75/81/338247581.db2.gz JLQHFPWRQSJQEO-JOYOIKCWSA-N 0 3 306.258 4.126 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1c[nH]nc1-c1ccsc1 ZINC000437694722 338318540 /nfs/dbraw/zinc/31/85/40/338318540.db2.gz URYVSCSJILOHTR-UHFFFAOYSA-N 0 3 323.465 4.369 20 30 DIEDHN C[C@@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000156047874 338329760 /nfs/dbraw/zinc/32/97/60/338329760.db2.gz VLXJCZONNIVMKE-ZETCQYMHSA-N 0 3 303.221 4.275 20 30 DIEDHN COc1cc(CN[C@H]2CCc3ccc(C(C)C)cc32)ccc1C#N ZINC000440622909 338392891 /nfs/dbraw/zinc/39/28/91/338392891.db2.gz FRJAWBIZNKKCGB-FQEVSTJZSA-N 0 3 320.436 4.467 20 30 DIEDHN CCCCOc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000440808696 338398011 /nfs/dbraw/zinc/39/80/11/338398011.db2.gz YOZDKFXBEOMFHH-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN CC1(C#N)CCC(N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000449205763 338602278 /nfs/dbraw/zinc/60/22/78/338602278.db2.gz MALLTZMLZFKWKF-SKINQDTJSA-N 0 3 323.415 4.372 20 30 DIEDHN CC(C)Oc1ccc([C@H]2CCC[C@H]2NCC2(C#N)CCC2)cc1 ZINC000450818670 338706937 /nfs/dbraw/zinc/70/69/37/338706937.db2.gz JAWUCDHSOGFCHT-RTBURBONSA-N 0 3 312.457 4.393 20 30 DIEDHN N#CCCCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451291859 338728598 /nfs/dbraw/zinc/72/85/98/338728598.db2.gz ASTWSEMZZRUDHB-UHFFFAOYSA-N 0 3 317.380 4.035 20 30 DIEDHN C[C@@H](NC[C@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222812 338809956 /nfs/dbraw/zinc/80/99/56/338809956.db2.gz RHFHSFHADUVHIE-OCCSQVGLSA-N 0 3 312.413 4.237 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000453350674 338829522 /nfs/dbraw/zinc/82/95/22/338829522.db2.gz LWFWEJLAFJJQMF-KFWWJZLASA-N 0 3 309.862 4.200 20 30 DIEDHN Cc1cc(C)c(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000453364693 338832167 /nfs/dbraw/zinc/83/21/67/338832167.db2.gz OMZKIEGZHBFVTD-HXUWFJFHSA-N 0 3 305.425 4.127 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1ccc(CN(C)C)c(C)c1)c1ccccc1 ZINC000458298659 338995228 /nfs/dbraw/zinc/99/52/28/338995228.db2.gz ZQJGVCGZNACVAM-KRWDZBQOSA-N 0 3 322.452 4.355 20 30 DIEDHN C[C@@H](CCCc1cccnc1)NCC#Cc1ccc(Cl)cc1 ZINC000459637820 339039818 /nfs/dbraw/zinc/03/98/18/339039818.db2.gz INISEQACLPPLIV-INIZCTEOSA-N 0 3 312.844 4.088 20 30 DIEDHN COc1ccccc1-c1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459737997 339045401 /nfs/dbraw/zinc/04/54/01/339045401.db2.gz XDEIERWTNNWLKD-UHFFFAOYSA-N 0 3 308.425 4.392 20 30 DIEDHN C=CCOc1ccccc1CNC[C@H](C)c1ccc(F)cc1F ZINC000462756031 339087236 /nfs/dbraw/zinc/08/72/36/339087236.db2.gz XSPDDYDSMXXNBK-AWEZNQCLSA-N 0 3 317.379 4.423 20 30 DIEDHN CCN(CC)[C@H](CNc1ccc(F)cc1C#N)c1ccsc1 ZINC000462918559 339098060 /nfs/dbraw/zinc/09/80/60/339098060.db2.gz CZRYLVLIYVFGPY-QGZVFWFLSA-N 0 3 317.433 4.254 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(COc3ccccc3)cc2)C1 ZINC000463281116 339113160 /nfs/dbraw/zinc/11/31/60/339113160.db2.gz JZNRTELOPXLUBK-WOJBJXKFSA-N 0 3 320.436 4.438 20 30 DIEDHN COCCSc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463282580 339113231 /nfs/dbraw/zinc/11/32/31/339113231.db2.gz LBFRZCNADDUIQS-YQQAZPJKSA-N 0 3 318.486 4.158 20 30 DIEDHN COCCSc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463282581 339113282 /nfs/dbraw/zinc/11/32/82/339113282.db2.gz LBFRZCNADDUIQS-ZMSDIMECSA-N 0 3 318.486 4.158 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(COc3ccccc3)c2)C1 ZINC000463288302 339113525 /nfs/dbraw/zinc/11/35/25/339113525.db2.gz BSQVBOCHUKGHDQ-FXAWDEMLSA-N 0 3 320.436 4.438 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292608 339113854 /nfs/dbraw/zinc/11/38/54/339113854.db2.gz WPNWUDKJRQVLLF-UXHICEINSA-N 0 3 320.436 4.438 20 30 DIEDHN C[C@H]1CCN(CCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000464852815 339157984 /nfs/dbraw/zinc/15/79/84/339157984.db2.gz MDWFEKRQYDOZDX-MAUKXSAKSA-N 0 3 310.397 4.003 20 30 DIEDHN C=CCOc1ccc(CNC[C@H](OC)C(C)(C)C)cc1Cl ZINC000465001438 339165077 /nfs/dbraw/zinc/16/50/77/339165077.db2.gz NVFIZPHMVXLTCQ-INIZCTEOSA-N 0 3 311.853 4.056 20 30 DIEDHN C=CC[C@@H](CC)NCc1csc(COc2ccc(C)cc2)n1 ZINC000466398650 339202510 /nfs/dbraw/zinc/20/25/10/339202510.db2.gz JBFVEDJSURIFER-OAHLLOKOSA-N 0 3 316.470 4.475 20 30 DIEDHN C=CCCN(C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000467392085 339236477 /nfs/dbraw/zinc/23/64/77/339236477.db2.gz UNTFYKSCNXUGFS-UHFFFAOYSA-N 0 3 317.864 4.210 20 30 DIEDHN N#Cc1cc(CN(Cc2ccc(F)cc2)CC2CC2)ccc1F ZINC000468265884 339258074 /nfs/dbraw/zinc/25/80/74/339258074.db2.gz IIVMNERTDITOLJ-UHFFFAOYSA-N 0 3 312.363 4.249 20 30 DIEDHN CC(C#N)C(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000469099031 339280153 /nfs/dbraw/zinc/28/01/53/339280153.db2.gz VRDDABGZSPYXEA-HNNXBMFYSA-N 0 3 306.409 4.271 20 30 DIEDHN CC(C#N)C(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000469099255 339280207 /nfs/dbraw/zinc/28/02/07/339280207.db2.gz VRDDABGZSPYXEA-OAHLLOKOSA-N 0 3 306.409 4.271 20 30 DIEDHN CCC(CC)(NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000469205020 339282957 /nfs/dbraw/zinc/28/29/57/339282957.db2.gz XCHLZLSZHZNPOM-SNVBAGLBSA-N 0 3 313.228 4.285 20 30 DIEDHN C=C(C)CN(CCC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000470915731 339331363 /nfs/dbraw/zinc/33/13/63/339331363.db2.gz FXCFVFSUVHJYLG-UHFFFAOYSA-N 0 3 322.452 4.402 20 30 DIEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1C(C)(C)C#N ZINC000470955840 339332935 /nfs/dbraw/zinc/33/29/35/339332935.db2.gz OYWAYXJIIXVFRF-TZMCWYRMSA-N 0 3 310.363 4.260 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145085 339364198 /nfs/dbraw/zinc/36/41/98/339364198.db2.gz ASTGCWYERQTXQR-WMZOPIPTSA-N 0 3 324.399 4.187 20 30 DIEDHN CCN(CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000472748666 339376906 /nfs/dbraw/zinc/37/69/06/339376906.db2.gz IFICLOPDZBBZNF-UHFFFAOYSA-N 0 3 304.437 4.371 20 30 DIEDHN C=CCC[C@H](C)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475633557 339457784 /nfs/dbraw/zinc/45/77/84/339457784.db2.gz GTOKOXZLODFXKF-HZMBPMFUSA-N 0 3 321.770 4.337 20 30 DIEDHN CCCOc1ccc(C(C)(C)NCc2cc(C#N)cs2)cc1 ZINC000475677651 339459371 /nfs/dbraw/zinc/45/93/71/339459371.db2.gz ZGZYZEJUERUTTO-UHFFFAOYSA-N 0 3 314.454 4.433 20 30 DIEDHN Cn1cc(CN[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309718 339568464 /nfs/dbraw/zinc/56/84/64/339568464.db2.gz LZQSNFJUQWHKJE-HNAYVOBHSA-N 0 3 319.452 4.286 20 30 DIEDHN C=CCC[C@H](CCC)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480686027 339583289 /nfs/dbraw/zinc/58/32/89/339583289.db2.gz YJORSFMHQYRVKZ-RBUKOAKNSA-N 0 3 315.436 4.373 20 30 DIEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cccc(C#N)c1 ZINC000481372756 339602630 /nfs/dbraw/zinc/60/26/30/339602630.db2.gz GAPSOHONYXYALZ-ACJLOTCBSA-N 0 3 314.816 4.077 20 30 DIEDHN Cc1cc([C@H](NCc2ccc(C#N)c(F)c2)C2CC2)ccc1F ZINC000484083427 339680740 /nfs/dbraw/zinc/68/07/40/339680740.db2.gz JCTOIQKCIYJGOB-LJQANCHMSA-N 0 3 312.363 4.386 20 30 DIEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC#Cc1ccccc1 ZINC000484099799 339680994 /nfs/dbraw/zinc/68/09/94/339680994.db2.gz ZYGAOZPJISGMJZ-HNAYVOBHSA-N 0 3 313.828 4.057 20 30 DIEDHN C=C(C)COc1cc(CNCc2cscc2C)ccc1OC ZINC000487162859 339744837 /nfs/dbraw/zinc/74/48/37/339744837.db2.gz ABIHVLRLTFQATK-UHFFFAOYSA-N 0 3 317.454 4.310 20 30 DIEDHN COc1ccc([C@H](NCc2ccc(C#N)c(C)c2)C2CC2)cc1 ZINC000488133767 339771463 /nfs/dbraw/zinc/77/14/63/339771463.db2.gz CBTZPQSRVYJUNA-HXUWFJFHSA-N 0 3 306.409 4.116 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000489131267 339802308 /nfs/dbraw/zinc/80/23/08/339802308.db2.gz PJISJXMLKJJLJG-OAHLLOKOSA-N 0 3 306.409 4.204 20 30 DIEDHN Cc1ccc(C[C@H]2CCCN2Cc2ccc(C#N)cc2F)cc1 ZINC000500234580 340053594 /nfs/dbraw/zinc/05/35/94/340053594.db2.gz XFJUKZCIWRBOCD-LJQANCHMSA-N 0 3 308.400 4.213 20 30 DIEDHN C[C@H](CN1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501038872 340073062 /nfs/dbraw/zinc/07/30/62/340073062.db2.gz ZCCKZIOFIMAPGK-CYBMUJFWSA-N 0 3 310.363 4.435 20 30 DIEDHN Cc1cc([C@H](C)NCCSCc2ccccc2C#N)oc1C ZINC000502434514 340103436 /nfs/dbraw/zinc/10/34/36/340103436.db2.gz ZLRGNBWKGYTSCW-AWEZNQCLSA-N 0 3 314.454 4.352 20 30 DIEDHN CC[C@H]1C[C@]1(NCc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598026 340108886 /nfs/dbraw/zinc/10/88/86/340108886.db2.gz YNHCEICDNINAEV-FXAWDEMLSA-N 0 3 308.400 4.421 20 30 DIEDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cccc(C#N)c1 ZINC000479447554 340151738 /nfs/dbraw/zinc/15/17/38/340151738.db2.gz DEXCCQHMWJZVAT-HNNXBMFYSA-N 0 3 303.409 4.209 20 30 DIEDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000479451493 340151835 /nfs/dbraw/zinc/15/18/35/340151835.db2.gz JTBIPNGQHRRNLM-CQSZACIVSA-N 0 3 321.399 4.348 20 30 DIEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000505448398 340168658 /nfs/dbraw/zinc/16/86/58/340168658.db2.gz ZGWFWHHSDCYZQC-UIAACRFSSA-N 0 3 318.420 4.124 20 30 DIEDHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1C ZINC000505765761 340177070 /nfs/dbraw/zinc/17/70/70/340177070.db2.gz HWCRWQPNLNGHQI-AWEZNQCLSA-N 0 3 321.405 4.159 20 30 DIEDHN CCN(Cc1ccc(C#N)s1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506401201 340194172 /nfs/dbraw/zinc/19/41/72/340194172.db2.gz FISKAXIFENHJKT-CQSZACIVSA-N 0 3 314.454 4.081 20 30 DIEDHN CCN(Cc1ccccc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000506481750 340195500 /nfs/dbraw/zinc/19/55/00/340195500.db2.gz QFDNOLWIKITPAV-MRXNPFEDSA-N 0 3 308.425 4.020 20 30 DIEDHN COc1ccccc1/C=C/CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000506553192 340196681 /nfs/dbraw/zinc/19/66/81/340196681.db2.gz VTLHSNISQLWZDM-GQCTYLIASA-N 0 3 318.420 4.245 20 30 DIEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cccc(C#N)c1 ZINC000507144615 340209366 /nfs/dbraw/zinc/20/93/66/340209366.db2.gz QYCWLOJWIOWPEG-FQEVSTJZSA-N 0 3 306.409 4.076 20 30 DIEDHN COCc1ccccc1/C=C(\C)CN(C)Cc1cccc(C#N)c1 ZINC000507192223 340212373 /nfs/dbraw/zinc/21/23/73/340212373.db2.gz RNALYLNGIXKPDZ-GZTJUZNOSA-N 0 3 320.436 4.240 20 30 DIEDHN CCOc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000507717065 340229541 /nfs/dbraw/zinc/22/95/41/340229541.db2.gz IUFPYPFTEDRIMB-UHFFFAOYSA-N 0 3 323.440 4.010 20 30 DIEDHN CC(C)CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000507719783 340229561 /nfs/dbraw/zinc/22/95/61/340229561.db2.gz UBZWWYDWLACSTL-UHFFFAOYSA-N 0 3 324.472 4.237 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000507732404 340229862 /nfs/dbraw/zinc/22/98/62/340229862.db2.gz MIGVSWPEGBCVCJ-UHFFFAOYSA-N 0 3 303.409 4.088 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000508600909 340247518 /nfs/dbraw/zinc/24/75/18/340247518.db2.gz RQMUEQNIGIYUTN-MRXNPFEDSA-N 0 3 303.409 4.403 20 30 DIEDHN CCN(CC1=Cc2ccccc2OC1)[C@H](C)c1ccc(C#N)cc1 ZINC000508606784 340247883 /nfs/dbraw/zinc/24/78/83/340247883.db2.gz ZPIUEXALJSLDRO-MRXNPFEDSA-N 0 3 318.420 4.417 20 30 DIEDHN C=CCOc1cccc(CN2CCC(Cc3cccnc3)CC2)c1 ZINC000508668773 340250053 /nfs/dbraw/zinc/25/00/53/340250053.db2.gz GHZQHBPDYDJDHD-UHFFFAOYSA-N 0 3 322.452 4.101 20 30 DIEDHN C[C@@H](F)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000509388022 340268000 /nfs/dbraw/zinc/26/80/00/340268000.db2.gz OKAQWLWVKWARQX-OAHLLOKOSA-N 0 3 314.379 4.448 20 30 DIEDHN CCN(CCOc1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000516616634 340270024 /nfs/dbraw/zinc/27/00/24/340270024.db2.gz XWJJJMUKRSIJCX-HNNXBMFYSA-N 0 3 312.388 4.159 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc2cc[nH]c21 ZINC000510653172 340305144 /nfs/dbraw/zinc/30/51/44/340305144.db2.gz ZPEHYKRESBIBJM-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN Cc1cccc(C)c1OCCCN(C)Cc1ccc(C#N)cc1 ZINC000303442623 340325726 /nfs/dbraw/zinc/32/57/26/340325726.db2.gz BCBZBKLPQUKXJB-UHFFFAOYSA-N 0 3 308.425 4.076 20 30 DIEDHN C=C(C)CN(CCCCc1ccccc1)Cc1ccc(CO)o1 ZINC000512182364 340351292 /nfs/dbraw/zinc/35/12/92/340351292.db2.gz RTGKFPKWRIKEKR-UHFFFAOYSA-N 0 3 313.441 4.173 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@H]2Cc2cccc(F)c2)c1F ZINC000512479773 340363363 /nfs/dbraw/zinc/36/33/63/340363363.db2.gz IXGSZCRCUYJPCP-SFHVURJKSA-N 0 3 312.363 4.044 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OC)cc2CC)cc1 ZINC000512516165 340365128 /nfs/dbraw/zinc/36/51/28/340365128.db2.gz AYROBHNZXJFVBS-UHFFFAOYSA-N 0 3 311.425 4.112 20 30 DIEDHN C=CCOc1ccc(CNCc2cc(C)c3ncccc3c2)cc1 ZINC000512537422 340366050 /nfs/dbraw/zinc/36/60/50/340366050.db2.gz SFAMZCIFFVLUMN-UHFFFAOYSA-N 0 3 318.420 4.398 20 30 DIEDHN C[C@@H](NCCc1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512612945 340368919 /nfs/dbraw/zinc/36/89/19/340368919.db2.gz QPUFPJRAKQRWGB-LLVKDONJSA-N 0 3 320.770 4.383 20 30 DIEDHN Cc1cc(C)cc(OCCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512614070 340369119 /nfs/dbraw/zinc/36/91/19/340369119.db2.gz USTKAXFLYGOWDS-HNNXBMFYSA-N 0 3 312.388 4.044 20 30 DIEDHN C[C@H](NCCc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512618869 340369378 /nfs/dbraw/zinc/36/93/78/340369378.db2.gz KEKPXXBBQBDVGX-LBPRGKRZSA-N 0 3 302.780 4.244 20 30 DIEDHN CCS[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512629390 340369824 /nfs/dbraw/zinc/36/98/24/340369824.db2.gz ITTZWXXOKRITAU-VHDGCEQUSA-N 0 3 306.450 4.412 20 30 DIEDHN C[C@@H](N[C@@H](C)CCc1ccc(O)cc1)c1ccc(C#N)cc1F ZINC000512633600 340370147 /nfs/dbraw/zinc/37/01/47/340370147.db2.gz AAWAUZDHRAFAQV-UONOGXRCSA-N 0 3 312.388 4.075 20 30 DIEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641268 340370434 /nfs/dbraw/zinc/37/04/34/340370434.db2.gz FPYVKFUFWPFSQB-RYUDHWBXSA-N 0 3 318.342 4.430 20 30 DIEDHN C[C@H](NCCOc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512641565 340370535 /nfs/dbraw/zinc/37/05/35/340370535.db2.gz IHZNOUJLOOCBDO-LBPRGKRZSA-N 0 3 318.779 4.080 20 30 DIEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642070 340370558 /nfs/dbraw/zinc/37/05/58/340370558.db2.gz MGTKCMUFRDRLOT-JEBQAFNWSA-N 0 3 316.420 4.086 20 30 DIEDHN C[C@@H](NC[C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512641269 340370697 /nfs/dbraw/zinc/37/06/97/340370697.db2.gz FPYVKFUFWPFSQB-VXGBXAGGSA-N 0 3 318.342 4.430 20 30 DIEDHN C[C@H](NCC1(c2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512647645 340370811 /nfs/dbraw/zinc/37/08/11/340370811.db2.gz IZBXHWBVXOYBKA-HNNXBMFYSA-N 0 3 308.400 4.470 20 30 DIEDHN C[C@H](NC1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000512672709 340372385 /nfs/dbraw/zinc/37/23/85/340372385.db2.gz LYGQKHZSPQCAKQ-PKSQDBQZSA-N 0 3 314.326 4.469 20 30 DIEDHN CC(C)COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000173997134 340379736 /nfs/dbraw/zinc/37/97/36/340379736.db2.gz XKFGLHAOKZYCQL-MRXNPFEDSA-N 0 3 308.425 4.444 20 30 DIEDHN CCCCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000404768124 340414281 /nfs/dbraw/zinc/41/42/81/340414281.db2.gz UHFBIBIXLSZLKL-UHFFFAOYSA-N 0 3 312.388 4.166 20 30 DIEDHN C=CCC[C@@H](NCCCc1nc(C(C)C)no1)c1ccco1 ZINC000513691873 340419844 /nfs/dbraw/zinc/41/98/44/340419844.db2.gz XAMDVCPFROSARW-CQSZACIVSA-N 0 3 303.406 4.016 20 30 DIEDHN N#Cc1csc(CNC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186434245 340512588 /nfs/dbraw/zinc/51/25/88/340512588.db2.gz FKGGYYGDUJOMKJ-CQSZACIVSA-N 0 3 310.344 4.055 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000192365810 340566504 /nfs/dbraw/zinc/56/65/04/340566504.db2.gz WHTQJQFSNJOZEG-LJQANCHMSA-N 0 3 320.436 4.361 20 30 DIEDHN C=CCc1cc(CNC(C)(C)c2cccs2)cc(OC)c1O ZINC000523977046 340645165 /nfs/dbraw/zinc/64/51/65/340645165.db2.gz SDJVBFBKNWXMDH-UHFFFAOYSA-N 0 3 317.454 4.216 20 30 DIEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000037488219 340785406 /nfs/dbraw/zinc/78/54/06/340785406.db2.gz UIPWHRKPVCZEDU-LBPRGKRZSA-N 0 3 315.214 4.172 20 30 DIEDHN C=CCCOCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000538116068 340810235 /nfs/dbraw/zinc/81/02/35/340810235.db2.gz IAXOZZAUSCOXLL-INIZCTEOSA-N 0 3 313.363 4.339 20 30 DIEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccc(Cl)cc1Cl ZINC000538198311 340812963 /nfs/dbraw/zinc/81/29/63/340812963.db2.gz QHLYSIILIBZUOB-NHYWBVRUSA-N 0 3 302.245 4.219 20 30 DIEDHN C=CCC[C@@H](O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000538258464 340815135 /nfs/dbraw/zinc/81/51/35/340815135.db2.gz YXDIPWGPMVPSRI-YLJYHZDGSA-N 0 3 313.416 4.026 20 30 DIEDHN COc1ccc(C2CCN(Cc3ccc(C#N)s3)CC2)cc1 ZINC000538733793 340844161 /nfs/dbraw/zinc/84/41/61/340844161.db2.gz YKTBXMLEHFLQJL-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN CC(C)c1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000539508793 340888551 /nfs/dbraw/zinc/88/85/51/340888551.db2.gz ZQUGVZGXLSEKRU-MRXNPFEDSA-N 0 3 308.425 4.411 20 30 DIEDHN C=C(C)COCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000540159334 340918826 /nfs/dbraw/zinc/91/88/26/340918826.db2.gz CAWMWVGBXFLAHE-LLVKDONJSA-N 0 3 319.779 4.185 20 30 DIEDHN C=C(C)COCCN[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000540159763 340918940 /nfs/dbraw/zinc/91/89/40/340918940.db2.gz OCYUZKWUHWMVFF-CYBMUJFWSA-N 0 3 315.429 4.287 20 30 DIEDHN C[C@@H](Cc1ccsc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000540186362 340921819 /nfs/dbraw/zinc/92/18/19/340921819.db2.gz UIRYFTXBJIPQOV-ZDUSSCGKSA-N 0 3 323.383 4.339 20 30 DIEDHN Cc1cc(C)cc(OCCN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000540707321 340942379 /nfs/dbraw/zinc/94/23/79/340942379.db2.gz UJLLRDMEUXAEDC-HNNXBMFYSA-N 0 3 312.388 4.044 20 30 DIEDHN C=C(C)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541588280 340976333 /nfs/dbraw/zinc/97/63/33/340976333.db2.gz CJASVVZCJNSXRN-SFHVURJKSA-N 0 3 309.388 4.082 20 30 DIEDHN C[C@@H](CN1CCC(CC#N)CC1)c1cccc(Br)c1 ZINC000542852722 341023554 /nfs/dbraw/zinc/02/35/54/341023554.db2.gz AQDOVBSHVQQXNT-ZDUSSCGKSA-N 0 3 321.262 4.178 20 30 DIEDHN CCN(Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000543139260 341033642 /nfs/dbraw/zinc/03/36/42/341033642.db2.gz OQOPCSAJQCFANN-INIZCTEOSA-N 0 3 303.409 4.207 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000543209674 341036917 /nfs/dbraw/zinc/03/69/17/341036917.db2.gz YWSOATAWPSWLTE-MGPUTAFESA-N 0 3 308.400 4.475 20 30 DIEDHN CSc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543414179 341043134 /nfs/dbraw/zinc/04/31/34/341043134.db2.gz SQSQWTCWKUOUFM-UHFFFAOYSA-N 0 3 308.450 4.445 20 30 DIEDHN CCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000543414298 341043145 /nfs/dbraw/zinc/04/31/45/341043145.db2.gz XCBFVLWSCGEBHC-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000543487124 341047083 /nfs/dbraw/zinc/04/70/83/341047083.db2.gz KYZLDUOSUWCZSP-HOTGVXAUSA-N 0 3 320.502 4.014 20 30 DIEDHN CCOC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961858 341064408 /nfs/dbraw/zinc/06/44/08/341064408.db2.gz UGRKVVOQFXKVMG-CVEARBPZSA-N 0 3 308.425 4.301 20 30 DIEDHN COc1cccc(C2=CCN(Cc3ccc(CC#N)cc3)CC2)c1 ZINC000544068635 341069041 /nfs/dbraw/zinc/06/90/41/341069041.db2.gz UAJSSRCKOFGJHO-UHFFFAOYSA-N 0 3 318.420 4.051 20 30 DIEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccccc1C(F)(F)F ZINC000544069767 341069084 /nfs/dbraw/zinc/06/90/84/341069084.db2.gz PIPQYTHICFSZMY-UHFFFAOYSA-N 0 3 318.342 4.403 20 30 DIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(N2CCCC2)c1 ZINC000544117910 341070795 /nfs/dbraw/zinc/07/07/95/341070795.db2.gz VGAGEHABMBZFLQ-QGZVFWFLSA-N 0 3 319.452 4.204 20 30 DIEDHN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000074336155 341144151 /nfs/dbraw/zinc/14/41/51/341144151.db2.gz NOXAXYIUHJGCNQ-GFCCVEGCSA-N 0 3 302.324 4.010 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cccc(C#N)c1 ZINC000076767091 341213734 /nfs/dbraw/zinc/21/37/34/341213734.db2.gz CWHKNHBCELZMCX-ACJLOTCBSA-N 0 3 314.816 4.077 20 30 DIEDHN N#Cc1ccc(CNCC2(c3c(F)cccc3F)CCCC2)o1 ZINC000237767557 341220332 /nfs/dbraw/zinc/22/03/32/341220332.db2.gz IWWFCCJKBPULCL-UHFFFAOYSA-N 0 3 316.351 4.031 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000080378391 341273318 /nfs/dbraw/zinc/27/33/18/341273318.db2.gz PLTJIEPAXYWRHB-AWEZNQCLSA-N 0 3 314.410 4.119 20 30 DIEDHN CC(C)(CNCc1cccc(OCCCC#N)c1)C(F)(F)F ZINC000548859788 341278497 /nfs/dbraw/zinc/27/84/97/341278497.db2.gz YRHRUNDIWIHFHH-UHFFFAOYSA-N 0 3 314.351 4.047 20 30 DIEDHN COc1ccc([C@@H](CCC#N)NCC(C)(C)C(F)(F)F)cc1 ZINC000549039215 341284253 /nfs/dbraw/zinc/28/42/53/341284253.db2.gz GSUIVPCBWXSPIV-CQSZACIVSA-N 0 3 314.351 4.218 20 30 DIEDHN CCCOc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000549167913 341287744 /nfs/dbraw/zinc/28/77/44/341287744.db2.gz XVXDQKKKNUDGRD-INIZCTEOSA-N 0 3 324.424 4.077 20 30 DIEDHN Cc1[nH]c2ccccc2c1C1=CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549527939 341296441 /nfs/dbraw/zinc/29/64/41/341296441.db2.gz YNHKDIPNYYDUKC-NVXWUHKLSA-N 0 3 305.425 4.258 20 30 DIEDHN N#C[C@H]1CC[C@H](NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551238394 341334819 /nfs/dbraw/zinc/33/48/19/341334819.db2.gz BZULSMFJCUJVDE-FZMZJTMJSA-N 0 3 317.845 4.245 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551238395 341334862 /nfs/dbraw/zinc/33/48/62/341334862.db2.gz BZULSMFJCUJVDE-RISCZKNCSA-N 0 3 317.845 4.245 20 30 DIEDHN N#Cc1cccc(C2(NC/C=C\c3ccc(F)cc3F)CC2)c1 ZINC000551580411 341346299 /nfs/dbraw/zinc/34/62/99/341346299.db2.gz HPZWCCODQGELPE-RQOWECAXSA-N 0 3 310.347 4.129 20 30 DIEDHN N#CC1(CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823458 341353081 /nfs/dbraw/zinc/35/30/81/341353081.db2.gz GWFIKFDTKRNENN-CABCVRRESA-N 0 3 308.347 4.235 20 30 DIEDHN C=CCC[C@@H](NCCCn1cnc2ccccc21)c1ccco1 ZINC000552040297 341364057 /nfs/dbraw/zinc/36/40/57/341364057.db2.gz WMNZNUAQWUZTCR-QGZVFWFLSA-N 0 3 309.413 4.317 20 30 DIEDHN C=CCC[C@H](NC[C@@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043699 341364437 /nfs/dbraw/zinc/36/44/37/341364437.db2.gz ZGZDWSIOZILEEC-QAPCUYQASA-N 0 3 315.413 4.353 20 30 DIEDHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccc(C#N)cc1Cl ZINC000552097820 341369585 /nfs/dbraw/zinc/36/95/85/341369585.db2.gz NWKPURYQWXEWKE-VIFPVBQESA-N 0 3 302.727 4.205 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1OCC ZINC000248912941 341390031 /nfs/dbraw/zinc/39/00/31/341390031.db2.gz VQLOMSCIZJLAFS-UXLLHSPISA-N 0 3 316.445 4.217 20 30 DIEDHN CC(C#N)C(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000552411246 341392195 /nfs/dbraw/zinc/39/21/95/341392195.db2.gz SBSVYPMNCVHCRT-KCXAZCMYSA-N 0 3 304.821 4.032 20 30 DIEDHN Cc1cc(C)c2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000566219330 341551061 /nfs/dbraw/zinc/55/10/61/341551061.db2.gz DTYPQIZKMAYOGI-HXUWFJFHSA-N 0 3 320.436 4.373 20 30 DIEDHN CC(C)N(C)c1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000574847871 341770711 /nfs/dbraw/zinc/77/07/11/341770711.db2.gz LWICMMZJSGYFHI-FQEVSTJZSA-N 0 3 319.452 4.180 20 30 DIEDHN COc1ccc([C@@H](CCC#N)NCCSCC(C)C)cc1 ZINC000577703613 341930172 /nfs/dbraw/zinc/93/01/72/341930172.db2.gz DDIWKRJQANROOG-QGZVFWFLSA-N 0 3 306.475 4.019 20 30 DIEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000577991727 341964516 /nfs/dbraw/zinc/96/45/16/341964516.db2.gz MQYHQIROXCKWQU-CVEARBPZSA-N 0 3 309.413 4.003 20 30 DIEDHN CC[C@@H](C)CN(C)c1ccc(F)cc1CNCC1(CC#N)CC1 ZINC000430030224 517753882 /nfs/dbraw/zinc/75/38/82/517753882.db2.gz ZWOIZLKHCYDGDY-OAHLLOKOSA-N 0 3 317.452 4.091 20 30 DIEDHN CC(C)Oc1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000182629154 519781775 /nfs/dbraw/zinc/78/17/75/519781775.db2.gz OWAULQCPSSZKQS-AWEZNQCLSA-N 0 3 312.388 4.335 20 30 DIEDHN CC[C@H](C)[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546146 521890530 /nfs/dbraw/zinc/89/05/30/521890530.db2.gz RNHLXMAPBJJPOZ-YOEHRIQHSA-N 0 3 324.428 4.009 20 30 DIEDHN COc1ccc([C@@H](N[C@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424647 525204571 /nfs/dbraw/zinc/20/45/71/525204571.db2.gz VLYOFDKGRCDLHZ-VLIAUNLRSA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000181861770 525442955 /nfs/dbraw/zinc/44/29/55/525442955.db2.gz IUDSTLUWSWEMBQ-HNNXBMFYSA-N 0 3 323.415 4.148 20 30 DIEDHN C[C@@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430850 525666698 /nfs/dbraw/zinc/66/66/98/525666698.db2.gz RNSDFNXGZRKEAO-DYESRHJHSA-N 0 3 319.452 4.046 20 30 DIEDHN C[C@@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622890 525669403 /nfs/dbraw/zinc/66/94/03/525669403.db2.gz WDAZUMWUAROFIM-UIAACRFSSA-N 0 3 306.409 4.129 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000265475197 526035228 /nfs/dbraw/zinc/03/52/28/526035228.db2.gz JZAWKDPGLDJZNS-HRAATJIYSA-N 0 3 320.436 4.065 20 30 DIEDHN N#CC(C(=O)c1cccc(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000654999500 1035672328 /nfs/dbraw/zinc/67/23/28/1035672328.db2.gz NDORWXIZBGNYFO-OAHLLOKOSA-N 0 3 308.406 4.388 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175754576 1035775576 /nfs/dbraw/zinc/77/55/76/1035775576.db2.gz XJWABNZZANPCJJ-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154324753 1035864114 /nfs/dbraw/zinc/86/41/14/1035864114.db2.gz DANKJSVJBPNVJJ-KSSFIOAISA-N 0 3 322.408 4.131 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1ccc(C#N)cc1 ZINC000154340835 1035874550 /nfs/dbraw/zinc/87/45/50/1035874550.db2.gz FFRGMVKUURTPMI-KBPBESRZSA-N 0 3 311.404 4.175 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C(C)C)C1CCC1 ZINC000533532617 1036078380 /nfs/dbraw/zinc/07/83/80/1036078380.db2.gz PZRFOCJCMVGAAI-UHFFFAOYSA-N 0 3 318.486 4.166 20 30 DIEDHN C=CCN(CCOC1CCCCCC1)Cc1ccc(OC)cc1 ZINC001167117084 1036114002 /nfs/dbraw/zinc/11/40/02/1036114002.db2.gz ZNDMYYPCIHQCLC-UHFFFAOYSA-N 0 3 317.473 4.423 20 30 DIEDHN C[C@H]1CC[C@]2(CCN(Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108729 1036310190 /nfs/dbraw/zinc/31/01/90/1036310190.db2.gz VFSQKSDOBWXDIX-KSSFIOAISA-N 0 3 318.848 4.254 20 30 DIEDHN CCCCCCCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC001167267644 1036350301 /nfs/dbraw/zinc/35/03/01/1036350301.db2.gz GYZMYZPNZHDPID-IBGZPJMESA-N 0 3 316.489 4.300 20 30 DIEDHN C=CCSCCN[C@@H](C)c1sccc1Br ZINC000129376091 1036398722 /nfs/dbraw/zinc/39/87/22/1036398722.db2.gz AHJRGYDSBFQHQG-VIFPVBQESA-N 0 3 306.294 4.080 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1ccccn1)C1CCC1 ZINC000599068191 1036457268 /nfs/dbraw/zinc/45/72/68/1036457268.db2.gz LULYMDLUUZOMOP-CTNGQTDRSA-N 0 3 317.436 4.462 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H](c3ccccc3)CC2)ccc1F ZINC001167303217 1036559700 /nfs/dbraw/zinc/55/97/00/1036559700.db2.gz YHYJCAYZGXOXEI-SFHVURJKSA-N 0 3 308.400 4.467 20 30 DIEDHN C[C@@H](NCc1cccc(-c2ccncc2)c1)c1ccc(C#N)cc1 ZINC000610346159 1036841268 /nfs/dbraw/zinc/84/12/68/1036841268.db2.gz MZJJUONTCNZPEU-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN CC(C)(C)OCc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177694387 1036908465 /nfs/dbraw/zinc/90/84/65/1036908465.db2.gz VZLZYAOAZMDQDI-UHFFFAOYSA-N 0 3 314.454 4.225 20 30 DIEDHN C=CCN(Cc1cc(C(=O)OC)cs1)CC1CCCCC1 ZINC001167392623 1037107472 /nfs/dbraw/zinc/10/74/72/1037107472.db2.gz VJYQJNJTKUCCMI-UHFFFAOYSA-N 0 3 307.459 4.103 20 30 DIEDHN Cc1cc(Br)ccc1CN(C)CCC(C)(C)C#N ZINC000558119011 1037455040 /nfs/dbraw/zinc/45/50/40/1037455040.db2.gz WFQYEBRZFNUJGC-UHFFFAOYSA-N 0 3 309.251 4.129 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000160970061 1037778783 /nfs/dbraw/zinc/77/87/83/1037778783.db2.gz MIMDSRLPAYNGGN-SFHVURJKSA-N 0 3 311.450 4.317 20 30 DIEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000602535653 1038036981 /nfs/dbraw/zinc/03/69/81/1038036981.db2.gz WIDUPDOBQGALOM-GOSISDBHSA-N 0 3 313.445 4.084 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2nccs2)CC1 ZINC000602954037 1038117170 /nfs/dbraw/zinc/11/71/70/1038117170.db2.gz GNBBONTWHJLMOC-CQSZACIVSA-N 0 3 311.454 4.030 20 30 DIEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000598613610 1038132187 /nfs/dbraw/zinc/13/21/87/1038132187.db2.gz KNYMHOJJURSHNG-SJORKVTESA-N 0 3 320.864 4.168 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000061001594 1038157553 /nfs/dbraw/zinc/15/75/53/1038157553.db2.gz CITIIUZWOPPGAH-UHFFFAOYSA-N 0 3 323.396 4.187 20 30 DIEDHN COCCCCN(Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891811163 1038210088 /nfs/dbraw/zinc/21/00/88/1038210088.db2.gz YWLBGYONNRRFRX-UHFFFAOYSA-N 0 3 314.454 4.049 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2c1cccc2F ZINC000341700039 1038232957 /nfs/dbraw/zinc/23/29/57/1038232957.db2.gz SPDPOJVNKRXVLY-VQTJNVASSA-N 0 3 306.384 4.352 20 30 DIEDHN COc1ccccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757048 1038260460 /nfs/dbraw/zinc/26/04/60/1038260460.db2.gz HICKSPHFECZVJN-AUUYWEPGSA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756051 1038261074 /nfs/dbraw/zinc/26/10/74/1038261074.db2.gz BSPIOOTVLLDMMM-UGSOOPFHSA-N 0 3 320.392 4.015 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1OC ZINC000599348367 1038270985 /nfs/dbraw/zinc/27/09/85/1038270985.db2.gz JMHODONEPXCAJX-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN Cc1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1C#N ZINC000599347311 1038271114 /nfs/dbraw/zinc/27/11/14/1038271114.db2.gz GMDQYVAUSQJTDU-ZDUSSCGKSA-N 0 3 316.351 4.319 20 30 DIEDHN C=C(CNCc1ccc(OC)cc1OC(F)F)c1ccccc1 ZINC000604065597 1038352990 /nfs/dbraw/zinc/35/29/90/1038352990.db2.gz JNLGZNPFJHMYBG-UHFFFAOYSA-N 0 3 319.351 4.100 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000610829802 1038371862 /nfs/dbraw/zinc/37/18/62/1038371862.db2.gz MVABFNVJZFPEBY-GJZGRUSLSA-N 0 3 322.408 4.131 20 30 DIEDHN N#CC(C(=O)c1cc2[nH]ccc2s1)c1ccc2ccccc2n1 ZINC000684629618 1038414404 /nfs/dbraw/zinc/41/44/04/1038414404.db2.gz ACCCTWGAIZAWGV-GFCCVEGCSA-N 0 3 317.373 4.268 20 30 DIEDHN N#Cc1cc(CN2CCCCC[C@@H]2/C=C\c2ccccc2)ccn1 ZINC000610994670 1038425662 /nfs/dbraw/zinc/42/56/62/1038425662.db2.gz MJQONWHLZYMDCX-KUFMOJEASA-N 0 3 317.436 4.411 20 30 DIEDHN CC(C)(CCC#N)CNCc1c(F)cccc1OC(F)(F)F ZINC000342293540 1038520295 /nfs/dbraw/zinc/52/02/95/1038520295.db2.gz GWRSARRXEQHTIJ-UHFFFAOYSA-N 0 3 318.314 4.144 20 30 DIEDHN COc1ccc(C#N)cc1CN[C@@H](CC(C)C)c1ccccc1 ZINC000539244596 1038544619 /nfs/dbraw/zinc/54/46/19/1038544619.db2.gz ZGPXGDMQJXJULS-IBGZPJMESA-N 0 3 308.425 4.444 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000075755668 1038759932 /nfs/dbraw/zinc/75/99/32/1038759932.db2.gz GWMRSHPXTVDOPO-HNNXBMFYSA-N 0 3 324.424 4.205 20 30 DIEDHN C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000076397654 1038839241 /nfs/dbraw/zinc/83/92/41/1038839241.db2.gz BHTFPUFIMUHEMZ-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN COc1ccccc1CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000608833235 1038930436 /nfs/dbraw/zinc/93/04/36/1038930436.db2.gz DBMNKIOKOJPNRX-UHFFFAOYSA-N 0 3 320.436 4.022 20 30 DIEDHN COc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000174348086 1038931495 /nfs/dbraw/zinc/93/14/95/1038931495.db2.gz WZNPLDUHPGMTAS-HXUWFJFHSA-N 0 3 324.399 4.337 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000218862287 1039180939 /nfs/dbraw/zinc/18/09/39/1039180939.db2.gz KHQWPYLNSXATNS-SJORKVTESA-N 0 3 324.468 4.304 20 30 DIEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000150882687 1039266778 /nfs/dbraw/zinc/26/67/78/1039266778.db2.gz BMKBXHVSXAHUMN-KRWDZBQOSA-N 0 3 302.462 4.309 20 30 DIEDHN CC[C@H](CSc1ccc(C)c(C)c1)NCc1ccc(C#N)o1 ZINC000539527967 1039284352 /nfs/dbraw/zinc/28/43/52/1039284352.db2.gz FEEVLRUXGVCZDE-OAHLLOKOSA-N 0 3 314.454 4.429 20 30 DIEDHN C=CCc1cc(CN[C@H](C)c2ccsc2)cc(OC)c1O ZINC000669831199 1039292289 /nfs/dbraw/zinc/29/22/89/1039292289.db2.gz XDZJFICCNGEPNO-GFCCVEGCSA-N 0 3 303.427 4.042 20 30 DIEDHN CC(C)(O)C#Cc1cccc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213168683 1039302822 /nfs/dbraw/zinc/30/28/22/1039302822.db2.gz OURQBKMHHNGQGB-UHFFFAOYSA-N 0 3 308.425 4.245 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043079 1039341285 /nfs/dbraw/zinc/34/12/85/1039341285.db2.gz FWJQIRVVQUDDKZ-UGSOOPFHSA-N 0 3 317.392 4.428 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000566624237 1039402924 /nfs/dbraw/zinc/40/29/24/1039402924.db2.gz PNLOWVJCETUCBY-XJKSGUPXSA-N 0 3 308.347 4.342 20 30 DIEDHN N#CC(C(=O)C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000255573672 1039410788 /nfs/dbraw/zinc/41/07/88/1039410788.db2.gz BECPVLOOVUFZOG-IWMPZKFUSA-N 0 3 319.389 4.045 20 30 DIEDHN C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1 ZINC000583681950 1039424903 /nfs/dbraw/zinc/42/49/03/1039424903.db2.gz FPMTVSSVYRPLTB-LJQANCHMSA-N 0 3 321.424 4.119 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2cccs2)cc1 ZINC000157818327 1039475512 /nfs/dbraw/zinc/47/55/12/1039475512.db2.gz NCIHMRMGPWLZEX-KGLIPLIRSA-N 0 3 300.427 4.232 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@H](CC(C)C)c1ccccc1 ZINC000540341727 1039480926 /nfs/dbraw/zinc/48/09/26/1039480926.db2.gz SETROJHKAUREPL-LJQANCHMSA-N 0 3 308.425 4.444 20 30 DIEDHN CCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1F ZINC000278639208 1039612427 /nfs/dbraw/zinc/61/24/27/1039612427.db2.gz HJOQLXGTDOUFKF-SFHVURJKSA-N 0 3 312.388 4.337 20 30 DIEDHN CC[C@H](NC1(c2cccc(OC)c2)CC1)c1ccc(C#N)cc1 ZINC000278641731 1039615415 /nfs/dbraw/zinc/61/54/15/1039615415.db2.gz HNAGMEBOSADIGS-IBGZPJMESA-N 0 3 306.409 4.297 20 30 DIEDHN CCOc1cc(CN[C@@H](CC)c2ccc(C#N)cc2)ccc1OC ZINC000278649516 1039620355 /nfs/dbraw/zinc/62/03/55/1039620355.db2.gz HZOVNQDCABUHLS-SFHVURJKSA-N 0 3 324.424 4.206 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000541555305 1039702780 /nfs/dbraw/zinc/70/27/80/1039702780.db2.gz WCYMYOPROYZAHG-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000541625779 1039720275 /nfs/dbraw/zinc/72/02/75/1039720275.db2.gz KSWXDQXIJXEFPS-HOTGVXAUSA-N 0 3 322.518 4.238 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(COCC)cc2)cc1 ZINC000151623408 1039843924 /nfs/dbraw/zinc/84/39/24/1039843924.db2.gz PMSDKAQJYBNKHT-QGZVFWFLSA-N 0 3 323.436 4.086 20 30 DIEDHN COc1ccc2cc(CNCc3ccc(C#N)c(C)c3)ccc2c1 ZINC000443968700 1039985090 /nfs/dbraw/zinc/98/50/90/1039985090.db2.gz OEIILYWXAKUSSF-UHFFFAOYSA-N 0 3 316.404 4.318 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C(F)(F)F)cs1 ZINC000657889006 1040035419 /nfs/dbraw/zinc/03/54/19/1040035419.db2.gz OZOMJBNBNDEHQH-GHMZBOCLSA-N 0 3 304.381 4.386 20 30 DIEDHN N#CC(C(=O)c1ccc(Cl)s1)c1ccc2ccccc2n1 ZINC000613290995 1040038188 /nfs/dbraw/zinc/03/81/88/1040038188.db2.gz QSTPHZOQZFDRPN-LLVKDONJSA-N 0 3 312.781 4.440 20 30 DIEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179201188 1040057234 /nfs/dbraw/zinc/05/72/34/1040057234.db2.gz GCKRHECRTFBAGC-OAHLLOKOSA-N 0 3 319.408 4.022 20 30 DIEDHN C=CCCC1(CN[C@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000658100070 1040305940 /nfs/dbraw/zinc/30/59/40/1040305940.db2.gz ZNUXXAXFTCERCB-KRWDZBQOSA-N 0 3 310.445 4.010 20 30 DIEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2)c1nc(C2CC2)cs1 ZINC000647372621 1040352927 /nfs/dbraw/zinc/35/29/27/1040352927.db2.gz QRQDXPNOPVGXTO-INIZCTEOSA-N 0 3 322.433 4.389 20 30 DIEDHN N#CC(C(=O)c1ccc2c(c1)CCC=C2)c1nc(C2CC2)cs1 ZINC000647379864 1040387013 /nfs/dbraw/zinc/38/70/13/1040387013.db2.gz SMDQOZIFZQUWJU-INIZCTEOSA-N 0 3 320.417 4.470 20 30 DIEDHN N#CC(C(=O)c1cccc2c1CCCC2)c1nc(C2CC2)cs1 ZINC000647380237 1040388765 /nfs/dbraw/zinc/38/87/65/1040388765.db2.gz WAZFAMQDKWZKNG-INIZCTEOSA-N 0 3 322.433 4.389 20 30 DIEDHN N#CC(C(=O)CCCc1ccc(C2CC2)cc1)c1ccccn1 ZINC000892483850 1040555553 /nfs/dbraw/zinc/55/55/53/1040555553.db2.gz WATSYZAJQNYHEH-SFHVURJKSA-N 0 3 304.393 4.158 20 30 DIEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000612585259 1040646247 /nfs/dbraw/zinc/64/62/47/1040646247.db2.gz UAWSUOPIJWLAGU-HUUCEWRRSA-N 0 3 310.363 4.481 20 30 DIEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000612585255 1040646646 /nfs/dbraw/zinc/64/66/46/1040646646.db2.gz UAWSUOPIJWLAGU-CABCVRRESA-N 0 3 310.363 4.481 20 30 DIEDHN COc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000613255232 1040844879 /nfs/dbraw/zinc/84/48/79/1040844879.db2.gz KNMPNKASWUNUQA-NBHGPNQESA-N 0 3 320.436 4.457 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(Br)cc1F ZINC000414162507 1040941210 /nfs/dbraw/zinc/94/12/10/1040941210.db2.gz HGEUQQLAAYUFSY-JTQLQIEISA-N 0 3 313.214 4.179 20 30 DIEDHN C[C@H](NCC(C)(C)CC#N)c1ccccc1OC(F)(F)F ZINC000414160718 1040944188 /nfs/dbraw/zinc/94/41/88/1040944188.db2.gz DKMJTZZOYNEMPU-NSHDSACASA-N 0 3 300.324 4.176 20 30 DIEDHN C#CCN1CCC(C(=O)Nc2cccc(C3CCCCC3)c2)CC1 ZINC001131545278 1041072177 /nfs/dbraw/zinc/07/21/77/1041072177.db2.gz GAYGGUCALKDLAV-UHFFFAOYSA-N 0 3 324.468 4.018 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC3CCCCC3)nc2)cc1 ZINC000809612558 1041194116 /nfs/dbraw/zinc/19/41/16/1041194116.db2.gz QSLADCXXDMBCHK-UHFFFAOYSA-N 0 3 320.436 4.064 20 30 DIEDHN C/C=C/COc1ccc(CC[C@H](C)NCC(C)(C)C#N)cc1 ZINC000613540396 1041235046 /nfs/dbraw/zinc/23/50/46/1041235046.db2.gz UQBCBCWJXVZTHZ-JFDDCEBESA-N 0 3 300.446 4.102 20 30 DIEDHN C#CCCOc1ccc(CN(CC)[C@H](C)c2cccnc2)cc1 ZINC000809766111 1041249421 /nfs/dbraw/zinc/24/94/21/1041249421.db2.gz VCRPONVEYDXRPK-QGZVFWFLSA-N 0 3 308.425 4.067 20 30 DIEDHN CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794859 1041266242 /nfs/dbraw/zinc/26/62/42/1041266242.db2.gz NNBWDVKJNVAKOI-ZFWWWQNUSA-N 0 3 304.434 4.073 20 30 DIEDHN Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)s1 ZINC000810536822 1041404885 /nfs/dbraw/zinc/40/48/85/1041404885.db2.gz UOBAUVADVKRAAP-CYBMUJFWSA-N 0 3 310.378 4.007 20 30 DIEDHN COc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000613667781 1041420690 /nfs/dbraw/zinc/42/06/90/1041420690.db2.gz REUWRNNBOGUGEX-ZAAXVRCTSA-N 0 3 306.409 4.066 20 30 DIEDHN C[C@H](NCc1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000053147937 1041442985 /nfs/dbraw/zinc/44/29/85/1041442985.db2.gz RFBMMNVGMANVKV-ZDUSSCGKSA-N 0 3 300.789 4.093 20 30 DIEDHN CC(C)c1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728711520 1041473580 /nfs/dbraw/zinc/47/35/80/1041473580.db2.gz CFXDNGZXNSMIFS-INIZCTEOSA-N 0 3 308.425 4.391 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000728712128 1041476639 /nfs/dbraw/zinc/47/66/39/1041476639.db2.gz VBSDQQFTTFMJNX-AUUYWEPGSA-N 0 3 324.449 4.055 20 30 DIEDHN CC[C@H](N[C@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799258 1041583292 /nfs/dbraw/zinc/58/32/92/1041583292.db2.gz WVIPPAOJCMFRAV-OALUTQOASA-N 0 3 322.456 4.454 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000747815391 1041647850 /nfs/dbraw/zinc/64/78/50/1041647850.db2.gz GNNZLOFUPPDOFZ-FOIQADDNSA-N 0 3 324.399 4.284 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2ccc(O)cc21 ZINC000417367746 1041665512 /nfs/dbraw/zinc/66/55/12/1041665512.db2.gz PGMAQQJGXANJCH-NHCUHLMSSA-N 0 3 318.420 4.308 20 30 DIEDHN N#CC(C(=O)CCCC1CC1)C(=O)Nc1cccc2ccccc21 ZINC000813059655 1041669479 /nfs/dbraw/zinc/66/94/79/1041669479.db2.gz DWHYPHYJJZSEPG-KRWDZBQOSA-N 0 3 320.392 4.067 20 30 DIEDHN N#CC(C(=O)C1=CCCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813216908 1041681791 /nfs/dbraw/zinc/68/17/91/1041681791.db2.gz HSLJWLUISMRLNH-CYBMUJFWSA-N 0 3 308.303 4.167 20 30 DIEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1c([O-])ccc2ccccc21 ZINC000025477614 1041750957 /nfs/dbraw/zinc/75/09/57/1041750957.db2.gz HNIZINVWSMVIKZ-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1c([O-])ccc2ccccc21 ZINC000025477614 1041750963 /nfs/dbraw/zinc/75/09/63/1041750963.db2.gz HNIZINVWSMVIKZ-UHFFFAOYSA-N 0 3 302.377 4.049 20 30 DIEDHN CCOc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000814304778 1041808830 /nfs/dbraw/zinc/80/88/30/1041808830.db2.gz QYZMAZSCDAGDOQ-LJQANCHMSA-N 0 3 324.424 4.316 20 30 DIEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2ccsc2)no1 ZINC000661119709 1041890395 /nfs/dbraw/zinc/89/03/95/1041890395.db2.gz WKOZHTXPZIQTRP-JSGCOSHPSA-N 0 3 303.431 4.023 20 30 DIEDHN CCSc1cc(CN[C@H](CC)c2ccc(C#N)cc2)ccn1 ZINC000278846264 1041951521 /nfs/dbraw/zinc/95/15/21/1041951521.db2.gz VFVHPYHUXGSMFJ-QGZVFWFLSA-N 0 3 311.454 4.306 20 30 DIEDHN C=CC[C@H](N[C@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580819 1041966445 /nfs/dbraw/zinc/96/64/45/1041966445.db2.gz RKHSQTXQLRTYSV-MOPGFXCFSA-N 0 3 324.424 4.226 20 30 DIEDHN C#CCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815595798 1041970153 /nfs/dbraw/zinc/97/01/53/1041970153.db2.gz BRQHCXNJOZUJKR-HXUWFJFHSA-N 0 3 307.437 4.459 20 30 DIEDHN C#CC[C@H](N[C@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599559 1041970530 /nfs/dbraw/zinc/97/05/30/1041970530.db2.gz VZYZRRMGLBEEKX-UXHICEINSA-N 0 3 321.420 4.279 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(C)(F)F ZINC000815912423 1042001069 /nfs/dbraw/zinc/00/10/69/1042001069.db2.gz LQYKQUNEWNWZNI-ZYHUDNBSSA-N 0 3 320.364 4.278 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662081789 1042058119 /nfs/dbraw/zinc/05/81/19/1042058119.db2.gz SAOBSYSKEZYGRC-KURKYZTESA-N 0 3 312.457 4.122 20 30 DIEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662086310 1042059762 /nfs/dbraw/zinc/05/97/62/1042059762.db2.gz QTJLPVGZHZWZGP-CWRNSKLLSA-N 0 3 318.848 4.158 20 30 DIEDHN COc1ccc2c(c1)C1(CC1)CN(CCCCC1(C#N)CCC1)C2 ZINC001170835215 1042073906 /nfs/dbraw/zinc/07/39/06/1042073906.db2.gz JKZJJBYDAWFACK-UHFFFAOYSA-N 0 3 324.468 4.407 20 30 DIEDHN N#CCCN(C1CCCC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935111 1042192578 /nfs/dbraw/zinc/19/25/78/1042192578.db2.gz GXXPLOPMLSBZAA-INIZCTEOSA-N 0 3 302.849 4.356 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000823616880 1042335209 /nfs/dbraw/zinc/33/52/09/1042335209.db2.gz COIWQCWINXRXTI-RDTXWAMCSA-N 0 3 320.392 4.031 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000614168640 1042419607 /nfs/dbraw/zinc/41/96/07/1042419607.db2.gz NHPYFMYHPJMEMT-UHFFFAOYSA-N 0 3 310.363 4.262 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCCc3sccc3C2)cc1 ZINC000614167264 1042419674 /nfs/dbraw/zinc/41/96/74/1042419674.db2.gz FHBNSRKTFVXHKT-UHFFFAOYSA-N 0 3 310.466 4.498 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614180036 1042422690 /nfs/dbraw/zinc/42/26/90/1042422690.db2.gz UCWWHGYJZCPFIL-HNNXBMFYSA-N 0 3 308.425 4.347 20 30 DIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000614397334 1042490157 /nfs/dbraw/zinc/49/01/57/1042490157.db2.gz LVVGYPYRIMJSHL-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN Cc1cc(C#N)ccc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000614397710 1042491070 /nfs/dbraw/zinc/49/10/70/1042491070.db2.gz UBNDOCFQXJKEJP-NRFANRHFSA-N 0 3 320.436 4.048 20 30 DIEDHN C=CCC[C@H](NCCOc1ccc(F)cc1F)c1ccco1 ZINC000513678097 1042558555 /nfs/dbraw/zinc/55/85/55/1042558555.db2.gz IADITSGKCAACFP-HNNXBMFYSA-N 0 3 307.340 4.234 20 30 DIEDHN C=CCC[C@@H](NCCOc1ccc(F)cc1F)c1ccco1 ZINC000513678098 1042558675 /nfs/dbraw/zinc/55/86/75/1042558675.db2.gz IADITSGKCAACFP-OAHLLOKOSA-N 0 3 307.340 4.234 20 30 DIEDHN N#CCc1ccc(CN[C@H](CC(F)F)c2ccccc2)cc1 ZINC000420999488 1042621076 /nfs/dbraw/zinc/62/10/76/1042621076.db2.gz VACOEHCELJDILJ-QGZVFWFLSA-N 0 3 300.352 4.239 20 30 DIEDHN C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442995 1042712413 /nfs/dbraw/zinc/71/24/13/1042712413.db2.gz PYIMQAIMVDTPHZ-UGSOOPFHSA-N 0 3 321.424 4.093 20 30 DIEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Br ZINC000424334031 1042734427 /nfs/dbraw/zinc/73/44/27/1042734427.db2.gz VFVJXIGRJMQTGV-ZOWXZIJZSA-N 0 3 307.235 4.182 20 30 DIEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513969872 1042765841 /nfs/dbraw/zinc/76/58/41/1042765841.db2.gz FPNWROPYCINTQG-GOSISDBHSA-N 0 3 314.816 4.031 20 30 DIEDHN Cc1ccccc1C[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000514184309 1042771574 /nfs/dbraw/zinc/77/15/74/1042771574.db2.gz SNPXZZTWMAFLBY-HXUWFJFHSA-N 0 3 308.400 4.213 20 30 DIEDHN Cc1cc(S[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)cn1 ZINC000425276164 1042786955 /nfs/dbraw/zinc/78/69/55/1042786955.db2.gz DBCXKACALUONLN-GOSISDBHSA-N 0 3 323.465 4.018 20 30 DIEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000425366206 1042798716 /nfs/dbraw/zinc/79/87/16/1042798716.db2.gz ORSVMMBIXZFZCY-HNNXBMFYSA-N 0 3 324.424 4.077 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515511858 1042823523 /nfs/dbraw/zinc/82/35/23/1042823523.db2.gz XZKCSQLMKBDVDU-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN CC(C)(C#N)c1ccccc1CN1CCC=C(c2ccccn2)C1 ZINC000517667321 1042892268 /nfs/dbraw/zinc/89/22/68/1042892268.db2.gz AXBMUKSKZXLRIW-UHFFFAOYSA-N 0 3 317.436 4.172 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1cc(-c2ccncc2)ccc1OC ZINC000426553701 1042937350 /nfs/dbraw/zinc/93/73/50/1042937350.db2.gz DXWDFCPMOKWGDM-LJQANCHMSA-N 0 3 308.425 4.298 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(-c2ccncc2)c1 ZINC000151398905 1043021417 /nfs/dbraw/zinc/02/14/17/1043021417.db2.gz ZVFHNLVZWARCOI-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(CCOc2ccccc2C#N)C1 ZINC000441320847 1043035269 /nfs/dbraw/zinc/03/52/69/1043035269.db2.gz DATMMZVDALCQTI-KXBFYZLASA-N 0 3 324.399 4.159 20 30 DIEDHN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000174039576 1043058862 /nfs/dbraw/zinc/05/88/62/1043058862.db2.gz VRGKVVPFWCMINB-ZDUSSCGKSA-N 0 3 316.351 4.053 20 30 DIEDHN CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1[O-] ZINC000794826989 1043066254 /nfs/dbraw/zinc/06/62/54/1043066254.db2.gz GOVRFSGQBYDHDC-RBUKOAKNSA-N 0 3 306.409 4.301 20 30 DIEDHN C[C@@H](NCc1ccccc1N1CCCCC1)c1cccc(C#N)c1 ZINC000174429573 1043066839 /nfs/dbraw/zinc/06/68/39/1043066839.db2.gz CCYKOBNWRRTRCM-QGZVFWFLSA-N 0 3 319.452 4.399 20 30 DIEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cc2cnccc2o1 ZINC000865853446 1043142143 /nfs/dbraw/zinc/14/21/43/1043142143.db2.gz HTQFIZMVHTVCLV-CQSZACIVSA-N 0 3 319.408 4.480 20 30 DIEDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800421 1043143942 /nfs/dbraw/zinc/14/39/42/1043143942.db2.gz AELFXOFUVNFIOC-HUUCEWRRSA-N 0 3 312.388 4.448 20 30 DIEDHN Cc1cc(F)cc(CN2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001143586018 1043196356 /nfs/dbraw/zinc/19/63/56/1043196356.db2.gz IZFRLDVCYRSYRV-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000186437692 1043225617 /nfs/dbraw/zinc/22/56/17/1043225617.db2.gz UKWOLZFDCOEFAZ-CQSZACIVSA-N 0 3 310.344 4.055 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCc2ccccc2)CC1 ZINC000186575339 1043229608 /nfs/dbraw/zinc/22/96/08/1043229608.db2.gz HNEWPNBCIMBRBO-KRWDZBQOSA-N 0 3 320.436 4.300 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCc2ccccc2)CC1 ZINC000186575358 1043229758 /nfs/dbraw/zinc/22/97/58/1043229758.db2.gz HNEWPNBCIMBRBO-QGZVFWFLSA-N 0 3 320.436 4.300 20 30 DIEDHN CCSc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000614638151 1043250962 /nfs/dbraw/zinc/25/09/62/1043250962.db2.gz CPKOJAPWRKUQSX-GOSISDBHSA-N 0 3 323.465 4.232 20 30 DIEDHN Cc1cccc(Oc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccn2)c1C ZINC000442779330 1043416037 /nfs/dbraw/zinc/41/60/37/1043416037.db2.gz MAFVGHPESQZGMX-AEFFLSMTSA-N 0 3 321.424 4.273 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431637 1043416441 /nfs/dbraw/zinc/41/64/41/1043416441.db2.gz DFQYMKIWKXQNHI-QAPCUYQASA-N 0 3 309.409 4.119 20 30 DIEDHN C#CC[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431639 1043416488 /nfs/dbraw/zinc/41/64/88/1043416488.db2.gz DFQYMKIWKXQNHI-YJBOKZPZSA-N 0 3 309.409 4.119 20 30 DIEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000442808835 1043428917 /nfs/dbraw/zinc/42/89/17/1043428917.db2.gz IRZVSKUIKOLIQD-AWEZNQCLSA-N 0 3 312.388 4.289 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594995 1043441261 /nfs/dbraw/zinc/44/12/61/1043441261.db2.gz YUJHVKGVTYGVCX-OXQOHEQNSA-N 0 3 323.436 4.257 20 30 DIEDHN C=CCC[C@H](C)NCc1nc(COC)sc1-c1ccccc1 ZINC000442855532 1043443929 /nfs/dbraw/zinc/44/39/29/1043443929.db2.gz MQWXZAQUKWHCBH-AWEZNQCLSA-N 0 3 316.470 4.401 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000442889687 1043450628 /nfs/dbraw/zinc/45/06/28/1043450628.db2.gz FVFWWEKTVWSBHW-IIBYNOLFSA-N 0 3 318.420 4.141 20 30 DIEDHN N#Cc1ccc(F)c(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000522069972 1043530802 /nfs/dbraw/zinc/53/08/02/1043530802.db2.gz XRYRSMFOBXWXGC-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926343610 1043565153 /nfs/dbraw/zinc/56/51/53/1043565153.db2.gz PYIMXGOPQINGAF-GIVPXCGWSA-N 0 3 322.452 4.050 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599400 1043605629 /nfs/dbraw/zinc/60/56/29/1043605629.db2.gz FYDBHFQTWKKLMK-VLIAUNLRSA-N 0 3 320.440 4.208 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603076 1043606368 /nfs/dbraw/zinc/60/63/68/1043606368.db2.gz SJYJCZCAFBVGOJ-AUUYWEPGSA-N 0 3 320.440 4.208 20 30 DIEDHN CO[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000558853032 1043618868 /nfs/dbraw/zinc/61/88/68/1043618868.db2.gz OWNHBPBETGHZEH-NRFANRHFSA-N 0 3 318.420 4.035 20 30 DIEDHN Cc1nn(C(C)C)cc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353915290 1043656664 /nfs/dbraw/zinc/65/66/64/1043656664.db2.gz NDFXCGSPOJEDJK-LJQANCHMSA-N 0 3 310.445 4.297 20 30 DIEDHN CC(C)(C)n1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353916210 1043657123 /nfs/dbraw/zinc/65/71/23/1043657123.db2.gz OXPLMJKUCIRIKO-SFHVURJKSA-N 0 3 310.445 4.163 20 30 DIEDHN CCN(C)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353915920 1043657350 /nfs/dbraw/zinc/65/73/50/1043657350.db2.gz ONWAVMCPPWWSSB-IBGZPJMESA-N 0 3 322.456 4.062 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877622429 1043782217 /nfs/dbraw/zinc/78/22/17/1043782217.db2.gz NIFLMTNBHYJVCU-LLVKDONJSA-N 0 3 305.834 4.075 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929757573 1043839694 /nfs/dbraw/zinc/83/96/94/1043839694.db2.gz TVMNJVBKGILUCD-TZJYRCSTSA-N 0 3 307.441 4.088 20 30 DIEDHN Cc1cccnc1[C@@H](NCc1c(C)cc(C#N)cc1C)C(C)C ZINC000929982271 1043862073 /nfs/dbraw/zinc/86/20/73/1043862073.db2.gz SGYQUSRZZWTOSN-IBGZPJMESA-N 0 3 307.441 4.365 20 30 DIEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238402 1043903909 /nfs/dbraw/zinc/90/39/09/1043903909.db2.gz NZPXFDJGCPODDW-UUWFMWQGSA-N 0 3 311.816 4.094 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1Cc2ccccc21 ZINC000561349739 1043934781 /nfs/dbraw/zinc/93/47/81/1043934781.db2.gz XJAAUCCTMCZGIE-NRSPTQNISA-N 0 3 302.421 4.098 20 30 DIEDHN N#Cc1ccc(C2(NCc3cc(Cl)cc(C#N)c3)CCC2)cc1 ZINC000930888021 1043972898 /nfs/dbraw/zinc/97/28/98/1043972898.db2.gz SPENEMRDHQFMJE-UHFFFAOYSA-N 0 3 321.811 4.252 20 30 DIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880103687 1044014761 /nfs/dbraw/zinc/01/47/61/1044014761.db2.gz XRSOWJOHQRLXIS-LBPRGKRZSA-N 0 3 319.330 4.017 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](NC1(c3cccc(Cl)c3)CC1)CC2 ZINC000562099447 1044064743 /nfs/dbraw/zinc/06/47/43/1044064743.db2.gz FKRTXSMYOAYCMZ-SFHVURJKSA-N 0 3 308.812 4.478 20 30 DIEDHN C[C@H](NCc1ccc2ncccc2c1)c1ccc(C#N)c(F)c1 ZINC000359024202 1044122544 /nfs/dbraw/zinc/12/25/44/1044122544.db2.gz AVZOBLFUHGQKSS-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000281394377 1044127610 /nfs/dbraw/zinc/12/76/10/1044127610.db2.gz YHIXHYLBWWWLCX-KZULUSFZSA-N 0 3 310.372 4.044 20 30 DIEDHN COCCN(CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000346778400 1044141260 /nfs/dbraw/zinc/14/12/60/1044141260.db2.gz INCRNXMWNZNUBW-ZDUSSCGKSA-N 0 3 314.351 4.019 20 30 DIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccccc2)ccc1OC ZINC000129505119 1044159038 /nfs/dbraw/zinc/15/90/38/1044159038.db2.gz WBNLWDVNGGUDSB-CRAIPNDOSA-N 0 3 324.424 4.227 20 30 DIEDHN C=CCC1(NCc2nc(C)c(Br)s2)CCCC1 ZINC000719258990 1044219088 /nfs/dbraw/zinc/21/90/88/1044219088.db2.gz NWPFWFLOMQBDOF-UHFFFAOYSA-N 0 3 315.280 4.193 20 30 DIEDHN CC(C)(CCC#N)CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000348225534 1044226976 /nfs/dbraw/zinc/22/69/76/1044226976.db2.gz AWRYXMBJIHBQQV-GOSISDBHSA-N 0 3 311.404 4.230 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273495 1044266268 /nfs/dbraw/zinc/26/62/68/1044266268.db2.gz CKFAPEAZFAKZLJ-KUHUBIRLSA-N 0 3 322.408 4.147 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000934695328 1044270772 /nfs/dbraw/zinc/27/07/72/1044270772.db2.gz AQIZVOIOFUBHQY-LJQANCHMSA-N 0 3 305.425 4.124 20 30 DIEDHN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186293110 1044341040 /nfs/dbraw/zinc/34/10/40/1044341040.db2.gz XWMQSWSKSAIQRW-QGZVFWFLSA-N 0 3 311.454 4.141 20 30 DIEDHN CCCCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000935623679 1044352974 /nfs/dbraw/zinc/35/29/74/1044352974.db2.gz GEUDWVDSDICFJF-LJQANCHMSA-N 0 3 316.489 4.128 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1N1CCCC1 ZINC000186376340 1044404138 /nfs/dbraw/zinc/40/41/38/1044404138.db2.gz OWRNEAVYOGDWJC-KRWDZBQOSA-N 0 3 319.452 4.351 20 30 DIEDHN CC(C)OCc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000565626436 1044448155 /nfs/dbraw/zinc/44/81/55/1044448155.db2.gz NMZODNMSWZQELT-OAQYLSRUSA-N 0 3 320.436 4.260 20 30 DIEDHN Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745951 1044454265 /nfs/dbraw/zinc/45/42/65/1044454265.db2.gz PXGCSGSUBNNGDS-SCLBCKFNSA-N 0 3 321.380 4.113 20 30 DIEDHN Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000566219325 1044478269 /nfs/dbraw/zinc/47/82/69/1044478269.db2.gz DTYPQIZKMAYOGI-FQEVSTJZSA-N 0 3 320.436 4.373 20 30 DIEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000041548247 1044503599 /nfs/dbraw/zinc/50/35/99/1044503599.db2.gz SDTLSVPVLUTDKK-HIFRSBDPSA-N 0 3 304.349 4.198 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000186608726 1044511153 /nfs/dbraw/zinc/51/11/53/1044511153.db2.gz RKDWOXKMDMYYBP-OAHLLOKOSA-N 0 3 304.393 4.114 20 30 DIEDHN CC(C)(C#N)CCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000444658420 1044589196 /nfs/dbraw/zinc/58/91/96/1044589196.db2.gz FYMFULPPDDWYRR-UHFFFAOYSA-N 0 3 315.417 4.279 20 30 DIEDHN CCc1ccc(CNCc2ccc(SC)c(C#N)c2)s1 ZINC000886278734 1044630050 /nfs/dbraw/zinc/63/00/50/1044630050.db2.gz HWLLYPDUOGEUON-UHFFFAOYSA-N 0 3 302.468 4.194 20 30 DIEDHN C=CCN(CC=C)CCCC(=O)c1ccc(Br)cc1 ZINC000568542902 1044632185 /nfs/dbraw/zinc/63/21/85/1044632185.db2.gz APYQAIPZEAQYKT-UHFFFAOYSA-N 0 3 322.246 4.086 20 30 DIEDHN C=CCSCCNCc1cccc(Cl)c1Br ZINC000719479431 1044634497 /nfs/dbraw/zinc/63/44/97/1044634497.db2.gz ZTJNDKVLYTYLFF-UHFFFAOYSA-N 0 3 320.683 4.111 20 30 DIEDHN C[C@@H](NCCc1ccc(F)cc1F)c1ccc(C#N)cc1Cl ZINC000568830165 1044654521 /nfs/dbraw/zinc/65/45/21/1044654521.db2.gz WERRPJFNGQZFTQ-LLVKDONJSA-N 0 3 320.770 4.383 20 30 DIEDHN CC(C)(C#N)CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000364934591 1044680768 /nfs/dbraw/zinc/68/07/68/1044680768.db2.gz RCVLISLMMYIEHG-UHFFFAOYSA-N 0 3 306.837 4.123 20 30 DIEDHN CSc1ccc(CN[C@@H](C)c2ccc(C)nc2C)cc1C#N ZINC000886688447 1044681795 /nfs/dbraw/zinc/68/17/95/1044681795.db2.gz RTRCFJFOWDCGND-ZDUSSCGKSA-N 0 3 311.454 4.143 20 30 DIEDHN COc1cc(CNCc2ccc3sccc3c2)ccc1C#N ZINC000569277271 1044690784 /nfs/dbraw/zinc/69/07/84/1044690784.db2.gz QRCOLOSQDHHVHC-UHFFFAOYSA-N 0 3 308.406 4.071 20 30 DIEDHN CC[C@H](C)[C@H](C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717315 1044691553 /nfs/dbraw/zinc/69/15/53/1044691553.db2.gz ZMXUGMOQZABCNH-KBPBESRZSA-N 0 3 324.428 4.007 20 30 DIEDHN CC[C@@H](N[C@@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740777 1044700176 /nfs/dbraw/zinc/70/01/76/1044700176.db2.gz XULLJDODTPCMFA-RTBURBONSA-N 0 3 322.408 4.131 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000569698358 1044706245 /nfs/dbraw/zinc/70/62/45/1044706245.db2.gz MTUNQUBHMKBXAD-KYJSFNMBSA-N 0 3 315.848 4.399 20 30 DIEDHN Cc1ccccc1[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000367064580 1044730075 /nfs/dbraw/zinc/73/00/75/1044730075.db2.gz DRIHKDWBSKXRTG-KRWDZBQOSA-N 0 3 305.425 4.008 20 30 DIEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471122 1044761506 /nfs/dbraw/zinc/76/15/06/1044761506.db2.gz JYFBHIZSWUJGQV-HIFRSBDPSA-N 0 3 308.347 4.235 20 30 DIEDHN CCc1ccc([C@@H](CC)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000572209392 1044848813 /nfs/dbraw/zinc/84/88/13/1044848813.db2.gz ZEPYRADHINQHRQ-LJQANCHMSA-N 0 3 308.425 4.370 20 30 DIEDHN C=CCCCCN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000574485689 1044954334 /nfs/dbraw/zinc/95/43/34/1044954334.db2.gz AMLPMGMWVSUILU-OAHLLOKOSA-N 0 3 313.445 4.292 20 30 DIEDHN C=C(CN[C@H](Cc1ccccn1)c1cccnc1)c1ccccc1 ZINC000338173497 1044982733 /nfs/dbraw/zinc/98/27/33/1044982733.db2.gz AXISUBOQLXYHJB-OAQYLSRUSA-N 0 3 315.420 4.063 20 30 DIEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000151391969 1045022389 /nfs/dbraw/zinc/02/23/89/1045022389.db2.gz HOBDVHOGKJQCMH-KRWDZBQOSA-N 0 3 316.351 4.401 20 30 DIEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1 ZINC000047376054 1045051551 /nfs/dbraw/zinc/05/15/51/1045051551.db2.gz DGESVPKPNIYRGG-INIZCTEOSA-N 0 3 323.355 4.273 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153720949 1045062430 /nfs/dbraw/zinc/06/24/30/1045062430.db2.gz YUKSZOKUGRQIRO-SCLBCKFNSA-N 0 3 309.369 4.268 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1OC ZINC000047771678 1045092856 /nfs/dbraw/zinc/09/28/56/1045092856.db2.gz ITNNBIDNWAVTGN-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530759 1045137014 /nfs/dbraw/zinc/13/70/14/1045137014.db2.gz NNRXFNRDIMXFCL-DYVFJYSZSA-N 0 3 308.381 4.089 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](N[C@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586757 1045152829 /nfs/dbraw/zinc/15/28/29/1045152829.db2.gz OPTGNJXEKPSQKP-YFVAEKQCSA-N 0 3 320.436 4.479 20 30 DIEDHN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(C#N)cs1 ZINC000577789152 1045170694 /nfs/dbraw/zinc/17/06/94/1045170694.db2.gz HZKYDQOWUMTIRG-SJORKVTESA-N 0 3 311.454 4.173 20 30 DIEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(Oc2ccccc2)c1 ZINC000924639020 1045184848 /nfs/dbraw/zinc/18/48/48/1045184848.db2.gz JFQWSGSGYFFSRB-HNNXBMFYSA-N 0 3 309.413 4.292 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276894 1045209826 /nfs/dbraw/zinc/20/98/26/1045209826.db2.gz QYEYBSNNBUPTKH-WSTZPKSXSA-N 0 3 305.425 4.037 20 30 DIEDHN COc1ccc2c(c1)CC[C@@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000601284096 1045210057 /nfs/dbraw/zinc/21/00/57/1045210057.db2.gz FSDCBKOBGNABPU-FQEVSTJZSA-N 0 3 318.420 4.223 20 30 DIEDHN Cc1ncc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299157 1045212679 /nfs/dbraw/zinc/21/26/79/1045212679.db2.gz JEMUUMBWBLVTNN-SJCJKPOMSA-N 0 3 311.454 4.442 20 30 DIEDHN C[C@H](NCCCCC#N)c1ncc(C(F)(F)F)cc1Cl ZINC000924941274 1045213049 /nfs/dbraw/zinc/21/30/49/1045213049.db2.gz FMPCZMKJGPSSOP-VIFPVBQESA-N 0 3 305.731 4.098 20 30 DIEDHN COc1ccc(C[C@@H]2CCCN(Cc3ccccc3C#N)C2)cc1 ZINC000579539367 1045322300 /nfs/dbraw/zinc/32/23/00/1045322300.db2.gz KGGMYSDEWXVEKR-SFHVURJKSA-N 0 3 320.436 4.022 20 30 DIEDHN CC1(C#N)CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000449065388 1045339453 /nfs/dbraw/zinc/33/94/53/1045339453.db2.gz UEJJJLTXZCRCKZ-SKINQDTJSA-N 0 3 305.425 4.233 20 30 DIEDHN C[C@H](NCc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000076397650 1045349387 /nfs/dbraw/zinc/34/93/87/1045349387.db2.gz BHTFPUFIMUHEMZ-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN C=CCOc1cccc(CN2CCC(OC(C)(C)C)CC2)c1 ZINC000119217154 1045410720 /nfs/dbraw/zinc/41/07/20/1045410720.db2.gz ZPBHWCTWARJYCL-UHFFFAOYSA-N 0 3 303.446 4.031 20 30 DIEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC(F)(F)CC1 ZINC000528928986 1045430864 /nfs/dbraw/zinc/43/08/64/1045430864.db2.gz QMAQSQJQTAFWBI-NSHDSACASA-N 0 3 318.323 4.220 20 30 DIEDHN C#CCCCCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001168115525 1045471933 /nfs/dbraw/zinc/47/19/33/1045471933.db2.gz SQWJZFBTCRFTSE-UHFFFAOYSA-N 0 3 318.436 4.058 20 30 DIEDHN N#CC(C(=O)c1cc2c(s1)CCCCC2)c1cccc(F)n1 ZINC001122714356 1045569403 /nfs/dbraw/zinc/56/94/03/1045569403.db2.gz KLIRQMJALCDREN-GFCCVEGCSA-N 0 3 314.385 4.041 20 30 DIEDHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000077941383 1045620965 /nfs/dbraw/zinc/62/09/65/1045620965.db2.gz CDFPIKJIBHJXAQ-ARFHVFGLSA-N 0 3 316.360 4.116 20 30 DIEDHN N#CC(C(=O)c1cccc2ccccc21)c1cnc2ccccc2n1 ZINC000190909956 1045630145 /nfs/dbraw/zinc/63/01/45/1045630145.db2.gz LKRKLUPXGKRMGA-KRWDZBQOSA-N 0 3 323.355 4.273 20 30 DIEDHN Cc1cc(O)c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000751932602 1045641777 /nfs/dbraw/zinc/64/17/77/1045641777.db2.gz PQFAKRXXSGQZIM-PMACEKPBSA-N 0 3 320.436 4.281 20 30 DIEDHN CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1[O-] ZINC000800989456 1045677668 /nfs/dbraw/zinc/67/76/68/1045677668.db2.gz DBQYIQUUSHSJNS-INIZCTEOSA-N 0 3 300.789 4.158 20 30 DIEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000191372922 1045686768 /nfs/dbraw/zinc/68/67/68/1045686768.db2.gz BRBSMQIKFGNXMP-LLVKDONJSA-N 0 3 306.818 4.003 20 30 DIEDHN CCCOc1ccc(C(C)(C)NCc2ccc(C#N)s2)cc1 ZINC000475671237 1045710543 /nfs/dbraw/zinc/71/05/43/1045710543.db2.gz LKQYWALALQODRX-UHFFFAOYSA-N 0 3 314.454 4.433 20 30 DIEDHN CCCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC000801596699 1045749147 /nfs/dbraw/zinc/74/91/47/1045749147.db2.gz LACIXVGSMBHTLW-UHFFFAOYSA-N 0 3 324.424 4.097 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC000801596699 1045749161 /nfs/dbraw/zinc/74/91/61/1045749161.db2.gz LACIXVGSMBHTLW-UHFFFAOYSA-N 0 3 324.424 4.097 20 30 DIEDHN CCCC[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC000801597092 1045753525 /nfs/dbraw/zinc/75/35/25/1045753525.db2.gz ARCGQOMVYNSDDW-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN CCCC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[O-] ZINC000801597092 1045753541 /nfs/dbraw/zinc/75/35/41/1045753541.db2.gz ARCGQOMVYNSDDW-UHFFFAOYSA-N 0 3 312.388 4.205 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](C)c1cc(C)c(OC)cc1C ZINC000753677873 1045788383 /nfs/dbraw/zinc/78/83/83/1045788383.db2.gz ALVYWLQZPAHWKY-QGZVFWFLSA-N 0 3 323.436 4.175 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1C ZINC000753688876 1045791076 /nfs/dbraw/zinc/79/10/76/1045791076.db2.gz WABUTXSZQYCWJT-OAHLLOKOSA-N 0 3 324.424 4.043 20 30 DIEDHN CC(C)=CCN(CCO[C@@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801953895 1045860518 /nfs/dbraw/zinc/86/05/18/1045860518.db2.gz YILJMUGBTRWJRK-HNNXBMFYSA-N 0 3 306.837 4.037 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1Br)[C@H](C)CC ZINC001137632829 1045913783 /nfs/dbraw/zinc/91/37/83/1045913783.db2.gz LSGACRGSDRWDMM-GFCCVEGCSA-N 0 3 309.251 4.331 20 30 DIEDHN CN(Cc1c[nH]c2ccc(Cl)cc12)Cc1cccc(C#N)c1 ZINC001137715799 1045943903 /nfs/dbraw/zinc/94/39/03/1045943903.db2.gz HBMZMFDGBYDXTB-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN C=CC[C@H](NCc1ccc2nc(C)sc2c1)c1ccncc1 ZINC000755195680 1045962045 /nfs/dbraw/zinc/96/20/45/1045962045.db2.gz OQFRVELYRRAPCH-INIZCTEOSA-N 0 3 309.438 4.407 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1cccc(-c2cncnc2)c1 ZINC001137770344 1045963082 /nfs/dbraw/zinc/96/30/82/1045963082.db2.gz HWPLPMGIXLSHJB-UHFFFAOYSA-N 0 3 315.420 4.332 20 30 DIEDHN CCCCCCC[C@H](CCC)OCCCN1CCN(C)CC1 ZINC001206597659 1045996845 /nfs/dbraw/zinc/99/68/45/1045996845.db2.gz ZTLJGMRZRQFFCT-IBGZPJMESA-N 0 3 312.542 4.170 20 30 DIEDHN CC(C)(C)C=Nn1cnnc1SCc1ccc(Cl)cc1 ZINC000755594603 1045998548 /nfs/dbraw/zinc/99/85/48/1045998548.db2.gz USODMJPAIKZEQN-UHFFFAOYSA-N 0 3 308.838 4.104 20 30 DIEDHN CCCC[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1[O-] ZINC000802657726 1046029384 /nfs/dbraw/zinc/02/93/84/1046029384.db2.gz PBBCZKFDMPMXHN-UHFFFAOYSA-N 0 3 300.427 4.128 20 30 DIEDHN CCCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1[O-] ZINC000802657726 1046029398 /nfs/dbraw/zinc/02/93/98/1046029398.db2.gz PBBCZKFDMPMXHN-UHFFFAOYSA-N 0 3 300.427 4.128 20 30 DIEDHN CCNc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000902600506 1046032158 /nfs/dbraw/zinc/03/21/58/1046032158.db2.gz FFYWQGQHNXFFQP-FQEVSTJZSA-N 0 3 305.425 4.157 20 30 DIEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000830167696 1046044187 /nfs/dbraw/zinc/04/41/87/1046044187.db2.gz WPEHVXPEMZOGHC-AWEZNQCLSA-N 0 3 323.396 4.247 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453345753 1046046743 /nfs/dbraw/zinc/04/67/43/1046046743.db2.gz KDIGWKIUXLKGIV-YSGRDPCXSA-N 0 3 324.424 4.258 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726421 1046051989 /nfs/dbraw/zinc/05/19/89/1046051989.db2.gz PCSHAVSAWKSVPS-KSSFIOAISA-N 0 3 322.408 4.131 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000453350673 1046052541 /nfs/dbraw/zinc/05/25/41/1046052541.db2.gz LWEQBQFTAKTQCY-UNEWFSDZSA-N 0 3 314.454 4.194 20 30 DIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000453381467 1046056626 /nfs/dbraw/zinc/05/66/26/1046056626.db2.gz LEXPEEKOLFRQJY-BLVKFPJESA-N 0 3 312.363 4.250 20 30 DIEDHN C[C@@H](NC1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000453364661 1046064744 /nfs/dbraw/zinc/06/47/44/1046064744.db2.gz SFJYLSLBQQNEQF-CYBMUJFWSA-N 0 3 312.363 4.262 20 30 DIEDHN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766687 1046068375 /nfs/dbraw/zinc/06/83/75/1046068375.db2.gz PRIRLBCXBVCSNT-LSDHHAIUSA-N 0 3 322.408 4.065 20 30 DIEDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(C#N)cc1 ZINC000756459742 1046084552 /nfs/dbraw/zinc/08/45/52/1046084552.db2.gz WXCCQPBXHISQBL-WQGACYEGSA-N 0 3 310.372 4.302 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000453590527 1046096841 /nfs/dbraw/zinc/09/68/41/1046096841.db2.gz OWPSQTLLGXMCNJ-LBPRGKRZSA-N 0 3 324.327 4.269 20 30 DIEDHN CCCCn1cc(CN[C@@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902893727 1046101630 /nfs/dbraw/zinc/10/16/30/1046101630.db2.gz CRUVCXHXQXTVKN-IBGZPJMESA-N 0 3 310.445 4.104 20 30 DIEDHN CC[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cccc(C#N)c1 ZINC000902919545 1046113663 /nfs/dbraw/zinc/11/36/63/1046113663.db2.gz MWFVQXIJDLQIID-KRWDZBQOSA-N 0 3 320.392 4.017 20 30 DIEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 ZINC000902919614 1046113731 /nfs/dbraw/zinc/11/37/31/1046113731.db2.gz OAZOLIMQSKIWLU-LJQANCHMSA-N 0 3 301.393 4.160 20 30 DIEDHN CC[C@H](N[C@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945860 1046120940 /nfs/dbraw/zinc/12/09/40/1046120940.db2.gz WLWMUPVQHBUPMP-RDJZCZTQSA-N 0 3 311.454 4.442 20 30 DIEDHN CC[C@@H](NCc1cc(COC)cs1)c1cccc(C#N)c1 ZINC000903051789 1046148409 /nfs/dbraw/zinc/14/84/09/1046148409.db2.gz XGLBXHXXIAQFKO-QGZVFWFLSA-N 0 3 300.427 4.007 20 30 DIEDHN Cc1csc(C(C#N)C(=O)CSc2ccc(C)cc2C)n1 ZINC000007832788 1046155295 /nfs/dbraw/zinc/15/52/95/1046155295.db2.gz ZLOHCDJLPRKSFQ-CYBMUJFWSA-N 0 3 316.451 4.037 20 30 DIEDHN CCc1cccc2c(CN(C)Cc3cccc(C#N)c3)c[nH]c21 ZINC001138363091 1046156568 /nfs/dbraw/zinc/15/65/68/1046156568.db2.gz FCJBKUQDXQVGHF-UHFFFAOYSA-N 0 3 303.409 4.234 20 30 DIEDHN C#CC[C@H](NCc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000756997045 1046157263 /nfs/dbraw/zinc/15/72/63/1046157263.db2.gz ULSWKGHWCSUNNB-SFHVURJKSA-N 0 3 315.363 4.185 20 30 DIEDHN CC(=O)OCc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000903078512 1046157298 /nfs/dbraw/zinc/15/72/98/1046157298.db2.gz ICFXXWWFVXBLII-CABCVRRESA-N 0 3 322.408 4.033 20 30 DIEDHN C#CC[C@H](NCc1cccc(OC(F)F)c1)c1ccccc1 ZINC000756997785 1046158289 /nfs/dbraw/zinc/15/82/89/1046158289.db2.gz NEXUNSXJBYJQML-KRWDZBQOSA-N 0 3 301.336 4.142 20 30 DIEDHN C#CC[C@H](NCc1ccc(OC)c(OCCC)c1)c1ccccc1 ZINC000756996991 1046158327 /nfs/dbraw/zinc/15/83/27/1046158327.db2.gz SWMTZKGGXSRYLM-IBGZPJMESA-N 0 3 323.436 4.338 20 30 DIEDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000903079609 1046158444 /nfs/dbraw/zinc/15/84/44/1046158444.db2.gz FYOPWNFMFYWBSB-KRWDZBQOSA-N 0 3 309.369 4.016 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097061 1046162634 /nfs/dbraw/zinc/16/26/34/1046162634.db2.gz BUQJMTMBUWGFTI-MGPUTAFESA-N 0 3 324.424 4.113 20 30 DIEDHN COc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1C#N ZINC000087823634 1046211867 /nfs/dbraw/zinc/21/18/67/1046211867.db2.gz OGBFYRLOHFHAIT-GFCCVEGCSA-N 0 3 300.427 4.096 20 30 DIEDHN COc1ccc(-c2cccc(CN3CCC(C#N)CC3)c2)cc1 ZINC001138613302 1046241244 /nfs/dbraw/zinc/24/12/44/1046241244.db2.gz DWSHXYMFRNRGSF-UHFFFAOYSA-N 0 3 306.409 4.098 20 30 DIEDHN C[C@H](c1cccs1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245540847 1046242262 /nfs/dbraw/zinc/24/22/62/1046242262.db2.gz NCIHMRMGPWLZEX-UONOGXRCSA-N 0 3 300.427 4.232 20 30 DIEDHN C=CCc1cccc(C[N@H+](CC)Cc2ccc(OC)cc2)c1[O-] ZINC001138629504 1046246162 /nfs/dbraw/zinc/24/61/62/1046246162.db2.gz BDMPAKWYWJRVPI-UHFFFAOYSA-N 0 3 311.425 4.151 20 30 DIEDHN C=CCc1cccc(C[N@@H+](CC)Cc2ccc(OC)cc2)c1[O-] ZINC001138629504 1046246173 /nfs/dbraw/zinc/24/61/73/1046246173.db2.gz BDMPAKWYWJRVPI-UHFFFAOYSA-N 0 3 311.425 4.151 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1[O-] ZINC001138629665 1046250856 /nfs/dbraw/zinc/25/08/56/1046250856.db2.gz DZNAXOXSNVPDRZ-GOSISDBHSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1[O-] ZINC001138629665 1046250869 /nfs/dbraw/zinc/25/08/69/1046250869.db2.gz DZNAXOXSNVPDRZ-GOSISDBHSA-N 0 3 323.436 4.119 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245714001 1046262587 /nfs/dbraw/zinc/26/25/87/1046262587.db2.gz GNNRQJIUXNJJEI-JXXFODFXSA-N 0 3 306.409 4.170 20 30 DIEDHN N#CC(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000245900308 1046282075 /nfs/dbraw/zinc/28/20/75/1046282075.db2.gz LDFYMXSIOSWAQQ-CAOSSQGBSA-N 0 3 321.424 4.346 20 30 DIEDHN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270201 1046362774 /nfs/dbraw/zinc/36/27/74/1046362774.db2.gz UTRYADUVXSSIMZ-YJYMSZOUSA-N 0 3 310.372 4.066 20 30 DIEDHN C=CCOc1ccccc1CN1CCC2(CCOC2(C)C)CC1 ZINC001139030743 1046365220 /nfs/dbraw/zinc/36/52/20/1046365220.db2.gz LTUGREKATMTZPL-UHFFFAOYSA-N 0 3 315.457 4.033 20 30 DIEDHN CCCN(CCC)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000780781030 1046405279 /nfs/dbraw/zinc/40/52/79/1046405279.db2.gz FYOQBCMGWPWVHR-UHFFFAOYSA-N 0 3 313.489 4.439 20 30 DIEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644598 1046434443 /nfs/dbraw/zinc/43/44/43/1046434443.db2.gz ZNRIGRFUAHGRKB-SKDRFNHKSA-N 0 3 302.727 4.141 20 30 DIEDHN CC[C@H]1CCCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427613 1046450149 /nfs/dbraw/zinc/45/01/49/1046450149.db2.gz MUCBGGVKHYBPQH-INIZCTEOSA-N 0 3 321.424 4.368 20 30 DIEDHN C=C(C)CN(CC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427679 1046450468 /nfs/dbraw/zinc/45/04/68/1046450468.db2.gz NKKZBIZSXXQZIS-UHFFFAOYSA-N 0 3 307.397 4.144 20 30 DIEDHN CCN(Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC001139529402 1046462731 /nfs/dbraw/zinc/46/27/31/1046462731.db2.gz QNIGIQPDFLGVOS-UHFFFAOYSA-N 0 3 302.780 4.373 20 30 DIEDHN N#CC(C(=O)CCc1ccc2ccccc2c1)c1ccccn1 ZINC000054452433 1046469774 /nfs/dbraw/zinc/46/97/74/1046469774.db2.gz QDTONDLCFIJVHK-GOSISDBHSA-N 0 3 300.361 4.044 20 30 DIEDHN N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826862101 1046479450 /nfs/dbraw/zinc/47/94/50/1046479450.db2.gz UPNDMGHNILOJOK-MRXNPFEDSA-N 0 3 306.409 4.185 20 30 DIEDHN N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826862101 1046479452 /nfs/dbraw/zinc/47/94/52/1046479452.db2.gz UPNDMGHNILOJOK-MRXNPFEDSA-N 0 3 306.409 4.185 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092261475 1046502123 /nfs/dbraw/zinc/50/21/23/1046502123.db2.gz PVCIDUYMTQLQAO-KRWDZBQOSA-N 0 3 306.409 4.166 20 30 DIEDHN C[C@H](c1ccco1)N(Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000092483941 1046521276 /nfs/dbraw/zinc/52/12/76/1046521276.db2.gz XSULVFWTJZMCPW-MRXNPFEDSA-N 0 3 323.440 4.355 20 30 DIEDHN CN(CCc1ccccc1Cl)Cc1cc(F)cc(C#N)c1 ZINC001139875170 1046539333 /nfs/dbraw/zinc/53/93/33/1046539333.db2.gz JFOWWRXTJJUEMV-UHFFFAOYSA-N 0 3 302.780 4.025 20 30 DIEDHN CCC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000729678723 1046575866 /nfs/dbraw/zinc/57/58/66/1046575866.db2.gz HTMQYBAOSWOKKN-IBGZPJMESA-N 0 3 322.456 4.062 20 30 DIEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(Cl)cc1 ZINC001140114384 1046590239 /nfs/dbraw/zinc/59/02/39/1046590239.db2.gz OOVDNXIJFFTNAF-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN C[C@@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140110951 1046592202 /nfs/dbraw/zinc/59/22/02/1046592202.db2.gz VMWNQWIUALHYOQ-CQSZACIVSA-N 0 3 301.393 4.159 20 30 DIEDHN C=CCN(Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1 ZINC001140116431 1046594433 /nfs/dbraw/zinc/59/44/33/1046594433.db2.gz YTLQPAAWPAAXID-UHFFFAOYSA-N 0 3 301.393 4.228 20 30 DIEDHN N#Cc1csc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000093319354 1046621916 /nfs/dbraw/zinc/62/19/16/1046621916.db2.gz MPHNSIWXPSQXPC-UHFFFAOYSA-N 0 3 312.438 4.270 20 30 DIEDHN N#Cc1csc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000093319354 1046621922 /nfs/dbraw/zinc/62/19/22/1046621922.db2.gz MPHNSIWXPSQXPC-UHFFFAOYSA-N 0 3 312.438 4.270 20 30 DIEDHN C=CCCN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533058903 1046646344 /nfs/dbraw/zinc/64/63/44/1046646344.db2.gz UCDMXTZESIAOBO-MRXNPFEDSA-N 0 3 301.821 4.443 20 30 DIEDHN N#CCCN(Cc1ccccc1-c1cccnc1)C1CCCC1 ZINC001140317079 1046651407 /nfs/dbraw/zinc/65/14/07/1046651407.db2.gz BPBBYLROHYCJST-UHFFFAOYSA-N 0 3 305.425 4.407 20 30 DIEDHN C=C(CC)CNC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000678610434 1046679192 /nfs/dbraw/zinc/67/91/92/1046679192.db2.gz FWOPGBZSYLBFNJ-UHFFFAOYSA-N 0 3 311.425 4.349 20 30 DIEDHN CN(Cc1ccc(-c2ccccn2)cc1)Cc1cccc(C#N)c1 ZINC001140382731 1046681205 /nfs/dbraw/zinc/68/12/05/1046681205.db2.gz ZEPPWSIUYJWWKC-UHFFFAOYSA-N 0 3 313.404 4.252 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(C(C)C)C(C)C ZINC000678714425 1046691829 /nfs/dbraw/zinc/69/18/29/1046691829.db2.gz XPMTUKPPTYHFFD-UHFFFAOYSA-N 0 3 306.475 4.022 20 30 DIEDHN C=C(C)COc1cc(CNc2cc(C)cc(C)n2)ccc1OC ZINC000533329315 1046697042 /nfs/dbraw/zinc/69/70/42/1046697042.db2.gz FUILCMQMWDCYOY-UHFFFAOYSA-N 0 3 312.413 4.274 20 30 DIEDHN C=CCc1cc(CN[C@H]2CCc3ccc(C)cc32)cc(OC)c1O ZINC000678932388 1046738010 /nfs/dbraw/zinc/73/80/10/1046738010.db2.gz UXOLWSVIAKRLQP-IBGZPJMESA-N 0 3 323.436 4.215 20 30 DIEDHN C=CCC[C@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820739 1046741411 /nfs/dbraw/zinc/74/14/11/1046741411.db2.gz VYSLPPNSJCHJKT-LSDHHAIUSA-N 0 3 323.795 4.403 20 30 DIEDHN C=CCC[C@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941587 1046760373 /nfs/dbraw/zinc/76/03/73/1046760373.db2.gz ODJSZZTWEHCNDN-FUHWJXTLSA-N 0 3 319.832 4.438 20 30 DIEDHN C=CCC[C@H](NC[C@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941589 1046760702 /nfs/dbraw/zinc/76/07/02/1046760702.db2.gz ODJSZZTWEHCNDN-WMZOPIPTSA-N 0 3 319.832 4.438 20 30 DIEDHN Cc1ccc(F)cc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001140592474 1046799766 /nfs/dbraw/zinc/79/97/66/1046799766.db2.gz NIENUCMGFKQMFJ-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN Cc1ccc(F)cc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001140594848 1046803393 /nfs/dbraw/zinc/80/33/93/1046803393.db2.gz RLOFGWXLOPLQQD-FQEVSTJZSA-N 0 3 324.399 4.049 20 30 DIEDHN C[C@@H]1[C@H](C(=O)C(C#N)c2nc3ccccc3o2)[C@H]1c1ccccc1 ZINC000797550595 1046844309 /nfs/dbraw/zinc/84/43/09/1046844309.db2.gz SOXOCGOBPSMPLD-KYABYICQSA-N 0 3 316.360 4.054 20 30 DIEDHN CCS[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797570135 1046851704 /nfs/dbraw/zinc/85/17/04/1046851704.db2.gz DDPNNNLVHMOHPO-FZMZJTMJSA-N 0 3 324.515 4.395 20 30 DIEDHN Cc1c(O)ccc(CN(CCC#N)C2CCCCCCC2)c1O ZINC001140745337 1046882155 /nfs/dbraw/zinc/88/21/55/1046882155.db2.gz GHQDGLZMFWFJFL-UHFFFAOYSA-N 0 3 316.445 4.235 20 30 DIEDHN C=C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237421096 1046898907 /nfs/dbraw/zinc/89/89/07/1046898907.db2.gz YDEIXSDFTXGZIN-SNVBAGLBSA-N 0 3 306.749 4.172 20 30 DIEDHN N#Cc1cccc(CN2CCCC3(CC(F)C3)CC2)c1Cl ZINC001140812978 1046913493 /nfs/dbraw/zinc/91/34/93/1046913493.db2.gz QSWFQRJRBMCTGA-UHFFFAOYSA-N 0 3 306.812 4.316 20 30 DIEDHN C=CCC[C@H](C)NCc1c(F)cc(Br)cc1F ZINC001258721550 1046957371 /nfs/dbraw/zinc/95/73/71/1046957371.db2.gz YYZRBEWTFDSBEF-VIFPVBQESA-N 0 3 304.178 4.172 20 30 DIEDHN Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@H](CC#N)C1 ZINC001140963719 1046964435 /nfs/dbraw/zinc/96/44/35/1046964435.db2.gz FLBPFNGAYXETAS-CYBMUJFWSA-N 0 3 312.335 4.019 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001137408536 1046976091 /nfs/dbraw/zinc/97/60/91/1046976091.db2.gz MITLKTSPHQYPHJ-IEBWSBKVSA-N 0 3 316.489 4.126 20 30 DIEDHN C=CCO[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3C)o2)C1 ZINC001116554684 1047157078 /nfs/dbraw/zinc/15/70/78/1047157078.db2.gz AZXWAJUIWZIHDL-INIZCTEOSA-N 0 3 315.388 4.171 20 30 DIEDHN CC(C)(C#N)CCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000537364334 1047176874 /nfs/dbraw/zinc/17/68/74/1047176874.db2.gz VMUSAQKBTZBSFN-UHFFFAOYSA-N 0 3 311.404 4.336 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000897628897 1047252488 /nfs/dbraw/zinc/25/24/88/1047252488.db2.gz OQLJREUTMNBUNY-HIFRSBDPSA-N 0 3 317.845 4.094 20 30 DIEDHN C(#Cc1ccccc1)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000683013655 1047258361 /nfs/dbraw/zinc/25/83/61/1047258361.db2.gz ICPSKIMNPVNHKJ-FQEVSTJZSA-N 0 3 314.432 4.399 20 30 DIEDHN C=CCOc1ccc(CNCc2cncc3ccccc32)cc1 ZINC000796443423 1047288202 /nfs/dbraw/zinc/28/82/02/1047288202.db2.gz UQNSHXHYJSHUMX-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN CSc1nc(CN2CCC[C@H](c3ccccc3)C2)ccc1C#N ZINC001141938939 1047312226 /nfs/dbraw/zinc/31/22/26/1047312226.db2.gz KDOMWOIPFBQPJX-KRWDZBQOSA-N 0 3 323.465 4.055 20 30 DIEDHN Cc1scc(CN[C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000399813267 1047329984 /nfs/dbraw/zinc/32/99/84/1047329984.db2.gz KZCQGTXNLFHPGA-CYBMUJFWSA-N 0 3 300.427 4.118 20 30 DIEDHN C=C(C)CNC(=S)Nc1ccc2c(c1)CN([C@H](C)CCC)C2 ZINC000726496430 1047363566 /nfs/dbraw/zinc/36/35/66/1047363566.db2.gz XHJPWJQZFHYNCC-CQSZACIVSA-N 0 3 317.502 4.053 20 30 DIEDHN N#Cc1ccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000192555559 1047383093 /nfs/dbraw/zinc/38/30/93/1047383093.db2.gz ZVSLQCUSRVTSGR-UHFFFAOYSA-N 0 3 313.404 4.329 20 30 DIEDHN C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1[O-] ZINC000841761855 1047454759 /nfs/dbraw/zinc/45/47/59/1047454759.db2.gz LWCYZJDDTLPMNV-KPZWWZAWSA-N 0 3 310.372 4.131 20 30 DIEDHN N#CCCCCN1CCC[C@H]1c1ccccc1Br ZINC000088559229 1047464216 /nfs/dbraw/zinc/46/42/16/1047464216.db2.gz CZOIFRWZGWGDFX-HNNXBMFYSA-N 0 3 307.235 4.280 20 30 DIEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000842293347 1047473826 /nfs/dbraw/zinc/47/38/26/1047473826.db2.gz ITTOAWSBDSZOKY-MDOVXXIYSA-N 0 3 316.360 4.198 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000119882986 1047476208 /nfs/dbraw/zinc/47/62/08/1047476208.db2.gz WHHSTCQUUYJGJR-CYBMUJFWSA-N 0 3 303.352 4.380 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000842744479 1047502181 /nfs/dbraw/zinc/50/21/81/1047502181.db2.gz WYAWCLVEUVOFMF-OAHLLOKOSA-N 0 3 324.399 4.286 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000842744478 1047502250 /nfs/dbraw/zinc/50/22/50/1047502250.db2.gz WYAWCLVEUVOFMF-HNNXBMFYSA-N 0 3 324.399 4.286 20 30 DIEDHN N#Cc1cccc(COc2cccc(CN3CCC34CCC4)c2)c1 ZINC000537634056 1047509348 /nfs/dbraw/zinc/50/93/48/1047509348.db2.gz WRWSSEBADBNPJL-UHFFFAOYSA-N 0 3 318.420 4.266 20 30 DIEDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1[O-] ZINC000842886661 1047511211 /nfs/dbraw/zinc/51/12/11/1047511211.db2.gz GIPVVWSATHWTHK-CYBMUJFWSA-N 0 3 314.816 4.271 20 30 DIEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000093445094 1047547876 /nfs/dbraw/zinc/54/78/76/1047547876.db2.gz GLOBNBQIMXCDDF-JXFKEZNVSA-N 0 3 321.424 4.018 20 30 DIEDHN CSc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000404590609 1047554134 /nfs/dbraw/zinc/55/41/34/1047554134.db2.gz QZAZLTABCHWIHG-LBPRGKRZSA-N 0 3 300.402 4.270 20 30 DIEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc2cc[nH]c21 ZINC000538728225 1047702643 /nfs/dbraw/zinc/70/26/43/1047702643.db2.gz GHVFFOPLEYKSGH-PMACEKPBSA-N 0 3 315.420 4.440 20 30 DIEDHN Cc1cnccc1Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001174538555 1047864577 /nfs/dbraw/zinc/86/45/77/1047864577.db2.gz KBBKGHWDVDDKLP-UHFFFAOYSA-N 0 3 301.349 4.220 20 30 DIEDHN C=CC[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001183066184 1047890941 /nfs/dbraw/zinc/89/09/41/1047890941.db2.gz VLAZDETYPDURSV-ZDUSSCGKSA-N 0 3 302.418 4.347 20 30 DIEDHN N#Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1F ZINC001183155343 1047894233 /nfs/dbraw/zinc/89/42/33/1047894233.db2.gz FDSJBZQQKVMIBS-QGZVFWFLSA-N 0 3 300.764 4.128 20 30 DIEDHN C#CCC1(NCc2cc(F)c(C(F)(F)F)cc2F)CCC1 ZINC001198033694 1047922439 /nfs/dbraw/zinc/92/24/39/1047922439.db2.gz LRIMXHYBWIRQCN-UHFFFAOYSA-N 0 3 303.274 4.019 20 30 DIEDHN C#CCN(Cc1cccc(N(C)C)c1)[C@@H]1CCCc2ccccc21 ZINC001198103886 1047927557 /nfs/dbraw/zinc/92/75/57/1047927557.db2.gz KVBHOCMWPYKWBR-JOCHJYFZSA-N 0 3 318.464 4.265 20 30 DIEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835001 1047941052 /nfs/dbraw/zinc/94/10/52/1047941052.db2.gz XVOPLRHPMIHKHL-OAHLLOKOSA-N 0 3 312.844 4.108 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNCCCC(C)(C)C=C ZINC001203571882 1047944308 /nfs/dbraw/zinc/94/43/08/1047944308.db2.gz LGJZVBCHFDHYPX-UHFFFAOYSA-N 0 3 305.849 4.434 20 30 DIEDHN CN(C)c1ccc(C2CCN(Cc3ccccc3C#N)CC2)cc1 ZINC000775883021 1047988350 /nfs/dbraw/zinc/98/83/50/1047988350.db2.gz PMNNYFVSVJDJMP-UHFFFAOYSA-N 0 3 319.452 4.004 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000775913326 1048011090 /nfs/dbraw/zinc/01/10/90/1048011090.db2.gz KKCMYPHGIODFKD-LBPRGKRZSA-N 0 3 300.789 4.077 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C(F)(F)F)cc1 ZINC001199060009 1048032764 /nfs/dbraw/zinc/03/27/64/1048032764.db2.gz NBYDOFPQCFJCRC-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN CCN(CC)Cc1cccc(N[C@@H](C#N)c2ccccc2)c1F ZINC001161726174 1048161469 /nfs/dbraw/zinc/16/14/69/1048161469.db2.gz WFADBGDVHXQHJB-SFHVURJKSA-N 0 3 311.404 4.344 20 30 DIEDHN CN(C)/C=N/c1ccc(N[C@H](c2ccccc2)C2CC2)cc1C#N ZINC001161961704 1048200921 /nfs/dbraw/zinc/20/09/21/1048200921.db2.gz KVIUBGFLZLNGOY-YRXLECQKSA-N 0 3 318.424 4.343 20 30 DIEDHN CC1=C(c2ccco2)CN(CCCOc2cccc(C#N)c2)CC1 ZINC000554836910 1048205119 /nfs/dbraw/zinc/20/51/19/1048205119.db2.gz ANMVLBMNIRZADH-UHFFFAOYSA-N 0 3 322.408 4.100 20 30 DIEDHN C=C(C)COCCNCc1cc(Cl)ccc1OC1CCCC1 ZINC001201372722 1048242040 /nfs/dbraw/zinc/24/20/40/1048242040.db2.gz LYRBEMKOYQQFIE-UHFFFAOYSA-N 0 3 323.864 4.344 20 30 DIEDHN C=C(C)CN1CCC(Nc2nc3cc(C)ccc3s2)CC1 ZINC001162437264 1048281843 /nfs/dbraw/zinc/28/18/43/1048281843.db2.gz IXOASMSSMXMOPZ-UHFFFAOYSA-N 0 3 301.459 4.057 20 30 DIEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001201474930 1048293342 /nfs/dbraw/zinc/29/33/42/1048293342.db2.gz NXZCGCFLVXQASV-RTWAWAEBSA-N 0 3 315.420 4.291 20 30 DIEDHN C#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201475718 1048296795 /nfs/dbraw/zinc/29/67/95/1048296795.db2.gz YKXSUABWLIGTIE-YADHBBJMSA-N 0 3 314.432 4.401 20 30 DIEDHN N#Cc1ccc(N2CCN(CCCC3CCCCC3)CC2)cc1 ZINC001175454722 1048331974 /nfs/dbraw/zinc/33/19/74/1048331974.db2.gz WOUXZLNOHNFEQP-UHFFFAOYSA-N 0 3 311.473 4.041 20 30 DIEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Br ZINC000481265380 1048347925 /nfs/dbraw/zinc/34/79/25/1048347925.db2.gz AWYJAEBMZVHMNL-BXUZGUMPSA-N 0 3 307.235 4.084 20 30 DIEDHN CCCCCCCCN1CCCn2cnc(COC(C)C)c2C1 ZINC001201826164 1048383478 /nfs/dbraw/zinc/38/34/78/1048383478.db2.gz OTFGQCWIFCTLBE-UHFFFAOYSA-N 0 3 321.509 4.374 20 30 DIEDHN C=CC[C@@H](Nc1ccc(CN(C)C2CC2)cn1)c1ccccc1 ZINC001162908765 1048385519 /nfs/dbraw/zinc/38/55/19/1048385519.db2.gz FDVRYQDXYDENNY-LJQANCHMSA-N 0 3 307.441 4.405 20 30 DIEDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000776219557 1048389726 /nfs/dbraw/zinc/38/97/26/1048389726.db2.gz PACOMPDZJQYHGT-GFCCVEGCSA-N 0 3 300.789 4.077 20 30 DIEDHN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc2ccccc2c1 ZINC000600617509 1048506940 /nfs/dbraw/zinc/50/69/40/1048506940.db2.gz KHPBPVKRDNVIBR-MRXNPFEDSA-N 0 3 305.425 4.151 20 30 DIEDHN C=CCN1CCC[C@H]1c1ccc(NCC(=O)C(C)(C)C)cc1 ZINC001164007682 1048570445 /nfs/dbraw/zinc/57/04/45/1048570445.db2.gz JLBTZHYQEOENRN-KRWDZBQOSA-N 0 3 300.446 4.037 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000042364965 1048592841 /nfs/dbraw/zinc/59/28/41/1048592841.db2.gz MGWIGINDJKSHJQ-UHFFFAOYSA-N 0 3 304.315 4.209 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128671328 1048604046 /nfs/dbraw/zinc/60/40/46/1048604046.db2.gz UBUYESOFYQBVME-INIZCTEOSA-N 0 3 308.381 4.067 20 30 DIEDHN CC(C)Oc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850034247 1048613231 /nfs/dbraw/zinc/61/32/31/1048613231.db2.gz JCDPMVHQTXDVHM-UHFFFAOYSA-N 0 3 320.436 4.319 20 30 DIEDHN C#CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000850225658 1048624790 /nfs/dbraw/zinc/62/47/90/1048624790.db2.gz GAXHIVVKLTWSQU-HXUWFJFHSA-N 0 3 300.405 4.096 20 30 DIEDHN C#CCN(Cc1ccc(OC)cc1)[C@@H]1CCCc2ccccc21 ZINC001176451875 1048688125 /nfs/dbraw/zinc/68/81/25/1048688125.db2.gz GHOKDGALJHQRMN-OAQYLSRUSA-N 0 3 305.421 4.208 20 30 DIEDHN Cc1ccccc1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000160519898 1048704457 /nfs/dbraw/zinc/70/44/57/1048704457.db2.gz UXZIWUOMQPAKIW-UHFFFAOYSA-N 0 3 308.425 4.310 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850761666 1048707416 /nfs/dbraw/zinc/70/74/16/1048707416.db2.gz QBJLOEZXFDXYKZ-DYVFJYSZSA-N 0 3 324.424 4.038 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000483098972 1048734836 /nfs/dbraw/zinc/73/48/36/1048734836.db2.gz DTQVLPFXJLOSAC-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN CCN(Cc1c(C)cc(C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC001190476136 1048738938 /nfs/dbraw/zinc/73/89/38/1048738938.db2.gz OIASOXXWIVDVPM-QGZVFWFLSA-N 0 3 307.441 4.462 20 30 DIEDHN CC[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190503789 1048746697 /nfs/dbraw/zinc/74/66/97/1048746697.db2.gz XWWKXTYEMAZCRE-HNNXBMFYSA-N 0 3 311.347 4.201 20 30 DIEDHN CC(C)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396262 1048753517 /nfs/dbraw/zinc/75/35/17/1048753517.db2.gz VIBIVTSSNCPXJM-QUCCMNQESA-N 0 3 305.425 4.318 20 30 DIEDHN C=CCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CCCCC1 ZINC001190984677 1048813987 /nfs/dbraw/zinc/81/39/87/1048813987.db2.gz KWOMMLZXYNSOPI-PKOBYXMFSA-N 0 3 320.521 4.092 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651227 1048831694 /nfs/dbraw/zinc/83/16/94/1048831694.db2.gz JONFQSKMWNASFL-YUTCNCBUSA-N 0 3 317.408 4.435 20 30 DIEDHN C=CCCC(C)(C)NCc1nc2cc(Br)ccc2o1 ZINC001203228689 1048849924 /nfs/dbraw/zinc/84/99/24/1048849924.db2.gz VLNZKTHSUYFMQU-UHFFFAOYSA-N 0 3 323.234 4.425 20 30 DIEDHN CN(C)[C@@H]1CCOc2c(NC=Cc3ccc(C#N)cc3)cccc21 ZINC001203308544 1048866141 /nfs/dbraw/zinc/86/61/41/1048866141.db2.gz UYIQTGIPCWNQJR-FMAYLGMYSA-N 0 3 319.408 4.026 20 30 DIEDHN Cc1cccc([C@H]2CCCCCN2Cc2cncc(C#N)c2)c1 ZINC001191132284 1048875473 /nfs/dbraw/zinc/87/54/73/1048875473.db2.gz JOAUZQWGTPDNDZ-HXUWFJFHSA-N 0 3 305.425 4.379 20 30 DIEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)c(F)c1 ZINC000853242758 1048892108 /nfs/dbraw/zinc/89/21/08/1048892108.db2.gz RYOFPFHMMBBZAU-KBPBESRZSA-N 0 3 324.399 4.434 20 30 DIEDHN FC(F)(F)[C@H]1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000853284157 1048896568 /nfs/dbraw/zinc/89/65/68/1048896568.db2.gz RRTZDIFASMUCKX-JSGCOSHPSA-N 0 3 322.334 4.148 20 30 DIEDHN CCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC001191278617 1048913827 /nfs/dbraw/zinc/91/38/27/1048913827.db2.gz SPMLEJGAGHEUJE-UHFFFAOYSA-N 0 3 313.828 4.309 20 30 DIEDHN CCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC001191278617 1048913832 /nfs/dbraw/zinc/91/38/32/1048913832.db2.gz SPMLEJGAGHEUJE-UHFFFAOYSA-N 0 3 313.828 4.309 20 30 DIEDHN C=CCN(Cc1cc(F)cc2c1OCOC2)CC1CCCCC1 ZINC000484512710 1048961459 /nfs/dbraw/zinc/96/14/59/1048961459.db2.gz HDWLYFSWSAVETB-UHFFFAOYSA-N 0 3 319.420 4.261 20 30 DIEDHN CC(C)N(Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC001191582599 1048962671 /nfs/dbraw/zinc/96/26/71/1048962671.db2.gz SZPPZDFRQUAZEQ-UHFFFAOYSA-N 0 3 321.262 4.474 20 30 DIEDHN N#Cc1ccc(CN2CCC(Sc3ccccc3)CC2)cc1 ZINC001203905216 1049027947 /nfs/dbraw/zinc/02/79/47/1049027947.db2.gz XCNDKCINIOMRNX-UHFFFAOYSA-N 0 3 308.450 4.315 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000113314096 1049032807 /nfs/dbraw/zinc/03/28/07/1049032807.db2.gz LARHFRMOGZJBRW-LJQANCHMSA-N 0 3 323.461 4.415 20 30 DIEDHN N#Cc1cncc(CN[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC001192081150 1049033675 /nfs/dbraw/zinc/03/36/75/1049033675.db2.gz SUYSGGNRKSHZDD-OAQYLSRUSA-N 0 3 313.404 4.027 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000113952428 1049077623 /nfs/dbraw/zinc/07/76/23/1049077623.db2.gz NWZGQGUMFOHPAL-KSSFIOAISA-N 0 3 312.388 4.357 20 30 DIEDHN C#CCOc1ccc(CNC(C)(C)c2ccc(Cl)cc2)cc1 ZINC001178709706 1049079444 /nfs/dbraw/zinc/07/94/44/1049079444.db2.gz KBLYJHGZWBYDRH-UHFFFAOYSA-N 0 3 313.828 4.377 20 30 DIEDHN COc1cccc([C@H]2C[C@@H](C)CN2CC#Cc2ccc(F)cc2)c1 ZINC001192500171 1049111075 /nfs/dbraw/zinc/11/10/75/1049111075.db2.gz HKBGDXULYPOCNN-IIBYNOLFSA-N 0 3 323.411 4.269 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OC)c(C(C)(C)C)c2)c1 ZINC001178949052 1049113188 /nfs/dbraw/zinc/11/31/88/1049113188.db2.gz CPAQBSDOKUSUJN-UHFFFAOYSA-N 0 3 307.437 4.264 20 30 DIEDHN CC[C@@H](C)CN(C)c1ccc(F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC001179003392 1049120370 /nfs/dbraw/zinc/12/03/70/1049120370.db2.gz ZYHVBOPXYHAMAK-RVKKMQEKSA-N 0 3 317.452 4.090 20 30 DIEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756972 1049137831 /nfs/dbraw/zinc/13/78/31/1049137831.db2.gz KEQZRPKGGSNLII-CVEARBPZSA-N 0 3 315.457 4.469 20 30 DIEDHN CCCCCCCCOc1ccc(CN2CCC(O)CC2)cc1 ZINC001204311589 1049138889 /nfs/dbraw/zinc/13/88/89/1049138889.db2.gz IPJRCUUENMUIKH-UHFFFAOYSA-N 0 3 319.489 4.383 20 30 DIEDHN CCc1ccc(C2=CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001192858814 1049144841 /nfs/dbraw/zinc/14/48/41/1049144841.db2.gz NPKCTJWANVBTPO-UHFFFAOYSA-N 0 3 302.421 4.410 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](Sc3ccccc3)C2)c(F)c1 ZINC001179285638 1049151156 /nfs/dbraw/zinc/15/11/56/1049151156.db2.gz OSFAMXNCRFTAGW-JCNLHEQBSA-N 0 3 312.413 4.110 20 30 DIEDHN CCCCCCCOc1ccc(CN2CCC(C)(O)CC2)cc1 ZINC001204368630 1049153161 /nfs/dbraw/zinc/15/31/61/1049153161.db2.gz HZETVCMEZQYQQX-UHFFFAOYSA-N 0 3 319.489 4.383 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC001204441244 1049163333 /nfs/dbraw/zinc/16/33/33/1049163333.db2.gz HNXOEDCJESYCOO-OAQYLSRUSA-N 0 3 323.436 4.043 20 30 DIEDHN C#CC1(NCc2cnc(-c3ccc(Cl)cc3)s2)CCCC1 ZINC001179437842 1049164067 /nfs/dbraw/zinc/16/40/67/1049164067.db2.gz OUZYUUYQFSDUNN-UHFFFAOYSA-N 0 3 316.857 4.499 20 30 DIEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cc(Cl)sc1Cl)C2 ZINC001179419460 1049167758 /nfs/dbraw/zinc/16/77/58/1049167758.db2.gz MPRHTWKABTXSRJ-CYBMUJFWSA-N 0 3 323.248 4.184 20 30 DIEDHN Cc1c(F)cccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001204513634 1049178614 /nfs/dbraw/zinc/17/86/14/1049178614.db2.gz IXOQPVHZVCOTSX-IBGZPJMESA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1csc(CN[C@H]2CCCC[C@H](c3ccccc3)C2)n1 ZINC001179681646 1049197351 /nfs/dbraw/zinc/19/73/51/1049197351.db2.gz QYUJGHIWPVWCCT-HOTGVXAUSA-N 0 3 311.454 4.221 20 30 DIEDHN C#CCN(Cc1cc(Cl)cc(C(F)(F)F)c1)CC1CC1 ZINC001204640122 1049207139 /nfs/dbraw/zinc/20/71/39/1049207139.db2.gz BFDLULPUOKMVKI-UHFFFAOYSA-N 0 3 301.739 4.204 20 30 DIEDHN C=CC[C@@H](NCc1ccc(OC)c(OC2CC2)c1)c1ccncc1 ZINC000858139028 1049222533 /nfs/dbraw/zinc/22/25/33/1049222533.db2.gz NTCSBZQYPAOWKS-GOSISDBHSA-N 0 3 324.424 4.038 20 30 DIEDHN C#CCN(Cc1ccccc1OCC(F)F)C1CCCCC1 ZINC001180029580 1049261435 /nfs/dbraw/zinc/26/14/35/1049261435.db2.gz CHLOWRNMQPTWCO-UHFFFAOYSA-N 0 3 307.384 4.098 20 30 DIEDHN Cc1cc(CN(C)Cc2cccc(OC(C)C)c2)ccc1C#N ZINC001180136527 1049281351 /nfs/dbraw/zinc/28/13/51/1049281351.db2.gz FIRUQXGBNNEISK-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN C#CCOc1cccc(Cl)c1CN1CCC(CC)(CC)C1 ZINC001180267070 1049324764 /nfs/dbraw/zinc/32/47/64/1049324764.db2.gz NALGBAGKZDKODY-UHFFFAOYSA-N 0 3 305.849 4.364 20 30 DIEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1C#N ZINC000859360396 1049330118 /nfs/dbraw/zinc/33/01/18/1049330118.db2.gz GYIYZFSPDDAGOW-OAHLLOKOSA-N 0 3 306.409 4.043 20 30 DIEDHN C[C@@H]1Cc2cc(CN(Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC001180323341 1049344001 /nfs/dbraw/zinc/34/40/01/1049344001.db2.gz ZVOVTSVBEUWIRR-OAHLLOKOSA-N 0 3 318.420 4.046 20 30 DIEDHN C[C@H]1Cc2cc(CN(Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC001180323340 1049344992 /nfs/dbraw/zinc/34/49/92/1049344992.db2.gz ZVOVTSVBEUWIRR-HNNXBMFYSA-N 0 3 318.420 4.046 20 30 DIEDHN C=CCN(C/C=C\c1ccc(F)cc1F)CCc1ccco1 ZINC001180331804 1049346742 /nfs/dbraw/zinc/34/67/42/1049346742.db2.gz JSNTWVBDLCFCEO-HYXAFXHYSA-N 0 3 303.352 4.302 20 30 DIEDHN C=CCN(Cc1cccs1)Cc1ccc(N(C)C)cc1C ZINC001205161887 1049398818 /nfs/dbraw/zinc/39/88/18/1049398818.db2.gz JGSRBKIMIIODSJ-UHFFFAOYSA-N 0 3 300.471 4.311 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NC2(c3cccc(OC)c3)CC2)cc1 ZINC000777157575 1049430331 /nfs/dbraw/zinc/43/03/31/1049430331.db2.gz UZCGJEHZQDTWDS-MRXNPFEDSA-N 0 3 321.420 4.047 20 30 DIEDHN CCCCCCCCCCOC(=O)NC1CCN(C2CC2)CC1 ZINC001194929042 1049450491 /nfs/dbraw/zinc/45/04/91/1049450491.db2.gz MMOCAFDEUTYWKT-UHFFFAOYSA-N 0 3 324.509 4.480 20 30 DIEDHN C#C[C@@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(C)C ZINC001181578293 1049492219 /nfs/dbraw/zinc/49/22/19/1049492219.db2.gz ZETMORNXMPHGEX-OAHLLOKOSA-N 0 3 304.846 4.211 20 30 DIEDHN CCC#C[C@H](C)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001195334756 1049520971 /nfs/dbraw/zinc/52/09/71/1049520971.db2.gz WHDSGOBJBYFPAE-AWEZNQCLSA-N 0 3 302.487 4.003 20 30 DIEDHN C=CCOc1ccc(CN(C)CC2=CCSC2)cc1Cl ZINC000668775277 1049546880 /nfs/dbraw/zinc/54/68/80/1049546880.db2.gz IVIWSAQLLHPUJN-UHFFFAOYSA-N 0 3 309.862 4.010 20 30 DIEDHN Cc1ccc(CN2CC[C@@](C)(c3cccc(F)c3)C2)cc1C#N ZINC001195851782 1049574823 /nfs/dbraw/zinc/57/48/23/1049574823.db2.gz PCIMDINRTBRTEX-HXUWFJFHSA-N 0 3 308.400 4.169 20 30 DIEDHN C#C[C@@H](N[C@@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974141 1049614745 /nfs/dbraw/zinc/61/47/45/1049614745.db2.gz MGIJXRUKAXVHNR-SCLBCKFNSA-N 0 3 301.792 4.374 20 30 DIEDHN C=CC[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187647 1049618891 /nfs/dbraw/zinc/61/88/91/1049618891.db2.gz GJKKSYOZIASAFI-OALUTQOASA-N 0 3 323.396 4.274 20 30 DIEDHN C#C[C@H](N[C@@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987982 1049621467 /nfs/dbraw/zinc/62/14/67/1049621467.db2.gz BXEVXEVRBMHXAD-LRDDRELGSA-N 0 3 306.247 4.292 20 30 DIEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1C(F)(F)F ZINC001196263867 1049634911 /nfs/dbraw/zinc/63/49/11/1049634911.db2.gz SYHYIPNYLRSEFT-PHTAMDTFSA-N 0 3 308.347 4.340 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122209 1049636875 /nfs/dbraw/zinc/63/68/75/1049636875.db2.gz GUSATUNVUFSAKL-PVUWLOKVSA-N 0 3 300.402 4.258 20 30 DIEDHN N#CC(C(=O)CCCc1csc2ccccc12)c1ccccn1 ZINC000119953423 1049646215 /nfs/dbraw/zinc/64/62/15/1049646215.db2.gz RKJRLDQFEDEYSO-MRXNPFEDSA-N 0 3 320.417 4.495 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001206094643 1049651564 /nfs/dbraw/zinc/65/15/64/1049651564.db2.gz SFQJYFMTFLOXKJ-UHFFFAOYSA-N 0 3 324.211 4.152 20 30 DIEDHN C=CCCCCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000488447997 1049657374 /nfs/dbraw/zinc/65/73/74/1049657374.db2.gz YJUFUYKBUYBIBJ-IBGZPJMESA-N 0 3 315.436 4.327 20 30 DIEDHN C=CCCCCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000488447999 1049658197 /nfs/dbraw/zinc/65/81/97/1049658197.db2.gz YJUFUYKBUYBIBJ-LJQANCHMSA-N 0 3 315.436 4.327 20 30 DIEDHN CCCCCCCCCN1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC001196562557 1049673208 /nfs/dbraw/zinc/67/32/08/1049673208.db2.gz BFKLVMVKDKLJIB-OAHLLOKOSA-N 0 3 319.436 4.257 20 30 DIEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)cc2F)CC12CCCCC2 ZINC001206215815 1049684222 /nfs/dbraw/zinc/68/42/22/1049684222.db2.gz QRWCNCZPRPEWNP-SFHVURJKSA-N 0 3 300.421 4.488 20 30 DIEDHN C/C=C\COc1ccc(CC[C@H](C)NCC2(C#N)CCC2)cc1 ZINC001206328279 1049714111 /nfs/dbraw/zinc/71/41/11/1049714111.db2.gz IPHKBFDJPFGNIS-LIMHQNJXSA-N 0 3 312.457 4.246 20 30 DIEDHN C#CC1CCN(Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC001206408672 1049728994 /nfs/dbraw/zinc/72/89/94/1049728994.db2.gz FMPQBEZQWLQTFY-UHFFFAOYSA-N 0 3 310.466 4.272 20 30 DIEDHN C#CC[C@@H]1CCCN(Cc2cc(Br)c(C)s2)C1 ZINC001206408446 1049729463 /nfs/dbraw/zinc/72/94/63/1049729463.db2.gz AFJUVUMQUWYJDU-GFCCVEGCSA-N 0 3 312.276 4.054 20 30 DIEDHN N#CCc1cccc2c1CCN(Cc1coc3ccccc13)C2 ZINC001207009002 1049821614 /nfs/dbraw/zinc/82/16/14/1049821614.db2.gz RCEUNYMAMCBELS-UHFFFAOYSA-N 0 3 302.377 4.057 20 30 DIEDHN CC(C)(C)CCOc1cnccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000490428092 1049827901 /nfs/dbraw/zinc/82/79/01/1049827901.db2.gz CMJIESLAYQPOKY-RDJZCZTQSA-N 0 3 315.461 4.069 20 30 DIEDHN CCCN(CCC#N)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207408612 1049888857 /nfs/dbraw/zinc/88/88/57/1049888857.db2.gz ZRVBFVOGOMTXPK-SFHVURJKSA-N 0 3 306.494 4.280 20 30 DIEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000156608187 1049933828 /nfs/dbraw/zinc/93/38/28/1049933828.db2.gz ZSCFTLVZDOVVCW-GXSJLCMTSA-N 0 3 324.858 4.268 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(N(C)C(=O)C(C)C)CC1 ZINC001208124554 1049975372 /nfs/dbraw/zinc/97/53/72/1049975372.db2.gz SIDRDQQNFWQUCM-VAWYXSNFSA-N 0 3 322.537 4.482 20 30 DIEDHN CCCCCCC/C=C/CN1CCC(N(C)C(=O)CC)CC1 ZINC001208124366 1049975403 /nfs/dbraw/zinc/97/54/03/1049975403.db2.gz NBIKPCMYVKYOBC-VAWYXSNFSA-N 0 3 308.510 4.236 20 30 DIEDHN CN(C)c1ccccc1CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588978876 1050015547 /nfs/dbraw/zinc/01/55/47/1050015547.db2.gz SXDNIXDCTQGQQX-UHFFFAOYSA-N 0 3 321.468 4.186 20 30 DIEDHN N#Cc1cccc(CCCN2CCc3c(Cl)cccc3C2)c1 ZINC001208850407 1050016794 /nfs/dbraw/zinc/01/67/94/1050016794.db2.gz BLELEVMUBFTQPT-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN CC(C)[C@@H](CNCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000589319231 1050029156 /nfs/dbraw/zinc/02/91/56/1050029156.db2.gz MSPMOHINLRTPRB-OAHLLOKOSA-N 0 3 319.861 4.198 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2CCc1ccc(Cl)cc1Cl ZINC001209082570 1050033035 /nfs/dbraw/zinc/03/30/35/1050033035.db2.gz WMQWPHQLGLGELK-UWEBFBLFSA-N 0 3 309.240 4.302 20 30 DIEDHN CCCCN(CCC#N)CCCCCCCCCC(=O)OC ZINC001209095236 1050034938 /nfs/dbraw/zinc/03/49/38/1050034938.db2.gz RPCCMCZRZVRVFN-UHFFFAOYSA-N 0 3 310.482 4.296 20 30 DIEDHN C=CCCCCCN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001209427582 1050057838 /nfs/dbraw/zinc/05/78/38/1050057838.db2.gz UKQWUSLABNVJLY-GFCCVEGCSA-N 0 3 317.355 4.014 20 30 DIEDHN C=CCCN(Cc1c2ccccc2nn1C)Cc1ccccc1 ZINC001209536215 1050067313 /nfs/dbraw/zinc/06/73/13/1050067313.db2.gz ITOPLCSZQZZHRU-UHFFFAOYSA-N 0 3 305.425 4.152 20 30 DIEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCC3)cc1Cl ZINC000589937803 1050068074 /nfs/dbraw/zinc/06/80/74/1050068074.db2.gz VUUKMAJDVHYATE-UHFFFAOYSA-N 0 3 310.828 4.380 20 30 DIEDHN C[C@@]1(C#N)CCCN(CC(c2ccccc2)c2ccccc2)C1 ZINC000590362426 1050089531 /nfs/dbraw/zinc/08/95/31/1050089531.db2.gz HFDMKEDUMYVBRH-NRFANRHFSA-N 0 3 304.437 4.444 20 30 DIEDHN N#CCCCOc1cccc(CN2CC(Cc3ccccc3)C2)c1 ZINC000590967509 1050114929 /nfs/dbraw/zinc/11/49/29/1050114929.db2.gz OZGKEKIYDUJLPQ-UHFFFAOYSA-N 0 3 320.436 4.044 20 30 DIEDHN N#CC1(CCN[C@H](Cn2cccn2)c2ccccc2)CCCCC1 ZINC000591018809 1050118153 /nfs/dbraw/zinc/11/81/53/1050118153.db2.gz DLSXOSXOAVIXLS-LJQANCHMSA-N 0 3 322.456 4.078 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000591241350 1050132297 /nfs/dbraw/zinc/13/22/97/1050132297.db2.gz IXXAKRWMFNKAJS-CYBMUJFWSA-N 0 3 314.816 4.380 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000591241351 1050132414 /nfs/dbraw/zinc/13/24/14/1050132414.db2.gz IXXAKRWMFNKAJS-ZDUSSCGKSA-N 0 3 314.816 4.380 20 30 DIEDHN FC(F)(F)c1ccccc1[C@@H]1CCCCCC1=Nn1cnnc1 ZINC000770591564 1050175721 /nfs/dbraw/zinc/17/57/21/1050175721.db2.gz YAJJRQIQNIVPGX-ZDUSSCGKSA-N 0 3 322.334 4.249 20 30 DIEDHN C#CC[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccccc1 ZINC000824037633 1050177510 /nfs/dbraw/zinc/17/75/10/1050177510.db2.gz WDZKYJNJDYPPOD-LJQANCHMSA-N 0 3 321.420 4.092 20 30 DIEDHN C=C(Br)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378760510 1050188546 /nfs/dbraw/zinc/18/85/46/1050188546.db2.gz AUIXHLRLFIZGEU-KXUCPTDWSA-N 0 3 320.683 4.392 20 30 DIEDHN N#Cc1cccc2c1CC[C@H]2Nc1ccncc1-c1ccccc1 ZINC001171062751 1050232218 /nfs/dbraw/zinc/23/22/18/1050232218.db2.gz MSXJPANQEVXDPO-HXUWFJFHSA-N 0 3 311.388 4.142 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000573668759 1050233488 /nfs/dbraw/zinc/23/34/88/1050233488.db2.gz PHMJTKZGVQXBFV-HFTRVMKXSA-N 0 3 315.848 4.399 20 30 DIEDHN CC(C)Cn1nccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000592368130 1050289163 /nfs/dbraw/zinc/28/91/63/1050289163.db2.gz RYNQASOLOVWIOF-LJQANCHMSA-N 0 3 310.445 4.064 20 30 DIEDHN CC(C)C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccncc1 ZINC000592390243 1050297076 /nfs/dbraw/zinc/29/70/76/1050297076.db2.gz KNNYIJCEFKTCKY-SFHVURJKSA-N 0 3 313.832 4.484 20 30 DIEDHN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000592391635 1050297625 /nfs/dbraw/zinc/29/76/25/1050297625.db2.gz QAPUAZQLBYMUMS-ZDUSSCGKSA-N 0 3 313.470 4.492 20 30 DIEDHN N#CC[C@H]1CCCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084454 1050298862 /nfs/dbraw/zinc/29/88/62/1050298862.db2.gz ZAEMRAKLDLGZQD-IUODEOHRSA-N 0 3 323.267 4.476 20 30 DIEDHN COc1cc(CNCc2ccc(C(C)(C)C)s2)ccc1C#N ZINC000574005318 1050300909 /nfs/dbraw/zinc/30/09/09/1050300909.db2.gz HSMRCIPZVBTJOT-UHFFFAOYSA-N 0 3 314.454 4.216 20 30 DIEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497592 1050518807 /nfs/dbraw/zinc/51/88/07/1050518807.db2.gz IFMGJXOTWCATNF-IBGZPJMESA-N 0 3 320.436 4.273 20 30 DIEDHN CC(C)(C#N)c1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000594496554 1050519748 /nfs/dbraw/zinc/51/97/48/1050519748.db2.gz NSHUXVBPCCUFOJ-UHFFFAOYSA-N 0 3 300.352 4.056 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594512758 1050526101 /nfs/dbraw/zinc/52/61/01/1050526101.db2.gz CXXJNFWYPYPJGF-CQSZACIVSA-N 0 3 321.380 4.196 20 30 DIEDHN N#Cc1ccc(C2(N[C@@H]3CCc4c3cccc4F)CCC2)cc1 ZINC000594512978 1050526168 /nfs/dbraw/zinc/52/61/68/1050526168.db2.gz GARSKLUAVBYSOI-LJQANCHMSA-N 0 3 306.384 4.354 20 30 DIEDHN N#C[C@H]1CCC[C@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519712 1050528531 /nfs/dbraw/zinc/52/85/31/1050528531.db2.gz XYZACEZJBTWYSZ-JSGCOSHPSA-N 0 3 324.346 4.246 20 30 DIEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594516742 1050528704 /nfs/dbraw/zinc/52/87/04/1050528704.db2.gz DHDWXBKBENEBJR-HXUWFJFHSA-N 0 3 315.420 4.137 20 30 DIEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1ccccc1N(C)C ZINC000594520137 1050529371 /nfs/dbraw/zinc/52/93/71/1050529371.db2.gz ZZPFQAJVXXHKGO-MRXNPFEDSA-N 0 3 319.452 4.354 20 30 DIEDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2[O-] ZINC000787025379 1050539427 /nfs/dbraw/zinc/53/94/27/1050539427.db2.gz GHEQWRJHKSJDAK-LQAWEQHXSA-N 0 3 322.383 4.228 20 30 DIEDHN N#CC[C@H]1CCCN([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160943 1050544111 /nfs/dbraw/zinc/54/41/11/1050544111.db2.gz CRRBAPZEYHGJKO-DOMZBBRYSA-N 0 3 323.267 4.476 20 30 DIEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)c2ccc(C)cc2)cc1 ZINC000594702409 1050547531 /nfs/dbraw/zinc/54/75/31/1050547531.db2.gz WHXUYYKZPRKYID-FQEVSTJZSA-N 0 3 320.436 4.377 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cccs1 ZINC000739143902 1050560480 /nfs/dbraw/zinc/56/04/80/1050560480.db2.gz RYNGXWCRCKYKSU-MNOVXSKESA-N 0 3 312.419 4.338 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)c1cccs1 ZINC000739143904 1050561082 /nfs/dbraw/zinc/56/10/82/1050561082.db2.gz RYNGXWCRCKYKSU-WDEREUQCSA-N 0 3 312.419 4.338 20 30 DIEDHN CCOCc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914757 1050561278 /nfs/dbraw/zinc/56/12/78/1050561278.db2.gz KKWCZZMFMVETSO-UHFFFAOYSA-N 0 3 320.436 4.068 20 30 DIEDHN COc1ccc(C2(NCc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000594924409 1050562306 /nfs/dbraw/zinc/56/23/06/1050562306.db2.gz NUULSZQBQDDYQY-UHFFFAOYSA-N 0 3 318.420 4.029 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001211436329 1050566255 /nfs/dbraw/zinc/56/62/55/1050566255.db2.gz ITBZKRREBFRGOC-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001211436107 1050566540 /nfs/dbraw/zinc/56/65/40/1050566540.db2.gz AWEQXBBGXVZZIA-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cccc3ccccc32)no1 ZINC001211436612 1050566829 /nfs/dbraw/zinc/56/68/29/1050566829.db2.gz RTNLWOPKOCUGIR-UHFFFAOYSA-N 0 3 319.408 4.389 20 30 DIEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(C)c2Cl)no1 ZINC001211436576 1050566876 /nfs/dbraw/zinc/56/68/76/1050566876.db2.gz QELYGTYRRWHLCH-UHFFFAOYSA-N 0 3 317.820 4.198 20 30 DIEDHN Cc1ccc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)[nH]c2c1 ZINC000594938467 1050575177 /nfs/dbraw/zinc/57/51/77/1050575177.db2.gz LHDZVBORGNVDMS-LJQANCHMSA-N 0 3 301.393 4.125 20 30 DIEDHN N#CC1(c2ccc(CN[C@@H]3CCCc4sccc43)cc2)CC1 ZINC000594943706 1050578012 /nfs/dbraw/zinc/57/80/12/1050578012.db2.gz GAQKEVMWVONTOO-QGZVFWFLSA-N 0 3 308.450 4.470 20 30 DIEDHN N=C(Nc1ccc2c(c1)C=CC2)c1ccc2cc(O)ccc2c1 ZINC001171182158 1050578282 /nfs/dbraw/zinc/57/82/82/1050578282.db2.gz JBSIVGYMQNAJRX-UHFFFAOYSA-N 0 3 300.361 4.152 20 30 DIEDHN Cc1cccc2c1OCC[C@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594940955 1050578527 /nfs/dbraw/zinc/57/85/27/1050578527.db2.gz WMJGGVSLANRMIZ-LJQANCHMSA-N 0 3 318.420 4.164 20 30 DIEDHN Cc1nc2ccc(Nc3ccc4nc(C#N)sc4c3)cc2[nH]1 ZINC001213074390 1050579122 /nfs/dbraw/zinc/57/91/22/1050579122.db2.gz RXLXPWAGYLXURK-UHFFFAOYSA-N 0 3 305.366 4.096 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(F)c(F)cc1Cl ZINC001171183488 1050582033 /nfs/dbraw/zinc/58/20/33/1050582033.db2.gz FICCVFMIXVWIOB-NSHDSACASA-N 0 3 320.770 4.211 20 30 DIEDHN CC[C@@H]1c2ccsc2CCN1CCOc1cccc(C#N)c1 ZINC000059384342 1050582513 /nfs/dbraw/zinc/58/25/13/1050582513.db2.gz SWFZYTXEOATCKR-QGZVFWFLSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)NCc1c(F)cc(Cl)cc1F ZINC001171184374 1050583249 /nfs/dbraw/zinc/58/32/49/1050583249.db2.gz MCTQWXJDKOMTND-LLVKDONJSA-N 0 3 320.770 4.211 20 30 DIEDHN N#CC(C(=O)C=CC1CCCCCC1)c1cnc2ccccc2n1 ZINC000845530196 1050590305 /nfs/dbraw/zinc/59/03/05/1050590305.db2.gz DQUIKJFUGSLXRF-PCUGXKRQSA-N 0 3 319.408 4.333 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)F)nc1 ZINC000595008058 1050593469 /nfs/dbraw/zinc/59/34/69/1050593469.db2.gz PBHWPPOHYJKKRT-NWDGAFQWSA-N 0 3 301.340 4.303 20 30 DIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049041 1050602378 /nfs/dbraw/zinc/60/23/78/1050602378.db2.gz TZYVUUJJASAFCH-MEDUHNTESA-N 0 3 313.351 4.229 20 30 DIEDHN CC[C@H](NCc1cc(COC)cs1)c1ccc(C#N)cc1 ZINC000595076066 1050609432 /nfs/dbraw/zinc/60/94/32/1050609432.db2.gz DEIYTAYYJKVWRN-KRWDZBQOSA-N 0 3 300.427 4.007 20 30 DIEDHN C#Cc1ccc(CN(C)Cc2cccc(Br)c2)cc1 ZINC001144568253 1050621864 /nfs/dbraw/zinc/62/18/64/1050621864.db2.gz ONQIWSAMMOHUQK-UHFFFAOYSA-N 0 3 314.226 4.062 20 30 DIEDHN CN(C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1cccs1 ZINC000575098981 1050644882 /nfs/dbraw/zinc/64/48/82/1050644882.db2.gz BENKNBMLFFCHTR-AWEZNQCLSA-N 0 3 321.396 4.272 20 30 DIEDHN CN(C)[C@H](CNc1cccc(C(F)F)c1C#N)c1cccs1 ZINC000575098982 1050645394 /nfs/dbraw/zinc/64/53/94/1050645394.db2.gz BENKNBMLFFCHTR-CQSZACIVSA-N 0 3 321.396 4.272 20 30 DIEDHN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](CC#N)C1 ZINC000595613860 1050657751 /nfs/dbraw/zinc/65/77/51/1050657751.db2.gz IOTULOHZCMCNJL-OLZOCXBDSA-N 0 3 312.335 4.272 20 30 DIEDHN CC[C@@H](/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])c1ccncc1 ZINC000741466520 1050683410 /nfs/dbraw/zinc/68/34/10/1050683410.db2.gz UNIQDVNRBIVMRK-ALDSOSFCSA-N 0 3 311.429 4.204 20 30 DIEDHN C=CCC[C@@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772719884 1050686844 /nfs/dbraw/zinc/68/68/44/1050686844.db2.gz YGEWYKZMIMLXGP-QGZVFWFLSA-N 0 3 315.457 4.187 20 30 DIEDHN CC[C@H](Cc1ccc(Br)cc1)NCC1(C#N)CCC1 ZINC000597154446 1050814945 /nfs/dbraw/zinc/81/49/45/1050814945.db2.gz QOQBZQTXJMVOLM-OAHLLOKOSA-N 0 3 321.262 4.054 20 30 DIEDHN CC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000846949569 1050789392 /nfs/dbraw/zinc/78/93/92/1050789392.db2.gz IWLNCJYFUAGTLA-UHFFFAOYSA-N 0 3 318.420 4.026 20 30 DIEDHN Cc1ncsc1-c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000597079582 1050805727 /nfs/dbraw/zinc/80/57/27/1050805727.db2.gz DYUXCAMBBPQHBW-UHFFFAOYSA-N 0 3 311.454 4.244 20 30 DIEDHN C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)NCC(C)(C)C#N ZINC000597083207 1050805951 /nfs/dbraw/zinc/80/59/51/1050805951.db2.gz PUXZPICLLDWXGL-JTQLQIEISA-N 0 3 318.770 4.429 20 30 DIEDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088523 1050807198 /nfs/dbraw/zinc/80/71/98/1050807198.db2.gz OZVXAYGDGGJOPY-BBRMVZONSA-N 0 3 322.374 4.405 20 30 DIEDHN C#CCCCNCc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000742383024 1050825289 /nfs/dbraw/zinc/82/52/89/1050825289.db2.gz RUNUFXITSUHZFK-UHFFFAOYSA-N 0 3 315.848 4.152 20 30 DIEDHN Cc1cc(F)cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000076767892 1050900383 /nfs/dbraw/zinc/90/03/83/1050900383.db2.gz JUUWFAQVKYWWCS-CYBMUJFWSA-N 0 3 322.261 4.038 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000772985287 1050911199 /nfs/dbraw/zinc/91/11/99/1050911199.db2.gz WFFYHUDTTRYZIX-CRAIPNDOSA-N 0 3 323.440 4.230 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC001203478870 1050912210 /nfs/dbraw/zinc/91/22/10/1050912210.db2.gz LUTOLYXJVMOOSL-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743261190 1051008501 /nfs/dbraw/zinc/00/85/01/1051008501.db2.gz KRCWVGHCKNRSIT-SFHVURJKSA-N 0 3 301.817 4.062 20 30 DIEDHN C#CC[C@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000790980628 1051019108 /nfs/dbraw/zinc/01/91/08/1051019108.db2.gz PDGDIXCQDLTPNA-NRFANRHFSA-N 0 3 305.421 4.330 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000743477684 1051032987 /nfs/dbraw/zinc/03/29/87/1051032987.db2.gz UJNUJNZZQLTUHP-KDOFPFPSSA-N 0 3 312.388 4.357 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114272 1051067736 /nfs/dbraw/zinc/06/77/36/1051067736.db2.gz HZKRPJNFLLAYAL-LEWJYISDSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114279 1051069049 /nfs/dbraw/zinc/06/90/49/1051069049.db2.gz HZKRPJNFLLAYAL-SFTDATJTSA-N 0 3 305.421 4.427 20 30 DIEDHN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(OCC#N)cc2)o1 ZINC000743872201 1051086619 /nfs/dbraw/zinc/08/66/19/1051086619.db2.gz QRSIZXCIHXJROS-BEFAXECRSA-N 0 3 324.424 4.464 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876394 1051087955 /nfs/dbraw/zinc/08/79/55/1051087955.db2.gz ZNCPVVFKAYXWFD-MAUKXSAKSA-N 0 3 310.397 4.155 20 30 DIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CCC)cc1 ZINC000744029818 1051093989 /nfs/dbraw/zinc/09/39/89/1051093989.db2.gz WPHCXXVOAFCPTA-PBHICJAKSA-N 0 3 314.429 4.113 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1ccco1 ZINC000744118209 1051115153 /nfs/dbraw/zinc/11/51/53/1051115153.db2.gz HSIYHWWLCKFWGS-KOLCDFICSA-N 0 3 314.341 4.008 20 30 DIEDHN N#CC(C(=O)CCc1ccccc1F)c1nccc2ccccc21 ZINC000792098677 1051120067 /nfs/dbraw/zinc/12/00/67/1051120067.db2.gz DMCFUILICJHVPS-QGZVFWFLSA-N 0 3 318.351 4.183 20 30 DIEDHN N#CC(C(=O)CCCC(F)(F)F)c1nccc2ccccc21 ZINC000792095175 1051120246 /nfs/dbraw/zinc/12/02/46/1051120246.db2.gz ULSGYCVROAMMCU-ZDUSSCGKSA-N 0 3 306.287 4.144 20 30 DIEDHN N#CC(C(=O)CCc1ccccc1F)c1nccc2ccccc21 ZINC000792098676 1051120258 /nfs/dbraw/zinc/12/02/58/1051120258.db2.gz DMCFUILICJHVPS-KRWDZBQOSA-N 0 3 318.351 4.183 20 30 DIEDHN C#CC[C@@H](NCc1ccc(-n2ccnc2)cc1C)c1ccccc1 ZINC000792273241 1051133085 /nfs/dbraw/zinc/13/30/85/1051133085.db2.gz TWILAMRAADPTNT-OAQYLSRUSA-N 0 3 315.420 4.035 20 30 DIEDHN C=C(C)CN(CCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC001170184992 1051147684 /nfs/dbraw/zinc/14/76/84/1051147684.db2.gz RRFLEYMFNVXSDF-UHFFFAOYSA-N 0 3 319.832 4.046 20 30 DIEDHN C[C@@]1(F)CCN(C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379167 1051199267 /nfs/dbraw/zinc/19/92/67/1051199267.db2.gz RVYIJYVJSOETSG-QGLXBCBXSA-N 0 3 318.411 4.163 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000793309931 1051277428 /nfs/dbraw/zinc/27/74/28/1051277428.db2.gz UHLVGLZYWUAELL-NRFANRHFSA-N 0 3 323.411 4.395 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047887 1051310358 /nfs/dbraw/zinc/31/03/58/1051310358.db2.gz SKFUVBIGDOPMIX-PBHICJAKSA-N 0 3 312.413 4.067 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047889 1051310600 /nfs/dbraw/zinc/31/06/00/1051310600.db2.gz SKFUVBIGDOPMIX-WMLDXEAASA-N 0 3 312.413 4.067 20 30 DIEDHN N#Cc1sccc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711328 1051319125 /nfs/dbraw/zinc/31/91/25/1051319125.db2.gz NRAZDBHNSBSEJY-UHFFFAOYSA-N 0 3 315.417 4.488 20 30 DIEDHN Cc1nc(C#N)ccc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215711832 1051320009 /nfs/dbraw/zinc/32/00/09/1051320009.db2.gz YQBYARPKGIUUIZ-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN CCCCCCC[C@@H](CC)N[C@H]1c2ccccc2CNC1=O ZINC001172350807 1051368727 /nfs/dbraw/zinc/36/87/27/1051368727.db2.gz PWXIFNRUMAQJKH-AEFFLSMTSA-N 0 3 302.462 4.086 20 30 DIEDHN N#Cc1c(F)cccc1CN(Cc1ccccc1O)C1CCCC1 ZINC000794375475 1051373691 /nfs/dbraw/zinc/37/36/91/1051373691.db2.gz LKRWDBSUIMYSLL-UHFFFAOYSA-N 0 3 324.399 4.348 20 30 DIEDHN CCCCCCCC[C@@H](CC)N1CCN(CC(F)F)CC1 ZINC001172502190 1051422428 /nfs/dbraw/zinc/42/24/28/1051422428.db2.gz OROFKSROEYMJJI-MRXNPFEDSA-N 0 3 304.469 4.398 20 30 DIEDHN CCCCCCC[C@H](CCC)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001172511768 1051428792 /nfs/dbraw/zinc/42/87/92/1051428792.db2.gz WPHWXKGBOHEGEY-IRXDYDNUSA-N 0 3 317.539 4.025 20 30 DIEDHN CC(C)OC(=O)CC[C@H](C)N(CCC#N)C1CCCCCCC1 ZINC001172763430 1051501333 /nfs/dbraw/zinc/50/13/33/1051501333.db2.gz JDXUBPCAPVETGC-KRWDZBQOSA-N 0 3 322.493 4.435 20 30 DIEDHN Cc1nc2ccc(N[C@](C)(C#N)c3ccccc3Cl)cc2[nH]1 ZINC001169380361 1051598316 /nfs/dbraw/zinc/59/83/16/1051598316.db2.gz AHKPRLAWVMISJE-QGZVFWFLSA-N 0 3 310.788 4.376 20 30 DIEDHN C#CCCCN[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000766727565 1051622336 /nfs/dbraw/zinc/62/23/36/1051622336.db2.gz GHQWUKYKTHJDAC-IBGZPJMESA-N 0 3 313.828 4.441 20 30 DIEDHN C=C(C)CCc1ccccc1N1CCCc2ccc(CN)nc21 ZINC001169592302 1051651147 /nfs/dbraw/zinc/65/11/47/1051651147.db2.gz LWSPRXZPECMYJH-UHFFFAOYSA-N 0 3 307.441 4.133 20 30 DIEDHN C=CCOC1CCC(NCc2c(F)ccc(Cl)c2F)CC1 ZINC001173310913 1051684449 /nfs/dbraw/zinc/68/44/49/1051684449.db2.gz ADRCOXMQHSOKHU-UHFFFAOYSA-N 0 3 315.791 4.222 20 30 DIEDHN CCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173310770 1051684728 /nfs/dbraw/zinc/68/47/28/1051684728.db2.gz YUVGCSSUINZVKG-DLBZAZTESA-N 0 3 309.498 4.007 20 30 DIEDHN CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(OCC#N)cc1 ZINC000805835771 1051687298 /nfs/dbraw/zinc/68/72/98/1051687298.db2.gz SLVAFWIRDSHEQE-IBGZPJMESA-N 0 3 324.424 4.181 20 30 DIEDHN CC[C@H](c1ccccc1OC)N(C)Cc1ccc(OCC#N)cc1 ZINC000805835772 1051687323 /nfs/dbraw/zinc/68/73/23/1051687323.db2.gz SLVAFWIRDSHEQE-LJQANCHMSA-N 0 3 324.424 4.181 20 30 DIEDHN CC(C)[Si](C#C[NH2+]Cc1ncccc1[O-])(C(C)C)C(C)C ZINC001169731826 1051687659 /nfs/dbraw/zinc/68/76/59/1051687659.db2.gz QXXLLOVMDPEALR-UHFFFAOYSA-N 0 3 304.510 4.056 20 30 DIEDHN CCCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173285582 1051689064 /nfs/dbraw/zinc/68/90/64/1051689064.db2.gz XOAWTMJEMQKWOD-QZTJIDSGSA-N 0 3 323.525 4.397 20 30 DIEDHN C=CC[C@H]1N(C[C@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843667 1051711566 /nfs/dbraw/zinc/71/15/66/1051711566.db2.gz HFHUVXRNBIQWQG-JKSUJKDBSA-N 0 3 309.400 4.065 20 30 DIEDHN C=C(CN[C@H](C)c1ccnn1-c1ccccc1)c1ccccc1 ZINC000467335486 1051715609 /nfs/dbraw/zinc/71/56/09/1051715609.db2.gz KUIBTLGAVWZAAM-QGZVFWFLSA-N 0 3 303.409 4.236 20 30 DIEDHN C=C[C@H](CC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000152543931 1051723429 /nfs/dbraw/zinc/72/34/29/1051723429.db2.gz KHQYBSLNXVMYGN-QGZVFWFLSA-N 0 3 308.425 4.047 20 30 DIEDHN CC1(C#N)CCC(N2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173599381 1051758539 /nfs/dbraw/zinc/75/85/39/1051758539.db2.gz KSCDYKZWDPEKJR-ADKAHSJRSA-N 0 3 318.461 4.388 20 30 DIEDHN CCC[C@@H](C(=O)c1ccccc1)N(C)C1CCC(C)(C#N)CC1 ZINC001173601419 1051760361 /nfs/dbraw/zinc/76/03/61/1051760361.db2.gz SUENOTCYXLYIGO-FDYSRKEFSA-N 0 3 312.457 4.442 20 30 DIEDHN CCc1nc2ccccc2n1N=C/C=C/c1ccccc1OC ZINC000767374133 1051798505 /nfs/dbraw/zinc/79/85/05/1051798505.db2.gz QYTACYPFLZBDIU-GGFLDDBKSA-N 0 3 305.381 4.155 20 30 DIEDHN COc1ccc(CN(C)C/C(C)=C\c2ccccc2)cc1C#N ZINC000494234864 1051858275 /nfs/dbraw/zinc/85/82/75/1051858275.db2.gz RXFYCIKFQLIPEH-WJDWOHSUSA-N 0 3 306.409 4.102 20 30 DIEDHN C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1 ZINC000768194833 1051900257 /nfs/dbraw/zinc/90/02/57/1051900257.db2.gz GDYQJESDNMDORH-CVEARBPZSA-N 0 3 306.409 4.097 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1 ZINC000768194835 1051900926 /nfs/dbraw/zinc/90/09/26/1051900926.db2.gz GDYQJESDNMDORH-HZPDHXFCSA-N 0 3 306.409 4.097 20 30 DIEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)cc1C(F)(F)F ZINC001173929962 1051902557 /nfs/dbraw/zinc/90/25/57/1051902557.db2.gz NZPOIDPAGQZWEU-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN CN(C)Cc1ccccc1Nc1c(C#N)cccc1C(F)(F)F ZINC001173933003 1051905007 /nfs/dbraw/zinc/90/50/07/1051905007.db2.gz XGQQFLLXHHKPBR-UHFFFAOYSA-N 0 3 319.330 4.382 20 30 DIEDHN C=CCC[C@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972793 1051925612 /nfs/dbraw/zinc/92/56/12/1051925612.db2.gz RIWDXGLLWNPSBZ-JKSUJKDBSA-N 0 3 323.795 4.403 20 30 DIEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531432 1051975464 /nfs/dbraw/zinc/97/54/64/1051975464.db2.gz DZACMPIQSXCRNZ-XQQFMLRXSA-N 0 3 303.381 4.127 20 30 DIEDHN Cc1cc(Cl)cc([C@@H](C)NCc2cc(C#N)ccc2F)c1O ZINC000808705934 1052069056 /nfs/dbraw/zinc/06/90/56/1052069056.db2.gz BHEPYIPAYPKXAF-LLVKDONJSA-N 0 3 318.779 4.216 20 30 DIEDHN Cc1cc(C#N)c(NC2=CCCN(Cc3ccccc3)C2)s1 ZINC001174392706 1052115590 /nfs/dbraw/zinc/11/55/90/1052115590.db2.gz IHQBOIWEQCSOCR-UHFFFAOYSA-N 0 3 309.438 4.130 20 30 DIEDHN N#Cc1ccc(CNCC2(c3cccc(F)c3F)CCCC2)o1 ZINC000494840361 1052147614 /nfs/dbraw/zinc/14/76/14/1052147614.db2.gz OSXNASMZWMRVFY-UHFFFAOYSA-N 0 3 316.351 4.031 20 30 DIEDHN C[Si](C)(C)C#C[C@@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218214422 1052208854 /nfs/dbraw/zinc/20/88/54/1052208854.db2.gz NRLMDJGZCHMCMC-LJQANCHMSA-N 0 3 321.496 4.291 20 30 DIEDHN CC(C)(C)c1cccc(C#N)c1O[C@@H]1CNCc2ccccc21 ZINC001218489948 1052249291 /nfs/dbraw/zinc/24/92/91/1052249291.db2.gz QBVYQOJDQDKCTK-GOSISDBHSA-N 0 3 306.409 4.079 20 30 DIEDHN C[C@@H](CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000231750822 1052287871 /nfs/dbraw/zinc/28/78/71/1052287871.db2.gz MQGYEAVANYTTNL-ZETCQYMHSA-N 0 3 303.221 4.275 20 30 DIEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000487913738 1052351825 /nfs/dbraw/zinc/35/18/25/1052351825.db2.gz IPOWOEVVUSRFLI-IBGZPJMESA-N 0 3 306.409 4.212 20 30 DIEDHN CCCCCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000315889941 1052355919 /nfs/dbraw/zinc/35/59/19/1052355919.db2.gz PMRFMMPWNGECOY-CVEARBPZSA-N 0 3 306.498 4.404 20 30 DIEDHN CCCN(CCC)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000915681327 1052469105 /nfs/dbraw/zinc/46/91/05/1052469105.db2.gz ZVSJPQHESOMUAV-UHFFFAOYSA-N 0 3 321.468 4.474 20 30 DIEDHN CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000916911638 1052667080 /nfs/dbraw/zinc/66/70/80/1052667080.db2.gz CSJJNDZWRDSYDC-QGZVFWFLSA-N 0 3 314.429 4.257 20 30 DIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000916956310 1052672393 /nfs/dbraw/zinc/67/23/93/1052672393.db2.gz ZSNDFJQSRLXHAD-PBHICJAKSA-N 0 3 314.429 4.284 20 30 DIEDHN C[C@@H](c1ccccn1)N1CCC[C@@H](OCCCCCCC#N)C1 ZINC001224376684 1052693108 /nfs/dbraw/zinc/69/31/08/1052693108.db2.gz URAORGSTMTWJRL-ZWKOTPCHSA-N 0 3 315.461 4.098 20 30 DIEDHN C[C@@H](NN=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000920386330 1052937162 /nfs/dbraw/zinc/93/71/62/1052937162.db2.gz XPZNHWWJOGQPBX-QGZVFWFLSA-N 0 3 307.441 4.362 20 30 DIEDHN C#CCOc1ccccc1CNCc1cc2ccccc2s1 ZINC000920414894 1052938749 /nfs/dbraw/zinc/93/87/49/1052938749.db2.gz PKQUCQUVGBLSOM-UHFFFAOYSA-N 0 3 307.418 4.203 20 30 DIEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755258 1052945266 /nfs/dbraw/zinc/94/52/66/1052945266.db2.gz DTHQAGNECAPLNL-ZDUSSCGKSA-N 0 3 314.816 4.461 20 30 DIEDHN Cc1cccc(OC(C(=O)c2ccco2)c2ccco2)c1C#N ZINC001226920317 1052945586 /nfs/dbraw/zinc/94/55/86/1052945586.db2.gz OHPVHNAUYPZEAQ-SFHVURJKSA-N 0 3 307.305 4.056 20 30 DIEDHN Cc1ccc([C@@H](C/N=C/c2cc(Cl)ccc2[O-])[NH+](C)C)cc1 ZINC000921262109 1052966491 /nfs/dbraw/zinc/96/64/91/1052966491.db2.gz ZXXPRQRGIDKOAR-MLHZQLSASA-N 0 3 316.832 4.076 20 30 DIEDHN Cc1ccc(F)c(CNCCSCc2ccccc2C#N)c1 ZINC000609740924 1052990077 /nfs/dbraw/zinc/99/00/77/1052990077.db2.gz BRNRTUGFSOFBHJ-UHFFFAOYSA-N 0 3 314.429 4.029 20 30 DIEDHN CCOc1cccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541939 1053065835 /nfs/dbraw/zinc/06/58/35/1053065835.db2.gz IHOZHVHWPGOCMF-HZPDHXFCSA-N 0 3 324.424 4.399 20 30 DIEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000069160058 1053125113 /nfs/dbraw/zinc/12/51/13/1053125113.db2.gz DQXBPOKRYICXEM-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN C[C@H](Cc1cccc(F)c1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000069285833 1053153208 /nfs/dbraw/zinc/15/32/08/1053153208.db2.gz ULRNSIOPLVHASK-DOMZBBRYSA-N 0 3 322.339 4.022 20 30 DIEDHN C#CC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001319732164 1053268193 /nfs/dbraw/zinc/26/81/93/1053268193.db2.gz AXPOGBKHKYZZOT-NRFANRHFSA-N 0 3 304.437 4.141 20 30 DIEDHN C=C(C)C[C@@H](Oc1ccc(C(=O)CCN(C)C)cc1)C(=C)C ZINC001229303526 1053295994 /nfs/dbraw/zinc/29/59/94/1053295994.db2.gz UCDUHVWPBJBGRK-LJQANCHMSA-N 0 3 301.430 4.111 20 30 DIEDHN C=CCc1ccc(O)c(O[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001229341040 1053301294 /nfs/dbraw/zinc/30/12/94/1053301294.db2.gz DZVVDLWUWSRPSG-IBGZPJMESA-N 0 3 323.436 4.164 20 30 DIEDHN COc1cc(C)c([C@@H](C)NCc2cccc(OCC#N)c2)cc1C ZINC001320090612 1053303389 /nfs/dbraw/zinc/30/33/89/1053303389.db2.gz BXRAOABWFWGMEB-MRXNPFEDSA-N 0 3 324.424 4.065 20 30 DIEDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(C#N)cc1F ZINC001320126281 1053307769 /nfs/dbraw/zinc/30/77/69/1053307769.db2.gz XWCQUXGBFRPRIE-LRDDRELGSA-N 0 3 310.372 4.050 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)c(F)c1 ZINC000618742716 1053357335 /nfs/dbraw/zinc/35/73/35/1053357335.db2.gz QCQWWRSBLNPCOE-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(F)(F)F)cc1 ZINC000618741873 1053360665 /nfs/dbraw/zinc/36/06/65/1053360665.db2.gz IOCQKAPUBAWGGG-KRWDZBQOSA-N 0 3 316.326 4.354 20 30 DIEDHN CCCCCCCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001545838343 1053369197 /nfs/dbraw/zinc/36/91/97/1053369197.db2.gz KPFNYWVPNZDZMF-UHFFFAOYSA-N 0 3 315.461 4.381 20 30 DIEDHN CCc1nc(C)c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806342 1053371600 /nfs/dbraw/zinc/37/16/00/1053371600.db2.gz QSRYJLZQQUGOGK-BZNIZROVSA-N 0 3 311.454 4.224 20 30 DIEDHN COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807183 1053374149 /nfs/dbraw/zinc/37/41/49/1053374149.db2.gz VHASFHIOBGGLNQ-KPZWWZAWSA-N 0 3 310.372 4.044 20 30 DIEDHN CCOc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CC2 ZINC001321225817 1053401195 /nfs/dbraw/zinc/40/11/95/1053401195.db2.gz XTHIYWAANQVJMO-UHFFFAOYSA-N 0 3 300.446 4.163 20 30 DIEDHN C=C(CNCc1c(C)nc2scc(C3CC3)n12)c1ccccc1 ZINC001200136193 1053407857 /nfs/dbraw/zinc/40/78/57/1053407857.db2.gz WTMGKEJYUYQHMD-UHFFFAOYSA-N 0 3 323.465 4.385 20 30 DIEDHN CSc1ccccc1[C@H](C)NCc1cccc(OCC#N)c1 ZINC001321356151 1053409237 /nfs/dbraw/zinc/40/92/37/1053409237.db2.gz VXMUYPWTVMCQIB-AWEZNQCLSA-N 0 3 312.438 4.162 20 30 DIEDHN CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229932549 1053433607 /nfs/dbraw/zinc/43/36/07/1053433607.db2.gz DSGUKKQRAUHAFA-VYVDHXHBSA-N 0 3 324.424 4.004 20 30 DIEDHN CC(C)[N@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229932549 1053433626 /nfs/dbraw/zinc/43/36/26/1053433626.db2.gz DSGUKKQRAUHAFA-VYVDHXHBSA-N 0 3 324.424 4.004 20 30 DIEDHN CC(C)[N@@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229932548 1053434415 /nfs/dbraw/zinc/43/44/15/1053434415.db2.gz DSGUKKQRAUHAFA-RSZPVBOMSA-N 0 3 324.424 4.004 20 30 DIEDHN CC(C)[N@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229932548 1053434418 /nfs/dbraw/zinc/43/44/18/1053434418.db2.gz DSGUKKQRAUHAFA-RSZPVBOMSA-N 0 3 324.424 4.004 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001321896090 1053439829 /nfs/dbraw/zinc/43/98/29/1053439829.db2.gz RICFROJCJWBZDW-HUUCEWRRSA-N 0 3 318.848 4.254 20 30 DIEDHN Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000182537938 1053470252 /nfs/dbraw/zinc/47/02/52/1053470252.db2.gz FEFJURQBDDEXHP-UHFFFAOYSA-N 0 3 319.452 4.252 20 30 DIEDHN N#CC(C(=O)CCC1CCCCCC1)c1nc2ccccc2[nH]1 ZINC000847619504 1053510842 /nfs/dbraw/zinc/51/08/42/1053510842.db2.gz FDVVENNPALJZQV-HNNXBMFYSA-N 0 3 309.413 4.490 20 30 DIEDHN CC[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccccc1OC ZINC000325727722 1053525006 /nfs/dbraw/zinc/52/50/06/1053525006.db2.gz OJBCBANVLFVSDO-BIXGBWIQSA-N 0 3 320.436 4.360 20 30 DIEDHN N#CCOc1ccc(CNCc2cccc(CC3CCC3)c2)cc1 ZINC001200294133 1053532393 /nfs/dbraw/zinc/53/23/93/1053532393.db2.gz WYLIEWVUTAYYSF-UHFFFAOYSA-N 0 3 320.436 4.221 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2CCc3c2cccc3C)cc1OC ZINC001200314566 1053547036 /nfs/dbraw/zinc/54/70/36/1053547036.db2.gz PCYKUAHUWYVFQM-LJQANCHMSA-N 0 3 323.436 4.346 20 30 DIEDHN N#Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1Cl ZINC000619755509 1053549033 /nfs/dbraw/zinc/54/90/33/1053549033.db2.gz ZGRQZVDNKNPGOG-KRWDZBQOSA-N 0 3 300.764 4.128 20 30 DIEDHN Cc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000619748333 1053554075 /nfs/dbraw/zinc/55/40/75/1053554075.db2.gz AQMWAGZCSALELZ-UHFFFAOYSA-N 0 3 305.208 4.463 20 30 DIEDHN COc1ccccc1/C=C/CNCc1ccc(C#N)c(Cl)c1 ZINC000619748409 1053554101 /nfs/dbraw/zinc/55/41/01/1053554101.db2.gz KKJZOKNWXGHAEV-GQCTYLIASA-N 0 3 312.800 4.023 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2cccc(OCC#N)c2)cc1 ZINC001324840787 1053681862 /nfs/dbraw/zinc/68/18/62/1053681862.db2.gz HPFDJILQFVPNPH-MRXNPFEDSA-N 0 3 324.424 4.229 20 30 DIEDHN N#CCOc1cccc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC001324843248 1053685747 /nfs/dbraw/zinc/68/57/47/1053685747.db2.gz VPYJDMYGKSZDSR-SFHVURJKSA-N 0 3 312.800 4.019 20 30 DIEDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202928 1053738295 /nfs/dbraw/zinc/73/82/95/1053738295.db2.gz GDQPVKSYONOBDN-LSDHHAIUSA-N 0 3 310.397 4.009 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC001231618241 1053802370 /nfs/dbraw/zinc/80/23/70/1053802370.db2.gz CAICZJYVQMZDFJ-UHFFFAOYSA-N 0 3 306.409 4.145 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc(C)cc1 ZINC001231618586 1053804821 /nfs/dbraw/zinc/80/48/21/1053804821.db2.gz OPVOJDZGUMFWDV-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN C=CCN(Cc1c[nH]c2c1cccc2OC)Cc1ccccc1 ZINC001231899031 1053907912 /nfs/dbraw/zinc/90/79/12/1053907912.db2.gz JSYPJQDEHGBTOP-UHFFFAOYSA-N 0 3 306.409 4.365 20 30 DIEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)c2ccc[nH]2)cc1OC ZINC001328764653 1053953781 /nfs/dbraw/zinc/95/37/81/1053953781.db2.gz OYJPMXFJDCQUAG-LBPRGKRZSA-N 0 3 320.820 4.092 20 30 DIEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116891 1053964277 /nfs/dbraw/zinc/96/42/77/1053964277.db2.gz QTPYDSTYMLGGSK-UHFFFAOYSA-N 0 3 314.816 4.242 20 30 DIEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC001232115438 1053964986 /nfs/dbraw/zinc/96/49/86/1053964986.db2.gz OXSBOAGTQKABAA-MRXNPFEDSA-N 0 3 314.791 4.340 20 30 DIEDHN CC[C@@H](N[C@@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984954 1054104658 /nfs/dbraw/zinc/10/46/58/1054104658.db2.gz TYAGBMFGSCKHLO-RTBURBONSA-N 0 3 322.456 4.454 20 30 DIEDHN C=CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000848537197 1054133422 /nfs/dbraw/zinc/13/34/22/1054133422.db2.gz BJIUMEJJCSXYBX-LJQANCHMSA-N 0 3 305.425 4.290 20 30 DIEDHN C[C@H](c1cccc2ccccc21)N(C)Cc1cccc(C#N)n1 ZINC001232926317 1054150170 /nfs/dbraw/zinc/15/01/70/1054150170.db2.gz JJCFGNCJDLFKKE-OAHLLOKOSA-N 0 3 301.393 4.299 20 30 DIEDHN CC[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1[O-] ZINC000848567236 1054153652 /nfs/dbraw/zinc/15/36/52/1054153652.db2.gz RMDIYPBBXVPCQD-SFHVURJKSA-N 0 3 306.409 4.384 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC001233081377 1054183092 /nfs/dbraw/zinc/18/30/92/1054183092.db2.gz WOPQHWVXZUKBTR-UHFFFAOYSA-N 0 3 324.399 4.049 20 30 DIEDHN Cc1ccccc1O[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233081183 1054183212 /nfs/dbraw/zinc/18/32/12/1054183212.db2.gz SAZCHIPMWBRVQN-HXUWFJFHSA-N 0 3 320.436 4.219 20 30 DIEDHN Cc1ccccc1OC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233080014 1054183301 /nfs/dbraw/zinc/18/33/01/1054183301.db2.gz BEVROFDFRMJGCI-UHFFFAOYSA-N 0 3 320.436 4.219 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](OCc2ccccc2)C1 ZINC001233082776 1054183612 /nfs/dbraw/zinc/18/36/12/1054183612.db2.gz ZGPNPPGJYHEHIU-OAQYLSRUSA-N 0 3 320.436 4.048 20 30 DIEDHN C=CCCN(Cc1[nH]nc2cc(F)ccc21)Cc1ccccc1 ZINC001233124915 1054187663 /nfs/dbraw/zinc/18/76/63/1054187663.db2.gz SCAMGSOECFDJPA-UHFFFAOYSA-N 0 3 309.388 4.280 20 30 DIEDHN C=CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C(C)(C)C ZINC001233111769 1054188688 /nfs/dbraw/zinc/18/86/88/1054188688.db2.gz WZTPOTMEWVQHHT-UHFFFAOYSA-N 0 3 312.251 4.250 20 30 DIEDHN C=CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C(C)(C)C ZINC001233111769 1054188694 /nfs/dbraw/zinc/18/86/94/1054188694.db2.gz WZTPOTMEWVQHHT-UHFFFAOYSA-N 0 3 312.251 4.250 20 30 DIEDHN CCCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000184882067 1054228085 /nfs/dbraw/zinc/22/80/85/1054228085.db2.gz DDXJPJMPZDEKAB-KRWDZBQOSA-N 0 3 324.428 4.057 20 30 DIEDHN C=CCN(CC=C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001233339496 1054238626 /nfs/dbraw/zinc/23/86/26/1054238626.db2.gz LPSJCXRWPHXRBT-UHFFFAOYSA-N 0 3 302.418 4.208 20 30 DIEDHN CC(C)c1ccccc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000848909173 1054293860 /nfs/dbraw/zinc/29/38/60/1054293860.db2.gz MNMYCXCSLKZVDQ-UHFFFAOYSA-N 0 3 319.452 4.262 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC001344322729 1054465460 /nfs/dbraw/zinc/46/54/60/1054465460.db2.gz WSCXAIUBROZHNT-YQQAZPJKSA-N 0 3 321.424 4.069 20 30 DIEDHN N#CC(C(=O)CCC1CCCC1)c1nccn1Cc1ccccc1 ZINC001357527197 1054494190 /nfs/dbraw/zinc/49/41/90/1054494190.db2.gz OJSJUSDCRNBJSD-GOSISDBHSA-N 0 3 321.424 4.078 20 30 DIEDHN CCC[C@H](C(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346001117 1054524282 /nfs/dbraw/zinc/52/42/82/1054524282.db2.gz VYJWCUVMCQZQIG-LSDHHAIUSA-N 0 3 314.335 4.120 20 30 DIEDHN N#CC(C(=O)C1CCCCCC1)c1nccn1Cc1ccccc1 ZINC001346536873 1054539619 /nfs/dbraw/zinc/53/96/19/1054539619.db2.gz BYSLIOAGNQBTHC-SFHVURJKSA-N 0 3 321.424 4.078 20 30 DIEDHN CC(C)CC1(C(=O)C(C#N)c2ncc(F)cc2F)CCCC1 ZINC001346764247 1054548635 /nfs/dbraw/zinc/54/86/35/1054548635.db2.gz NUGJZQSMPSBNQU-CYBMUJFWSA-N 0 3 306.356 4.143 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(F)cc2C)c1 ZINC000073012608 1054614213 /nfs/dbraw/zinc/61/42/13/1054614213.db2.gz ANWCHTWBDMSRNC-SFHVURJKSA-N 0 3 312.388 4.105 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)c(F)c2)c1 ZINC000073012336 1054615263 /nfs/dbraw/zinc/61/52/63/1054615263.db2.gz CUPQQXOZVNXDSH-KRWDZBQOSA-N 0 3 312.388 4.105 20 30 DIEDHN CCCCCCCC[C@@H](C)C(=O)N(CC)C1CCN(C)CC1 ZINC001449965083 1054633502 /nfs/dbraw/zinc/63/35/02/1054633502.db2.gz BJVCCTDLULCTOV-QGZVFWFLSA-N 0 3 310.526 4.316 20 30 DIEDHN N#CCC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234996931 1054639966 /nfs/dbraw/zinc/63/99/66/1054639966.db2.gz QDXBTLYMYCLIRE-UHFFFAOYSA-N 0 3 306.409 4.185 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235042935 1054646981 /nfs/dbraw/zinc/64/69/81/1054646981.db2.gz MVVLSHRSHNMENW-MKZZRHPPSA-N 0 3 309.388 4.087 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1ccccc1COC(C)C ZINC000921501628 1054680040 /nfs/dbraw/zinc/68/00/40/1054680040.db2.gz LXVZOGDRQNLTIW-UHFFFAOYSA-N 0 3 322.452 4.390 20 30 DIEDHN C=CCN(Cc1c[nH]c2cnc(Cl)cc12)Cc1ccccc1 ZINC001235519869 1054732344 /nfs/dbraw/zinc/73/23/44/1054732344.db2.gz IGQKIFLTUXEPQS-UHFFFAOYSA-N 0 3 311.816 4.405 20 30 DIEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C2CCCCC2)s1 ZINC000578411636 1054781240 /nfs/dbraw/zinc/78/12/40/1054781240.db2.gz ZPVHUZOLUZHEAM-CVEARBPZSA-N 0 3 306.475 4.014 20 30 DIEDHN C[C@@H](NCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623903709 1054811605 /nfs/dbraw/zinc/81/16/05/1054811605.db2.gz NOBWIEJZSGSOSI-SSDOTTSWSA-N 0 3 303.221 4.448 20 30 DIEDHN CCN(CC)Cc1cccc(-c2ccc(F)c(C#N)c2)c1F ZINC001235897773 1054837356 /nfs/dbraw/zinc/83/73/56/1054837356.db2.gz NKXPNEDSJTYZCF-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN Cc1cc(-c2cccc(CN3CCCCC3)c2F)nc(C)c1C#N ZINC001236003702 1054891457 /nfs/dbraw/zinc/89/14/57/1054891457.db2.gz BNRSNPUXTDOGOR-UHFFFAOYSA-N 0 3 323.415 4.362 20 30 DIEDHN Cc1cc(C#N)cc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236005141 1054891476 /nfs/dbraw/zinc/89/14/76/1054891476.db2.gz LMTUDZLJKCOGOS-UHFFFAOYSA-N 0 3 309.388 4.054 20 30 DIEDHN N#Cc1cc(C#N)cc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236015198 1054898541 /nfs/dbraw/zinc/89/85/41/1054898541.db2.gz LZBNYEYWAWZKTG-UHFFFAOYSA-N 0 3 319.383 4.222 20 30 DIEDHN Cc1nc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1CC#N ZINC001236244212 1055029896 /nfs/dbraw/zinc/02/98/96/1055029896.db2.gz IUBQIJHZMNKGGS-UHFFFAOYSA-N 0 3 323.415 4.248 20 30 DIEDHN C=CCCC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001536600540 1055138070 /nfs/dbraw/zinc/13/80/70/1055138070.db2.gz ZYOAEHYRQOVDRV-RTBURBONSA-N 0 3 314.473 4.073 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(C#N)cc3F)c(C)c2)CC1 ZINC001236524447 1055159382 /nfs/dbraw/zinc/15/93/82/1055159382.db2.gz XVOYPNQQUSOFLP-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN COc1cc2ccccc2cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236675594 1055225917 /nfs/dbraw/zinc/22/59/17/1055225917.db2.gz JRDIIHZQOPYQBV-QIDUDWOJSA-N 0 3 306.409 4.115 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC(C)C)cc2)cc1 ZINC000764847165 1055270428 /nfs/dbraw/zinc/27/04/28/1055270428.db2.gz DEUOOWMWCJBLIP-QGZVFWFLSA-N 0 3 323.436 4.337 20 30 DIEDHN C=CCC[N@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1[O-] ZINC001236812982 1055272036 /nfs/dbraw/zinc/27/20/36/1055272036.db2.gz IIHNMBPQLUUQRN-UHFFFAOYSA-N 0 3 311.425 4.288 20 30 DIEDHN C=CCC[N@@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1[O-] ZINC001236812982 1055272046 /nfs/dbraw/zinc/27/20/46/1055272046.db2.gz IIHNMBPQLUUQRN-UHFFFAOYSA-N 0 3 311.425 4.288 20 30 DIEDHN CSc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1F ZINC000765013907 1055310753 /nfs/dbraw/zinc/31/07/53/1055310753.db2.gz IVXJLVZPPKDKBM-GFCCVEGCSA-N 0 3 300.402 4.270 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCCC)cc2)cc1 ZINC000765038706 1055315492 /nfs/dbraw/zinc/31/54/92/1055315492.db2.gz OILBXEJCIYFNJX-QGZVFWFLSA-N 0 3 323.436 4.338 20 30 DIEDHN COc1cc([C@H](C)NCc2ccc(C#N)cc2)ccc1SC ZINC000765016658 1055316680 /nfs/dbraw/zinc/31/66/80/1055316680.db2.gz XROMRVUFKLNCFJ-ZDUSSCGKSA-N 0 3 312.438 4.140 20 30 DIEDHN Cc1cccc(-c2ccc(CN3CCC(S)CC3)cn2)c1C ZINC001236989413 1055323088 /nfs/dbraw/zinc/32/30/88/1055323088.db2.gz NZHGBSAMWKEIFH-UHFFFAOYSA-N 0 3 312.482 4.260 20 30 DIEDHN CCCCCCCCC[C@H](C)CC(=O)N1CCNC(C)(C)C1 ZINC001587747304 1055358031 /nfs/dbraw/zinc/35/80/31/1055358031.db2.gz KMEFZQKELBIORI-KRWDZBQOSA-N 0 3 310.526 4.364 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccnc2c(OC)cccc12 ZINC001237112682 1055374692 /nfs/dbraw/zinc/37/46/92/1055374692.db2.gz WYOJSVFRFBVADL-UHFFFAOYSA-N 0 3 318.420 4.432 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CSCc3ccccc32)cc1 ZINC000765428765 1055388335 /nfs/dbraw/zinc/38/83/35/1055388335.db2.gz YRPZYNVWJNEDCH-QRWLVFNGSA-N 0 3 323.461 4.337 20 30 DIEDHN COc1ccc2c(c1)nccc2N[C@@H](C)c1cccc(C#N)c1 ZINC000765512897 1055419992 /nfs/dbraw/zinc/41/99/92/1055419992.db2.gz JLXUMKISZJSHIQ-ZDUSSCGKSA-N 0 3 303.365 4.288 20 30 DIEDHN Cn1cc(CN2CCC[C@H]3CCCC[C@@H]32)c2cc(C#N)ccc21 ZINC001237471793 1055459669 /nfs/dbraw/zinc/45/96/69/1055459669.db2.gz ZQGVQENDGSGREK-APWZRJJASA-N 0 3 307.441 4.205 20 30 DIEDHN C[C@H](c1cccc2ccccc21)N(C)Cc1ccnc(C#N)c1 ZINC001237469495 1055459763 /nfs/dbraw/zinc/45/97/63/1055459763.db2.gz WCRCSGVIVWQIRL-OAHLLOKOSA-N 0 3 301.393 4.299 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H]2C2CCCCC2)c(F)cc1F ZINC001237530386 1055469248 /nfs/dbraw/zinc/46/92/48/1055469248.db2.gz OGNFWWJOAJEQSN-GOSISDBHSA-N 0 3 304.384 4.381 20 30 DIEDHN N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237644867 1055493634 /nfs/dbraw/zinc/49/36/34/1055493634.db2.gz DVTWXBGJCOQOBZ-OAHLLOKOSA-N 0 3 324.399 4.324 20 30 DIEDHN N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237644867 1055493642 /nfs/dbraw/zinc/49/36/42/1055493642.db2.gz DVTWXBGJCOQOBZ-OAHLLOKOSA-N 0 3 324.399 4.324 20 30 DIEDHN CC1(C#N)CCN(Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237664108 1055497352 /nfs/dbraw/zinc/49/73/52/1055497352.db2.gz DABJLTDDXYJJPU-UHFFFAOYSA-N 0 3 306.409 4.185 20 30 DIEDHN C#CCN(Cc1cc(OC)ccc1C)[C@@H]1CCc2ccccc21 ZINC001237712956 1055512470 /nfs/dbraw/zinc/51/24/70/1055512470.db2.gz HDPNCBQZDAMNKZ-OAQYLSRUSA-N 0 3 305.421 4.126 20 30 DIEDHN COc1ccc([C@@H](C)N(C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237751324 1055523379 /nfs/dbraw/zinc/52/33/79/1055523379.db2.gz IOUVWQHIWMAYTF-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN N#Cc1cc(Cl)cc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001237751590 1055523445 /nfs/dbraw/zinc/52/34/45/1055523445.db2.gz MLEOELJUYNVUQX-INIZCTEOSA-N 0 3 314.791 4.340 20 30 DIEDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC001620913298 1055538286 /nfs/dbraw/zinc/53/82/86/1055538286.db2.gz AJTCGRMEWRRHGB-UHFFFAOYSA-N 0 3 323.827 4.302 20 30 DIEDHN C=CC(C)(C)CNCc1oc2ccccc2c1Br ZINC001620938562 1055553316 /nfs/dbraw/zinc/55/33/16/1055553316.db2.gz FXLXZFZJEFGORJ-UHFFFAOYSA-N 0 3 308.219 4.497 20 30 DIEDHN Cc1cnc(-c2ccccc2)c(CN2CCC[C@@H](CC#N)C2)c1 ZINC001238624639 1055700472 /nfs/dbraw/zinc/70/04/72/1055700472.db2.gz JYQKOHHXRIOJRE-KRWDZBQOSA-N 0 3 305.425 4.183 20 30 DIEDHN Cc1cnc(-c2ccccc2)c(CN2CCC(C)(C#N)CC2)c1 ZINC001238623810 1055702490 /nfs/dbraw/zinc/70/24/90/1055702490.db2.gz FGUQDBSIVIYVQM-UHFFFAOYSA-N 0 3 305.425 4.183 20 30 DIEDHN Cc1cnc(-c2ccccc2)c(CN2CCC[C@H](C#N)CC2)c1 ZINC001238626478 1055704728 /nfs/dbraw/zinc/70/47/28/1055704728.db2.gz UELDRYGJBMXYFF-KRWDZBQOSA-N 0 3 305.425 4.183 20 30 DIEDHN N#CC1CCN(Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001238634809 1055706015 /nfs/dbraw/zinc/70/60/15/1055706015.db2.gz MVZOPVKKTDZNPJ-UHFFFAOYSA-N 0 3 311.816 4.138 20 30 DIEDHN CCc1cc(CN2CCCc3ccc(OC)cc3C2)ccc1C#N ZINC001238773468 1055747434 /nfs/dbraw/zinc/74/74/34/1055747434.db2.gz ZEMXLZYXTPZOSI-UHFFFAOYSA-N 0 3 320.436 4.078 20 30 DIEDHN CN(C)/C=C/c1ccncc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238844390 1055765679 /nfs/dbraw/zinc/76/56/79/1055765679.db2.gz BLPWQZXAJVBVID-SOFGYWHQSA-N 0 3 317.314 4.171 20 30 DIEDHN CCCCCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CNC2 ZINC001239187579 1055842294 /nfs/dbraw/zinc/84/22/94/1055842294.db2.gz GFCVJHCKCVRYNU-AWEZNQCLSA-N 0 3 303.450 4.160 20 30 DIEDHN N#Cc1ccc(/C=C/c2cc(CN3CCCCC3)ccn2)cc1 ZINC001239282066 1055857981 /nfs/dbraw/zinc/85/79/81/1055857981.db2.gz CBUWKGMXDQOJEO-CMDGGOBGSA-N 0 3 303.409 4.110 20 30 DIEDHN CCCCCCCCCCOC(=O)Nc1ccnc(CN)c1 ZINC001239312292 1055864313 /nfs/dbraw/zinc/86/43/13/1055864313.db2.gz HPXPSNCFJXBELU-UHFFFAOYSA-N 0 3 307.438 4.230 20 30 DIEDHN CCCCCCCC[C@H](C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001569790891 1055872870 /nfs/dbraw/zinc/87/28/70/1055872870.db2.gz SHMUEQDDTNLMFB-MSOLQXFVSA-N 0 3 322.537 4.316 20 30 DIEDHN CCCCCCCCCNC(=S)Nc1ccc2c(c1)CNC2 ZINC001239343284 1055877801 /nfs/dbraw/zinc/87/78/01/1055877801.db2.gz NZQLEQAJRBINSA-UHFFFAOYSA-N 0 3 319.518 4.327 20 30 DIEDHN C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccncc1 ZINC000090997611 1056162958 /nfs/dbraw/zinc/16/29/58/1056162958.db2.gz MNXHNZQWIXYWFY-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000072742226 1056467179 /nfs/dbraw/zinc/46/71/79/1056467179.db2.gz LVKMOWPPHUMOLX-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615223750 1056480775 /nfs/dbraw/zinc/48/07/75/1056480775.db2.gz WQTCOEKAPBRJIX-INIZCTEOSA-N 0 3 306.409 4.316 20 30 DIEDHN C#CCN(Cc1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 ZINC001615264635 1056484898 /nfs/dbraw/zinc/48/48/98/1056484898.db2.gz CYNXRWHPSLBWNK-QFIPXVFZSA-N 0 3 301.433 4.298 20 30 DIEDHN C#CCN(C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCc2ccccc21 ZINC001615272436 1056486485 /nfs/dbraw/zinc/48/64/85/1056486485.db2.gz NYVDOUSALUSDAI-ICSRJNTNSA-N 0 3 309.453 4.101 20 30 DIEDHN C#CCN(C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615272435 1056487242 /nfs/dbraw/zinc/48/72/42/1056487242.db2.gz NYVDOUSALUSDAI-AZUAARDMSA-N 0 3 309.453 4.101 20 30 DIEDHN C#CCN(C[C@H]1CCCC2(CCC2)O1)[C@H]1CCc2ccccc21 ZINC001615272437 1056487458 /nfs/dbraw/zinc/48/74/58/1056487458.db2.gz NYVDOUSALUSDAI-QUCCMNQESA-N 0 3 309.453 4.101 20 30 DIEDHN C#CCN(C[C@H]1CCCC2(CCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615272438 1056487912 /nfs/dbraw/zinc/48/79/12/1056487912.db2.gz NYVDOUSALUSDAI-UYAOXDASSA-N 0 3 309.453 4.101 20 30 DIEDHN CCCCCCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC001615337977 1056496992 /nfs/dbraw/zinc/49/69/92/1056496992.db2.gz PPSRETMNMJOOMM-UHFFFAOYSA-N 0 3 309.885 4.218 20 30 DIEDHN C=CCCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001615523879 1056526885 /nfs/dbraw/zinc/52/68/85/1056526885.db2.gz JQDWGMDZKNVNJF-IYBDPMFKSA-N 0 3 310.482 4.063 20 30 DIEDHN CSCc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000921926332 1056627363 /nfs/dbraw/zinc/62/73/63/1056627363.db2.gz VLWWKTPNXJGSFK-UHFFFAOYSA-N 0 3 308.450 4.200 20 30 DIEDHN Cc1cc(C)cc(C2=CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC001616396346 1056649070 /nfs/dbraw/zinc/64/90/70/1056649070.db2.gz VONJMBAUQOQTBS-UHFFFAOYSA-N 0 3 302.421 4.464 20 30 DIEDHN CC(C)(C)[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC001616549059 1056676252 /nfs/dbraw/zinc/67/62/52/1056676252.db2.gz NBNNWGMAVQXENI-AWEZNQCLSA-N 0 3 321.262 4.189 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001616700474 1056702985 /nfs/dbraw/zinc/70/29/85/1056702985.db2.gz UUHOQBWNYXRCEF-CVEARBPZSA-N 0 3 310.482 4.063 20 30 DIEDHN CC#CCN[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001616728718 1056708852 /nfs/dbraw/zinc/70/88/52/1056708852.db2.gz FOPUTBJJBKPUQN-NRFANRHFSA-N 0 3 307.437 4.209 20 30 DIEDHN Cc1nc2c(s1)[C@@H](NCc1c(C)cc(C#N)cc1C)CCC2 ZINC000921981298 1056711167 /nfs/dbraw/zinc/71/11/67/1056711167.db2.gz SRTHJEITERCKJV-INIZCTEOSA-N 0 3 311.454 4.107 20 30 DIEDHN C#CC(C)(C)N(C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001617175433 1056786498 /nfs/dbraw/zinc/78/64/98/1056786498.db2.gz DDOKAIGLHAQKFB-UHFFFAOYSA-N 0 3 317.376 4.151 20 30 DIEDHN C=C(C)[C@H](NCC1(O)CCCCCC1)c1ccc(F)c(F)c1 ZINC001617345930 1056817079 /nfs/dbraw/zinc/81/70/79/1056817079.db2.gz VVCLXQKQNBNSRL-KRWDZBQOSA-N 0 3 309.400 4.257 20 30 DIEDHN N#CCCC[C@H](NCc1nccc2c1CCCC2)c1ccccc1 ZINC000922144623 1056845269 /nfs/dbraw/zinc/84/52/69/1056845269.db2.gz HFWYVQLQGUQGNG-FQEVSTJZSA-N 0 3 319.452 4.485 20 30 DIEDHN N#CCCC[C@@H](NCc1ccnn1C1CCC1)c1ccccc1 ZINC000922145831 1056847239 /nfs/dbraw/zinc/84/72/39/1056847239.db2.gz WYLUHVVCZBVXNH-LJQANCHMSA-N 0 3 308.429 4.133 20 30 DIEDHN Cc1ccc([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)c(C)c1 ZINC001617712869 1056872029 /nfs/dbraw/zinc/87/20/29/1056872029.db2.gz ISRXJAQYLNQIBK-QGZVFWFLSA-N 0 3 308.400 4.304 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CNCc1cnccc1C(C)(C)C ZINC000922181868 1056954034 /nfs/dbraw/zinc/95/40/34/1056954034.db2.gz CEEGMXFYOVOMDP-UHFFFAOYSA-N 0 3 307.441 4.157 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000118391755 1057018136 /nfs/dbraw/zinc/01/81/36/1057018136.db2.gz QXCYUXFEJKGCIZ-HNNXBMFYSA-N 0 3 304.393 4.114 20 30 DIEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000093492247 1057038657 /nfs/dbraw/zinc/03/86/57/1057038657.db2.gz JTFWVZSPNNNWPX-SNVBAGLBSA-N 0 3 310.344 4.489 20 30 DIEDHN COc1cc(C#N)ccc1-c1ccc(F)c(CN2CCCCC2)c1 ZINC001241412561 1057044974 /nfs/dbraw/zinc/04/49/74/1057044974.db2.gz UDUUPDCSENHPPE-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN Cc1cc(C2=CCN(Cc3ccccc3)CC2)cc(F)c1C#N ZINC001241504793 1057074574 /nfs/dbraw/zinc/07/45/74/1057074574.db2.gz JWUGEWOEKRIYKQ-UHFFFAOYSA-N 0 3 306.384 4.295 20 30 DIEDHN N#CCc1c(F)cccc1C1=CCN(Cc2ccccc2)CC1 ZINC001241507938 1057079134 /nfs/dbraw/zinc/07/91/34/1057079134.db2.gz VSCNLCGXZVRVHK-UHFFFAOYSA-N 0 3 306.384 4.181 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017724 1057105792 /nfs/dbraw/zinc/10/57/92/1057105792.db2.gz CRVCORZUQOWKKR-MAUKXSAKSA-N 0 3 324.424 4.211 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018802 1057107553 /nfs/dbraw/zinc/10/75/53/1057107553.db2.gz HKNOLUKADFPSEI-KUHUBIRLSA-N 0 3 309.413 4.008 20 30 DIEDHN C=CC[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccncc1 ZINC000766021830 1057121017 /nfs/dbraw/zinc/12/10/17/1057121017.db2.gz UXLUGGZKXCDVRX-OXQOHEQNSA-N 0 3 318.424 4.235 20 30 DIEDHN CCN(CC)Cc1cccc(-c2cc(F)cc(C#N)c2)c1F ZINC001241660616 1057126863 /nfs/dbraw/zinc/12/68/63/1057126863.db2.gz WYNCONIFAXCSGC-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cc(Br)cs1 ZINC000226392989 1057127904 /nfs/dbraw/zinc/12/79/04/1057127904.db2.gz UEDITOABRUURQX-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN C=CC[C@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000625700028 1057192105 /nfs/dbraw/zinc/19/21/05/1057192105.db2.gz HAAPYWRDDLQFPI-NSHDSACASA-N 0 3 310.319 4.245 20 30 DIEDHN C[C@H](NCc1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000174431619 1057362013 /nfs/dbraw/zinc/36/20/13/1057362013.db2.gz RSANLYNTWHTRLK-LBPRGKRZSA-N 0 3 302.324 4.010 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cc(C)cc(C#N)c3)c(C)c2)CC1 ZINC001242476878 1057378131 /nfs/dbraw/zinc/37/81/31/1057378131.db2.gz OATDESJAESRXFD-UHFFFAOYSA-N 0 3 317.436 4.346 20 30 DIEDHN CC(C)c1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)cn1 ZINC000676459181 1057473588 /nfs/dbraw/zinc/47/35/88/1057473588.db2.gz UKWUGAQZESJLNV-MRXNPFEDSA-N 0 3 315.376 4.243 20 30 DIEDHN C[C@@H](NCc1cc(F)cc2cccnc21)c1cccc(C#N)c1 ZINC000611388504 1057594215 /nfs/dbraw/zinc/59/42/15/1057594215.db2.gz PJEQKJQFIHMHFE-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393163 1057595485 /nfs/dbraw/zinc/59/54/85/1057595485.db2.gz MBYJYWMMUJYKQF-MOPGFXCFSA-N 0 3 322.456 4.027 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000611395270 1057596624 /nfs/dbraw/zinc/59/66/24/1057596624.db2.gz ZNGXGZMWALMOSM-VQTJNVASSA-N 0 3 303.409 4.072 20 30 DIEDHN CC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000611433772 1057598943 /nfs/dbraw/zinc/59/89/43/1057598943.db2.gz SKFMNCNHEFMSJL-KRWDZBQOSA-N 0 3 324.428 4.057 20 30 DIEDHN COc1ccc(C2(N[C@@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000611471709 1057601843 /nfs/dbraw/zinc/60/18/43/1057601843.db2.gz JBAQDAUEQWIOKA-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN C=C(C)COc1cc(CN[C@@H]2CCc3ccccc32)ccc1OC ZINC000057960153 1057670911 /nfs/dbraw/zinc/67/09/11/1057670911.db2.gz TWUVWEXMAORMGO-LJQANCHMSA-N 0 3 323.436 4.427 20 30 DIEDHN N#CC1(c2ccc(-c3cc(N4CCCCC4)ccn3)cc2)CC1 ZINC001243418593 1057677874 /nfs/dbraw/zinc/67/78/74/1057677874.db2.gz BJVNTDFCGPGFEU-UHFFFAOYSA-N 0 3 303.409 4.294 20 30 DIEDHN CC(C)C1=NCCc2ccc(-c3ccc(OCC#N)cc3)cc21 ZINC001243593152 1057726877 /nfs/dbraw/zinc/72/68/77/1057726877.db2.gz CTJVZSMEMXEFKU-UHFFFAOYSA-N 0 3 304.393 4.257 20 30 DIEDHN C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000731211564 1057738159 /nfs/dbraw/zinc/73/81/59/1057738159.db2.gz ODVXNHGWOLEREW-CQSZACIVSA-N 0 3 314.816 4.435 20 30 DIEDHN CCN1CC=C(c2cnc(-c3cc(C#N)ccc3F)c(C)c2)CC1 ZINC001244558286 1057995557 /nfs/dbraw/zinc/99/55/57/1057995557.db2.gz NKAQUDFZKDOLQJ-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN CCN(CC)Cc1ccc(-c2cccc(C#N)c2F)cc1F ZINC001245072074 1058107279 /nfs/dbraw/zinc/10/72/79/1058107279.db2.gz AUOWOAGDRUWQMM-UHFFFAOYSA-N 0 3 300.352 4.345 20 30 DIEDHN N#CC(C(=O)CC1=CCCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001517127291 1058231108 /nfs/dbraw/zinc/23/11/08/1058231108.db2.gz ZNOQEBVWMGVMAA-LBPRGKRZSA-N 0 3 313.788 4.283 20 30 DIEDHN C=C[C@H](OC(=O)c1ccc(CN(CC)CC)o1)c1ccccc1 ZINC001528623055 1058469779 /nfs/dbraw/zinc/46/97/79/1058469779.db2.gz AUGZTCWLZXOVBO-KRWDZBQOSA-N 0 3 313.397 4.206 20 30 DIEDHN C=CCN(CC1CCCCC1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC001559538440 1059338867 /nfs/dbraw/zinc/33/88/67/1059338867.db2.gz YJXVOYAYNZOSTQ-CQSZACIVSA-N 0 3 305.418 4.196 20 30 DIEDHN CCCN(CCC)[C@@H](C)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247417901 1059470714 /nfs/dbraw/zinc/47/07/14/1059470714.db2.gz TZCVSKWKWVBKRP-AWEZNQCLSA-N 0 3 312.417 4.100 20 30 DIEDHN CCCCCCCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001559667191 1059495778 /nfs/dbraw/zinc/49/57/78/1059495778.db2.gz NCOFIJVAYBLDHW-UHFFFAOYSA-N 0 3 304.478 4.178 20 30 DIEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C)c(F)c1 ZINC001559680879 1059510998 /nfs/dbraw/zinc/51/09/98/1059510998.db2.gz ONYKCBSGWSWAPE-LJQANCHMSA-N 0 3 312.388 4.277 20 30 DIEDHN CCCCCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001559691942 1059520755 /nfs/dbraw/zinc/52/07/55/1059520755.db2.gz VWFNVALEEJEMMP-JKSUJKDBSA-N 0 3 312.498 4.287 20 30 DIEDHN C=CCN(CCSc1cccc(OC)c1)CCc1ccco1 ZINC001559689784 1059521068 /nfs/dbraw/zinc/52/10/68/1059521068.db2.gz XDJIISLGHJRQBS-UHFFFAOYSA-N 0 3 317.454 4.111 20 30 DIEDHN C=CCC[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC001559694815 1059522600 /nfs/dbraw/zinc/52/26/00/1059522600.db2.gz JGNLXJAKFHFYKR-IBGZPJMESA-N 0 3 318.424 4.064 20 30 DIEDHN C=C(C)[C@H](NC[C@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767131 1059603925 /nfs/dbraw/zinc/60/39/25/1059603925.db2.gz SWRNEPBRMLOGLG-OALUTQOASA-N 0 3 317.379 4.214 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001559807508 1059644565 /nfs/dbraw/zinc/64/45/65/1059644565.db2.gz GJRLGOTZGVKOTB-IBGZPJMESA-N 0 3 315.457 4.141 20 30 DIEDHN CCCCCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001559873405 1059692360 /nfs/dbraw/zinc/69/23/60/1059692360.db2.gz QLMVUWRPTJXXMN-RBUKOAKNSA-N 0 3 307.453 4.147 20 30 DIEDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879677 1059698438 /nfs/dbraw/zinc/69/84/38/1059698438.db2.gz OTARGGYTCHLLAH-CJNGLKHVSA-N 0 3 315.417 4.113 20 30 DIEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983060 1059789202 /nfs/dbraw/zinc/78/92/02/1059789202.db2.gz FPXCQRXIJFNHTN-IRXDYDNUSA-N 0 3 322.452 4.455 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCC3)C2)c(OC(F)F)c1 ZINC001560012221 1059819619 /nfs/dbraw/zinc/81/96/19/1059819619.db2.gz SWXBCIXVZXEYOC-OAHLLOKOSA-N 0 3 320.383 4.172 20 30 DIEDHN CCc1cc(C#N)ccc1CN(C)Cc1cccc2cccnc21 ZINC001248751261 1059966255 /nfs/dbraw/zinc/96/62/55/1059966255.db2.gz PRWLRPMPWRSGQK-UHFFFAOYSA-N 0 3 315.420 4.301 20 30 DIEDHN C=CCOc1ccccc1CNCc1cccc2ncccc12 ZINC001560337495 1060123327 /nfs/dbraw/zinc/12/33/27/1060123327.db2.gz KMODGOAVRBHLTB-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(C)c1)CCC2 ZINC001560404895 1060189408 /nfs/dbraw/zinc/18/94/08/1060189408.db2.gz NKECHSKTVVGUIC-FQEVSTJZSA-N 0 3 306.409 4.043 20 30 DIEDHN C=CCCOCCNCc1cc(Cl)ccc1OC1CCCC1 ZINC001560429705 1060215483 /nfs/dbraw/zinc/21/54/83/1060215483.db2.gz ZILNRKNYLVCUQF-UHFFFAOYSA-N 0 3 323.864 4.344 20 30 DIEDHN CCN(Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(C)cc1 ZINC001249430431 1060247401 /nfs/dbraw/zinc/24/74/01/1060247401.db2.gz RFIMUNBXCDCFPN-UHFFFAOYSA-N 0 3 303.409 4.370 20 30 DIEDHN N#Cc1ccc2cc(CN3CCC(c4ccccc4)CC3)[nH]c2c1 ZINC001249426773 1060248908 /nfs/dbraw/zinc/24/89/08/1060248908.db2.gz GUFGXUVTMGJOLZ-UHFFFAOYSA-N 0 3 315.420 4.419 20 30 DIEDHN CCCCCCCN(CC)Cc1cnc(Br)cn1 ZINC001249492135 1060260850 /nfs/dbraw/zinc/26/08/50/1060260850.db2.gz MMMZNOKIHZTQTM-UHFFFAOYSA-N 0 3 314.271 4.031 20 30 DIEDHN C=C(C)CNCc1ccccc1OCc1ccc(F)cc1F ZINC001560470479 1060261660 /nfs/dbraw/zinc/26/16/60/1060261660.db2.gz ZIBPTTCGYVONMQ-UHFFFAOYSA-N 0 3 303.352 4.210 20 30 DIEDHN C=CCN(Cc1nc2ccc(Br)cc2[nH]1)C(C)(C)C ZINC001249519474 1060273423 /nfs/dbraw/zinc/27/34/23/1060273423.db2.gz HBJKPTAXHKLPKS-UHFFFAOYSA-N 0 3 322.250 4.112 20 30 DIEDHN CC(C)Cc1ccccc1CNCc1cc(C#N)ccc1N(C)C ZINC001560541145 1060347721 /nfs/dbraw/zinc/34/77/21/1060347721.db2.gz MQNQSSCCBBUOLU-UHFFFAOYSA-N 0 3 321.468 4.113 20 30 DIEDHN CC1(c2ccccc2)CCN(Cc2cccc(C#N)c2F)CC1 ZINC001249694146 1060353201 /nfs/dbraw/zinc/35/32/01/1060353201.db2.gz YTJMVHNDOJPTMU-UHFFFAOYSA-N 0 3 308.400 4.251 20 30 DIEDHN C#CC1(NCc2cc(Cl)c(OCCC)c(OC)c2)CCCC1 ZINC001560569133 1060380721 /nfs/dbraw/zinc/38/07/21/1060380721.db2.gz KVBDTQGHDJZKDC-UHFFFAOYSA-N 0 3 321.848 4.173 20 30 DIEDHN C#CCN(Cc1cccc2c1CCC2)[C@H]1CCc2ccccc21 ZINC001560701490 1060557353 /nfs/dbraw/zinc/55/73/53/1060557353.db2.gz NNYPPFBKZYGWTP-QFIPXVFZSA-N 0 3 301.433 4.298 20 30 DIEDHN COc1cc(CN2Cc3cccc(C)c3CC2(C)C)ccc1C#N ZINC001560847757 1060705010 /nfs/dbraw/zinc/70/50/10/1060705010.db2.gz VAMKXVWQOHTMMN-UHFFFAOYSA-N 0 3 320.436 4.212 20 30 DIEDHN C#C[C@H](NCc1cc2cc(Br)ccc2o1)C(C)(C)C ZINC001560863590 1060723065 /nfs/dbraw/zinc/72/30/65/1060723065.db2.gz XNHPZDKLGQLBEU-HNNXBMFYSA-N 0 3 320.230 4.333 20 30 DIEDHN N#Cc1cc(CN[C@@H]2C[C@H]2c2c(F)cccc2Cl)cs1 ZINC001560879623 1060740768 /nfs/dbraw/zinc/74/07/68/1060740768.db2.gz GTZQNMXOCDCDHC-BXUZGUMPSA-N 0 3 306.793 4.058 20 30 DIEDHN Cc1cc(CNCc2ccc(C#N)c(F)c2)ccc1C(F)(F)F ZINC001560886430 1060748018 /nfs/dbraw/zinc/74/80/18/1060748018.db2.gz BWRZABYXLSWSTL-UHFFFAOYSA-N 0 3 322.305 4.314 20 30 DIEDHN C[C@]1(Cc2ccccc2F)CCCN1CC#Cc1ccccc1 ZINC001560901382 1060764075 /nfs/dbraw/zinc/76/40/75/1060764075.db2.gz RGWOEKMIFHVYJG-OAQYLSRUSA-N 0 3 307.412 4.274 20 30 DIEDHN C=CC(C)(C)CCCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC001560996940 1060855954 /nfs/dbraw/zinc/85/59/54/1060855954.db2.gz GJPLPRLILKQJOJ-UHFFFAOYSA-N 0 3 323.790 4.174 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC001462194788 1061017550 /nfs/dbraw/zinc/01/75/50/1061017550.db2.gz YGKQDKAWEYBJII-UHFFFAOYSA-N 0 3 306.409 4.145 20 30 DIEDHN CCCCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259687 1061034944 /nfs/dbraw/zinc/03/49/44/1061034944.db2.gz LKGYICDZEGTEHV-CVEARBPZSA-N 0 3 306.475 4.035 20 30 DIEDHN C=CCN(CCc1ccco1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001473319490 1061085470 /nfs/dbraw/zinc/08/54/70/1061085470.db2.gz UXHHMGKKAFXMDU-PMACEKPBSA-N 0 3 311.425 4.230 20 30 DIEDHN C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001473336121 1061093692 /nfs/dbraw/zinc/09/36/92/1061093692.db2.gz AEUZFCGRXFYGGB-AWEZNQCLSA-N 0 3 319.326 4.288 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001462366079 1061130393 /nfs/dbraw/zinc/13/03/93/1061130393.db2.gz VSAXZMNMUFINBP-GJZGRUSLSA-N 0 3 306.409 4.075 20 30 DIEDHN CCCCCCCCC(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001455686517 1061232034 /nfs/dbraw/zinc/23/20/34/1061232034.db2.gz FLDRMTWEHVAENH-KRWDZBQOSA-N 0 3 308.510 4.212 20 30 DIEDHN CC(C)Oc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC001462543377 1061252075 /nfs/dbraw/zinc/25/20/75/1061252075.db2.gz CRHRSCFZBPYMCZ-CZUORRHYSA-N 0 3 306.837 4.299 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](C3CCCC3)C2)c(OC(F)F)c1 ZINC001473567777 1061254203 /nfs/dbraw/zinc/25/42/03/1061254203.db2.gz YBSOUMJLSRMUKV-HNNXBMFYSA-N 0 3 320.383 4.172 20 30 DIEDHN Cc1cccc(C)c1CN(Cc1cc(C#N)ccn1)CC(C)C ZINC001473577854 1061266289 /nfs/dbraw/zinc/26/62/89/1061266289.db2.gz MGYPSHOMRAPFSE-UHFFFAOYSA-N 0 3 307.441 4.228 20 30 DIEDHN C#CC1CCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC001473580944 1061271815 /nfs/dbraw/zinc/27/18/15/1061271815.db2.gz BWNPUHROIAOVBH-UHFFFAOYSA-N 0 3 323.436 4.070 20 30 DIEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C2CCC2)cc1F ZINC001473812599 1061420093 /nfs/dbraw/zinc/42/00/93/1061420093.db2.gz CBLKKPHGXITSTB-UHFFFAOYSA-N 0 3 312.363 4.391 20 30 DIEDHN CC1(C)CN(Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCC[C@@H]21 ZINC001473863127 1061438871 /nfs/dbraw/zinc/43/88/71/1061438871.db2.gz SZSAZKKVURRSSJ-JKSUJKDBSA-N 0 3 318.848 4.253 20 30 DIEDHN C=CCNCc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001473918570 1061468044 /nfs/dbraw/zinc/46/80/44/1061468044.db2.gz BCYFORAXNYUVTJ-UHFFFAOYSA-N 0 3 303.837 4.099 20 30 DIEDHN C[C@H](NCc1ccc(C(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC001473962972 1061503390 /nfs/dbraw/zinc/50/33/90/1061503390.db2.gz CTYYVEFKBAKPGH-NSHDSACASA-N 0 3 304.315 4.486 20 30 DIEDHN CCCCCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001457796353 1061504161 /nfs/dbraw/zinc/50/41/61/1061504161.db2.gz MHANEEHRICQQMR-LJQANCHMSA-N 0 3 316.489 4.080 20 30 DIEDHN C=CCOc1cccc(CNCc2ccc(F)c(Cl)c2)c1 ZINC001473970751 1061516812 /nfs/dbraw/zinc/51/68/12/1061516812.db2.gz FMNFZVKHGHCWQA-UHFFFAOYSA-N 0 3 305.780 4.334 20 30 DIEDHN C=CCOc1cccc(CN[C@H]2CSCc3ccccc32)c1 ZINC001473993396 1061536811 /nfs/dbraw/zinc/53/68/11/1061536811.db2.gz XCYFCCDOACOWLJ-IBGZPJMESA-N 0 3 311.450 4.329 20 30 DIEDHN CCCCCCCC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC001252128218 1061584069 /nfs/dbraw/zinc/58/40/69/1061584069.db2.gz KLGDATYSCUFCFY-LSDHHAIUSA-N 0 3 309.416 4.372 20 30 DIEDHN CCCCCCCC[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC001252128215 1061585949 /nfs/dbraw/zinc/58/59/49/1061585949.db2.gz KLGDATYSCUFCFY-CABCVRRESA-N 0 3 309.416 4.372 20 30 DIEDHN CCCCCCCC[C@@H](O)CN[C@@H](C)c1nc2ccccc2[nH]1 ZINC001252131434 1061589944 /nfs/dbraw/zinc/58/99/44/1061589944.db2.gz NPDCYLHECWXMDJ-JKSUJKDBSA-N 0 3 317.477 4.325 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1cc2ccccc2cn1 ZINC001252137609 1061595940 /nfs/dbraw/zinc/59/59/40/1061595940.db2.gz ZJXHFENIUJFTRJ-FQEVSTJZSA-N 0 3 314.473 4.436 20 30 DIEDHN CCCCCCCC[C@H](O)CNCc1cnc(C(C)C)s1 ZINC001252140273 1061601073 /nfs/dbraw/zinc/60/10/73/1061601073.db2.gz OOITUGLVXMNDQG-HNNXBMFYSA-N 0 3 312.523 4.468 20 30 DIEDHN C#CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC001474075580 1061621522 /nfs/dbraw/zinc/62/15/22/1061621522.db2.gz QWJITABKUWXWBU-IBGZPJMESA-N 0 3 302.421 4.341 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C)c(F)c1 ZINC001474094507 1061639778 /nfs/dbraw/zinc/63/97/78/1061639778.db2.gz PDPBJIDLJRYHKW-SFHVURJKSA-N 0 3 312.388 4.255 20 30 DIEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1Oc1ccccc1 ZINC001252602687 1061673548 /nfs/dbraw/zinc/67/35/48/1061673548.db2.gz FADMAULIQAPHFC-GOSISDBHSA-N 0 3 311.425 4.238 20 30 DIEDHN C=CC[C@H](CO)NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001474129823 1061675808 /nfs/dbraw/zinc/67/58/08/1061675808.db2.gz XBRXYKVAEDLIML-QGZVFWFLSA-N 0 3 313.441 4.271 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cc(F)ccn1 ZINC001252984876 1061774995 /nfs/dbraw/zinc/77/49/95/1061774995.db2.gz BCLOAYKCKQENHN-GOSISDBHSA-N 0 3 310.457 4.202 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1ccnc(F)c1 ZINC001252987517 1061781115 /nfs/dbraw/zinc/78/11/15/1061781115.db2.gz UNSJITLHRFPSTR-KRWDZBQOSA-N 0 3 310.457 4.202 20 30 DIEDHN Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1C#N ZINC001474263445 1061831030 /nfs/dbraw/zinc/83/10/30/1061831030.db2.gz YJNZIAUQHWAYHH-UHFFFAOYSA-N 0 3 304.315 4.175 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H](C)c1nc2ccccc2[nH]1 ZINC001253245635 1061847834 /nfs/dbraw/zinc/84/78/34/1061847834.db2.gz ADJTYDRZUBFPOS-HOTGVXAUSA-N 0 3 315.461 4.101 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@H]1CCOc2ccc(F)cc21 ZINC001253247475 1061851932 /nfs/dbraw/zinc/85/19/32/1061851932.db2.gz ZNPYDQFNHCKRSF-WMZOPIPTSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H](C)c1ccc(OC)cc1F ZINC001253252239 1061853182 /nfs/dbraw/zinc/85/31/82/1061853182.db2.gz SWFWIAJFPDBXKW-HOTGVXAUSA-N 0 3 323.452 4.372 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1cc2ccccc2cn1 ZINC001253250339 1061854147 /nfs/dbraw/zinc/85/41/47/1061854147.db2.gz XHZAYZPGCSYWAJ-HXUWFJFHSA-N 0 3 312.457 4.212 20 30 DIEDHN C=CCCCCCC[C@H](O)CNC1(c2ccccc2F)CC1 ZINC001253252723 1061855251 /nfs/dbraw/zinc/85/52/51/1061855251.db2.gz ZXGTYPRBJVGYBL-INIZCTEOSA-N 0 3 305.437 4.292 20 30 DIEDHN C=CCCCCCC[C@H](O)CN[C@@H](c1cccnc1F)C1CC1 ZINC001253255397 1061857457 /nfs/dbraw/zinc/85/74/57/1061857457.db2.gz YGQLBEPISADLPM-FUHWJXTLSA-N 0 3 320.452 4.149 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H](C)c1cccc(F)c1OC ZINC001253257184 1061859453 /nfs/dbraw/zinc/85/94/53/1061859453.db2.gz OHRRKEZLFROQFP-HZPDHXFCSA-N 0 3 323.452 4.372 20 30 DIEDHN CC[C@@H](CC#N)NCC(C)(C)c1ccc(Br)cc1 ZINC001474294690 1061864623 /nfs/dbraw/zinc/86/46/23/1061864623.db2.gz SASFHFGJESUTEC-AWEZNQCLSA-N 0 3 309.251 4.009 20 30 DIEDHN COc1cc(C)ccc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC001474320089 1061897486 /nfs/dbraw/zinc/89/74/86/1061897486.db2.gz VXNYGHCCDPDCPK-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2CC[C@H](CC)C2)cc1OC ZINC001474331788 1061924007 /nfs/dbraw/zinc/92/40/07/1061924007.db2.gz WEFFVKIZJZQTAI-ZDUSSCGKSA-N 0 3 309.837 4.145 20 30 DIEDHN CCCCCCCCCCCC[C@@H](O)CNCc1cncnc1 ZINC001253563316 1061928696 /nfs/dbraw/zinc/92/86/96/1061928696.db2.gz CLECMWXRTMKHBQ-LJQANCHMSA-N 0 3 321.509 4.238 20 30 DIEDHN CCCCCCCCCCCC[C@@H](O)CNCc1ccncn1 ZINC001253565413 1061929730 /nfs/dbraw/zinc/92/97/30/1061929730.db2.gz MWAKFFKTVKUMCO-LJQANCHMSA-N 0 3 321.509 4.238 20 30 DIEDHN COc1ccc(C[C@H](C)CN(CCC#N)CC(C)(C)C)cc1F ZINC001474339923 1061933146 /nfs/dbraw/zinc/93/31/46/1061933146.db2.gz RGRZTMREMDVBSR-HNNXBMFYSA-N 0 3 320.452 4.275 20 30 DIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc2c1OCC2 ZINC001474363095 1061994053 /nfs/dbraw/zinc/99/40/53/1061994053.db2.gz ZDZASXKSQDQJRB-UHFFFAOYSA-N 0 3 320.436 4.151 20 30 DIEDHN CCN(Cc1cccn1C(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC001474369018 1062004875 /nfs/dbraw/zinc/00/48/75/1062004875.db2.gz BAEQGMGRFGXXOI-ZDUSSCGKSA-N 0 3 303.356 4.338 20 30 DIEDHN N#CCOc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001254109850 1062027155 /nfs/dbraw/zinc/02/71/55/1062027155.db2.gz JQTZZYTZEPIAGL-GOSISDBHSA-N 0 3 312.800 4.019 20 30 DIEDHN N#Cc1ccc(CN(C/C=C/c2ccc(F)cc2)C2CC2)cc1 ZINC001474390238 1062040317 /nfs/dbraw/zinc/04/03/17/1062040317.db2.gz UBPQEPLHYGQDGJ-OWOJBTEDSA-N 0 3 306.384 4.375 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC001459339706 1062097735 /nfs/dbraw/zinc/09/77/35/1062097735.db2.gz AEQZARQLVHDIKR-IBGZPJMESA-N 0 3 315.457 4.175 20 30 DIEDHN C=C(C)[C@H](N[C@H]1C[C@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450716 1062130231 /nfs/dbraw/zinc/13/02/31/1062130231.db2.gz VUIJQXADAKWYBK-ULQDDVLXSA-N 0 3 307.384 4.129 20 30 DIEDHN Fc1ccc(C#CCN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001459502548 1062168414 /nfs/dbraw/zinc/16/84/14/1062168414.db2.gz MBXRQFQMBNSWIJ-UHFFFAOYSA-N 0 3 311.375 4.229 20 30 DIEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001459496245 1062170193 /nfs/dbraw/zinc/17/01/93/1062170193.db2.gz YYTGKZIWMRYHKO-CYBMUJFWSA-N 0 3 308.372 4.172 20 30 DIEDHN C=CC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001474528890 1062212387 /nfs/dbraw/zinc/21/23/87/1062212387.db2.gz ZGQVHJBUEHNRMV-UHFFFAOYSA-N 0 3 311.425 4.273 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665925 1062222219 /nfs/dbraw/zinc/22/22/19/1062222219.db2.gz RQJDPULKQXITLG-OCCSQVGLSA-N 0 3 322.811 4.015 20 30 DIEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665924 1062223740 /nfs/dbraw/zinc/22/37/40/1062223740.db2.gz RQJDPULKQXITLG-JSGCOSHPSA-N 0 3 322.811 4.015 20 30 DIEDHN C#C[C@@H](NC1CCC(OC2CCCC2)CC1)c1ccc(F)cc1 ZINC001474544510 1062238720 /nfs/dbraw/zinc/23/87/20/1062238720.db2.gz PWQKGKIXGHWVRL-LYBXBRPPSA-N 0 3 315.432 4.360 20 30 DIEDHN Cc1ccc(C(C)(C)CNCc2cccc(F)c2C#N)c(C)c1 ZINC001474546434 1062241857 /nfs/dbraw/zinc/24/18/57/1062241857.db2.gz ZNNUCEYWRDPVEX-UHFFFAOYSA-N 0 3 310.416 4.382 20 30 DIEDHN N#CCCN([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C1CCCCCCC1 ZINC001254950334 1062290046 /nfs/dbraw/zinc/29/00/46/1062290046.db2.gz FBIUTCITOWAPSG-VQFNDLOPSA-N 0 3 302.462 4.073 20 30 DIEDHN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 ZINC001459673576 1062295414 /nfs/dbraw/zinc/29/54/14/1062295414.db2.gz VMCBACXNKMUBTH-HNAYVOBHSA-N 0 3 308.400 4.323 20 30 DIEDHN C#CCCCCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC001459693217 1062311855 /nfs/dbraw/zinc/31/18/55/1062311855.db2.gz NRLMEVDLGBXHLV-OAQYLSRUSA-N 0 3 306.453 4.477 20 30 DIEDHN N#Cc1cc(CN2CCC3(CCc4ccccc4C3)CC2)cs1 ZINC001474613054 1062329570 /nfs/dbraw/zinc/32/95/70/1062329570.db2.gz VVYITQDUAWDOSN-UHFFFAOYSA-N 0 3 322.477 4.391 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001474619070 1062339669 /nfs/dbraw/zinc/33/96/69/1062339669.db2.gz MMZZGRLKUUSOAB-ZDUSSCGKSA-N 0 3 309.837 4.145 20 30 DIEDHN C=CC[C@H]1CCN(Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001474648234 1062377029 /nfs/dbraw/zinc/37/70/29/1062377029.db2.gz ZWSGEORSQBFEER-AWEZNQCLSA-N 0 3 314.454 4.217 20 30 DIEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839340 1062438193 /nfs/dbraw/zinc/43/81/93/1062438193.db2.gz HDSCCBZQVLRIRN-HZPDHXFCSA-N 0 3 303.446 4.183 20 30 DIEDHN C#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC001474730969 1062451494 /nfs/dbraw/zinc/45/14/94/1062451494.db2.gz AZTRPMAGSSNMPK-GOSISDBHSA-N 0 3 324.855 4.398 20 30 DIEDHN N#CCC1(CN[C@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC001459882144 1062468474 /nfs/dbraw/zinc/46/84/74/1062468474.db2.gz GWTRSTQVGXMUKW-LJQANCHMSA-N 0 3 308.400 4.393 20 30 DIEDHN CCCCCCCCN1CCN(Cc2cccc(F)c2)CC1 ZINC001459882801 1062469161 /nfs/dbraw/zinc/46/91/61/1062469161.db2.gz OGEXLBPTQJXNEH-UHFFFAOYSA-N 0 3 306.469 4.304 20 30 DIEDHN C[C@@H](CC(F)(F)F)NCc1cc(F)ccc1C(F)(F)F ZINC001255636096 1062492374 /nfs/dbraw/zinc/49/23/74/1062492374.db2.gz KVLOPHJOBUEOLO-ZETCQYMHSA-N 0 3 303.221 4.275 20 30 DIEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)cc(Cl)c1F ZINC001460029724 1062573079 /nfs/dbraw/zinc/57/30/79/1062573079.db2.gz AYPSXGMGSORWET-UHFFFAOYSA-N 0 3 319.251 4.072 20 30 DIEDHN N=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001256107263 1062705867 /nfs/dbraw/zinc/70/58/67/1062705867.db2.gz PNZPOWUAHVITER-GOEBONIOSA-N 0 3 313.832 4.167 20 30 DIEDHN C[C@H](Cc1cccc(Br)c1)N1CCC(CC#N)CC1 ZINC001256188463 1062744494 /nfs/dbraw/zinc/74/44/94/1062744494.db2.gz SMVRZTKGMDPHON-CYBMUJFWSA-N 0 3 321.262 4.006 20 30 DIEDHN C[C@H](Cc1cccc(Br)c1)NC1(CC#N)CCCC1 ZINC001256188103 1062747836 /nfs/dbraw/zinc/74/78/36/1062747836.db2.gz ZQAAZXHSTSNYAF-CYBMUJFWSA-N 0 3 321.262 4.196 20 30 DIEDHN CC1(C)c2ccccc2CCN1CCCOc1cccc(C#N)c1 ZINC001460280717 1062753161 /nfs/dbraw/zinc/75/31/61/1062753161.db2.gz VKKKZPDEOXLPIX-UHFFFAOYSA-N 0 3 320.436 4.121 20 30 DIEDHN C=CCC[C@H]1CCCN1CCOc1ccccc1Br ZINC001460887437 1063118125 /nfs/dbraw/zinc/11/81/25/1063118125.db2.gz SPVXVEXJFGZKEB-AWEZNQCLSA-N 0 3 324.262 4.259 20 30 DIEDHN C#CCC1(NCc2coc(-c3cccc(OC)c3)n2)CCCCC1 ZINC001460830506 1063088140 /nfs/dbraw/zinc/08/81/40/1063088140.db2.gz QEMXAEFAQVOSCC-UHFFFAOYSA-N 0 3 324.424 4.166 20 30 DIEDHN C#CCC1(NCc2c(F)cccc2Br)CCCCC1 ZINC001460833994 1063091781 /nfs/dbraw/zinc/09/17/81/1063091781.db2.gz ZYZOGGSHDVIBRO-UHFFFAOYSA-N 0 3 324.237 4.404 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC001460887475 1063118238 /nfs/dbraw/zinc/11/82/38/1063118238.db2.gz VGLNUANUESEOKO-OAHLLOKOSA-N 0 3 319.246 4.251 20 30 DIEDHN C=CCCCN(CC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC001460903522 1063126501 /nfs/dbraw/zinc/12/65/01/1063126501.db2.gz XFYWBEHNIGSBCW-UHFFFAOYSA-N 0 3 308.853 4.183 20 30 DIEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275366 1063178086 /nfs/dbraw/zinc/17/80/86/1063178086.db2.gz RVOLFINNHDZXQJ-KXBFYZLASA-N 0 3 310.441 4.451 20 30 DIEDHN CCCCCCCCCC[C@@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC001257550259 1063331910 /nfs/dbraw/zinc/33/19/10/1063331910.db2.gz LRHWGKRPIUATCM-UXHICEINSA-N 0 3 324.553 4.312 20 30 DIEDHN CCc1ccccc1CNCc1cccc(O[C@@H](C#N)CC)c1 ZINC001461221483 1063344263 /nfs/dbraw/zinc/34/42/63/1063344263.db2.gz XYFZWNNBMKJXAS-LJQANCHMSA-N 0 3 308.425 4.220 20 30 DIEDHN CCCCCCC[C@H](C)n1nc(-c2ccncc2)cc1CN ZINC001258041052 1063472513 /nfs/dbraw/zinc/47/25/13/1063472513.db2.gz KVFBITUZGLUYSA-HNNXBMFYSA-N 0 3 300.450 4.325 20 30 DIEDHN CCCCCCC[C@H](C)NCc1nccn1CC(F)(F)F ZINC001258041262 1063472634 /nfs/dbraw/zinc/47/26/34/1063472634.db2.gz QTNQZTSAFGIFQS-ZDUSSCGKSA-N 0 3 305.388 4.284 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cn(Cc2ccccn2)cn1 ZINC001258043272 1063475157 /nfs/dbraw/zinc/47/51/57/1063475157.db2.gz NMAJFHBKKLXVBT-QGZVFWFLSA-N 0 3 314.477 4.165 20 30 DIEDHN CCCCCCC[C@@H](C)n1nc(CN)c2cc(OC)ccc21 ZINC001258043068 1063475762 /nfs/dbraw/zinc/47/57/62/1063475762.db2.gz IMASGZJGROZCCL-CQSZACIVSA-N 0 3 303.450 4.425 20 30 DIEDHN CCCCCCC[C@H](C)NCc1cn(Cc2ccncc2)cn1 ZINC001258044097 1063477927 /nfs/dbraw/zinc/47/79/27/1063477927.db2.gz XKTXOYAVENSUJY-KRWDZBQOSA-N 0 3 314.477 4.165 20 30 DIEDHN CCCCCCCCCCC[C@@H](C)[NH2+]CCCc1c[n-][nH]c1=O ZINC001258053262 1063485692 /nfs/dbraw/zinc/48/56/92/1063485692.db2.gz XWQMZKZHGBWLHC-MSOLQXFVSA-N 0 3 323.525 4.397 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(OC)c(OCC(C)C)c2)cc1 ZINC001461515335 1063548864 /nfs/dbraw/zinc/54/88/64/1063548864.db2.gz VLJCBMIESDDZFW-UHFFFAOYSA-N 0 3 323.436 4.001 20 30 DIEDHN C[C@@H](CC(C)(C)SCc1ccco1)N1CC[C@](C)(C#N)C1 ZINC001258315085 1063606498 /nfs/dbraw/zinc/60/64/98/1063606498.db2.gz ATHOHZGCBDRKFC-WMLDXEAASA-N 0 3 306.475 4.306 20 30 DIEDHN CC1(CCC(=O)C(C#N)C(=O)Nc2cccc3ccccc32)CC1 ZINC001515358767 1063673355 /nfs/dbraw/zinc/67/33/55/1063673355.db2.gz LZOZJLAEDTYFLP-MRXNPFEDSA-N 0 3 320.392 4.067 20 30 DIEDHN C=CCC[C@H](C)N1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001258725373 1063779815 /nfs/dbraw/zinc/77/98/15/1063779815.db2.gz KRTFNIXMGXLJAU-ROUUACIJSA-N 0 3 314.473 4.451 20 30 DIEDHN C=CCC[C@@H](C)N(C)Cc1cccc(Br)c1F ZINC001258735569 1063784868 /nfs/dbraw/zinc/78/48/68/1063784868.db2.gz WRDKVHCLCHFNQL-LLVKDONJSA-N 0 3 300.215 4.375 20 30 DIEDHN N#Cc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cs1 ZINC001461986707 1063859975 /nfs/dbraw/zinc/85/99/75/1063859975.db2.gz LWBKCZQHLFNTAC-UHFFFAOYSA-N 0 3 312.438 4.270 20 30 DIEDHN N#Cc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cs1 ZINC001461986707 1063859985 /nfs/dbraw/zinc/85/99/85/1063859985.db2.gz LWBKCZQHLFNTAC-UHFFFAOYSA-N 0 3 312.438 4.270 20 30 DIEDHN C#Cc1ccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC001461997647 1063870569 /nfs/dbraw/zinc/87/05/69/1063870569.db2.gz GPVQDMIPCMVYPD-UHFFFAOYSA-N 0 3 312.416 4.439 20 30 DIEDHN C=CCC(C)(C)CNCc1c(F)ccc(Br)c1F ZINC000386793883 1064059545 /nfs/dbraw/zinc/05/95/45/1064059545.db2.gz LTNAEDYKOGWQMJ-UHFFFAOYSA-N 0 3 318.205 4.419 20 30 DIEDHN C=CCCCCCCN1CC2(C1)CN(CCCC(F)(F)F)C2 ZINC001279271826 1064340348 /nfs/dbraw/zinc/34/03/48/1064340348.db2.gz TXCSTTCFVGHDOT-UHFFFAOYSA-N 0 3 318.427 4.083 20 30 DIEDHN CCCCCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC001293769629 1064830021 /nfs/dbraw/zinc/83/00/21/1064830021.db2.gz BDDCAEHJEGEDMD-UHFFFAOYSA-N 0 3 316.489 4.476 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC001307431038 1065390435 /nfs/dbraw/zinc/39/04/35/1065390435.db2.gz DCGKSWOMTMPWFG-CQSZACIVSA-N 0 3 316.857 4.480 20 30 DIEDHN CCCCN(CCCC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001307504028 1065445879 /nfs/dbraw/zinc/44/58/79/1065445879.db2.gz BNFSYFVBGDTODU-UHFFFAOYSA-N 0 3 321.490 4.077 20 30 DIEDHN COc1ccccc1C(C)(C)NCc1c(C)cc(C#N)cc1C ZINC001307577155 1065491595 /nfs/dbraw/zinc/49/15/95/1065491595.db2.gz HSIJMTSBPKMCKG-UHFFFAOYSA-N 0 3 308.425 4.209 20 30 DIEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC001307696770 1065568521 /nfs/dbraw/zinc/56/85/21/1065568521.db2.gz AIZNVNUDXRRMHW-HOTGVXAUSA-N 0 3 308.878 4.366 20 30 DIEDHN Cc1cc(C)c2c(c1)CN(CCCOc1cccc(C#N)c1)CC2 ZINC001307697953 1065570068 /nfs/dbraw/zinc/57/00/68/1065570068.db2.gz WTNACGXWKRSCNE-UHFFFAOYSA-N 0 3 320.436 4.002 20 30 DIEDHN C=C(C)[C@H](NCCSC(F)(F)F)c1ccc(F)c(F)c1 ZINC001307700177 1065570785 /nfs/dbraw/zinc/57/07/85/1065570785.db2.gz ZSSIRZGVLKUFIZ-LBPRGKRZSA-N 0 3 311.319 4.425 20 30 DIEDHN Cc1ccc2c(c1)CN(CCOc1ccccc1C#N)C(C)(C)C2 ZINC001307795004 1065624127 /nfs/dbraw/zinc/62/41/27/1065624127.db2.gz SASAJQBOICKJCG-UHFFFAOYSA-N 0 3 320.436 4.082 20 30 DIEDHN C=C(Br)CN1CCC[C@]1(CC)Cc1ccccc1 ZINC001307919773 1065679845 /nfs/dbraw/zinc/67/98/45/1065679845.db2.gz XEIWFMKEELSNEU-MRXNPFEDSA-N 0 3 308.263 4.382 20 30 DIEDHN CC(C)(C)CN(CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC001307955129 1065698853 /nfs/dbraw/zinc/69/88/53/1065698853.db2.gz QECSNFOMILGVQZ-UHFFFAOYSA-N 0 3 322.493 4.006 20 30 DIEDHN C#CCC1(NCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001308104878 1065765892 /nfs/dbraw/zinc/76/58/92/1065765892.db2.gz HYCPSLABYIGDIB-UHFFFAOYSA-N 0 3 306.793 4.064 20 30 DIEDHN N#Cc1ccccc1OCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC001308119732 1065770508 /nfs/dbraw/zinc/77/05/08/1065770508.db2.gz FGSXVMDICXUYSA-CBUFDYBVSA-N 0 3 318.420 4.115 20 30 DIEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC001308119734 1065771359 /nfs/dbraw/zinc/77/13/59/1065771359.db2.gz FGSXVMDICXUYSA-DRUFCSCSSA-N 0 3 318.420 4.115 20 30 DIEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC001308133344 1065772824 /nfs/dbraw/zinc/77/28/24/1065772824.db2.gz DMBNWPVVNMENJX-CQSZACIVSA-N 0 3 308.853 4.264 20 30 DIEDHN C=CCC[C@@H]1CCCN1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001308138124 1065775145 /nfs/dbraw/zinc/77/51/45/1065775145.db2.gz WFBSHALJIYDRLT-OAHLLOKOSA-N 0 3 315.392 4.115 20 30 DIEDHN C#C[C@H]1CCCCN1Cc1ccc(OCc2ccccc2)cc1 ZINC001308142043 1065778595 /nfs/dbraw/zinc/77/85/95/1065778595.db2.gz OQHJVQWIVFURRY-FQEVSTJZSA-N 0 3 305.421 4.253 20 30 DIEDHN C=CC[C@H]1CC[C@@H](NCc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209966 1065818120 /nfs/dbraw/zinc/81/81/20/1065818120.db2.gz OYRITKMCUJJRTB-DLBZAZTESA-N 0 3 321.468 4.195 20 30 DIEDHN C=CCCC[C@@H](C)NCc1ncc(Br)cc1Cl ZINC001308345367 1065930117 /nfs/dbraw/zinc/93/01/17/1065930117.db2.gz DNPHFVHWYWNZTD-SNVBAGLBSA-N 0 3 317.658 4.332 20 30 DIEDHN CC(C)(CC#N)CNCc1cc(Cl)cc(Br)c1 ZINC001308432449 1065983203 /nfs/dbraw/zinc/98/32/03/1065983203.db2.gz KNQOAMTUKHZRAR-UHFFFAOYSA-N 0 3 315.642 4.132 20 30 DIEDHN C=CC(C)(C)CCCNCc1cc(O)ccc1Br ZINC001308510417 1066037570 /nfs/dbraw/zinc/03/75/70/1066037570.db2.gz SVCOAJODJXUWLG-UHFFFAOYSA-N 0 3 312.251 4.237 20 30 DIEDHN Cc1ccc(CNCc2ccc(C(F)(F)F)c(C)c2)cc1C#N ZINC001308517490 1066040995 /nfs/dbraw/zinc/04/09/95/1066040995.db2.gz GVORADXWUYHNOC-UHFFFAOYSA-N 0 3 318.342 4.484 20 30 DIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC001308639470 1066132441 /nfs/dbraw/zinc/13/24/41/1066132441.db2.gz QRMRZIRSIIJRIZ-UHFFFAOYSA-N 0 3 306.409 4.040 20 30 DIEDHN C#C[C@H](NCc1cnn(C2CCCC2)c1-c1ccccc1)C(C)C ZINC001308751627 1066225122 /nfs/dbraw/zinc/22/51/22/1066225122.db2.gz VXRNTJAAGWZPLC-FQEVSTJZSA-N 0 3 321.468 4.413 20 30 DIEDHN C#C[C@H](N[C@@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786112 1066261644 /nfs/dbraw/zinc/26/16/44/1066261644.db2.gz JAWHSOGBJMEREH-KSSFIOAISA-N 0 3 313.441 4.443 20 30 DIEDHN Fc1cccc(F)c1C1(CNCC#Cc2ccccc2)CCC1 ZINC001308819892 1066293466 /nfs/dbraw/zinc/29/34/66/1066293466.db2.gz MYTMFIUSSWTSDG-UHFFFAOYSA-N 0 3 311.375 4.028 20 30 DIEDHN C=CC[C@@H]1CCCN(Cc2sccc2Br)C1 ZINC001308855228 1066337140 /nfs/dbraw/zinc/33/71/40/1066337140.db2.gz LVKAALIXSRKMGU-LLVKDONJSA-N 0 3 300.265 4.299 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000287540509 335044662 /nfs/dbraw/zinc/04/46/62/335044662.db2.gz PHOXVACJWBWIHO-HNNXBMFYSA-N 0 3 324.424 4.061 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121838153 195359302 /nfs/dbraw/zinc/35/93/02/195359302.db2.gz PXHHWSXBRBRTIB-KDOFPFPSSA-N 0 3 324.424 4.377 20 30 DIEDHN C[C@H](NCc1ccc2c(c1)COC(C)(C)O2)c1ccc(C#N)cc1 ZINC000274400609 130231742 /nfs/dbraw/zinc/23/17/42/130231742.db2.gz SEVFCSYASHIOID-AWEZNQCLSA-N 0 3 322.408 4.054 20 30 DIEDHN COc1cc(CN[C@H](C)c2cccc(OC(C)C)c2)ccc1C#N ZINC000281615494 130873992 /nfs/dbraw/zinc/87/39/92/130873992.db2.gz GYICSFPIWVDYGF-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN COCc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848422 132160506 /nfs/dbraw/zinc/16/05/06/132160506.db2.gz SEIACKTXFHMBID-LSDHHAIUSA-N 0 3 324.424 4.125 20 30 DIEDHN C#CC[C@H](N[C@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156994 335069519 /nfs/dbraw/zinc/06/95/19/335069519.db2.gz DAPHYPGJDVTSPU-ROUUACIJSA-N 0 3 309.384 4.176 20 30 DIEDHN C=C(C)CN1CCC(Nc2nc3cccc(C)c3s2)CC1 ZINC000479990354 435359984 /nfs/dbraw/zinc/35/99/84/435359984.db2.gz MHBCSJFIWNSSQN-UHFFFAOYSA-N 0 3 301.459 4.057 20 30 DIEDHN Cc1cccc(N2CCN(CCCCC(C)(C)C#N)CC2)c1C ZINC000322975464 331578356 /nfs/dbraw/zinc/57/83/56/331578356.db2.gz XXTBVGXMXCGJAK-UHFFFAOYSA-N 0 3 313.489 4.146 20 30 DIEDHN C=CCC[C@H](NCc1c(F)cccc1N1CCCC1)C1CC1 ZINC000556913610 331752865 /nfs/dbraw/zinc/75/28/65/331752865.db2.gz UVPNESQXUWFWPK-SFHVURJKSA-N 0 3 302.437 4.260 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2sc(C)nc2C)cc1 ZINC000040445863 331909993 /nfs/dbraw/zinc/90/99/93/331909993.db2.gz PRXDMMRKXUKLKK-LBPRGKRZSA-N 0 3 302.443 4.176 20 30 DIEDHN C[C@@H](NCC1CCC(C#N)CC1)c1ncc(-c2ccccc2)n1C ZINC000517865203 331975052 /nfs/dbraw/zinc/97/50/52/331975052.db2.gz IYHHPHMQVMVJDG-KLAILNCOSA-N 0 3 322.456 4.068 20 30 DIEDHN C=CCOc1ccc(CNCCOc2ccccc2)cc1Cl ZINC000518268693 332003279 /nfs/dbraw/zinc/00/32/79/332003279.db2.gz QBLSHHVKLXPHDG-UHFFFAOYSA-N 0 3 317.816 4.073 20 30 DIEDHN C=CCCCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000569419823 332079331 /nfs/dbraw/zinc/07/93/31/332079331.db2.gz HJWANCAQFJXVAQ-LJQANCHMSA-N 0 3 308.425 4.312 20 30 DIEDHN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665348 332092168 /nfs/dbraw/zinc/09/21/68/332092168.db2.gz RFLBZNZDXADWDL-OXQOHEQNSA-N 0 3 307.441 4.448 20 30 DIEDHN CN(Cc1cc(Br)cs1)CC(C)(C)CCC#N ZINC000091888457 332113813 /nfs/dbraw/zinc/11/38/13/332113813.db2.gz NPJIRDYGUGEEKA-UHFFFAOYSA-N 0 3 315.280 4.272 20 30 DIEDHN Cc1cccc2oc(CCN[C@@H](C)c3ccc(C#N)cc3F)nc21 ZINC000410363386 332116534 /nfs/dbraw/zinc/11/65/34/332116534.db2.gz WJOWPKYDIHDUGS-ZDUSSCGKSA-N 0 3 323.371 4.040 20 30 DIEDHN CC(C)(CCC#N)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000093594593 332140401 /nfs/dbraw/zinc/14/04/01/332140401.db2.gz RRCRVMIZUCCCQH-INIZCTEOSA-N 0 3 316.420 4.050 20 30 DIEDHN CSCC[C@H](C)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426993574 332164778 /nfs/dbraw/zinc/16/47/78/332164778.db2.gz DAHKQLPASXXZFS-ZDUSSCGKSA-N 0 3 315.404 4.130 20 30 DIEDHN N#CCC[C@H](C#N)CNCCC(c1ccccc1)c1ccccc1 ZINC000560144328 332314569 /nfs/dbraw/zinc/31/45/69/332314569.db2.gz VRHFYXGNENXNPC-GOSISDBHSA-N 0 3 317.436 4.242 20 30 DIEDHN C[C@@H](c1ccc(Cl)cc1)N(C)CCOc1cccc(C#N)c1 ZINC000387527882 332329411 /nfs/dbraw/zinc/32/94/11/332329411.db2.gz PKDGVQZGYFNRAA-AWEZNQCLSA-N 0 3 314.816 4.283 20 30 DIEDHN C=CCC[C@@H](NC[C@@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520610 332349638 /nfs/dbraw/zinc/34/96/38/332349638.db2.gz RCFNZUIGPGBRPL-RTBURBONSA-N 0 3 312.457 4.049 20 30 DIEDHN C=CCC[C@H](NCCc1cccc(OC)c1OC)c1ccco1 ZINC000560530248 332352655 /nfs/dbraw/zinc/35/26/55/332352655.db2.gz XMBYGRRZRRNKNR-INIZCTEOSA-N 0 3 315.413 4.136 20 30 DIEDHN C=CCOc1ccc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)cc1 ZINC000560571956 332362584 /nfs/dbraw/zinc/36/25/84/332362584.db2.gz PARAPJXSCHJYTK-VLIAUNLRSA-N 0 3 311.400 4.414 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000560572776 332362857 /nfs/dbraw/zinc/36/28/57/332362857.db2.gz BXLKPTDBHSSCJG-FQEVSTJZSA-N 0 3 306.409 4.364 20 30 DIEDHN N#CCCCOc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000237778387 332389491 /nfs/dbraw/zinc/38/94/91/332389491.db2.gz ZFYZOSZUYIGVNE-UHFFFAOYSA-N 0 3 314.816 4.312 20 30 DIEDHN C=CCC[C@H](NCc1cccc(C(=O)OC)c1)c1ccccc1 ZINC000561160339 332418584 /nfs/dbraw/zinc/41/85/84/332418584.db2.gz DZUHYVLZCANLQZ-IBGZPJMESA-N 0 3 309.409 4.270 20 30 DIEDHN N#CC1(c2ccccn2)CCN(CC/C=C/c2ccccc2)CC1 ZINC000562708446 332618724 /nfs/dbraw/zinc/61/87/24/332618724.db2.gz NWNAOBFKQXGCRN-BJMVGYQFSA-N 0 3 317.436 4.042 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000569698360 332663415 /nfs/dbraw/zinc/66/34/15/332663415.db2.gz MTUNQUBHMKBXAD-UWWQBHOKSA-N 0 3 315.848 4.399 20 30 DIEDHN C=CCOc1cccc(CN2CCC(c3ccncc3)CC2)c1 ZINC000569888109 332689640 /nfs/dbraw/zinc/68/96/40/332689640.db2.gz DTOOLIFIEWWOHV-UHFFFAOYSA-N 0 3 308.425 4.026 20 30 DIEDHN C=C(C)CN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000159870050 332717611 /nfs/dbraw/zinc/71/76/11/332717611.db2.gz CRANJAKMHGZDJC-GFCCVEGCSA-N 0 3 302.443 4.354 20 30 DIEDHN C=CC[C@H](CC)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466399614 333017896 /nfs/dbraw/zinc/01/78/96/333017896.db2.gz PCHZPEOJXPMXBR-ZDUSSCGKSA-N 0 3 317.414 4.163 20 30 DIEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(OC(F)F)c1 ZINC000179578336 333025460 /nfs/dbraw/zinc/02/54/60/333025460.db2.gz YCGNTNKOROFIJT-NSHDSACASA-N 0 3 320.314 4.150 20 30 DIEDHN CC(C)Oc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768491 333054283 /nfs/dbraw/zinc/05/42/83/333054283.db2.gz NRFGZCOLDOAWKG-MRXNPFEDSA-N 0 3 324.424 4.227 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000378889603 333060411 /nfs/dbraw/zinc/06/04/11/333060411.db2.gz KJEQEJPCVBEVJU-CQSZACIVSA-N 0 3 312.369 4.010 20 30 DIEDHN COc1ccc([C@H]2CCCN2CCCC(C)(C)C#N)c(OC)c1 ZINC000174812037 333090999 /nfs/dbraw/zinc/09/09/99/333090999.db2.gz YQALULZWSJRWJR-QGZVFWFLSA-N 0 3 316.445 4.171 20 30 DIEDHN C[C@H](NCCCCC#N)c1cc(Cl)ccc1OC(F)F ZINC000178647811 333141969 /nfs/dbraw/zinc/14/19/69/333141969.db2.gz YUDPGNZIHUSTMU-JTQLQIEISA-N 0 3 302.752 4.286 20 30 DIEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000179476338 333151056 /nfs/dbraw/zinc/15/10/56/333151056.db2.gz IRFCHMKGONHUDM-GFCCVEGCSA-N 0 3 319.817 4.166 20 30 DIEDHN COc1cc([C@H](C)NCCCC#N)ccc1OCc1ccccc1 ZINC000179711911 333154855 /nfs/dbraw/zinc/15/48/55/333154855.db2.gz FQXHOEIGKABNHC-INIZCTEOSA-N 0 3 324.424 4.229 20 30 DIEDHN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542579 333162878 /nfs/dbraw/zinc/16/28/78/333162878.db2.gz KFPFLLPEEYTQMZ-YJYMSZOUSA-N 0 3 310.372 4.066 20 30 DIEDHN N#CC1CCN(CC/C=C\c2ccc(Br)cc2)CC1 ZINC000522712552 333173115 /nfs/dbraw/zinc/17/31/15/333173115.db2.gz WVNFUTSJUQOGNY-IWQZZHSRSA-N 0 3 319.246 4.088 20 30 DIEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779512 333213864 /nfs/dbraw/zinc/21/38/64/333213864.db2.gz BQYVOBKJIPYHLD-GXFFZTMASA-N 0 3 300.299 4.016 20 30 DIEDHN CCOc1ccc([C@H](CC)NCC2(CC#N)CC2)cc1OCC ZINC000430739335 335129282 /nfs/dbraw/zinc/12/92/82/335129282.db2.gz HYEWFPNEOPZUEM-INIZCTEOSA-N 0 3 316.445 4.219 20 30 DIEDHN C=CCC[C@H](NCCc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000514085947 333252183 /nfs/dbraw/zinc/25/21/83/333252183.db2.gz XPVOUTHOAUJNRG-IBGZPJMESA-N 0 3 321.424 4.305 20 30 DIEDHN C=CCC[C@@H](NCCc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000514085950 333252223 /nfs/dbraw/zinc/25/22/23/333252223.db2.gz XPVOUTHOAUJNRG-LJQANCHMSA-N 0 3 321.424 4.305 20 30 DIEDHN CN(CCOc1ccccc1C#N)Cc1ccc2ccccc2c1 ZINC000497584358 333265969 /nfs/dbraw/zinc/26/59/69/333265969.db2.gz FRLKCYPKQYWYHM-UHFFFAOYSA-N 0 3 316.404 4.222 20 30 DIEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCCO1 ZINC000497728238 333284048 /nfs/dbraw/zinc/28/40/48/333284048.db2.gz SUOIAGVDNFJNON-FQEVSTJZSA-N 0 3 320.436 4.226 20 30 DIEDHN CC(C#N)C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000531276915 333339751 /nfs/dbraw/zinc/33/97/51/333339751.db2.gz CGBLMKLCAREQHI-SCLBCKFNSA-N 0 3 324.811 4.126 20 30 DIEDHN C=C(C)[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546123 335135710 /nfs/dbraw/zinc/13/57/10/335135710.db2.gz XYKXKQIJGOGGRX-PBHICJAKSA-N 0 3 307.384 4.273 20 30 DIEDHN C/C(=C/c1ccccc1C(F)(F)F)CNCC1(CC#N)CC1 ZINC000337249215 333444206 /nfs/dbraw/zinc/44/42/06/333444206.db2.gz JEHNBTMCMFCXKD-RAXLEYEMSA-N 0 3 308.347 4.392 20 30 DIEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000338955571 333503152 /nfs/dbraw/zinc/50/31/52/333503152.db2.gz GDBWJWRXLLWCPO-HXUWFJFHSA-N 0 3 324.399 4.285 20 30 DIEDHN C[C@H](NCCOCCC#N)c1ccccc1Oc1ccccc1 ZINC000339070275 333508079 /nfs/dbraw/zinc/50/80/79/333508079.db2.gz KUZCPYGLQWVOJU-INIZCTEOSA-N 0 3 310.397 4.060 20 30 DIEDHN C#CC[C@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913426 335149844 /nfs/dbraw/zinc/14/98/44/335149844.db2.gz PKLCJNQLSUICGW-DLBZAZTESA-N 0 3 310.828 4.467 20 30 DIEDHN C#CC[C@@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913428 335149925 /nfs/dbraw/zinc/14/99/25/335149925.db2.gz PKLCJNQLSUICGW-IAGOWNOFSA-N 0 3 310.828 4.467 20 30 DIEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000411449379 333675352 /nfs/dbraw/zinc/67/53/52/333675352.db2.gz GBQGYYSTRPSBGD-CQSZACIVSA-N 0 3 301.390 4.110 20 30 DIEDHN CC(C)(NCCC1(C#N)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000411760835 333705205 /nfs/dbraw/zinc/70/52/05/333705205.db2.gz TYRFFFXRTXBCRW-UHFFFAOYSA-N 0 3 315.417 4.284 20 30 DIEDHN C=CCCc1ccccc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412323624 333747166 /nfs/dbraw/zinc/74/71/66/333747166.db2.gz XFDQYNHFJBDGSC-JYJNAYRXSA-N 0 3 300.446 4.005 20 30 DIEDHN CCOc1ccc([C@@H](CC)NCC(C)(C)CC#N)cc1OCC ZINC000414160065 333914869 /nfs/dbraw/zinc/91/48/69/333914869.db2.gz CEWGUUOXFDJJBI-MRXNPFEDSA-N 0 3 318.461 4.465 20 30 DIEDHN CC(C)(C)c1ccncc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000414234064 333927643 /nfs/dbraw/zinc/92/76/43/333927643.db2.gz SGHKURTXWHVIRU-IBGZPJMESA-N 0 3 305.425 4.028 20 30 DIEDHN N#CCOc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000264585946 333958490 /nfs/dbraw/zinc/95/84/90/333958490.db2.gz XFXLZTIJRZFBJW-HXUWFJFHSA-N 0 3 324.399 4.359 20 30 DIEDHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517156 334024176 /nfs/dbraw/zinc/02/41/76/334024176.db2.gz UFMYWQVEBJYVLU-LSDHHAIUSA-N 0 3 312.388 4.448 20 30 DIEDHN COc1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000271685959 334025651 /nfs/dbraw/zinc/02/56/51/334025651.db2.gz PWDCWOOQXIAJFE-OAHLLOKOSA-N 0 3 308.425 4.347 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829744 334027512 /nfs/dbraw/zinc/02/75/12/334027512.db2.gz DRKHJUUXJRVEQO-OXQOHEQNSA-N 0 3 304.393 4.004 20 30 DIEDHN COc1ccc2[nH]cc(C3=CCN(CCC(C)(C)C#N)CC3)c2c1 ZINC000272015191 334029794 /nfs/dbraw/zinc/02/97/94/334029794.db2.gz LMJGWMGCZBOXQM-UHFFFAOYSA-N 0 3 323.440 4.205 20 30 DIEDHN CCN(C)c1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267884 334032266 /nfs/dbraw/zinc/03/22/66/334032266.db2.gz MSCJSKYQGNPKIA-INIZCTEOSA-N 0 3 319.452 4.354 20 30 DIEDHN CC[C@H](NCCc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000343521420 335174259 /nfs/dbraw/zinc/17/42/59/335174259.db2.gz UUOABEGNDLUJMQ-SFHVURJKSA-N 0 3 300.352 4.120 20 30 DIEDHN C[C@H](NCCCC#N)c1ccc(SCC(F)(F)F)cc1 ZINC000273202755 334044108 /nfs/dbraw/zinc/04/41/08/334044108.db2.gz IYHJSSLBINURBL-NSHDSACASA-N 0 3 302.365 4.295 20 30 DIEDHN N#CCCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000273291571 334044994 /nfs/dbraw/zinc/04/49/94/334044994.db2.gz SGIBWJBHLVICEV-CQSZACIVSA-N 0 3 315.417 4.220 20 30 DIEDHN CCCCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274574456 334063504 /nfs/dbraw/zinc/06/35/04/334063504.db2.gz BKYYMUHSFQLQCP-UXLLHSPISA-N 0 3 316.445 4.217 20 30 DIEDHN C[C@@H](NCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000278878070 334102470 /nfs/dbraw/zinc/10/24/70/334102470.db2.gz HSBCJFFHULTOTL-SECBINFHSA-N 0 3 305.369 4.142 20 30 DIEDHN N#CC1CCC(CNCc2csc(-c3cccs3)n2)CC1 ZINC000282466105 334134831 /nfs/dbraw/zinc/13/48/31/334134831.db2.gz UHLVNYZAHAPJBO-UHFFFAOYSA-N 0 3 317.483 4.291 20 30 DIEDHN COC[C@H](NCC1CCC(C#N)CC1)c1cccc(Cl)c1F ZINC000286970000 334155245 /nfs/dbraw/zinc/15/52/45/334155245.db2.gz IKRCSBHSTUSBFW-ZUEPYMLJSA-N 0 3 324.827 4.086 20 30 DIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 ZINC000289395545 334164842 /nfs/dbraw/zinc/16/48/42/334164842.db2.gz KLLVPCFHFNMHIS-HNNXBMFYSA-N 0 3 309.413 4.464 20 30 DIEDHN CC[C@H](c1cccc(OC)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000289554531 334166481 /nfs/dbraw/zinc/16/64/81/334166481.db2.gz XKQKTLSHKCXVPW-HXUWFJFHSA-N 0 3 324.424 4.181 20 30 DIEDHN C=CCOc1ccc(CN[C@H]2CCCc3cc(N)ccc32)cc1 ZINC000414920996 334181655 /nfs/dbraw/zinc/18/16/55/334181655.db2.gz ZWVBAXCLFITCGL-FQEVSTJZSA-N 0 3 308.425 4.001 20 30 DIEDHN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC[C@H](C#N)CCC#N ZINC000293159942 334196269 /nfs/dbraw/zinc/19/62/69/334196269.db2.gz UUZQGVSQGHFHTM-WMZOPIPTSA-N 0 3 317.864 4.330 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562555 334199106 /nfs/dbraw/zinc/19/91/06/334199106.db2.gz MGGZYVUIHDSKOP-XPKDYRNWSA-N 0 3 306.862 4.199 20 30 DIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(C2CC2)c1 ZINC000294880879 334213988 /nfs/dbraw/zinc/21/39/88/334213988.db2.gz UTKFRJUMMXAEQO-OAHLLOKOSA-N 0 3 306.409 4.317 20 30 DIEDHN N#CC[C@@H]1CC[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000295083807 334218152 /nfs/dbraw/zinc/21/81/52/334218152.db2.gz QRVIAVWRBAUWBK-RYUDHWBXSA-N 0 3 303.456 4.044 20 30 DIEDHN COc1c(Cl)cc(Cl)cc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000295137149 334219605 /nfs/dbraw/zinc/21/96/05/334219605.db2.gz YXRCCKFAQNGLFS-GWCFXTLKSA-N 0 3 313.228 4.174 20 30 DIEDHN C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(OCC#N)cc1 ZINC000296357489 334232908 /nfs/dbraw/zinc/23/29/08/334232908.db2.gz IPYIFTMFDUAYEC-ZRGWGRIASA-N 0 3 322.408 4.152 20 30 DIEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000299721968 334257500 /nfs/dbraw/zinc/25/75/00/334257500.db2.gz SNFBWQHBIOCWCW-JKSUJKDBSA-N 0 3 309.413 4.003 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N(C)c2ccccc2)CC1 ZINC000187713310 334269341 /nfs/dbraw/zinc/26/93/41/334269341.db2.gz UFMRVIPOIOXOMS-KRWDZBQOSA-N 0 3 319.452 4.220 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCC2CCCC2)CC1 ZINC000187708675 334269393 /nfs/dbraw/zinc/26/93/93/334269393.db2.gz MBNZJJANNJNOTF-INIZCTEOSA-N 0 3 312.457 4.290 20 30 DIEDHN CCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1OC ZINC000048714810 334297527 /nfs/dbraw/zinc/29/75/27/334297527.db2.gz XTTORLQAOISZGG-HNNXBMFYSA-N 0 3 324.424 4.206 20 30 DIEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303962001 334350428 /nfs/dbraw/zinc/35/04/28/334350428.db2.gz ZYWAUSYCEPUNDD-RTBURBONSA-N 0 3 312.457 4.118 20 30 DIEDHN C=CCSCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000541897497 334352057 /nfs/dbraw/zinc/35/20/57/334352057.db2.gz FDNSRKYDPKGPIR-ZDUSSCGKSA-N 0 3 305.443 4.320 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000341683766 334470001 /nfs/dbraw/zinc/47/00/01/334470001.db2.gz MVWTZARQKYIHJB-WOJBJXKFSA-N 0 3 306.384 4.352 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCOc2ccccc21 ZINC000341694970 334471148 /nfs/dbraw/zinc/47/11/48/334471148.db2.gz AJHCUSJBHJNUQH-WOJBJXKFSA-N 0 3 318.420 4.439 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCOc2ccccc21 ZINC000341694968 334471229 /nfs/dbraw/zinc/47/12/29/334471229.db2.gz AJHCUSJBHJNUQH-VQTJNVASSA-N 0 3 318.420 4.439 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712400 334473006 /nfs/dbraw/zinc/47/30/06/334473006.db2.gz XASVZBAFAKXCFV-VBKZILBWSA-N 0 3 301.393 4.158 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2ccccc2o1 ZINC000341760411 334478114 /nfs/dbraw/zinc/47/81/14/334478114.db2.gz LMPLDVOQXVHIQN-LJQANCHMSA-N 0 3 302.377 4.472 20 30 DIEDHN COc1ccc(C)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341820213 334482290 /nfs/dbraw/zinc/48/22/90/334482290.db2.gz XWMSRZRXQHWUHZ-LJQANCHMSA-N 0 3 306.409 4.043 20 30 DIEDHN C=CCC[C@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341941927 334494603 /nfs/dbraw/zinc/49/46/03/334494603.db2.gz INOZAVBQIFWXSN-SCTDSRPQSA-N 0 3 314.473 4.073 20 30 DIEDHN C=CC[C@@H]1N(C(=O)Nc2ccccc2CNC)CCCC1(C)C ZINC000415925069 334632855 /nfs/dbraw/zinc/63/28/55/334632855.db2.gz SMRKYPAVFBROSI-KRWDZBQOSA-N 0 3 315.461 4.005 20 30 DIEDHN C=CCCc1ccccc1NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416223431 334655107 /nfs/dbraw/zinc/65/51/07/334655107.db2.gz HDFWWCWUDZYXCW-HXUWFJFHSA-N 0 3 322.452 4.437 20 30 DIEDHN Cc1c([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365720 334741501 /nfs/dbraw/zinc/74/15/01/334741501.db2.gz MHPNBPXWQNDXRI-VLIAUNLRSA-N 0 3 322.456 4.372 20 30 DIEDHN N#CCCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000344369881 335244999 /nfs/dbraw/zinc/24/49/99/335244999.db2.gz WYOSVAJWXFIUIP-UHFFFAOYSA-N 0 3 302.324 4.150 20 30 DIEDHN Cc1ccc(C)c(N2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000444649854 338478729 /nfs/dbraw/zinc/47/87/29/338478729.db2.gz KUOWUYGAYYSDCF-UHFFFAOYSA-N 0 3 313.489 4.146 20 30 DIEDHN C=CCOCCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000347968524 335537875 /nfs/dbraw/zinc/53/78/75/335537875.db2.gz RNDFBLRXEQMDDI-UHFFFAOYSA-N 0 3 316.470 4.068 20 30 DIEDHN CC(C)(CCC#N)CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000348205540 335565741 /nfs/dbraw/zinc/56/57/41/335565741.db2.gz JRGOLKKHQNVSJS-SFHVURJKSA-N 0 3 311.404 4.230 20 30 DIEDHN CC(C)(CCC#N)CN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000348249393 335567557 /nfs/dbraw/zinc/56/75/57/335567557.db2.gz YKXFTVCISWEHQH-GOSISDBHSA-N 0 3 311.404 4.230 20 30 DIEDHN C[C@H](CCC#N)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000351494374 336038352 /nfs/dbraw/zinc/03/83/52/336038352.db2.gz RBPSUDCVGFDZPR-CYBMUJFWSA-N 0 3 321.262 4.105 20 30 DIEDHN CCC(C)(C)[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332180161 336161813 /nfs/dbraw/zinc/16/18/13/336161813.db2.gz VJWSXVRDQFLQLA-INIZCTEOSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000352249916 336206768 /nfs/dbraw/zinc/20/67/68/336206768.db2.gz ANYSXEWLEDXXHB-GOSISDBHSA-N 0 3 324.424 4.125 20 30 DIEDHN CC1(c2ccccc2)CCC(NCc2nc(C#N)cs2)CC1 ZINC000352811041 336244868 /nfs/dbraw/zinc/24/48/68/336244868.db2.gz PSVSQUWJEOGDCD-UHFFFAOYSA-N 0 3 311.454 4.005 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000192943046 336285484 /nfs/dbraw/zinc/28/54/84/336285484.db2.gz UQBUBWPEJVUKNC-MGPUTAFESA-N 0 3 306.409 4.317 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)c(F)c1 ZINC000192977808 336286406 /nfs/dbraw/zinc/28/64/06/336286406.db2.gz UHUGGXIMRCHKSF-QWHCGFSZSA-N 0 3 316.351 4.279 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999246 336286722 /nfs/dbraw/zinc/28/67/22/336286722.db2.gz YBAWNDSAQAPDGH-QRWLVFNGSA-N 0 3 324.424 4.399 20 30 DIEDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004419 336286893 /nfs/dbraw/zinc/28/68/93/336286893.db2.gz CDSMZAYXMJIUJK-FOIQADDNSA-N 0 3 306.409 4.391 20 30 DIEDHN C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302189755 336353070 /nfs/dbraw/zinc/35/30/70/336353070.db2.gz YBTJPHDCAVQIRG-UHFFFAOYSA-N 0 3 323.362 4.029 20 30 DIEDHN C=CCOc1ccc(CNCc2cc(F)cc3cccnc32)cc1 ZINC000352953626 336379024 /nfs/dbraw/zinc/37/90/24/336379024.db2.gz RKULMUXRCLOSTC-UHFFFAOYSA-N 0 3 322.383 4.229 20 30 DIEDHN CN(C)CCSCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193068391 336392946 /nfs/dbraw/zinc/39/29/46/336392946.db2.gz LOSNFNWHHMONQA-UHFFFAOYSA-N 0 3 324.493 4.181 20 30 DIEDHN N#CCCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353533432 336423097 /nfs/dbraw/zinc/42/30/97/336423097.db2.gz FQNPOPHCBDYDGH-LJQANCHMSA-N 0 3 305.381 4.201 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583270 336426807 /nfs/dbraw/zinc/42/68/07/336426807.db2.gz XMDVORXWRIMXKV-UXHICEINSA-N 0 3 306.384 4.352 20 30 DIEDHN C=CCC[C@@H](NCC[C@@H]1COc2ccccc2O1)c1ccco1 ZINC000353623739 336429577 /nfs/dbraw/zinc/42/95/77/336429577.db2.gz RUJPLHKXNSFIMD-HZPDHXFCSA-N 0 3 313.397 4.107 20 30 DIEDHN C=CCCOCCN[C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358347514 336625247 /nfs/dbraw/zinc/62/52/47/336625247.db2.gz BSFKFVDTHHSJBQ-MRXNPFEDSA-N 0 3 309.837 4.044 20 30 DIEDHN C=CCCOCCN[C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358347511 336625252 /nfs/dbraw/zinc/62/52/52/336625252.db2.gz BSFKFVDTHHSJBQ-INIZCTEOSA-N 0 3 309.837 4.044 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000360655208 336717572 /nfs/dbraw/zinc/71/75/72/336717572.db2.gz CDRXRCMKLIAJKU-NHCUHLMSSA-N 0 3 317.436 4.462 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(F)c(F)c1 ZINC000360836931 336723763 /nfs/dbraw/zinc/72/37/63/336723763.db2.gz NNDHHGZOJJZIJM-IBGZPJMESA-N 0 3 312.363 4.394 20 30 DIEDHN Cc1nc2ccccc2n1CCCCCN1CCC(C)(C#N)CC1 ZINC000361348729 336752793 /nfs/dbraw/zinc/75/27/93/336752793.db2.gz NDYKIZAYYXXZHE-UHFFFAOYSA-N 0 3 324.472 4.141 20 30 DIEDHN N#CCSCCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000369567057 336867517 /nfs/dbraw/zinc/86/75/17/336867517.db2.gz RJDLGANWHLVBNA-UHFFFAOYSA-N 0 3 322.424 4.091 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2[nH]ccc21 ZINC000418143901 336896600 /nfs/dbraw/zinc/89/66/00/336896600.db2.gz JKYFYPJBLZWEPJ-HXUWFJFHSA-N 0 3 301.393 4.207 20 30 DIEDHN CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084024 336921696 /nfs/dbraw/zinc/92/16/96/336921696.db2.gz QADRZZIONXVXMJ-KSSFIOAISA-N 0 3 308.429 4.064 20 30 DIEDHN C/C(=C/c1ccccc1OC(F)F)CN1CCC(CC#N)CC1 ZINC000582697363 337121645 /nfs/dbraw/zinc/12/16/45/337121645.db2.gz AALFFDHFPVROSC-OWBHPGMISA-N 0 3 320.383 4.317 20 30 DIEDHN Cc1cccc(O[C@H](C)CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508074 337137464 /nfs/dbraw/zinc/13/74/64/337137464.db2.gz VBCXGJHNDIZATP-CABCVRRESA-N 0 3 312.388 4.124 20 30 DIEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 ZINC000174369182 337141154 /nfs/dbraw/zinc/14/11/54/337141154.db2.gz WYLPDQLLKYADHK-HZPDHXFCSA-N 0 3 316.408 4.156 20 30 DIEDHN Cc1cccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508077 337142401 /nfs/dbraw/zinc/14/24/01/337142401.db2.gz VBCXGJHNDIZATP-LSDHHAIUSA-N 0 3 312.388 4.124 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@H](CC)C1 ZINC000582991695 337223208 /nfs/dbraw/zinc/22/32/08/337223208.db2.gz AVKRUKCGTKEOEL-PKOBYXMFSA-N 0 3 319.493 4.047 20 30 DIEDHN C=C(C)COCCNC/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000583107278 337238213 /nfs/dbraw/zinc/23/82/13/337238213.db2.gz XDSPSCONHMGZRI-ZROIWOOFSA-N 0 3 313.363 4.291 20 30 DIEDHN C=CCCOCCN[C@H](CC)c1ccc(Br)cc1 ZINC000229860418 337267909 /nfs/dbraw/zinc/26/79/09/337267909.db2.gz INKLQXNNCYLDMQ-OAHLLOKOSA-N 0 3 312.251 4.083 20 30 DIEDHN Cc1c2ccccc2oc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000583745770 337328491 /nfs/dbraw/zinc/32/84/91/337328491.db2.gz ORDQFDCYYRNCFS-SFHVURJKSA-N 0 3 302.377 4.390 20 30 DIEDHN COc1cc(CN[C@H]2C[C@@H](C)c3c2cccc3C)ccc1C#N ZINC000583901444 337384835 /nfs/dbraw/zinc/38/48/35/337384835.db2.gz CNKPUYPCWXASKP-KDOFPFPSSA-N 0 3 306.409 4.213 20 30 DIEDHN C=C[C@H](CC(=O)Nc1ccccc1CCN(C)C)c1ccccc1 ZINC000275925951 337663272 /nfs/dbraw/zinc/66/32/72/337663272.db2.gz XMUJFSKTDLRXIP-QGZVFWFLSA-N 0 3 322.452 4.089 20 30 DIEDHN N#C[C@H]1CC[C@@H](NCc2cccc(OCc3ccccc3F)c2)C1 ZINC000424198473 337807833 /nfs/dbraw/zinc/80/78/33/337807833.db2.gz PJIYJSKJTHOIQY-MAUKXSAKSA-N 0 3 324.399 4.187 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc(OCC)c(F)c2)cc1 ZINC000106244810 337814776 /nfs/dbraw/zinc/81/47/76/337814776.db2.gz DBIRNBBIMIQIAU-UHFFFAOYSA-N 0 3 315.388 4.079 20 30 DIEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(SCC(F)F)cc1 ZINC000424321644 337820442 /nfs/dbraw/zinc/82/04/42/337820442.db2.gz HKNRVYOAPVMDGK-MBNYWOFBSA-N 0 3 310.413 4.387 20 30 DIEDHN Cc1cc(Cl)cc2c1OCCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424326533 337821352 /nfs/dbraw/zinc/82/13/52/337821352.db2.gz MCRXXQOMZSAPFK-BJJXKVORSA-N 0 3 304.821 4.144 20 30 DIEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3cc(Br)ccc32)C1 ZINC000424327601 337821404 /nfs/dbraw/zinc/82/14/04/337821404.db2.gz MZYCSOQYSUEEKR-PEYYIBSZSA-N 0 3 319.246 4.108 20 30 DIEDHN Cc1cc(Cl)c2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424332346 337822434 /nfs/dbraw/zinc/82/24/34/337822434.db2.gz SUSJCGUXCHBWQN-WOSRLPQWSA-N 0 3 304.821 4.144 20 30 DIEDHN COc1ccc([C@@H](Cc2ccccc2)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335572 337822689 /nfs/dbraw/zinc/82/26/89/337822689.db2.gz XAKRQYPXKHVNGW-FBBABVLZSA-N 0 3 320.436 4.261 20 30 DIEDHN N#Cc1ccc(CNCC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000533309336 337840567 /nfs/dbraw/zinc/84/05/67/337840567.db2.gz KIOGFIBUGHKWBB-UHFFFAOYSA-N 0 3 314.791 4.172 20 30 DIEDHN N#Cc1ccc(CNCCc2cccc3ccccc32)c(F)c1 ZINC000533309143 337840595 /nfs/dbraw/zinc/84/05/95/337840595.db2.gz ZZWJGRARPZOUNT-UHFFFAOYSA-N 0 3 304.368 4.183 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000046836381 337840806 /nfs/dbraw/zinc/84/08/06/337840806.db2.gz JROXLWPPPWQBGF-LBPRGKRZSA-N 0 3 320.314 4.308 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000118392105 337850526 /nfs/dbraw/zinc/85/05/26/337850526.db2.gz FSJJCQPLEWIYMB-OAHLLOKOSA-N 0 3 306.409 4.204 20 30 DIEDHN CC(C)Oc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 ZINC000537063332 337885487 /nfs/dbraw/zinc/88/54/87/337885487.db2.gz WJHWZVNQFOIFJU-MRXNPFEDSA-N 0 3 324.424 4.075 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000061558139 337945166 /nfs/dbraw/zinc/94/51/66/337945166.db2.gz AXUVZNQTXRWQDA-CQSZACIVSA-N 0 3 315.388 4.250 20 30 DIEDHN N#CCC[C@H](C#N)CNC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000514784358 337970842 /nfs/dbraw/zinc/97/08/42/337970842.db2.gz IAZVCENYFVATPV-TYNCELHUSA-N 0 3 322.239 4.130 20 30 DIEDHN C=CCC[C@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311436 338026194 /nfs/dbraw/zinc/02/61/94/338026194.db2.gz NSOXZFXXNLWTBF-RDJZCZTQSA-N 0 3 314.404 4.295 20 30 DIEDHN C[C@@H](C1CC1)N(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426365358 338029116 /nfs/dbraw/zinc/02/91/16/338029116.db2.gz LRFQZHAXRAEMBV-ZDUSSCGKSA-N 0 3 307.359 4.320 20 30 DIEDHN C=CCN(C)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000428390825 338034083 /nfs/dbraw/zinc/03/40/83/338034083.db2.gz VDAATTFTRHINBE-UHFFFAOYSA-N 0 3 315.388 4.031 20 30 DIEDHN CCCN(CCc1cccs1)Cc1cccc(F)c1C#N ZINC000428435210 338051302 /nfs/dbraw/zinc/05/13/02/338051302.db2.gz NKRIKIJSBURDMR-UHFFFAOYSA-N 0 3 302.418 4.214 20 30 DIEDHN CC(C)O[C@@H](CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000428458766 338052890 /nfs/dbraw/zinc/05/28/90/338052890.db2.gz JFDJCPBUSAYUDU-FQEVSTJZSA-N 0 3 308.425 4.156 20 30 DIEDHN N#CCC1(CNCc2cccc(OCc3ccccc3F)c2)CC1 ZINC000430041106 338094281 /nfs/dbraw/zinc/09/42/81/338094281.db2.gz LHSOOKYDPHYLGH-UHFFFAOYSA-N 0 3 324.399 4.188 20 30 DIEDHN CC[C@@H]1CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430205351 338101257 /nfs/dbraw/zinc/10/12/57/338101257.db2.gz MVEYLYLTRMXVSW-LJQANCHMSA-N 0 3 306.409 4.122 20 30 DIEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874415 338117610 /nfs/dbraw/zinc/11/76/10/338117610.db2.gz CTRQNQFUXLBKLG-DZGCQCFKSA-N 0 3 308.347 4.235 20 30 DIEDHN COc1c(C)cnc(CN[C@H](CCCC#N)c2ccccc2)c1C ZINC000433008923 338176051 /nfs/dbraw/zinc/17/60/51/338176051.db2.gz FRJMHIWZZDCIHM-GOSISDBHSA-N 0 3 323.440 4.232 20 30 DIEDHN CN(CCSCc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000433036372 338177645 /nfs/dbraw/zinc/17/76/45/338177645.db2.gz UOALCDWBPDUEIV-UHFFFAOYSA-N 0 3 314.429 4.063 20 30 DIEDHN CCCC[C@@H](CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222641 338186530 /nfs/dbraw/zinc/18/65/30/338186530.db2.gz ZVKNNSAYWQVKPF-AEFFLSMTSA-N 0 3 300.446 4.092 20 30 DIEDHN CC(C)CCC[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433222703 338186574 /nfs/dbraw/zinc/18/65/74/338186574.db2.gz WKLBORNRJOPVSM-SJLPKXTDSA-N 0 3 300.446 4.090 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000433231565 338187058 /nfs/dbraw/zinc/18/70/58/338187058.db2.gz KOEBXVVUUGPVIJ-VQTJNVASSA-N 0 3 318.420 4.026 20 30 DIEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC2(CCCCC2)C1 ZINC000433355230 338193778 /nfs/dbraw/zinc/19/37/78/338193778.db2.gz VJOCXKOVYYGBHG-IBGZPJMESA-N 0 3 324.468 4.332 20 30 DIEDHN CCC[C@]1(C)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375801 338194103 /nfs/dbraw/zinc/19/41/03/338194103.db2.gz QQQSNHIZIATVQM-AZUAARDMSA-N 0 3 312.457 4.188 20 30 DIEDHN C=CCC[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC000435725324 338246241 /nfs/dbraw/zinc/24/62/41/338246241.db2.gz XDBGCGMPPVFZGI-FQEVSTJZSA-N 0 3 322.452 4.186 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(CSC)c2)cc1 ZINC000438368502 338341746 /nfs/dbraw/zinc/34/17/46/338341746.db2.gz BTBXMJGWDYCETM-UHFFFAOYSA-N 0 3 313.466 4.404 20 30 DIEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454224 338369898 /nfs/dbraw/zinc/36/98/98/338369898.db2.gz RJZVKWDVPXNHSP-GJZGRUSLSA-N 0 3 308.878 4.318 20 30 DIEDHN COc1cc(CNC2(c3ccc(F)cc3)CCCC2)ccc1C#N ZINC000440805798 338397871 /nfs/dbraw/zinc/39/78/71/338397871.db2.gz FLMQVBFGLOMKKQ-UHFFFAOYSA-N 0 3 324.399 4.265 20 30 DIEDHN CCN(CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000442635398 338426334 /nfs/dbraw/zinc/42/63/34/338426334.db2.gz PMVKYSGKQDRMHX-HDMKZQKVSA-N 0 3 319.880 4.005 20 30 DIEDHN Cc1cccc(Oc2cc(CN[C@H]3CC[C@H](C#N)C3)ccn2)c1C ZINC000442779335 338430777 /nfs/dbraw/zinc/43/07/77/338430777.db2.gz MAFVGHPESQZGMX-WMZOPIPTSA-N 0 3 321.424 4.273 20 30 DIEDHN CCCCCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442799802 338432313 /nfs/dbraw/zinc/43/23/13/338432313.db2.gz ZYOVXCKZKRKUMN-SJLPKXTDSA-N 0 3 300.446 4.346 20 30 DIEDHN C[C@@H](NCC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000442867774 338436346 /nfs/dbraw/zinc/43/63/46/338436346.db2.gz MMYZKFNIQHGJJJ-KPPDAEKUSA-N 0 3 317.380 4.142 20 30 DIEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871950 338436888 /nfs/dbraw/zinc/43/68/88/338436888.db2.gz MLFCUDRFLVCXAY-SYNHAJSKSA-N 0 3 318.420 4.459 20 30 DIEDHN CC1(C#N)CCC(NCc2ccccc2Br)CC1 ZINC000449103465 338593658 /nfs/dbraw/zinc/59/36/58/338593658.db2.gz BAOOMMZVSADVTM-UHFFFAOYSA-N 0 3 307.235 4.011 20 30 DIEDHN COc1cccc(Sc2ccccc2CNCCCC#N)c1 ZINC000449236121 338605225 /nfs/dbraw/zinc/60/52/25/338605225.db2.gz XCJXMPSXZBTHSV-UHFFFAOYSA-N 0 3 312.438 4.240 20 30 DIEDHN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871065 338746773 /nfs/dbraw/zinc/74/67/73/338746773.db2.gz QTRGLGGWECADFY-HNAYVOBHSA-N 0 3 305.425 4.180 20 30 DIEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000453355457 338830522 /nfs/dbraw/zinc/83/05/22/338830522.db2.gz LNRJXUUSGCOBLQ-GLQYFDAESA-N 0 3 313.413 4.038 20 30 DIEDHN C=CCOc1ccccc1CNC[C@@H](C)Oc1ccccc1C ZINC000462735259 339085728 /nfs/dbraw/zinc/08/57/28/339085728.db2.gz OYBCZHPIIALQOT-QGZVFWFLSA-N 0 3 311.425 4.117 20 30 DIEDHN CCc1oc2ccccc2c1CNCCOc1ccc(C#N)cc1 ZINC000462768317 339087567 /nfs/dbraw/zinc/08/75/67/339087567.db2.gz UXFMWWHZQCGPGF-UHFFFAOYSA-N 0 3 320.392 4.035 20 30 DIEDHN CC(C)C[C@H](C)Oc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000463280613 339113131 /nfs/dbraw/zinc/11/31/31/339113131.db2.gz DVKINKGZNBBYPA-BQFCYCMXSA-N 0 3 315.461 4.067 20 30 DIEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2OCc2ccccc2)C1 ZINC000463295298 339113811 /nfs/dbraw/zinc/11/38/11/339113811.db2.gz ZODHUJHRKVNQOH-ICSRJNTNSA-N 0 3 320.436 4.438 20 30 DIEDHN C=C(C)COc1cc(CN[C@H](C)CC(F)(F)F)ccc1OC ZINC000463714437 339124392 /nfs/dbraw/zinc/12/43/92/339124392.db2.gz BIKHJWAZSVTDFB-GFCCVEGCSA-N 0 3 317.351 4.081 20 30 DIEDHN Cc1ccc(C)c(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464472311 339143039 /nfs/dbraw/zinc/14/30/39/339143039.db2.gz OKUWYHXNMIFVTR-AWEZNQCLSA-N 0 3 318.298 4.207 20 30 DIEDHN CCCN(CCc1cccs1)Cc1cc(F)ccc1C#N ZINC000464591499 339146618 /nfs/dbraw/zinc/14/66/18/339146618.db2.gz YDOFDXBLPGLXSZ-UHFFFAOYSA-N 0 3 302.418 4.214 20 30 DIEDHN CCCN(CCc1cccs1)Cc1cc(C#N)ccc1F ZINC000464591401 339146628 /nfs/dbraw/zinc/14/66/28/339146628.db2.gz XKFUWKLPQVXLIZ-UHFFFAOYSA-N 0 3 302.418 4.214 20 30 DIEDHN C[C@H]1C[C@H](c2ccccc2F)N(CCOc2ccc(C#N)cc2)C1 ZINC000464743601 339150744 /nfs/dbraw/zinc/15/07/44/339150744.db2.gz ZJPXLBULRZZGPX-MGPUTAFESA-N 0 3 324.399 4.159 20 30 DIEDHN N#Cc1cccc(CCNCc2cc(C(F)(F)F)ccc2F)c1 ZINC000466408980 339203126 /nfs/dbraw/zinc/20/31/26/339203126.db2.gz IUMGAIPZADUOKM-UHFFFAOYSA-N 0 3 322.305 4.048 20 30 DIEDHN N#Cc1cccc(CCNCc2csc(Cl)c2Cl)c1 ZINC000466422680 339204074 /nfs/dbraw/zinc/20/40/74/339204074.db2.gz MZIAEPZGEXWQPR-UHFFFAOYSA-N 0 3 311.237 4.259 20 30 DIEDHN CC#CCCCc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000466982819 339223367 /nfs/dbraw/zinc/22/33/67/339223367.db2.gz AEVCUVWLLSGXDT-UHFFFAOYSA-N 0 3 323.440 4.069 20 30 DIEDHN C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411046 339237068 /nfs/dbraw/zinc/23/70/68/339237068.db2.gz LYGOGGZDRVYJBY-WFASDCNBSA-N 0 3 318.852 4.234 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H]2Cc2cccc(F)c2)ccc1F ZINC000468272710 339258343 /nfs/dbraw/zinc/25/83/43/339258343.db2.gz OHRZVDQGKKHOSI-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN CC(C)(CNCc1cc(C#N)cs1)c1cccc(Cl)c1F ZINC000469563346 339293374 /nfs/dbraw/zinc/29/33/74/339293374.db2.gz HADHBCXIVXQIBG-UHFFFAOYSA-N 0 3 322.836 4.480 20 30 DIEDHN COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)C(C)C#N)cc1 ZINC000469698140 339295752 /nfs/dbraw/zinc/29/57/52/339295752.db2.gz OJVHBNDPOGAPPN-CABCVRRESA-N 0 3 322.408 4.041 20 30 DIEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000469817955 339302009 /nfs/dbraw/zinc/30/20/09/339302009.db2.gz DLILISVLXGQKFT-QWRGUYRKSA-N 0 3 313.228 4.453 20 30 DIEDHN CC(C)Oc1ccc2ccccc2c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000472136869 339363854 /nfs/dbraw/zinc/36/38/54/339363854.db2.gz QZMCKTVKSHUMNL-NVXWUHKLSA-N 0 3 308.425 4.409 20 30 DIEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761493 339377074 /nfs/dbraw/zinc/37/70/74/339377074.db2.gz FMAOMFNOAVWMIF-AAEUAGOBSA-N 0 3 302.245 4.313 20 30 DIEDHN C=C[C@@H](C)NCc1ccc(Br)cc1C(F)(F)F ZINC000474793355 339426040 /nfs/dbraw/zinc/42/60/40/339426040.db2.gz DKANXXGLLXEMLU-MRVPVSSYSA-N 0 3 308.141 4.132 20 30 DIEDHN CCCOc1ccc(C(C)(C)NCc2ccc(C#N)cc2)cc1 ZINC000475669508 339458864 /nfs/dbraw/zinc/45/88/64/339458864.db2.gz LVTZVKOFAKBBRB-UHFFFAOYSA-N 0 3 308.425 4.372 20 30 DIEDHN CCCc1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000480370109 339570986 /nfs/dbraw/zinc/57/09/86/339570986.db2.gz KACXUQCVWRHYIN-HXUWFJFHSA-N 0 3 309.457 4.336 20 30 DIEDHN Cc1cc(CN[C@@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000488138002 339771642 /nfs/dbraw/zinc/77/16/42/339771642.db2.gz WBAPGWXKTCFJJP-ZDUSSCGKSA-N 0 3 316.351 4.319 20 30 DIEDHN CC#CCCNCc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000499216522 340032722 /nfs/dbraw/zinc/03/27/22/340032722.db2.gz SDNPUYLNKSFVON-UHFFFAOYSA-N 0 3 309.837 4.031 20 30 DIEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000500227641 340053534 /nfs/dbraw/zinc/05/35/34/340053534.db2.gz KTZGSRYXVRCZHO-FQEVSTJZSA-N 0 3 308.400 4.251 20 30 DIEDHN C=C(C)COCCNC/C(C)=C\c1ccccc1C(F)(F)F ZINC000500396554 340056633 /nfs/dbraw/zinc/05/66/33/340056633.db2.gz ATRPZXKWAPDVDA-UVTDQMKNSA-N 0 3 313.363 4.291 20 30 DIEDHN CC[C@@H]1C[C@]1(NCc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532832 340061581 /nfs/dbraw/zinc/06/15/81/340061581.db2.gz LIYBIWDKTZNIHE-WIYYLYMNSA-N 0 3 320.436 4.290 20 30 DIEDHN CCCOc1ccc([C@@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000404768816 340063183 /nfs/dbraw/zinc/06/31/83/340063183.db2.gz UZAOMZCMFYKNRC-CQSZACIVSA-N 0 3 312.388 4.337 20 30 DIEDHN N#Cc1ccc(C2=CCN(CCCOc3ccccc3)CC2)cc1 ZINC000502513211 340106603 /nfs/dbraw/zinc/10/66/03/340106603.db2.gz WYBXIBGDITWFEA-UHFFFAOYSA-N 0 3 318.420 4.116 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502534074 340107070 /nfs/dbraw/zinc/10/70/70/340107070.db2.gz IYICFBJCNUMOKJ-INIZCTEOSA-N 0 3 313.404 4.280 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000502539084 340107191 /nfs/dbraw/zinc/10/71/91/340107191.db2.gz DPMKRZYLJZZRJA-GOSISDBHSA-N 0 3 300.352 4.323 20 30 DIEDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000479451492 340151818 /nfs/dbraw/zinc/15/18/18/340151818.db2.gz JTBIPNGQHRRNLM-AWEZNQCLSA-N 0 3 321.399 4.348 20 30 DIEDHN C=CCc1cc(CN(C)[C@@H](C)c2ccccc2)cc(OC)c1O ZINC000506017264 340183411 /nfs/dbraw/zinc/18/34/11/340183411.db2.gz PIYCGBLHFKODRE-HNNXBMFYSA-N 0 3 311.425 4.322 20 30 DIEDHN C=CCOc1ccccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000506258578 340190304 /nfs/dbraw/zinc/19/03/04/340190304.db2.gz IRCKYNQURRKRGA-UHFFFAOYSA-N 0 3 321.420 4.246 20 30 DIEDHN CCN(Cc1ccccc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506481749 340195419 /nfs/dbraw/zinc/19/54/19/340195419.db2.gz QFDNOLWIKITPAV-INIZCTEOSA-N 0 3 308.425 4.020 20 30 DIEDHN CCOc1ccc(CN(Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000508540280 340246151 /nfs/dbraw/zinc/24/61/51/340246151.db2.gz CAAFVRCGXPXPSA-UHFFFAOYSA-N 0 3 314.454 4.429 20 30 DIEDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508603984 340247656 /nfs/dbraw/zinc/24/76/56/340247656.db2.gz KWYNNOTYNOEXCW-OAHLLOKOSA-N 0 3 323.396 4.358 20 30 DIEDHN CCN(Cc1cc(OC)cc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508602894 340247662 /nfs/dbraw/zinc/24/76/62/340247662.db2.gz GXWXCXVTTINCGS-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN C=C(C)CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000509006190 340257988 /nfs/dbraw/zinc/25/79/88/340257988.db2.gz IIOFYKQRBRFVMA-NSHDSACASA-N 0 3 304.381 4.308 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(COC)c1 ZINC000510647169 340304874 /nfs/dbraw/zinc/30/48/74/340304874.db2.gz IZHBOWZPCZFRTO-UHFFFAOYSA-N 0 3 311.425 4.030 20 30 DIEDHN Cc1ccc(C[C@@H]2CCCN2Cc2ccc(F)cc2C#N)cc1 ZINC000303552585 340333269 /nfs/dbraw/zinc/33/32/69/340333269.db2.gz HGNGBZFCLVZQHA-FQEVSTJZSA-N 0 3 308.400 4.213 20 30 DIEDHN C=CCN(CCc1ccccc1)Cc1c(C)nn(CCC)c1C ZINC000512030071 340345951 /nfs/dbraw/zinc/34/59/51/340345951.db2.gz GVRMJWOBPWWLHH-UHFFFAOYSA-N 0 3 311.473 4.141 20 30 DIEDHN C=CCCOCCN[C@@H](C)c1cc(C)c(Br)s1 ZINC000512051154 340346884 /nfs/dbraw/zinc/34/68/84/340346884.db2.gz GJXTWPGCYDFLGZ-NSHDSACASA-N 0 3 318.280 4.062 20 30 DIEDHN C=CCCOCCN[C@H](C)c1cc(C)c(Br)s1 ZINC000512051153 340346886 /nfs/dbraw/zinc/34/68/86/340346886.db2.gz GJXTWPGCYDFLGZ-LLVKDONJSA-N 0 3 318.280 4.062 20 30 DIEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)CCc1ccccc1 ZINC000512224831 340353028 /nfs/dbraw/zinc/35/30/28/340353028.db2.gz CNVULXKWGKOZGW-KRWDZBQOSA-N 0 3 313.441 4.171 20 30 DIEDHN C=C(C)CN(CCCC(C)(C)C#N)Cc1cnn(C(C)C)c1 ZINC000512512181 340364875 /nfs/dbraw/zinc/36/48/75/340364875.db2.gz RCRTUCCPLZAOOK-UHFFFAOYSA-N 0 3 302.466 4.172 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3nc(C)sc3c2)cc1 ZINC000512557803 340366814 /nfs/dbraw/zinc/36/68/14/340366814.db2.gz YCNSEEFCXQOPMG-UHFFFAOYSA-N 0 3 324.449 4.459 20 30 DIEDHN C[C@H](NCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512614202 340369129 /nfs/dbraw/zinc/36/91/29/340369129.db2.gz VCIAJPSWOHWIGP-ZDUSSCGKSA-N 0 3 307.372 4.072 20 30 DIEDHN C[C@H](NCCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512626922 340369905 /nfs/dbraw/zinc/36/99/05/340369905.db2.gz XPTLLXUGFRTDGK-ZDUSSCGKSA-N 0 3 300.402 4.140 20 30 DIEDHN C[C@H](NC[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629638 340369987 /nfs/dbraw/zinc/36/99/87/340369987.db2.gz JPJOSTSIOTUWPV-YEWWUXTCSA-N 0 3 318.436 4.189 20 30 DIEDHN C[C@@H](NC[C@@H](C)Cc1cccs1)c1ccc(C#N)cc1F ZINC000512641557 340370575 /nfs/dbraw/zinc/37/05/75/340370575.db2.gz IFODSEYQAWUUQB-QWHCGFSZSA-N 0 3 302.418 4.288 20 30 DIEDHN C[C@H](Cc1ccccc1F)N[C@H](C)c1ccc(C#N)cc1F ZINC000512641875 340370707 /nfs/dbraw/zinc/37/07/07/340370707.db2.gz KTOGSJDFWGYGNO-CHWSQXEVSA-N 0 3 300.352 4.118 20 30 DIEDHN C[C@@H](N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650133 340370861 /nfs/dbraw/zinc/37/08/61/340370861.db2.gz XKKANJRZNBVKNW-GDBMZVCRSA-N 0 3 316.420 4.230 20 30 DIEDHN C[C@H](NC1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512649034 340370877 /nfs/dbraw/zinc/37/08/77/340370877.db2.gz PZFYCGGHPATOOR-HNNXBMFYSA-N 0 3 323.415 4.017 20 30 DIEDHN Cc1cccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654793 340371379 /nfs/dbraw/zinc/37/13/79/340371379.db2.gz OVNMWBUWRZIKSD-HUUCEWRRSA-N 0 3 312.388 4.124 20 30 DIEDHN CN(CCc1cccc2ccccc21)Cc1cc(C#N)cs1 ZINC000512668597 340372152 /nfs/dbraw/zinc/37/21/52/340372152.db2.gz MLTJENFGYRLYFS-UHFFFAOYSA-N 0 3 306.434 4.447 20 30 DIEDHN N#CCSCCCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000173901253 340377190 /nfs/dbraw/zinc/37/71/90/340377190.db2.gz JCUDGJPTEKVLGB-HXUWFJFHSA-N 0 3 322.477 4.433 20 30 DIEDHN COc1c(Cl)cc(Cl)cc1CNCC(C)(C)CCC#N ZINC000516890396 340458050 /nfs/dbraw/zinc/45/80/50/340458050.db2.gz ZOWJKQSSPYIKNU-UHFFFAOYSA-N 0 3 315.244 4.422 20 30 DIEDHN CCCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185778459 340505014 /nfs/dbraw/zinc/50/50/14/340505014.db2.gz NZJSCRMZYONYGW-DOTOQJQBSA-N 0 3 316.445 4.046 20 30 DIEDHN CSc1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 ZINC000223666969 340546979 /nfs/dbraw/zinc/54/69/79/340546979.db2.gz BQUBOGXBKBLSIL-GFCCVEGCSA-N 0 3 300.402 4.270 20 30 DIEDHN Cc1c2ccccc2oc1[C@H](NCc1cc(C#N)n(C)c1)C(C)C ZINC000191013600 340549085 /nfs/dbraw/zinc/54/90/85/340549085.db2.gz CAGRIIWWHXTNQQ-LJQANCHMSA-N 0 3 321.424 4.438 20 30 DIEDHN COc1cc(C#N)ccc1CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000538153943 340811603 /nfs/dbraw/zinc/81/16/03/340811603.db2.gz AZIDURLWROPBAG-HNNXBMFYSA-N 0 3 308.425 4.023 20 30 DIEDHN C=CC[C@@H](CO)CN[C@H](CC)c1ccc(Cl)cc1Cl ZINC000538198309 340812870 /nfs/dbraw/zinc/81/28/70/340812870.db2.gz QHLYSIILIBZUOB-IAQYHMDHSA-N 0 3 302.245 4.219 20 30 DIEDHN C[C@@H](NCCOc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000538394253 340820474 /nfs/dbraw/zinc/82/04/74/340820474.db2.gz STDLNHSATKBDCM-MRXNPFEDSA-N 0 3 316.404 4.441 20 30 DIEDHN C[C@@H](NCCc1ccc(Cl)s1)c1ccc(C#N)c(F)c1 ZINC000538508720 340829613 /nfs/dbraw/zinc/82/96/13/340829613.db2.gz ZYVAGZNIINFGEY-SNVBAGLBSA-N 0 3 308.809 4.306 20 30 DIEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000540604956 340938184 /nfs/dbraw/zinc/93/81/84/340938184.db2.gz BBTBSUFFABBJJZ-LSDHHAIUSA-N 0 3 309.409 4.421 20 30 DIEDHN CCc1cnccc1[C@H](C)NCc1ccccc1C(C)(C)C#N ZINC000542124326 340996129 /nfs/dbraw/zinc/99/61/29/340996129.db2.gz XZJDMQXTZHABJD-HNNXBMFYSA-N 0 3 307.441 4.296 20 30 DIEDHN CC(C)Oc1cccc(CN(C)Cc2ccc(CC#N)cc2)c1 ZINC000542207607 341000032 /nfs/dbraw/zinc/00/00/32/341000032.db2.gz OOBQWTVHSLCTMZ-UHFFFAOYSA-N 0 3 308.425 4.172 20 30 DIEDHN C[C@@H]1SCCN(Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000542277373 341003076 /nfs/dbraw/zinc/00/30/76/341003076.db2.gz PNXZWYIYLLKVSI-OXJNMPFZSA-N 0 3 322.477 4.431 20 30 DIEDHN CC[C@H](NCCOc1ccccc1C#N)c1ccc(Cl)s1 ZINC000542556240 341013516 /nfs/dbraw/zinc/01/35/16/341013516.db2.gz MMTXZEHSXMKTLE-ZDUSSCGKSA-N 0 3 320.845 4.393 20 30 DIEDHN CC(C)CCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000542850097 341023577 /nfs/dbraw/zinc/02/35/77/341023577.db2.gz LTJCKYCUAYEXQX-UHFFFAOYSA-N 0 3 300.446 4.237 20 30 DIEDHN C[C@@H](NCc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000071307832 341028816 /nfs/dbraw/zinc/02/88/16/341028816.db2.gz JIAUEOYFYJQEOZ-SNVBAGLBSA-N 0 3 321.243 4.233 20 30 DIEDHN C=CCCCN(C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000543632871 341052177 /nfs/dbraw/zinc/05/21/77/341052177.db2.gz YWNBOSBIQXBLGI-UHFFFAOYSA-N 0 3 305.315 4.165 20 30 DIEDHN Cc1csc(C(C#N)C(=O)c2ccc(SC3CC3)cc2)n1 ZINC000543987130 341065107 /nfs/dbraw/zinc/06/51/07/341065107.db2.gz VFNIAVPJHCOISC-CQSZACIVSA-N 0 3 314.435 4.196 20 30 DIEDHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cc(C#N)cs2)c1 ZINC000544367273 341078397 /nfs/dbraw/zinc/07/83/97/341078397.db2.gz UTOGDPKSNQAEQA-UGSOOPFHSA-N 0 3 312.438 4.211 20 30 DIEDHN CC[C@@H](CSc1ccccc1)NCc1ccc(C#N)s1 ZINC000131701777 341109158 /nfs/dbraw/zinc/10/91/58/341109158.db2.gz HQJRFRRWMAFQKL-ZDUSSCGKSA-N 0 3 302.468 4.280 20 30 DIEDHN C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755823 341182098 /nfs/dbraw/zinc/18/20/98/341182098.db2.gz YNYVWGKBEQGXCR-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN Cc1cc(Cl)ccc1OCCCNCc1cc(C#N)cs1 ZINC000237614524 341216527 /nfs/dbraw/zinc/21/65/27/341216527.db2.gz ODXDOEXFLXPWKD-UHFFFAOYSA-N 0 3 320.845 4.140 20 30 DIEDHN C=CCSc1ccccc1NC(=O)CN(CC)C1CCCC1 ZINC000549545489 341297047 /nfs/dbraw/zinc/29/70/47/341297047.db2.gz WPLSPMGFFQAQMS-UHFFFAOYSA-N 0 3 318.486 4.168 20 30 DIEDHN N#CCCOCCN1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000549870424 341305772 /nfs/dbraw/zinc/30/57/72/341305772.db2.gz YXZLPMVZYWXSHW-QGZVFWFLSA-N 0 3 320.864 4.057 20 30 DIEDHN CC(C)c1ccc([C@H]2CCCCN2CCOCCC#N)cc1 ZINC000549921592 341306731 /nfs/dbraw/zinc/30/67/31/341306731.db2.gz FKZZGOMVIXLZAZ-LJQANCHMSA-N 0 3 300.446 4.267 20 30 DIEDHN N#Cc1cccc(C2(NC/C=C/c3ccc(F)cc3F)CC2)c1 ZINC000551580410 341346285 /nfs/dbraw/zinc/34/62/85/341346285.db2.gz HPZWCCODQGELPE-DUXPYHPUSA-N 0 3 310.347 4.129 20 30 DIEDHN C=CCC[C@@H](NC[C@@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032932 341363324 /nfs/dbraw/zinc/36/33/24/341363324.db2.gz CVOCUWTZTAQYEG-PKOBYXMFSA-N 0 3 310.441 4.403 20 30 DIEDHN C=CCC[C@H](NCCCn1cnc2ccccc21)c1ccco1 ZINC000552040296 341364042 /nfs/dbraw/zinc/36/40/42/341364042.db2.gz WMNZNUAQWUZTCR-KRWDZBQOSA-N 0 3 309.413 4.317 20 30 DIEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1OC(F)F ZINC000248827266 341387847 /nfs/dbraw/zinc/38/78/47/341387847.db2.gz MCPNROYXYSMZPE-NFAWXSAZSA-N 0 3 308.372 4.411 20 30 DIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000248860668 341388759 /nfs/dbraw/zinc/38/87/59/341388759.db2.gz PQXWGQJSJVDDTE-YSVLISHTSA-N 0 3 316.420 4.347 20 30 DIEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000552502505 341396639 /nfs/dbraw/zinc/39/66/39/341396639.db2.gz ZLZQIWBPINLZJA-GOSISDBHSA-N 0 3 322.880 4.051 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000249409586 341397229 /nfs/dbraw/zinc/39/72/29/341397229.db2.gz XMZJCXKIAFTHLC-FXAWDEMLSA-N 0 3 320.436 4.158 20 30 DIEDHN C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000552922687 341408767 /nfs/dbraw/zinc/40/87/67/341408767.db2.gz OMVRFAVOLNEDJY-IFZYUDKTSA-N 0 3 302.421 4.459 20 30 DIEDHN C=CCCOCCN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000090883569 341420063 /nfs/dbraw/zinc/42/00/63/341420063.db2.gz PUUNRRXSNXDDFP-CQSZACIVSA-N 0 3 316.470 4.362 20 30 DIEDHN C[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1C(F)(F)F ZINC000555104303 341475216 /nfs/dbraw/zinc/47/52/16/341475216.db2.gz UZJGRQYTIZMDPK-MRVPVSSYSA-N 0 3 310.241 4.008 20 30 DIEDHN CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000556295808 341501031 /nfs/dbraw/zinc/50/10/31/341501031.db2.gz SHKCGZMQWWGDQC-ZDUSSCGKSA-N 0 3 314.816 4.461 20 30 DIEDHN COc1cccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202927 341590030 /nfs/dbraw/zinc/59/00/30/341590030.db2.gz GDQPVKSYONOBDN-HUUCEWRRSA-N 0 3 310.397 4.009 20 30 DIEDHN COc1cccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202925 341590033 /nfs/dbraw/zinc/59/00/33/341590033.db2.gz GDQPVKSYONOBDN-GJZGRUSLSA-N 0 3 310.397 4.009 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000268797162 341604096 /nfs/dbraw/zinc/60/40/96/341604096.db2.gz IUQOVMPNVSXLQT-LSDHHAIUSA-N 0 3 322.408 4.131 20 30 DIEDHN CC(=O)c1c(C)cc(C)c(CN2CCC(CCC#N)CC2)c1C ZINC000567790345 341633426 /nfs/dbraw/zinc/63/34/26/341633426.db2.gz XUGZFDLPJNJDEO-UHFFFAOYSA-N 0 3 312.457 4.330 20 30 DIEDHN COc1cccc(C2(CN[C@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000574369048 341756658 /nfs/dbraw/zinc/75/66/58/341756658.db2.gz AJQBEIAQTBRBEG-CQSZACIVSA-N 0 3 324.399 4.088 20 30 DIEDHN N#C[C@@H]1CC[C@H](N2CCC([C@@H](F)c3ccccc3F)CC2)C1 ZINC000575199429 341785413 /nfs/dbraw/zinc/78/54/13/341785413.db2.gz SXRNNOQZOKJJDJ-QIIPPGSGSA-N 0 3 304.384 4.241 20 30 DIEDHN Cc1cc(C)nc(NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000577211520 341897533 /nfs/dbraw/zinc/89/75/33/341897533.db2.gz ANZUCODHOGWEKU-UHFFFAOYSA-N 0 3 305.303 4.201 20 30 DIEDHN N#Cc1cccc(COc2cccc(CN[C@@H]3CCC[C@@H]3F)c2)c1 ZINC000577364604 341905941 /nfs/dbraw/zinc/90/59/41/341905941.db2.gz NJANZJJBYGAUQK-VQTJNVASSA-N 0 3 324.399 4.117 20 30 DIEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cc(C#N)cs1 ZINC000177703726 341924472 /nfs/dbraw/zinc/92/44/72/341924472.db2.gz ODLNWTAUIGFQIR-BZNIZROVSA-N 0 3 320.845 4.139 20 30 DIEDHN CCN(Cc1ccccc1NC(C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000119878445 521383842 /nfs/dbraw/zinc/38/38/42/521383842.db2.gz NIZWNTXMFZCHBK-HNNXBMFYSA-N 0 3 321.424 4.100 20 30 DIEDHN CC[C@H](N[C@@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799259 522717503 /nfs/dbraw/zinc/71/75/03/522717503.db2.gz WVIPPAOJCMFRAV-RBUKOAKNSA-N 0 3 322.456 4.454 20 30 DIEDHN COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000182050067 525202680 /nfs/dbraw/zinc/20/26/80/525202680.db2.gz XLHJMOPRFUHUAU-IBGZPJMESA-N 0 3 312.388 4.193 20 30 DIEDHN C[C@@H]1C[C@@H]1[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212921 525332972 /nfs/dbraw/zinc/33/29/72/525332972.db2.gz NATCBFHYKFBTPV-OCBCSQNSSA-N 0 3 313.832 4.037 20 30 DIEDHN COc1ccc([C@H](N[C@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424614 525373401 /nfs/dbraw/zinc/37/34/01/525373401.db2.gz VLYOFDKGRCDLHZ-JLTOFOAXSA-N 0 3 306.409 4.369 20 30 DIEDHN C[C@H](NCc1cc(F)cc2cccnc21)c1ccc(C#N)cc1 ZINC000338376176 525430117 /nfs/dbraw/zinc/43/01/17/525430117.db2.gz JZXQCQNDMJOFEC-ZDUSSCGKSA-N 0 3 305.356 4.096 20 30 DIEDHN C[C@@H](NCc1cc(F)cc2cccnc21)c1ccc(C#N)cc1 ZINC000338376173 525514470 /nfs/dbraw/zinc/51/44/70/525514470.db2.gz JZXQCQNDMJOFEC-CYBMUJFWSA-N 0 3 305.356 4.096 20 30 DIEDHN COc1ccc2oc([C@H](C)NCc3ccc(C#N)cc3)c(C)c2c1 ZINC000237323023 525689196 /nfs/dbraw/zinc/68/91/96/525689196.db2.gz WIDIRLUEUNIXQM-AWEZNQCLSA-N 0 3 320.392 4.472 20 30 DIEDHN Cn1cc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)cc1C#N ZINC000190967526 527222091 /nfs/dbraw/zinc/22/20/91/527222091.db2.gz UDXAWIIJCMHNNL-SFHVURJKSA-N 0 3 313.832 4.181 20 30 DIEDHN CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471129 535907123 /nfs/dbraw/zinc/90/71/23/535907123.db2.gz FUSQQDBBXAFGRV-UONOGXRCSA-N 0 3 320.845 4.047 20 30 DIEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000289367385 537022545 /nfs/dbraw/zinc/02/25/45/537022545.db2.gz ZWXOPDLHQHUKFM-PXAZEXFGSA-N 0 3 310.372 4.044 20 30 DIEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354705 1035768946 /nfs/dbraw/zinc/76/89/46/1035768946.db2.gz YJCXXLLLTIOUIX-RKDXNWHRSA-N 0 3 307.287 4.115 20 30 DIEDHN CCc1nc2c(s1)[C@@H](N[C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154333085 1035870469 /nfs/dbraw/zinc/87/04/69/1035870469.db2.gz FHOXWCJDJVIPPE-DOMZBBRYSA-N 0 3 311.454 4.305 20 30 DIEDHN N#Cc1ccc(CCCN2CCc3cc(Cl)ccc3C2)cc1 ZINC001208863125 1035889778 /nfs/dbraw/zinc/88/97/78/1035889778.db2.gz XLRIFVGLSMEOEU-UHFFFAOYSA-N 0 3 310.828 4.203 20 30 DIEDHN Cc1ccc(CN(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000179602040 1035903304 /nfs/dbraw/zinc/90/33/04/1035903304.db2.gz FJJIJLLTIYAGJA-UHFFFAOYSA-N 0 3 308.425 4.310 20 30 DIEDHN C=CCCCCCCCCN1CCC(F)(C(=O)OCC)CC1 ZINC001209443860 1036191261 /nfs/dbraw/zinc/19/12/61/1036191261.db2.gz GRDWKNKJLBQWRP-UHFFFAOYSA-N 0 3 313.457 4.270 20 30 DIEDHN CCN(CC#Cc1cccc(Cl)c1)CCc1cccs1 ZINC001167206472 1036273349 /nfs/dbraw/zinc/27/33/49/1036273349.db2.gz QLJIZCCRWGQPOH-UHFFFAOYSA-N 0 3 303.858 4.318 20 30 DIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175750744 1036392186 /nfs/dbraw/zinc/39/21/86/1036392186.db2.gz SLMUAZPNRYXJOK-GFCCVEGCSA-N 0 3 320.314 4.308 20 30 DIEDHN N#Cc1ccc(CNC2(c3ccc(F)cc3)CCCC2)s1 ZINC000176960490 1036521164 /nfs/dbraw/zinc/52/11/64/1036521164.db2.gz FXXWHAMNJIMYLL-UHFFFAOYSA-N 0 3 300.402 4.318 20 30 DIEDHN C=C(CC)CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000539094805 1036829580 /nfs/dbraw/zinc/82/95/80/1036829580.db2.gz ODCJBKOJGSTKCQ-UHFFFAOYSA-N 0 3 311.372 4.227 20 30 DIEDHN N#Cc1csc(CNC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000177693154 1036903349 /nfs/dbraw/zinc/90/33/49/1036903349.db2.gz OYPCJZZKBJXMSF-UHFFFAOYSA-N 0 3 302.830 4.442 20 30 DIEDHN CCCN(CCc1cccc(F)c1)Cc1cccc(C#N)c1F ZINC001167368325 1036997449 /nfs/dbraw/zinc/99/74/49/1036997449.db2.gz XVXYHAKYMBDULB-UHFFFAOYSA-N 0 3 314.379 4.291 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096400 1037514046 /nfs/dbraw/zinc/51/40/46/1037514046.db2.gz DSWXIJYQQRSZEK-FZKQIMNGSA-N 0 3 324.449 4.455 20 30 DIEDHN COc1cccc2cc([C@@H](C)NCc3ccc(CC#N)cc3)oc21 ZINC000581693845 1037918315 /nfs/dbraw/zinc/91/83/15/1037918315.db2.gz RNERZNGANQWCCA-CQSZACIVSA-N 0 3 320.392 4.358 20 30 DIEDHN CCN([C@H](C)c1cnc(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602442952 1038006743 /nfs/dbraw/zinc/00/67/43/1038006743.db2.gz CYYDKXDDXFTMGB-LSDHHAIUSA-N 0 3 308.429 4.109 20 30 DIEDHN C[C@@H](CCC#N)CN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000602448370 1038009914 /nfs/dbraw/zinc/00/99/14/1038009914.db2.gz GAZXEWCNLKHRBY-YJBOKZPZSA-N 0 3 310.445 4.040 20 30 DIEDHN COc1cc(C)c([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176236 1038035194 /nfs/dbraw/zinc/03/51/94/1038035194.db2.gz HZSVEMCWLJFLIT-CABCVRRESA-N 0 3 324.424 4.296 20 30 DIEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177118 1038040441 /nfs/dbraw/zinc/04/04/41/1038040441.db2.gz KEAXDJWCAUJGCD-RDTXWAMCSA-N 0 3 322.408 4.131 20 30 DIEDHN Cc1cccc([C@H](NC2CCC(C#N)CC2)c2ccccn2)c1 ZINC000602582327 1038046895 /nfs/dbraw/zinc/04/68/95/1038046895.db2.gz WKKGLIKEDIERPM-NLPFYKDJSA-N 0 3 305.425 4.151 20 30 DIEDHN CCc1ccc(-c2noc([C@@H](C)NC3CCC(C#N)CC3)n2)cc1 ZINC000602649798 1038054995 /nfs/dbraw/zinc/05/49/95/1038054995.db2.gz ZKOOZVFVKFYMEQ-BZOOQXSSSA-N 0 3 324.428 4.032 20 30 DIEDHN C[C@@H](c1cccc(F)c1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908654 1038105537 /nfs/dbraw/zinc/10/55/37/1038105537.db2.gz FUEUFGYZTUFVMV-AWEZNQCLSA-N 0 3 309.388 4.033 20 30 DIEDHN CSc1cccc(CN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602904978 1038109363 /nfs/dbraw/zinc/10/93/63/1038109363.db2.gz BWPVBOWPEAAUEI-UHFFFAOYSA-N 0 3 323.465 4.055 20 30 DIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2nccs2)CC1 ZINC000602954035 1038116397 /nfs/dbraw/zinc/11/63/97/1038116397.db2.gz GNBBONTWHJLMOC-AWEZNQCLSA-N 0 3 311.454 4.030 20 30 DIEDHN Cc1cc(CNCc2ccccc2CC(F)(F)F)ccc1C#N ZINC000599018361 1038221384 /nfs/dbraw/zinc/22/13/84/1038221384.db2.gz WLNIZHZNBMMGOQ-UHFFFAOYSA-N 0 3 318.342 4.261 20 30 DIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1C(F)(F)F ZINC000599050819 1038230181 /nfs/dbraw/zinc/23/01/81/1038230181.db2.gz DHPQAUGKVQVFCJ-JBLDHEPKSA-N 0 3 300.299 4.187 20 30 DIEDHN CCC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000341703932 1038236351 /nfs/dbraw/zinc/23/63/51/1038236351.db2.gz ZEEZIFKYMHERED-AZUAARDMSA-N 0 3 305.425 4.462 20 30 DIEDHN CCC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000341703934 1038236377 /nfs/dbraw/zinc/23/63/77/1038236377.db2.gz ZEEZIFKYMHERED-QUCCMNQESA-N 0 3 305.425 4.462 20 30 DIEDHN CN(CCSc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000603581047 1038250024 /nfs/dbraw/zinc/25/00/24/1038250024.db2.gz AIWYBOCPPXWGCM-UHFFFAOYSA-N 0 3 316.857 4.436 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756050 1038260595 /nfs/dbraw/zinc/26/05/95/1038260595.db2.gz BSPIOOTVLLDMMM-SCLBCKFNSA-N 0 3 320.392 4.015 20 30 DIEDHN C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000593718462 1038262347 /nfs/dbraw/zinc/26/23/47/1038262347.db2.gz HOZYRXRNQUCBOD-VHFSOBRXSA-N 0 3 324.399 4.268 20 30 DIEDHN Cc1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000599349268 1038271450 /nfs/dbraw/zinc/27/14/50/1038271450.db2.gz NZTGGKXIXSKMDY-CYBMUJFWSA-N 0 3 316.351 4.319 20 30 DIEDHN COc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)c(C)c1OC ZINC000599418865 1038279293 /nfs/dbraw/zinc/27/92/93/1038279293.db2.gz BRXWTXVJFCKGNG-HNNXBMFYSA-N 0 3 324.424 4.043 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2CCc2ccccc2)c1 ZINC000603855825 1038303436 /nfs/dbraw/zinc/30/34/36/1038303436.db2.gz VBFQIZPENCRGRS-LJQANCHMSA-N 0 3 308.400 4.295 20 30 DIEDHN CN(C)[C@@H](CNc1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000603871582 1038309262 /nfs/dbraw/zinc/30/92/62/1038309262.db2.gz HGHQCTNUPCDSNF-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830369 1038373371 /nfs/dbraw/zinc/37/33/71/1038373371.db2.gz OLSBFGSZJJVIPM-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)c1cccc(C#N)c1 ZINC000610830543 1038373443 /nfs/dbraw/zinc/37/34/43/1038373443.db2.gz ZWCWUCDMLUXYPX-KGLIPLIRSA-N 0 3 311.404 4.175 20 30 DIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1c(C)cc(C)cc1C ZINC000604493447 1038420687 /nfs/dbraw/zinc/42/06/87/1038420687.db2.gz RKMWNIRRRLVPBG-UHFFFAOYSA-N 0 3 322.452 4.132 20 30 DIEDHN Cc1cccc([C@@H]2CCCCN2Cc2ccnc(C#N)c2)c1C ZINC000610993740 1038422507 /nfs/dbraw/zinc/42/25/07/1038422507.db2.gz FXVWPARTUASGDD-FQEVSTJZSA-N 0 3 305.425 4.297 20 30 DIEDHN C=CCN1CCC(NC(=O)N(CCCC)[C@H](C)CCCC)CC1 ZINC000458348813 1038426411 /nfs/dbraw/zinc/42/64/11/1038426411.db2.gz ZQGHIRUYRKBQGY-QGZVFWFLSA-N 0 3 323.525 4.027 20 30 DIEDHN N#Cc1cc(CN2CCC[C@@H](CCCc3ccccc3)C2)ccn1 ZINC000610995581 1038426453 /nfs/dbraw/zinc/42/64/53/1038426453.db2.gz LOLNQUMMPXNFDQ-LJQANCHMSA-N 0 3 319.452 4.188 20 30 DIEDHN C=CCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000472041694 1038485253 /nfs/dbraw/zinc/48/52/53/1038485253.db2.gz ACNQRNWZBKNBMW-UHFFFAOYSA-N 0 3 317.414 4.164 20 30 DIEDHN CCC[N@H+](CC#Cc1ccccc1Cl)Cc1ccccc1[O-] ZINC001167521696 1038546706 /nfs/dbraw/zinc/54/67/06/1038546706.db2.gz GMOCMYVECWFGJP-UHFFFAOYSA-N 0 3 313.828 4.309 20 30 DIEDHN CCC[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1[O-] ZINC001167521696 1038546713 /nfs/dbraw/zinc/54/67/13/1038546713.db2.gz GMOCMYVECWFGJP-UHFFFAOYSA-N 0 3 313.828 4.309 20 30 DIEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000172210044 1038563980 /nfs/dbraw/zinc/56/39/80/1038563980.db2.gz HYYLFVBEEABOAF-SWLSCSKDSA-N 0 3 322.339 4.337 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000582389757 1038651085 /nfs/dbraw/zinc/65/10/85/1038651085.db2.gz BAGOPIJFMHJYNR-QHAWAJNXSA-N 0 3 318.420 4.055 20 30 DIEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cccc2cccnc21 ZINC000063300349 1038692413 /nfs/dbraw/zinc/69/24/13/1038692413.db2.gz UPHJYXSYCSFBJE-UHFFFAOYSA-N 0 3 313.404 4.295 20 30 DIEDHN N#CC(=C([O-])c1ccoc1C1CC1)c1nccc2ccccc21 ZINC000342680807 1038718550 /nfs/dbraw/zinc/71/85/50/1038718550.db2.gz XKQUVCOPANJCLJ-MRXNPFEDSA-N 0 3 302.333 4.195 20 30 DIEDHN N#CC(C(=O)c1ccoc1C1CC1)c1nccc2ccccc21 ZINC000342680807 1038718556 /nfs/dbraw/zinc/71/85/56/1038718556.db2.gz XKQUVCOPANJCLJ-MRXNPFEDSA-N 0 3 302.333 4.195 20 30 DIEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000075755670 1038759830 /nfs/dbraw/zinc/75/98/30/1038759830.db2.gz GWMRSHPXTVDOPO-OAHLLOKOSA-N 0 3 324.424 4.205 20 30 DIEDHN N#Cc1cccc(C2(N[C@H]3CCCc4cc(F)ccc43)CC2)c1 ZINC000342771970 1038768049 /nfs/dbraw/zinc/76/80/49/1038768049.db2.gz AFDJFSFWBKUCOY-IBGZPJMESA-N 0 3 306.384 4.354 20 30 DIEDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174430296 1038939294 /nfs/dbraw/zinc/93/92/94/1038939294.db2.gz KGNSESCGONGFAV-INIZCTEOSA-N 0 3 307.441 4.255 20 30 DIEDHN C#CCCOc1ccc(CNCc2oc3ccccc3c2C)cc1 ZINC000237604550 1038948662 /nfs/dbraw/zinc/94/86/62/1038948662.db2.gz WFFCTWGOCDQLOT-UHFFFAOYSA-N 0 3 319.404 4.433 20 30 DIEDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155106 1039223833 /nfs/dbraw/zinc/22/38/33/1039223833.db2.gz ANGRYFHKXJONGY-ACJLOTCBSA-N 0 3 309.369 4.268 20 30 DIEDHN CC[C@@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278354994 1039410157 /nfs/dbraw/zinc/41/01/57/1039410157.db2.gz ZRXQVPSAIMQION-VBKZILBWSA-N 0 3 321.424 4.319 20 30 DIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 ZINC000278391879 1039435745 /nfs/dbraw/zinc/43/57/45/1039435745.db2.gz DVZANPOMSZXMOO-IBGZPJMESA-N 0 3 301.393 4.160 20 30 DIEDHN CC[C@H](CSC)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540198169 1039455544 /nfs/dbraw/zinc/45/55/44/1039455544.db2.gz FXYHKSKRVFCNQC-OAHLLOKOSA-N 0 3 315.404 4.130 20 30 DIEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1F ZINC000540350177 1039484425 /nfs/dbraw/zinc/48/44/25/1039484425.db2.gz LMRCGFMTXCSGDV-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN CCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1F ZINC000278639197 1039612040 /nfs/dbraw/zinc/61/20/40/1039612040.db2.gz HJOQLXGTDOUFKF-GOSISDBHSA-N 0 3 312.388 4.337 20 30 DIEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000135211956 1039667184 /nfs/dbraw/zinc/66/71/84/1039667184.db2.gz FMSFXASCKMJPOO-HNNXBMFYSA-N 0 3 308.425 4.386 20 30 DIEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000135211979 1039667220 /nfs/dbraw/zinc/66/72/20/1039667220.db2.gz FMSFXASCKMJPOO-OAHLLOKOSA-N 0 3 308.425 4.386 20 30 DIEDHN C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccc(C#N)o1 ZINC000584318641 1039672539 /nfs/dbraw/zinc/67/25/39/1039672539.db2.gz SZHBNRNOWCNCER-GFCCVEGCSA-N 0 3 322.330 4.233 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccnc3ccccc23)C2CC2)cc1 ZINC000541553325 1039702510 /nfs/dbraw/zinc/70/25/10/1039702510.db2.gz HMURRSHOJFWRDS-UHFFFAOYSA-N 0 3 313.404 4.271 20 30 DIEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(COC(C)(C)C)on1 ZINC000657982112 1040247284 /nfs/dbraw/zinc/24/72/84/1040247284.db2.gz UYDRPZJTKCEVBN-RHSMWYFYSA-N 0 3 306.450 4.214 20 30 DIEDHN N#CC(C(=O)c1cccc2c1CCCC2)c1nc(C2CC2)cs1 ZINC000647380238 1040386681 /nfs/dbraw/zinc/38/66/81/1040386681.db2.gz WAZFAMQDKWZKNG-MRXNPFEDSA-N 0 3 322.433 4.389 20 30 DIEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000658334503 1040425078 /nfs/dbraw/zinc/42/50/78/1040425078.db2.gz KVJSMGMAZKDAME-FRQCXROJSA-N 0 3 311.425 4.024 20 30 DIEDHN N#CCC[C@@H](C#N)CNCC1(c2ccc(Cl)cc2)CCCC1 ZINC000066484187 1040855062 /nfs/dbraw/zinc/85/50/62/1040855062.db2.gz KIMCSPQIQWKZOA-HNNXBMFYSA-N 0 3 315.848 4.185 20 30 DIEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1OC(F)F ZINC000414160080 1040935464 /nfs/dbraw/zinc/93/54/64/1040935464.db2.gz CGBCLIAJHZGYFA-SNVBAGLBSA-N 0 3 300.324 4.018 20 30 DIEDHN CC[C@H](C)Oc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000175082758 1041034883 /nfs/dbraw/zinc/03/48/83/1041034883.db2.gz YVQWPDANEYUYQO-SWLSCSKDSA-N 0 3 314.410 4.119 20 30 DIEDHN C#Cc1ccc(CNCc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000809611584 1041194658 /nfs/dbraw/zinc/19/46/58/1041194658.db2.gz HLOHDMOZJXHEEH-UHFFFAOYSA-N 0 3 318.445 4.390 20 30 DIEDHN C#Cc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000809627042 1041207580 /nfs/dbraw/zinc/20/75/80/1041207580.db2.gz OEUNMWVLWJUSHI-IBGZPJMESA-N 0 3 303.405 4.204 20 30 DIEDHN C#C[C@H](C)NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000809683965 1041224930 /nfs/dbraw/zinc/22/49/30/1041224930.db2.gz SXARCBWQOJYYNL-ZDUSSCGKSA-N 0 3 315.848 4.070 20 30 DIEDHN C#CCCOc1ccc(CN(CC)[C@@H](C)c2cccnc2)cc1 ZINC000809766110 1041250800 /nfs/dbraw/zinc/25/08/00/1041250800.db2.gz VCRPONVEYDXRPK-KRWDZBQOSA-N 0 3 308.425 4.067 20 30 DIEDHN CC(C)Oc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000810211210 1041337023 /nfs/dbraw/zinc/33/70/23/1041337023.db2.gz OOSROBUNXFCLSV-HXUWFJFHSA-N 0 3 306.409 4.123 20 30 DIEDHN CC(C)CCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000236786254 1041464607 /nfs/dbraw/zinc/46/46/07/1041464607.db2.gz UXHLNUNPTOMQAR-UHFFFAOYSA-N 0 3 308.425 4.273 20 30 DIEDHN N#Cc1ccc(CN(Cc2cc3ccccc3o2)C2CC2)cc1 ZINC000541388553 1041570215 /nfs/dbraw/zinc/57/02/15/1041570215.db2.gz ITNXGSVAXWLZQU-UHFFFAOYSA-N 0 3 302.377 4.469 20 30 DIEDHN C#CCCCCN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000812724418 1041641532 /nfs/dbraw/zinc/64/15/32/1041641532.db2.gz CLKFUAMUKFLSKP-ZDUSSCGKSA-N 0 3 302.418 4.403 20 30 DIEDHN C#C[C@H](N[C@@H]1CCC[C@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792889 1041650941 /nfs/dbraw/zinc/65/09/41/1041650941.db2.gz JXEJFMGWZUHXHE-DBVUQKKJSA-N 0 3 308.400 4.211 20 30 DIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393386 1041668017 /nfs/dbraw/zinc/66/80/17/1041668017.db2.gz UGPYJAKWCLVZSU-BFUOFWGJSA-N 0 3 321.380 4.195 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1scnc1C1CC1 ZINC000418143869 1041731717 /nfs/dbraw/zinc/73/17/17/1041731717.db2.gz JHRZOWYWFYTAPU-MRXNPFEDSA-N 0 3 309.438 4.059 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cc(C)oc2C)o1 ZINC000661118674 1041888365 /nfs/dbraw/zinc/88/83/65/1041888365.db2.gz JKBFKDOXYZOVDY-ZBFHGGJFSA-N 0 3 315.417 4.171 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2ccsc2)no1 ZINC000661119708 1041889447 /nfs/dbraw/zinc/88/94/47/1041889447.db2.gz WKOZHTXPZIQTRP-GXTWGEPZSA-N 0 3 303.431 4.023 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc([C@@H](C)OCC)n1 ZINC000661118153 1041890476 /nfs/dbraw/zinc/89/04/76/1041890476.db2.gz XBLUYSIXUDKYTA-FMKPAKJESA-N 0 3 308.491 4.465 20 30 DIEDHN CC(C)N(Cc1cccnc1)Cc1ccccc1C(C)(C)C#N ZINC000093223803 1041903388 /nfs/dbraw/zinc/90/33/88/1041903388.db2.gz XYLHMOWCACQUFN-UHFFFAOYSA-N 0 3 307.441 4.293 20 30 DIEDHN C=CCOCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000815078148 1041910740 /nfs/dbraw/zinc/91/07/40/1041910740.db2.gz PKDLYAQWDOADMB-QGZVFWFLSA-N 0 3 311.425 4.158 20 30 DIEDHN C=CCOCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000815078148 1041910747 /nfs/dbraw/zinc/91/07/47/1041910747.db2.gz PKDLYAQWDOADMB-QGZVFWFLSA-N 0 3 311.425 4.158 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142379 1041925364 /nfs/dbraw/zinc/92/53/64/1041925364.db2.gz RQSUGWCKMDCGAH-UHFFFAOYSA-N 0 3 315.363 4.100 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](C)c1cccc(C2CC2)c1 ZINC000815593863 1041969277 /nfs/dbraw/zinc/96/92/77/1041969277.db2.gz ZLGWJQZWYGOOIN-MRXNPFEDSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@@H](N[C@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599561 1041970214 /nfs/dbraw/zinc/97/02/14/1041970214.db2.gz VZYZRRMGLBEEKX-WOJBJXKFSA-N 0 3 321.420 4.279 20 30 DIEDHN N#CCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000815622313 1041976636 /nfs/dbraw/zinc/97/66/36/1041976636.db2.gz RIFYENQNAIUJMJ-IBGZPJMESA-N 0 3 320.436 4.350 20 30 DIEDHN N#CC(C(=O)[C@H]1CC2CCC1CC2)c1ccc2ccccc2n1 ZINC000815899138 1042001019 /nfs/dbraw/zinc/00/10/19/1042001019.db2.gz GTRYHDFDYLILKQ-YQEWQEHLSA-N 0 3 304.393 4.237 20 30 DIEDHN C=CCC1(NCc2coc(-c3ccc(OC)cc3)n2)CCCC1 ZINC000661848487 1042005806 /nfs/dbraw/zinc/00/58/06/1042005806.db2.gz FBIVQDYKTYQKOF-UHFFFAOYSA-N 0 3 312.413 4.329 20 30 DIEDHN CCOc1cncc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000598644350 1042045708 /nfs/dbraw/zinc/04/57/08/1042045708.db2.gz JIBFAAPJNOOEHD-IBGZPJMESA-N 0 3 309.413 4.005 20 30 DIEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000125694639 1042075726 /nfs/dbraw/zinc/07/57/26/1042075726.db2.gz PEBLMNVAMWQUDB-CYBMUJFWSA-N 0 3 316.451 4.130 20 30 DIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc2[nH]ccc21 ZINC000093872515 1042079429 /nfs/dbraw/zinc/07/94/29/1042079429.db2.gz UVEZMEZDKRKIEY-TZIWHRDSSA-N 0 3 315.420 4.440 20 30 DIEDHN N#Cc1ccc2c(c1)CN([C@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170916380 1042162896 /nfs/dbraw/zinc/16/28/96/1042162896.db2.gz CQFXUZXRZRPRQZ-SFHVURJKSA-N 0 3 322.839 4.127 20 30 DIEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170922298 1042169513 /nfs/dbraw/zinc/16/95/13/1042169513.db2.gz YFUGASRMAOKUEJ-SFHVURJKSA-N 0 3 322.839 4.127 20 30 DIEDHN C#C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091807 1042190467 /nfs/dbraw/zinc/19/04/67/1042190467.db2.gz SQKXBKYGNBXXLR-IAGOWNOFSA-N 0 3 303.833 4.096 20 30 DIEDHN CC[C@@H](C)Oc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000066971919 1042210931 /nfs/dbraw/zinc/21/09/31/1042210931.db2.gz HAOWEBUITLHVJN-OAHLLOKOSA-N 0 3 324.424 4.034 20 30 DIEDHN C=CCOc1ccc(CNCc2cccc(C#N)c2)cc1Cl ZINC000066971886 1042211052 /nfs/dbraw/zinc/21/10/52/1042211052.db2.gz OCBURUYPQCHLRM-UHFFFAOYSA-N 0 3 312.800 4.066 20 30 DIEDHN CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000320327574 1042372420 /nfs/dbraw/zinc/37/24/20/1042372420.db2.gz XWESDLVIGWIEKF-UHFFFAOYSA-N 0 3 320.314 4.089 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685051 1042420664 /nfs/dbraw/zinc/42/06/64/1042420664.db2.gz NLHXCKFUGSCNHI-HUUCEWRRSA-N 0 3 324.380 4.019 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000614177566 1042422614 /nfs/dbraw/zinc/42/26/14/1042422614.db2.gz YITHYIIWJVNKOS-LJQANCHMSA-N 0 3 305.425 4.220 20 30 DIEDHN Cn1cc([C@H](NCc2ccc(C(C)(C)C#N)cc2)C(C)(C)C)cn1 ZINC000614179660 1042423280 /nfs/dbraw/zinc/42/32/80/1042423280.db2.gz WFBMXGBQLRPCFG-SFHVURJKSA-N 0 3 324.472 4.098 20 30 DIEDHN Cc1cc(C#N)ccc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000614403108 1042491904 /nfs/dbraw/zinc/49/19/04/1042491904.db2.gz DHQZQPRSOGPBLM-UHFFFAOYSA-N 0 3 313.404 4.028 20 30 DIEDHN COc1cc(CN(C)[C@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000389888811 1042496976 /nfs/dbraw/zinc/49/69/76/1042496976.db2.gz MXVLDTJJFJYFSI-CYBMUJFWSA-N 0 3 314.816 4.413 20 30 DIEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000280611564 1042576809 /nfs/dbraw/zinc/57/68/09/1042576809.db2.gz KDHGHFXZRACTCA-MQMHXKEQSA-N 0 3 320.314 4.206 20 30 DIEDHN CC[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805720 1042610917 /nfs/dbraw/zinc/61/09/17/1042610917.db2.gz PAJGGYSVRIQMKS-OALUTQOASA-N 0 3 321.380 4.195 20 30 DIEDHN C=C(C)CN(CC)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000513739102 1042623574 /nfs/dbraw/zinc/62/35/74/1042623574.db2.gz DKHFTFJCKJKFCM-UHFFFAOYSA-N 0 3 308.425 4.337 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(C#N)c(F)c2)c(C)c1 ZINC000421348779 1042631823 /nfs/dbraw/zinc/63/18/23/1042631823.db2.gz BMJCINHEFIGALT-UHFFFAOYSA-N 0 3 312.388 4.084 20 30 DIEDHN CC[C@H]1c2ccsc2CCN1CCOc1ccc(C#N)cc1 ZINC000016420403 1042639080 /nfs/dbraw/zinc/63/90/80/1042639080.db2.gz DWJFCSLKSRTEON-KRWDZBQOSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@H](NCc1ccc(C#N)s1)c1cc2c(s1)CCCC2 ZINC000421866235 1042659008 /nfs/dbraw/zinc/65/90/08/1042659008.db2.gz BACRIGKXHKCQJM-NSHDSACASA-N 0 3 302.468 4.411 20 30 DIEDHN COCCC[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000421869101 1042661630 /nfs/dbraw/zinc/66/16/30/1042661630.db2.gz DMDIDNXZOUWTIF-QGZVFWFLSA-N 0 3 318.417 4.016 20 30 DIEDHN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442993 1042712325 /nfs/dbraw/zinc/71/23/25/1042712325.db2.gz PYIMQAIMVDTPHZ-FZKQIMNGSA-N 0 3 321.424 4.093 20 30 DIEDHN COc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000424330810 1042734213 /nfs/dbraw/zinc/73/42/13/1042734213.db2.gz REUWRNNBOGUGEX-CVAIRZPRSA-N 0 3 306.409 4.066 20 30 DIEDHN Cc1cc(C)c2c(c1)[C@H](NCc1cccc(C#N)c1)CCCO2 ZINC000151390824 1043022344 /nfs/dbraw/zinc/02/23/44/1043022344.db2.gz KVCZJZLQBHLXLK-LJQANCHMSA-N 0 3 306.409 4.179 20 30 DIEDHN COc1cc(C)c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918885 1043056099 /nfs/dbraw/zinc/05/60/99/1043056099.db2.gz JPOGEWISMHTTBL-GJZGRUSLSA-N 0 3 324.424 4.296 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2c1NCCC2 ZINC000895024908 1043069486 /nfs/dbraw/zinc/06/94/86/1043069486.db2.gz KMVAZHZQLLLECE-FQEVSTJZSA-N 0 3 317.436 4.084 20 30 DIEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cc2cnccc2o1 ZINC000865855133 1043141316 /nfs/dbraw/zinc/14/13/16/1043141316.db2.gz VVGSPDLMLOITAE-CQSZACIVSA-N 0 3 317.392 4.234 20 30 DIEDHN C#CCCOc1ccc(CN[C@@H](C)c2cc3cnccc3o2)cc1 ZINC000865854210 1043141447 /nfs/dbraw/zinc/14/14/47/1043141447.db2.gz MZJAARLMCDSWCK-HNNXBMFYSA-N 0 3 320.392 4.081 20 30 DIEDHN C=CCC[C@H](O)CNCc1cc(Cl)cc(Cl)c1Cl ZINC001252619647 1043145190 /nfs/dbraw/zinc/14/51/90/1043145190.db2.gz NWNJHWSYYBJKEV-NSHDSACASA-N 0 3 308.636 4.064 20 30 DIEDHN CC(C)CCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186163717 1043217307 /nfs/dbraw/zinc/21/73/07/1043217307.db2.gz TVEJANNBIAEBKO-INIZCTEOSA-N 0 3 300.446 4.146 20 30 DIEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619469 1043238365 /nfs/dbraw/zinc/23/83/65/1043238365.db2.gz GKHWOKZQXFBVEU-PXAZEXFGSA-N 0 3 303.365 4.038 20 30 DIEDHN C=CCN1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191514825 1043261414 /nfs/dbraw/zinc/26/14/14/1043261414.db2.gz HQVIYIMPKMTHPH-UHFFFAOYSA-N 0 3 314.454 4.184 20 30 DIEDHN CC1=Nc2ccccc2C12CCN(Cc1cc(C#N)cs1)CC2 ZINC000895131943 1043293463 /nfs/dbraw/zinc/29/34/63/1043293463.db2.gz VYYAAMAGMVARMQ-UHFFFAOYSA-N 0 3 321.449 4.260 20 30 DIEDHN Cn1c2ccccc2nc1[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000267820986 1043309567 /nfs/dbraw/zinc/30/95/67/1043309567.db2.gz OVFFPJGRPDUFGL-KRWDZBQOSA-N 0 3 310.445 4.040 20 30 DIEDHN COc1cccc(CN(C)Cc2ccccc2C(C)(C)C#N)c1 ZINC000487417270 1043386078 /nfs/dbraw/zinc/38/60/78/1043386078.db2.gz SJECJIFPMDVRMH-UHFFFAOYSA-N 0 3 308.425 4.128 20 30 DIEDHN CCN(Cc1cccc(OCCCC#N)c1)[C@@H](C)c1cccnc1 ZINC000521317910 1043387084 /nfs/dbraw/zinc/38/70/84/1043387084.db2.gz DSQQASYOXMDVRV-KRWDZBQOSA-N 0 3 323.440 4.347 20 30 DIEDHN C#CCCCN(CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000271010111 1043399960 /nfs/dbraw/zinc/39/99/60/1043399960.db2.gz HSOSAEMPQWCXKR-UHFFFAOYSA-N 0 3 317.820 4.015 20 30 DIEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(OC)c1 ZINC000442796684 1043425521 /nfs/dbraw/zinc/42/55/21/1043425521.db2.gz GKPKGQHCWDEYMN-OAHLLOKOSA-N 0 3 324.424 4.159 20 30 DIEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000442799184 1043425966 /nfs/dbraw/zinc/42/59/66/1043425966.db2.gz KAWIASIXDQDOEI-OAHLLOKOSA-N 0 3 319.408 4.022 20 30 DIEDHN COc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796263 1043426668 /nfs/dbraw/zinc/42/66/68/1043426668.db2.gz VSIITXGINKSLIG-OZOXKJRCSA-N 0 3 320.436 4.375 20 30 DIEDHN C#CC[C@H](N[C@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557469 1043437052 /nfs/dbraw/zinc/43/70/52/1043437052.db2.gz SZXCSYYTYHBSLC-UTKZUKDTSA-N 0 3 323.436 4.127 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000442891505 1043452069 /nfs/dbraw/zinc/45/20/69/1043452069.db2.gz NJKXIBVWMYWGLC-BBRMVZONSA-N 0 3 312.363 4.387 20 30 DIEDHN C=CC[C@H](CO)CN[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694751 1043454682 /nfs/dbraw/zinc/45/46/82/1043454682.db2.gz FLHMFPLDUKKCRH-LAUBAEHRSA-N 0 3 324.468 4.069 20 30 DIEDHN N#Cc1cccc(CN2CCC(Cc3ccccc3F)CC2)c1 ZINC000558247328 1043470707 /nfs/dbraw/zinc/47/07/07/1043470707.db2.gz VYXRRTUXAHOJCX-UHFFFAOYSA-N 0 3 308.400 4.152 20 30 DIEDHN N#Cc1ccc(OC2CCN(Cc3ccc(CF)cc3)CC2)cc1 ZINC000777578029 1043482527 /nfs/dbraw/zinc/48/25/27/1043482527.db2.gz GQUDODLURHVRCL-UHFFFAOYSA-N 0 3 324.399 4.071 20 30 DIEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccccc2[nH]1 ZINC000925927093 1043494258 /nfs/dbraw/zinc/49/42/58/1043494258.db2.gz XVRQSOWMLQVLNQ-CQSZACIVSA-N 0 3 301.393 4.379 20 30 DIEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2ccccc2[nH]1 ZINC000925927090 1043495222 /nfs/dbraw/zinc/49/52/22/1043495222.db2.gz XVRQSOWMLQVLNQ-AWEZNQCLSA-N 0 3 301.393 4.379 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124070165 1043495648 /nfs/dbraw/zinc/49/56/48/1043495648.db2.gz GDIUOKPNIUAUHA-FOIQADDNSA-N 0 3 324.399 4.454 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000777587543 1043534813 /nfs/dbraw/zinc/53/48/13/1043534813.db2.gz UOVKAHOTSSAZLK-IIBYNOLFSA-N 0 3 320.436 4.065 20 30 DIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCSc3ccccc31)CC2 ZINC000353272299 1043596112 /nfs/dbraw/zinc/59/61/12/1043596112.db2.gz LNEBSALWOZJDKL-ROUUACIJSA-N 0 3 306.434 4.372 20 30 DIEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000926903555 1043652808 /nfs/dbraw/zinc/65/28/08/1043652808.db2.gz WNFRDYWUBXYRPA-UONOGXRCSA-N 0 3 312.388 4.426 20 30 DIEDHN CCN(C)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353915921 1043657416 /nfs/dbraw/zinc/65/74/16/1043657416.db2.gz ONWAVMCPPWWSSB-LJQANCHMSA-N 0 3 322.456 4.062 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000927063319 1043677320 /nfs/dbraw/zinc/67/73/20/1043677320.db2.gz DQECMKUYMQXJNQ-UXHICEINSA-N 0 3 317.436 4.388 20 30 DIEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000876592479 1043699445 /nfs/dbraw/zinc/69/94/45/1043699445.db2.gz SGPDXPSYHATKTF-HNNXBMFYSA-N 0 3 308.853 4.342 20 30 DIEDHN C=C(C)CN(Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000355209390 1043750273 /nfs/dbraw/zinc/75/02/73/1043750273.db2.gz AWMUCALIOCVVBA-UHFFFAOYSA-N 0 3 318.424 4.050 20 30 DIEDHN C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1[O-] ZINC000877756535 1043792141 /nfs/dbraw/zinc/79/21/41/1043792141.db2.gz PYFHVRLJELBUMZ-SRWJYRBRSA-N 0 3 320.436 4.447 20 30 DIEDHN C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1[O-] ZINC000877757327 1043792736 /nfs/dbraw/zinc/79/27/36/1043792736.db2.gz PYFHVRLJELBUMZ-AFJQURTJSA-N 0 3 320.436 4.447 20 30 DIEDHN C=CCCC[C@H](NCc1cnn(C)c1C1CC1)c1ccccc1 ZINC000896020037 1043806166 /nfs/dbraw/zinc/80/61/66/1043806166.db2.gz ZMYPSZZRSFULIU-IBGZPJMESA-N 0 3 309.457 4.485 20 30 DIEDHN C#CCCCCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000877990077 1043836291 /nfs/dbraw/zinc/83/62/91/1043836291.db2.gz NGILNWPNWWSPSF-RYUDHWBXSA-N 0 3 315.301 4.243 20 30 DIEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000329159930 1043947360 /nfs/dbraw/zinc/94/73/60/1043947360.db2.gz XXIUONFUQCHMBZ-JKSUJKDBSA-N 0 3 317.477 4.070 20 30 DIEDHN CCCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000562082729 1044063759 /nfs/dbraw/zinc/06/37/59/1044063759.db2.gz ZFKIEXMYJFVBLZ-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000281394382 1044128613 /nfs/dbraw/zinc/12/86/13/1044128613.db2.gz YHIXHYLBWWWLCX-XIKOKIGWSA-N 0 3 310.372 4.044 20 30 DIEDHN C#CCC1(NCc2coc(-c3ccccc3OC)n2)CCCCC1 ZINC000933265637 1044190205 /nfs/dbraw/zinc/19/02/05/1044190205.db2.gz HHZNQVBTDVETQH-UHFFFAOYSA-N 0 3 324.424 4.166 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000130145454 1044194589 /nfs/dbraw/zinc/19/45/89/1044194589.db2.gz LNNPUVFXXYLXBW-OAHLLOKOSA-N 0 3 324.399 4.281 20 30 DIEDHN COc1ccc([C@@H]2CCCN2CCC2(C#N)CCCCC2)nc1 ZINC000934341383 1044240002 /nfs/dbraw/zinc/24/00/02/1044240002.db2.gz JVFXRFSEYLGWRP-SFHVURJKSA-N 0 3 313.445 4.091 20 30 DIEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nn(C)cc1C(F)F ZINC000883242625 1044243647 /nfs/dbraw/zinc/24/36/47/1044243647.db2.gz MEYHAUXTSYPFOT-HNNXBMFYSA-N 0 3 319.399 4.025 20 30 DIEDHN C=CCCC[C@@H](NCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000883325240 1044272970 /nfs/dbraw/zinc/27/29/70/1044272970.db2.gz URGWZAWKIGLCAH-QGZVFWFLSA-N 0 3 314.454 4.034 20 30 DIEDHN C=CCCC[C@H](NCc1cnc(Cl)n1C)c1ccccc1 ZINC000883324851 1044274671 /nfs/dbraw/zinc/27/46/71/1044274671.db2.gz GUDKHJKADOVOFE-INIZCTEOSA-N 0 3 303.837 4.261 20 30 DIEDHN COc1cc(C)c(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000186193912 1044304312 /nfs/dbraw/zinc/30/43/12/1044304312.db2.gz HUOJOFWKJBNDEF-OAHLLOKOSA-N 0 3 324.424 4.077 20 30 DIEDHN COc1ccc(CN[C@@H]2CC[C@H](C)c3ccccc32)cc1C#N ZINC000132326881 1044321187 /nfs/dbraw/zinc/32/11/87/1044321187.db2.gz VFAAVGKLZMONOI-IFXJQAMLSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccc(CN[C@H]2CC[C@@H](C)c3ccccc32)cc1C#N ZINC000132326268 1044321343 /nfs/dbraw/zinc/32/13/43/1044321343.db2.gz VFAAVGKLZMONOI-KUHUBIRLSA-N 0 3 306.409 4.295 20 30 DIEDHN C#CCCOc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC001202612260 1044373078 /nfs/dbraw/zinc/37/30/78/1044373078.db2.gz UVKPCIMZMXSHEI-NRFANRHFSA-N 0 3 323.411 4.395 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(C(F)(F)F)cc1)CC2 ZINC000564420527 1044376052 /nfs/dbraw/zinc/37/60/52/1044376052.db2.gz YSWZOPCXLUCTCO-QGZVFWFLSA-N 0 3 316.326 4.354 20 30 DIEDHN Cc1nc2ccccc2n1CCCCCN(CCC#N)CC1CC1 ZINC000361309193 1044390636 /nfs/dbraw/zinc/39/06/36/1044390636.db2.gz NWUHLUKBNFMOIY-UHFFFAOYSA-N 0 3 324.472 4.141 20 30 DIEDHN N#CC(C(=O)c1cncc2ccccc21)c1nccc2ccccc21 ZINC000361541674 1044417768 /nfs/dbraw/zinc/41/77/68/1044417768.db2.gz RSVMDVJZTJLWTJ-SFHVURJKSA-N 0 3 323.355 4.273 20 30 DIEDHN N#CCC[C@H](C#N)CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000565353374 1044429237 /nfs/dbraw/zinc/42/92/37/1044429237.db2.gz ZPAMXYLKRBSXQT-UNEWFSDZSA-N 0 3 301.821 4.009 20 30 DIEDHN N#CC(C(=O)CCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000041495380 1044493795 /nfs/dbraw/zinc/49/37/95/1044493795.db2.gz HKOSHWWCADARAC-AWEZNQCLSA-N 0 3 323.783 4.025 20 30 DIEDHN N#CCC[C@H](C#N)CNC[C@H](Cc1ccccc1)c1ccccc1 ZINC000567169741 1044546053 /nfs/dbraw/zinc/54/60/53/1044546053.db2.gz IVRTXZGRXUWVED-CTNGQTDRSA-N 0 3 317.436 4.046 20 30 DIEDHN CCCCCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000884825556 1044554066 /nfs/dbraw/zinc/55/40/66/1044554066.db2.gz HYQSVDOXRGJKFF-MRXNPFEDSA-N 0 3 322.518 4.362 20 30 DIEDHN N#CCCCCN1CCC[C@@H]1c1cccc(Br)c1 ZINC000362903006 1044562067 /nfs/dbraw/zinc/56/20/67/1044562067.db2.gz YMCYCVBAQLWVRN-OAHLLOKOSA-N 0 3 307.235 4.280 20 30 DIEDHN C[C@H](N[C@@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861777 1044568540 /nfs/dbraw/zinc/56/85/40/1044568540.db2.gz GPZZBWDBPLYHKW-BLLLJJGKSA-N 0 3 311.816 4.335 20 30 DIEDHN CSCCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444648485 1044582185 /nfs/dbraw/zinc/58/21/85/1044582185.db2.gz NTAMRWMYIYGULK-UHFFFAOYSA-N 0 3 324.493 4.181 20 30 DIEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000523581517 1044664543 /nfs/dbraw/zinc/66/45/43/1044664543.db2.gz UTQNHZUNWAKRCC-HNNXBMFYSA-N 0 3 314.791 4.340 20 30 DIEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(SC)c(C#N)c1)CC2 ZINC000886687682 1044680643 /nfs/dbraw/zinc/68/06/43/1044680643.db2.gz BXLHBAYZVWNCJT-SFHVURJKSA-N 0 3 324.449 4.066 20 30 DIEDHN CSc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1C#N ZINC000886689612 1044681655 /nfs/dbraw/zinc/68/16/55/1044681655.db2.gz DMJYISNWWVOXOO-GOSISDBHSA-N 0 3 324.449 4.153 20 30 DIEDHN CC[C@@H](NCc1ccc(SC)c(C#N)c1)c1ccc(C#N)cc1 ZINC000886690182 1044681786 /nfs/dbraw/zinc/68/17/86/1044681786.db2.gz QRUJECRTFVXMPS-GOSISDBHSA-N 0 3 321.449 4.393 20 30 DIEDHN C[C@H]1C[C@@H]1c1ccc(CN(CCCSCC#N)C2CC2)o1 ZINC000074980544 1044686670 /nfs/dbraw/zinc/68/66/70/1044686670.db2.gz POLSTYLQSLFLFO-BBRMVZONSA-N 0 3 304.459 4.014 20 30 DIEDHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C#N)cs1 ZINC000570606433 1044769328 /nfs/dbraw/zinc/76/93/28/1044769328.db2.gz PRZVZTMNRBCPRZ-KRWDZBQOSA-N 0 3 300.427 4.211 20 30 DIEDHN C[C@H](CC(=O)Nc1ccccc1)N[C@H](CCC#N)c1ccccc1 ZINC000123328138 1044784060 /nfs/dbraw/zinc/78/40/60/1044784060.db2.gz PQKUFDYKLQRHBD-VQIMIIECSA-N 0 3 321.424 4.038 20 30 DIEDHN C[C@@H](CC(=O)Nc1ccccc1)N[C@H](CCC#N)c1ccccc1 ZINC000123327906 1044784738 /nfs/dbraw/zinc/78/47/38/1044784738.db2.gz PQKUFDYKLQRHBD-QFBILLFUSA-N 0 3 321.424 4.038 20 30 DIEDHN COc1ccc(CN[C@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000571170965 1044799347 /nfs/dbraw/zinc/79/93/47/1044799347.db2.gz AUVPCPDQUIVJBQ-LJQANCHMSA-N 0 3 312.388 4.359 20 30 DIEDHN C[C@H](NCc1ccc(-c2ccncc2)cc1)c1ccc(C#N)cc1 ZINC000369754818 1044815661 /nfs/dbraw/zinc/81/56/61/1044815661.db2.gz ZJWPQZLFMCRCDG-INIZCTEOSA-N 0 3 313.404 4.471 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264386463 1044876711 /nfs/dbraw/zinc/87/67/11/1044876711.db2.gz QOYIEXMIGHZTJM-MRXNPFEDSA-N 0 3 322.408 4.005 20 30 DIEDHN CCC[C@@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572841319 1044877933 /nfs/dbraw/zinc/87/79/33/1044877933.db2.gz OLCYLFRKEDRIBU-LJQANCHMSA-N 0 3 323.396 4.292 20 30 DIEDHN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000264557940 1044893548 /nfs/dbraw/zinc/89/35/48/1044893548.db2.gz NNTHMQHOXONECP-CYBMUJFWSA-N 0 3 316.351 4.060 20 30 DIEDHN Cc1ccccc1C1(CNC[C@@H](C#N)CCC#N)CCCCC1 ZINC000573829359 1044925163 /nfs/dbraw/zinc/92/51/63/1044925163.db2.gz IHBYMBBTCMMAGI-GOSISDBHSA-N 0 3 309.457 4.230 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000337637807 1044932337 /nfs/dbraw/zinc/93/23/37/1044932337.db2.gz UQIUQNGJKOTJMQ-UHFFFAOYSA-N 0 3 303.409 4.061 20 30 DIEDHN COc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1SC ZINC000151388114 1045022543 /nfs/dbraw/zinc/02/25/43/1045022543.db2.gz BZJVVWXDTMIGLA-CYBMUJFWSA-N 0 3 312.438 4.140 20 30 DIEDHN CC(C)O[C@@H](CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000428452700 1045022768 /nfs/dbraw/zinc/02/27/68/1045022768.db2.gz CVGWERUYRAFAON-FQEVSTJZSA-N 0 3 308.425 4.156 20 30 DIEDHN CN(CCC1(C#N)CCCCC1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000411648614 1045023073 /nfs/dbraw/zinc/02/30/73/1045023073.db2.gz NTNZDTJQOHAOFN-UHFFFAOYSA-N 0 3 302.466 4.003 20 30 DIEDHN N#Cc1ccc(CN(C[C@@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000576209401 1045042690 /nfs/dbraw/zinc/04/26/90/1045042690.db2.gz MHBCQDKMLBKZQL-IBGZPJMESA-N 0 3 310.441 4.014 20 30 DIEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693886 1045074347 /nfs/dbraw/zinc/07/43/47/1045074347.db2.gz LSIPAKIZTCCJRX-RHSMWYFYSA-N 0 3 310.372 4.400 20 30 DIEDHN N#Cc1ccc(OCCNCc2ccc(Cl)cc2Cl)cc1 ZINC000525708319 1045113052 /nfs/dbraw/zinc/11/30/52/1045113052.db2.gz GWJUIIATZBZHDA-UHFFFAOYSA-N 0 3 321.207 4.034 20 30 DIEDHN CC[C@@H](N[C@@H](CC)c1c(C)nn(C)c1C)c1ccc(C#N)cc1 ZINC000447537231 1045141517 /nfs/dbraw/zinc/14/15/17/1045141517.db2.gz UFCQKBGMYAGPPH-MSOLQXFVSA-N 0 3 310.445 4.101 20 30 DIEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)cc(C)c1O ZINC000577918441 1045187582 /nfs/dbraw/zinc/18/75/82/1045187582.db2.gz UYECFGFTORLSOU-UHFFFAOYSA-N 0 3 306.409 4.045 20 30 DIEDHN CSc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000527123835 1045199429 /nfs/dbraw/zinc/19/94/29/1045199429.db2.gz OXKQIYTVPXSARJ-LBPRGKRZSA-N 0 3 300.402 4.270 20 30 DIEDHN Cc1[nH]c2ccc(CN[C@@H]3CCc4ccc(C#N)cc43)cc2c1C ZINC000578102305 1045208468 /nfs/dbraw/zinc/20/84/68/1045208468.db2.gz CFTAJBLRKCPMKA-HXUWFJFHSA-N 0 3 315.420 4.434 20 30 DIEDHN COc1ccc2c(c1)CC[C@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000601284097 1045211116 /nfs/dbraw/zinc/21/11/16/1045211116.db2.gz FSDCBKOBGNABPU-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN CC[C@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305033 1045214760 /nfs/dbraw/zinc/21/47/60/1045214760.db2.gz RAGDMGHQPZGCGY-LRDDRELGSA-N 0 3 321.380 4.207 20 30 DIEDHN CN(C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1ccsc1 ZINC000579293146 1045305885 /nfs/dbraw/zinc/30/58/85/1045305885.db2.gz PZZYGMXVHVRBQX-HNNXBMFYSA-N 0 3 321.396 4.272 20 30 DIEDHN N#Cc1ccc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000579290981 1045306090 /nfs/dbraw/zinc/30/60/90/1045306090.db2.gz UYYGUKPFOYMBTQ-CYBMUJFWSA-N 0 3 324.371 4.131 20 30 DIEDHN C=C(C)[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780808 1045331142 /nfs/dbraw/zinc/33/11/42/1045331142.db2.gz PEZKHDQCABPELX-ZWKOTPCHSA-N 0 3 321.342 4.044 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000189371607 1045346306 /nfs/dbraw/zinc/34/63/06/1045346306.db2.gz LAIGGSAKUXKQDJ-OXQOHEQNSA-N 0 3 321.420 4.181 20 30 DIEDHN C=CCCCC[C@@H](C)NCc1nnc(-c2ccccc2)s1 ZINC000449183596 1045359325 /nfs/dbraw/zinc/35/93/25/1045359325.db2.gz GHJLTURFZNINKC-CQSZACIVSA-N 0 3 301.459 4.430 20 30 DIEDHN CC(C)COc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000449734849 1045433143 /nfs/dbraw/zinc/43/31/43/1045433143.db2.gz ORJWYMBEUMHTSF-UHFFFAOYSA-N 0 3 312.388 4.022 20 30 DIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@]1(C)CCCS1 ZINC000628273184 1045562441 /nfs/dbraw/zinc/56/24/41/1045562441.db2.gz LMPNNCZUGPKPLX-KRWDZBQOSA-N 0 3 307.507 4.128 20 30 DIEDHN CC(C)Oc1ccc([C@H]2CCC[C@@H]2NCC2(C#N)CCC2)cc1 ZINC000450818667 1045573484 /nfs/dbraw/zinc/57/34/84/1045573484.db2.gz JAWUCDHSOGFCHT-MOPGFXCFSA-N 0 3 312.457 4.393 20 30 DIEDHN CCCCCCCCCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800459367 1045624269 /nfs/dbraw/zinc/62/42/69/1045624269.db2.gz MQKINGVESSIELI-KRWDZBQOSA-N 0 3 317.539 4.026 20 30 DIEDHN N#CC(C(=O)[C@@H]1CCCC(F)(F)C1)c1ccc2ccccc2n1 ZINC000800383954 1045613050 /nfs/dbraw/zinc/61/30/50/1045613050.db2.gz JYACFKNWWCAPDF-KGLIPLIRSA-N 0 3 314.335 4.237 20 30 DIEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000800385172 1045613625 /nfs/dbraw/zinc/61/36/25/1045613625.db2.gz TVENWEQWELWLHF-YOEHRIQHSA-N 0 3 322.408 4.313 20 30 DIEDHN C#CC[C@H](NCc1ccc(-c2cnn(C)c2)s1)c1ccccc1 ZINC000800888200 1045662338 /nfs/dbraw/zinc/66/23/38/1045662338.db2.gz SRYAAWCWCDFAAX-SFHVURJKSA-N 0 3 321.449 4.003 20 30 DIEDHN COc1c(C)cc(CNCc2ccc(C#N)c(Cl)c2)cc1C ZINC000800896127 1045664149 /nfs/dbraw/zinc/66/41/49/1045664149.db2.gz ZTNMLZFRHGEUPR-UHFFFAOYSA-N 0 3 314.816 4.127 20 30 DIEDHN C[C@@H](c1ccc(Cl)cc1)N(Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191223316 1045664764 /nfs/dbraw/zinc/66/47/64/1045664764.db2.gz LKCBPTWTBQPYCJ-ZDUSSCGKSA-N 0 3 313.832 4.276 20 30 DIEDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000800989468 1045678627 /nfs/dbraw/zinc/67/86/27/1045678627.db2.gz DGOUUZGNAJYMRV-GFCCVEGCSA-N 0 3 300.789 4.077 20 30 DIEDHN N#Cc1ccc(F)c(CNC2CC(c3ccc(Cl)cc3)C2)c1 ZINC000753565988 1045763512 /nfs/dbraw/zinc/76/35/12/1045763512.db2.gz LSPYWTFVAFYWKM-UHFFFAOYSA-N 0 3 314.791 4.387 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(OC(F)F)c1 ZINC000192150486 1045788494 /nfs/dbraw/zinc/78/84/94/1045788494.db2.gz BGCDNBPBBOTNSQ-LLVKDONJSA-N 0 3 320.314 4.150 20 30 DIEDHN C=CCC[C@H](NCc1cnc(CCOC)s1)c1ccccc1 ZINC000631097916 1045814041 /nfs/dbraw/zinc/81/40/41/1045814041.db2.gz HLEWEOLRFLZDFW-KRWDZBQOSA-N 0 3 316.470 4.129 20 30 DIEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccccc1Oc1ccccc1 ZINC000801938152 1045852815 /nfs/dbraw/zinc/85/28/15/1045852815.db2.gz ZEQABXDWUDHEKX-JKSUJKDBSA-N 0 3 310.397 4.058 20 30 DIEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000801938147 1045852960 /nfs/dbraw/zinc/85/29/60/1045852960.db2.gz ZEQABXDWUDHEKX-CVEARBPZSA-N 0 3 310.397 4.058 20 30 DIEDHN C=C(C)COCCNCc1c(OC(F)F)ccc2ccccc21 ZINC000531629835 1045884394 /nfs/dbraw/zinc/88/43/94/1045884394.db2.gz MBYMKPICNPAHKI-UHFFFAOYSA-N 0 3 321.367 4.124 20 30 DIEDHN C#CCCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000754943941 1045938101 /nfs/dbraw/zinc/93/81/01/1045938101.db2.gz QIZHRQNVUVYUQR-LLVKDONJSA-N 0 3 304.846 4.446 20 30 DIEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000829029495 1045952664 /nfs/dbraw/zinc/95/26/64/1045952664.db2.gz QXNJADVVGVFREV-BBRMVZONSA-N 0 3 304.821 4.007 20 30 DIEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)c(C)n1-c1ccccc1 ZINC001137858031 1045987090 /nfs/dbraw/zinc/98/70/90/1045987090.db2.gz UFCCWPNBPMUNKW-SFHVURJKSA-N 0 3 307.441 4.220 20 30 DIEDHN Cc1cc(CN2CCC(C)(C#N)CC2)c(C)n1-c1ccccc1 ZINC001137858990 1045988454 /nfs/dbraw/zinc/98/84/54/1045988454.db2.gz DNLACFVPPRFJMM-UHFFFAOYSA-N 0 3 307.441 4.220 20 30 DIEDHN COc1cc(CN[C@@H]2CC[C@H](C)c3ccsc32)ccc1C#N ZINC000453247836 1046003402 /nfs/dbraw/zinc/00/34/02/1046003402.db2.gz IDCKVCCYJIXORL-BLLLJJGKSA-N 0 3 312.438 4.357 20 30 DIEDHN COc1ccc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1C#N ZINC000080339743 1046026080 /nfs/dbraw/zinc/02/60/80/1046026080.db2.gz CPIJDKQBFFQBHV-RBZFPXEDSA-N 0 3 324.399 4.119 20 30 DIEDHN CC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726420 1046051046 /nfs/dbraw/zinc/05/10/46/1046051046.db2.gz PCSHAVSAWKSVPS-KDOFPFPSSA-N 0 3 322.408 4.131 20 30 DIEDHN CCOCc1ccccc1CN[C@@H](CC)c1cccc(C#N)c1 ZINC000902734350 1046053930 /nfs/dbraw/zinc/05/39/30/1046053930.db2.gz UMZSCAJVYCNWDO-FQEVSTJZSA-N 0 3 308.425 4.336 20 30 DIEDHN C=CC[C@@H](N[C@@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807072 1046074878 /nfs/dbraw/zinc/07/48/78/1046074878.db2.gz VKGDDTFNTSAEBD-HNAYVOBHSA-N 0 3 324.424 4.145 20 30 DIEDHN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826558 1046081419 /nfs/dbraw/zinc/08/14/19/1046081419.db2.gz FNOIJSGBZHJUML-GJZGRUSLSA-N 0 3 322.408 4.065 20 30 DIEDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccc(C#N)cc1 ZINC000756459711 1046084713 /nfs/dbraw/zinc/08/47/13/1046084713.db2.gz WXCCQPBXHISQBL-BFQNTYOBSA-N 0 3 310.372 4.302 20 30 DIEDHN CC[C@H](NC1(c2cccc(OC)c2)CC1)c1cccc(C#N)c1 ZINC000902916419 1046111803 /nfs/dbraw/zinc/11/18/03/1046111803.db2.gz QPZRJBCRZZUUSM-IBGZPJMESA-N 0 3 306.409 4.297 20 30 DIEDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cccc(C#N)c1 ZINC000756624202 1046112825 /nfs/dbraw/zinc/11/28/25/1046112825.db2.gz DOVIQGYVGXTRPY-WQGACYEGSA-N 0 3 310.372 4.302 20 30 DIEDHN CC[C@@H](N[C@@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945859 1046121878 /nfs/dbraw/zinc/12/18/78/1046121878.db2.gz WLWMUPVQHBUPMP-NVXWUHKLSA-N 0 3 311.454 4.442 20 30 DIEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000756710578 1046122033 /nfs/dbraw/zinc/12/20/33/1046122033.db2.gz ZKLCZRDQWYTLKM-WBVHZDCISA-N 0 3 324.424 4.232 20 30 DIEDHN CCC[C@H](NCc1cccc(O[C@H](C#N)CC)c1)c1cccnc1 ZINC000756709698 1046122275 /nfs/dbraw/zinc/12/22/75/1046122275.db2.gz NPYPGUBHQXGGBL-ICSRJNTNSA-N 0 3 323.440 4.394 20 30 DIEDHN CC[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(C#N)c1 ZINC000902946220 1046123321 /nfs/dbraw/zinc/12/33/21/1046123321.db2.gz YOCOYIQBZWAVKK-GOSISDBHSA-N 0 3 323.440 4.371 20 30 DIEDHN C=CCN(C)Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC001138289082 1046137704 /nfs/dbraw/zinc/13/77/04/1046137704.db2.gz JKLVPJQECUMHJR-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN C[C@@H](N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cc(C#N)ccn1 ZINC000903001684 1046139742 /nfs/dbraw/zinc/13/97/42/1046139742.db2.gz XDSDQUSTOBHHQV-BPLDGKMQSA-N 0 3 311.816 4.203 20 30 DIEDHN CC[C@@H](NCc1ccnc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000903006502 1046139792 /nfs/dbraw/zinc/13/97/92/1046139792.db2.gz JPYFJQMZGXMLOS-OAHLLOKOSA-N 0 3 319.330 4.213 20 30 DIEDHN C[C@H](NC1(Cc2cccc(Cl)c2)CC1)c1cc(C#N)ccn1 ZINC000903012798 1046141080 /nfs/dbraw/zinc/14/10/80/1046141080.db2.gz UCWGBSSFQHJHMY-ZDUSSCGKSA-N 0 3 311.816 4.033 20 30 DIEDHN N#CC[C@H]1CCCN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138336283 1046153452 /nfs/dbraw/zinc/15/34/52/1046153452.db2.gz NSJFQPZKGMFFPC-OAQYLSRUSA-N 0 3 314.432 4.212 20 30 DIEDHN Cc1csc(C(C#N)C(=O)CSc2ccc(C)cc2C)n1 ZINC000007832792 1046154544 /nfs/dbraw/zinc/15/45/44/1046154544.db2.gz ZLOHCDJLPRKSFQ-ZDUSSCGKSA-N 0 3 316.451 4.037 20 30 DIEDHN C#CC[C@@H](NCc1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000756995385 1046157477 /nfs/dbraw/zinc/15/74/77/1046157477.db2.gz HLFSBRANZQTPIS-LJQANCHMSA-N 0 3 323.436 4.337 20 30 DIEDHN C#CC[C@H](NCc1cccc(Br)c1)c1ccccc1 ZINC000756996322 1046158097 /nfs/dbraw/zinc/15/80/97/1046158097.db2.gz QBBQDCMQWWZPBS-KRWDZBQOSA-N 0 3 314.226 4.303 20 30 DIEDHN C[C@H](NCCOc1ccccc1C#N)c1cc2cccc(F)c2o1 ZINC000475702376 1046160551 /nfs/dbraw/zinc/16/05/51/1046160551.db2.gz NJJJHMKVIJJRTD-ZDUSSCGKSA-N 0 3 324.355 4.173 20 30 DIEDHN CC(=O)OCc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000903103569 1046162805 /nfs/dbraw/zinc/16/28/05/1046162805.db2.gz KABMKPBTLRSQGR-LSDHHAIUSA-N 0 3 322.408 4.033 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131156 1046169343 /nfs/dbraw/zinc/16/93/43/1046169343.db2.gz QXYIUQHFZOONKV-HRAATJIYSA-N 0 3 321.420 4.165 20 30 DIEDHN C#Cc1cccc(CN[C@@H](c2ccccc2F)C2CCOCC2)c1 ZINC000903183462 1046186611 /nfs/dbraw/zinc/18/66/11/1046186611.db2.gz OTSRICLHOHJDQB-OAQYLSRUSA-N 0 3 323.411 4.065 20 30 DIEDHN C#CCOc1ccc(CN2CCC[C@@H]2c2ccccc2OC)cc1 ZINC001138559053 1046225233 /nfs/dbraw/zinc/22/52/33/1046225233.db2.gz NHAWVTNZXFZYRS-HXUWFJFHSA-N 0 3 321.420 4.044 20 30 DIEDHN C#CC[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000756997184 1046229341 /nfs/dbraw/zinc/22/93/41/1046229341.db2.gz VVSBJECCJOBRSG-KRWDZBQOSA-N 0 3 319.326 4.439 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1[O-] ZINC001138629282 1046245655 /nfs/dbraw/zinc/24/56/55/1046245655.db2.gz SZRRIVLIUWAYAF-UHFFFAOYSA-N 0 3 318.420 4.301 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1[O-] ZINC001138629282 1046245664 /nfs/dbraw/zinc/24/56/64/1046245664.db2.gz SZRRIVLIUWAYAF-UHFFFAOYSA-N 0 3 318.420 4.301 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c1[O-] ZINC001138628993 1046246421 /nfs/dbraw/zinc/24/64/21/1046246421.db2.gz KHBADBSZLFLIQL-LJQANCHMSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)c1[O-] ZINC001138628993 1046246429 /nfs/dbraw/zinc/24/64/29/1046246429.db2.gz KHBADBSZLFLIQL-LJQANCHMSA-N 0 3 323.436 4.466 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC001138629019 1046247477 /nfs/dbraw/zinc/24/74/77/1046247477.db2.gz LIFHHJPBNUANMI-GOSISDBHSA-N 0 3 307.437 4.185 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC001138629019 1046247489 /nfs/dbraw/zinc/24/74/89/1046247489.db2.gz LIFHHJPBNUANMI-GOSISDBHSA-N 0 3 307.437 4.185 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)Cc2ccc(Cl)cc2)c1[O-] ZINC001138628822 1046247950 /nfs/dbraw/zinc/24/79/50/1046247950.db2.gz GLBXCSMTGPWEJO-UHFFFAOYSA-N 0 3 301.817 4.406 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2)c1[O-] ZINC001138628822 1046247958 /nfs/dbraw/zinc/24/79/58/1046247958.db2.gz GLBXCSMTGPWEJO-UHFFFAOYSA-N 0 3 301.817 4.406 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](c1ccccn1)C1CC1 ZINC000903336540 1046248071 /nfs/dbraw/zinc/24/80/71/1046248071.db2.gz ZXTLDHZBZQOQSH-PZJWPPBQSA-N 0 3 317.436 4.462 20 30 DIEDHN C=CCc1cccc(C[N@H+]2CC[C@H](c3cccc(OC)c3)C2)c1[O-] ZINC001138630098 1046249667 /nfs/dbraw/zinc/24/96/67/1046249667.db2.gz QUBDGPVVIIVVDJ-SFHVURJKSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](c3cccc(OC)c3)C2)c1[O-] ZINC001138630098 1046249677 /nfs/dbraw/zinc/24/96/77/1046249677.db2.gz QUBDGPVVIIVVDJ-SFHVURJKSA-N 0 3 323.436 4.119 20 30 DIEDHN C=CCc1cccc(C[N@H+](C)CC/C=C/c2cccnc2)c1[O-] ZINC001138630511 1046250152 /nfs/dbraw/zinc/25/01/52/1046250152.db2.gz XZYPQIMUJZRUHR-RUDMXATFSA-N 0 3 308.425 4.051 20 30 DIEDHN C=CCc1cccc(C[N@@H+](C)CC/C=C/c2cccnc2)c1[O-] ZINC001138630511 1046250163 /nfs/dbraw/zinc/25/01/63/1046250163.db2.gz XZYPQIMUJZRUHR-RUDMXATFSA-N 0 3 308.425 4.051 20 30 DIEDHN C=C(C)COc1ccccc1CN1CCC2(CC(F)C2)CC1 ZINC001138662461 1046259817 /nfs/dbraw/zinc/25/98/17/1046259817.db2.gz YSCARNANPOFKAG-UHFFFAOYSA-N 0 3 303.421 4.356 20 30 DIEDHN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270198 1046362512 /nfs/dbraw/zinc/36/25/12/1046362512.db2.gz UTRYADUVXSSIMZ-BFUOFWGJSA-N 0 3 310.372 4.066 20 30 DIEDHN C=CCOc1ccccc1CN1CCC2(CCC(C)(C)O2)CC1 ZINC001139030577 1046364576 /nfs/dbraw/zinc/36/45/76/1046364576.db2.gz RBQIKLUHVISGIX-UHFFFAOYSA-N 0 3 315.457 4.175 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830366 1046379068 /nfs/dbraw/zinc/37/90/68/1046379068.db2.gz OLSBFGSZJJVIPM-JLTOFOAXSA-N 0 3 306.409 4.295 20 30 DIEDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830367 1046380253 /nfs/dbraw/zinc/38/02/53/1046380253.db2.gz OLSBFGSZJJVIPM-VBKZILBWSA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccccc1CSCCNCc1cscc1Cl ZINC000610930454 1046392281 /nfs/dbraw/zinc/39/22/81/1046392281.db2.gz JHRZNDPMIYGULW-UHFFFAOYSA-N 0 3 322.886 4.296 20 30 DIEDHN CCn1ccc2c1cccc2CN1CCc2cc(C#N)ccc2C1 ZINC001139153728 1046396349 /nfs/dbraw/zinc/39/63/49/1046396349.db2.gz WWRVDIKODUQOAW-UHFFFAOYSA-N 0 3 315.420 4.091 20 30 DIEDHN N#Cc1ccc(Oc2ccc(CN3CCCCCC3)cn2)cc1 ZINC001139423235 1046448993 /nfs/dbraw/zinc/44/89/93/1046448993.db2.gz APXAQADNCUXING-UHFFFAOYSA-N 0 3 307.397 4.122 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C1 ZINC001139425911 1046449014 /nfs/dbraw/zinc/44/90/14/1046449014.db2.gz XYJIRWUVJHJFJT-HZPDHXFCSA-N 0 3 321.424 4.366 20 30 DIEDHN CC[C@@H]1CCCN(Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427614 1046450699 /nfs/dbraw/zinc/45/06/99/1046450699.db2.gz MUCBGGVKHYBPQH-MRXNPFEDSA-N 0 3 321.424 4.368 20 30 DIEDHN N#Cc1ccc(Oc2ccc(CN3CCCCC34CC4)cn2)cc1 ZINC001139427991 1046450961 /nfs/dbraw/zinc/45/09/61/1046450961.db2.gz XODJNAOHSIXDIV-UHFFFAOYSA-N 0 3 319.408 4.264 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccsc2)nc1 ZINC001139504199 1046458479 /nfs/dbraw/zinc/45/84/79/1046458479.db2.gz QMNVZNCQUFJCCW-XGBSXSJOSA-N 0 3 309.438 4.077 20 30 DIEDHN C#CC[C@@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914281 1046486227 /nfs/dbraw/zinc/48/62/27/1046486227.db2.gz WMFACJDYJWJVLD-MGPUTAFESA-N 0 3 306.409 4.060 20 30 DIEDHN C=CCOc1ccc(CN[C@H](C)c2ccnc(Cl)c2)cc1 ZINC000795591363 1046493064 /nfs/dbraw/zinc/49/30/64/1046493064.db2.gz MBBCLWKILGZDNT-CYBMUJFWSA-N 0 3 302.805 4.151 20 30 DIEDHN C#CCN(Cc1c(C)cc(O)cc1C)[C@@H]1CCc2ccccc21 ZINC001139714663 1046503884 /nfs/dbraw/zinc/50/38/84/1046503884.db2.gz IHTRTDZYJLWPMV-OAQYLSRUSA-N 0 3 305.421 4.132 20 30 DIEDHN C=CCCN(Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC001137308767 1046514119 /nfs/dbraw/zinc/51/41/19/1046514119.db2.gz DHHWNORLIPPBIZ-UHFFFAOYSA-N 0 3 305.425 4.221 20 30 DIEDHN C=CC[C@H](NCc1ccc2nc(C)ccc2c1)c1ccncc1 ZINC000782529379 1046533796 /nfs/dbraw/zinc/53/37/96/1046533796.db2.gz MCSQSDVTGCSRIV-IBGZPJMESA-N 0 3 303.409 4.345 20 30 DIEDHN CN(Cc1cc(F)cc(C#N)c1)Cc1cccc2ccccc21 ZINC001139874787 1046539722 /nfs/dbraw/zinc/53/97/22/1046539722.db2.gz LYWQFEADRVOKFQ-UHFFFAOYSA-N 0 3 304.368 4.483 20 30 DIEDHN CCC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000729678724 1046575928 /nfs/dbraw/zinc/57/59/28/1046575928.db2.gz HTMQYBAOSWOKKN-LJQANCHMSA-N 0 3 322.456 4.062 20 30 DIEDHN CN(Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(Cl)c1 ZINC001140114423 1046590317 /nfs/dbraw/zinc/59/03/17/1046590317.db2.gz PETMTSZDOMWQQE-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN C[C@@H]1c2ccccc2CCN1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110297 1046590888 /nfs/dbraw/zinc/59/08/88/1046590888.db2.gz IMKARARIKWUEPH-CQSZACIVSA-N 0 3 301.393 4.159 20 30 DIEDHN C=CCOc1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000678239243 1046595690 /nfs/dbraw/zinc/59/56/90/1046595690.db2.gz XKDGCNSLENLSSB-NRFANRHFSA-N 0 3 323.436 4.215 20 30 DIEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(F)c1 ZINC001140136264 1046598091 /nfs/dbraw/zinc/59/80/91/1046598091.db2.gz RMUYPHFCUFGKSG-UHFFFAOYSA-N 0 3 318.395 4.258 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(Cl)s2)cc1 ZINC000093115516 1046610711 /nfs/dbraw/zinc/61/07/11/1046610711.db2.gz AXRALPWBJNZOQT-GFCCVEGCSA-N 0 3 305.830 4.264 20 30 DIEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000093453445 1046629726 /nfs/dbraw/zinc/62/97/26/1046629726.db2.gz IUCKOHODJJUAHD-NRFANRHFSA-N 0 3 320.436 4.129 20 30 DIEDHN CC[C@@H](NCc1cccc(O[C@H](C#N)CC)c1)c1ccncc1 ZINC000834650643 1046644535 /nfs/dbraw/zinc/64/45/35/1046644535.db2.gz OQZCUKQTNJQSBB-PKOBYXMFSA-N 0 3 309.413 4.003 20 30 DIEDHN COc1cccc(C2=CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000533075086 1046649898 /nfs/dbraw/zinc/64/98/98/1046649898.db2.gz GWLAOFAKHLNACV-INIZCTEOSA-N 0 3 318.420 4.417 20 30 DIEDHN CC[C@@H](CSc1ccccc1)NCc1ccc(C#N)cc1F ZINC000533104567 1046656318 /nfs/dbraw/zinc/65/63/18/1046656318.db2.gz YRCYGNGYGJJKOX-INIZCTEOSA-N 0 3 314.429 4.358 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(-c2cncnc2)cc1 ZINC001140353748 1046672046 /nfs/dbraw/zinc/67/20/46/1046672046.db2.gz RHKPMQLJXSRQJX-UHFFFAOYSA-N 0 3 315.420 4.332 20 30 DIEDHN C=C(Br)CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000795795487 1046679286 /nfs/dbraw/zinc/67/92/86/1046679286.db2.gz YBVMHLSHUZMXAV-SNVBAGLBSA-N 0 3 322.168 4.135 20 30 DIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838909 1046685990 /nfs/dbraw/zinc/68/59/90/1046685990.db2.gz IZNAFDUNKOOWMA-SJCJKPOMSA-N 0 3 311.816 4.335 20 30 DIEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NCc2ccc(C#N)cc2F)cc1 ZINC000533309298 1046689417 /nfs/dbraw/zinc/68/94/17/1046689417.db2.gz DVGILCOYIDNYGC-PMACEKPBSA-N 0 3 324.399 4.016 20 30 DIEDHN C=CCCC[C@H](C)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715868 1046691710 /nfs/dbraw/zinc/69/17/10/1046691710.db2.gz GSYCQHNAIMEVBZ-HBNTYKKESA-N 0 3 303.290 4.404 20 30 DIEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747902 1046693261 /nfs/dbraw/zinc/69/32/61/1046693261.db2.gz FLYFUXJFOZTHNW-KBXCAEBGSA-N 0 3 315.388 4.206 20 30 DIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cnccc2C)cc1 ZINC000834886943 1046699960 /nfs/dbraw/zinc/69/99/60/1046699960.db2.gz GFBKXSSYJWXIHK-OAHLLOKOSA-N 0 3 316.832 4.372 20 30 DIEDHN C#Cc1cccc(CN[C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000834901764 1046712401 /nfs/dbraw/zinc/71/24/01/1046712401.db2.gz BQZCCSSXDFHCPL-GOSISDBHSA-N 0 3 309.434 4.003 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000834904200 1046716369 /nfs/dbraw/zinc/71/63/69/1046716369.db2.gz WGMWIHZSEKIRBU-IBGZPJMESA-N 0 3 324.399 4.263 20 30 DIEDHN CN(Cc1c[nH]c2cccc(Cl)c12)Cc1ccc(C#N)cc1 ZINC001140436989 1046722900 /nfs/dbraw/zinc/72/29/00/1046722900.db2.gz YBWHBDOPKIYZQE-UHFFFAOYSA-N 0 3 309.800 4.325 20 30 DIEDHN CN(C)c1ccc(/C=C\CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000835041533 1046747387 /nfs/dbraw/zinc/74/73/87/1046747387.db2.gz MUBHHUXBIMRHGI-NJRZHNRPSA-N 0 3 319.452 4.400 20 30 DIEDHN CCCN(CCc1ccccn1)Cc1cc(C#N)ccc1Cl ZINC001140602940 1046805058 /nfs/dbraw/zinc/80/50/58/1046805058.db2.gz UZLSMIUUBVBUSA-UHFFFAOYSA-N 0 3 313.832 4.061 20 30 DIEDHN Cc1ccc(F)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000075438697 1046810696 /nfs/dbraw/zinc/81/06/96/1046810696.db2.gz GCXGDXHECGXRRG-ZDUSSCGKSA-N 0 3 322.261 4.038 20 30 DIEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000797550596 1046843082 /nfs/dbraw/zinc/84/30/82/1046843082.db2.gz SOXOCGOBPSMPLD-YENGBRFLSA-N 0 3 316.360 4.054 20 30 DIEDHN CCS[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)C ZINC000797570176 1046853652 /nfs/dbraw/zinc/85/36/52/1046853652.db2.gz DDPNNNLVHMOHPO-SMDDNHRTSA-N 0 3 324.515 4.395 20 30 DIEDHN N#Cc1ccc(F)c(CN2CCC[C@H](c3ccccc3)CC2)c1 ZINC000303171388 1046884492 /nfs/dbraw/zinc/88/44/92/1046884492.db2.gz JGQOPOQQEVGSNB-SFHVURJKSA-N 0 3 308.400 4.467 20 30 DIEDHN CCCN(Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753258 1046885110 /nfs/dbraw/zinc/88/51/10/1046885110.db2.gz DBEOAFPXEMRTPR-UHFFFAOYSA-N 0 3 300.352 4.249 20 30 DIEDHN C[C@@H](c1cccc(C#N)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC000614963244 1046892659 /nfs/dbraw/zinc/89/26/59/1046892659.db2.gz ZCAGDYBSVFDZDP-HNAYVOBHSA-N 0 3 308.450 4.409 20 30 DIEDHN Cc1cc(F)ccc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001140782001 1046896344 /nfs/dbraw/zinc/89/63/44/1046896344.db2.gz YLBAUXHCKDDYLU-HXUWFJFHSA-N 0 3 324.399 4.049 20 30 DIEDHN N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)c1Cl ZINC001140812801 1046910835 /nfs/dbraw/zinc/91/08/35/1046910835.db2.gz LMCXEJYKMWTVKK-IYBDPMFKSA-N 0 3 308.812 4.298 20 30 DIEDHN CN(C)[C@@H](CNc1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000303333307 1046911388 /nfs/dbraw/zinc/91/13/88/1046911388.db2.gz BYACWFGAWPYRJW-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796355815 1046933381 /nfs/dbraw/zinc/93/33/81/1046933381.db2.gz GZIMMOMNJALYRW-HXUWFJFHSA-N 0 3 322.452 4.162 20 30 DIEDHN CN(C)[C@@H](CNc1cc(Cl)ccc1C#N)c1cccc(F)c1 ZINC000303761049 1046961896 /nfs/dbraw/zinc/96/18/96/1046961896.db2.gz KUGDHDYBBGYGMD-KRWDZBQOSA-N 0 3 317.795 4.066 20 30 DIEDHN Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@@H](C#N)CC1 ZINC001140963633 1046965164 /nfs/dbraw/zinc/96/51/64/1046965164.db2.gz BBLWXHZDVOKLEO-CYBMUJFWSA-N 0 3 312.335 4.019 20 30 DIEDHN Cc1cc(OC(F)(F)F)ccc1CN1CCC(C)(C#N)CC1 ZINC001140965352 1046965219 /nfs/dbraw/zinc/96/52/19/1046965219.db2.gz GWKADVCOPZDIDD-UHFFFAOYSA-N 0 3 312.335 4.019 20 30 DIEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccn2)s1 ZINC001141001848 1046975919 /nfs/dbraw/zinc/97/59/19/1046975919.db2.gz DOBAYECIHMHEND-QKDCVEJESA-N 0 3 309.438 4.077 20 30 DIEDHN C=CCN(Cc1c2cc[nH]c2ncc1Cl)C1CCCCC1 ZINC001138954401 1047004318 /nfs/dbraw/zinc/00/43/18/1047004318.db2.gz KCUMINWKWWVNKU-UHFFFAOYSA-N 0 3 303.837 4.489 20 30 DIEDHN N#Cc1c(N)sc(CN2CCC[C@H]3CCCC[C@@H]32)c1Cl ZINC001141113407 1047017878 /nfs/dbraw/zinc/01/78/78/1047017878.db2.gz GPQZHGWVDAFHIZ-PWSUYJOCSA-N 0 3 309.866 4.010 20 30 DIEDHN C=CC(C)(C)CNCc1csc(-c2ccc(OC)cc2)n1 ZINC000648733037 1047087346 /nfs/dbraw/zinc/08/73/46/1047087346.db2.gz PPEFTGHPQHOYOP-UHFFFAOYSA-N 0 3 302.443 4.121 20 30 DIEDHN COc1ccsc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001141329189 1047094924 /nfs/dbraw/zinc/09/49/24/1047094924.db2.gz JONHKWLGJKUGLY-UHFFFAOYSA-N 0 3 312.438 4.008 20 30 DIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000537101790 1047136727 /nfs/dbraw/zinc/13/67/27/1047136727.db2.gz BMUHKOMBOODVSI-AWEZNQCLSA-N 0 3 303.327 4.408 20 30 DIEDHN CCCN(Cc1cc(C#N)ccc1Br)[C@H](C)CC ZINC001141654567 1047247738 /nfs/dbraw/zinc/24/77/38/1047247738.db2.gz CPJNHPNDHRFVDF-GFCCVEGCSA-N 0 3 309.251 4.331 20 30 DIEDHN CCCCN(CCC)Cc1cc(C#N)ccc1Br ZINC001141659452 1047250553 /nfs/dbraw/zinc/25/05/53/1047250553.db2.gz OSSZXYATPXDZHV-UHFFFAOYSA-N 0 3 309.251 4.333 20 30 DIEDHN CSc1nc(CN2CC[C@@H](C3CCCCC3)C2)ccc1C#N ZINC001141941459 1047313621 /nfs/dbraw/zinc/31/36/21/1047313621.db2.gz KMJUILYDHYGXEV-MRXNPFEDSA-N 0 3 315.486 4.077 20 30 DIEDHN SC1CCN(Cc2sccc2Oc2ccccc2)CC1 ZINC001142001354 1047338410 /nfs/dbraw/zinc/33/84/10/1047338410.db2.gz MPAHWYZOOGXPPG-UHFFFAOYSA-N 0 3 305.468 4.435 20 30 DIEDHN C=C(C)CNC(=S)Nc1ccc2c(c1)CN([C@@H](C)CCC)C2 ZINC000726496429 1047362813 /nfs/dbraw/zinc/36/28/13/1047362813.db2.gz XHJPWJQZFHYNCC-AWEZNQCLSA-N 0 3 317.502 4.053 20 30 DIEDHN C#CCCOc1ccc(CNCc2cnccc2C(C)(C)C)cc1 ZINC000840959909 1047363987 /nfs/dbraw/zinc/36/39/87/1047363987.db2.gz XTTUAQUKTRISTJ-UHFFFAOYSA-N 0 3 322.452 4.071 20 30 DIEDHN C#CCOc1ccccc1CN[C@H](c1ccc(OC)cc1)C(C)C ZINC000726697490 1047374881 /nfs/dbraw/zinc/37/48/81/1047374881.db2.gz KZZVSVHVKJCHFO-NRFANRHFSA-N 0 3 323.436 4.194 20 30 DIEDHN C=CCCn1cc(CN(C)[C@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653762084 1047419058 /nfs/dbraw/zinc/41/90/58/1047419058.db2.gz SSHGTUWFTFLLKF-PMACEKPBSA-N 0 3 324.472 4.012 20 30 DIEDHN N#Cc1ccc(CN(Cc2ccc(F)cc2)CC2CC2)s1 ZINC000537622566 1047468233 /nfs/dbraw/zinc/46/82/33/1047468233.db2.gz AYFWOUFYFBDQKL-UHFFFAOYSA-N 0 3 300.402 4.171 20 30 DIEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000842293348 1047474362 /nfs/dbraw/zinc/47/43/62/1047474362.db2.gz ITTOAWSBDSZOKY-SXGZJXTBSA-N 0 3 316.360 4.198 20 30 DIEDHN Cc1ccccc1C1(NCc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000842732966 1047500856 /nfs/dbraw/zinc/50/08/56/1047500856.db2.gz RJVIPZRAFCSZFI-INIZCTEOSA-N 0 3 306.409 4.065 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001204375426 1047569468 /nfs/dbraw/zinc/56/94/68/1047569468.db2.gz SBBUHOIMUWWLQD-INIZCTEOSA-N 0 3 323.436 4.207 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755147 1047619263 /nfs/dbraw/zinc/61/92/63/1047619263.db2.gz CECVCJATOXUSOA-FZKQIMNGSA-N 0 3 309.369 4.268 20 30 DIEDHN C=C(CC)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000538013523 1047652747 /nfs/dbraw/zinc/65/27/47/1047652747.db2.gz AJRRVTMSQPJNEJ-NSHDSACASA-N 0 3 304.381 4.308 20 30 DIEDHN N#Cc1csc(CN(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000538727372 1047702464 /nfs/dbraw/zinc/70/24/64/1047702464.db2.gz MQZQSMORILAGNY-UHFFFAOYSA-N 0 3 300.402 4.171 20 30 DIEDHN C=CCN(Cc1cc(-c2cccnc2)n[nH]1)CC1CCCCC1 ZINC000538729671 1047702519 /nfs/dbraw/zinc/70/25/19/1047702519.db2.gz IVCJQGKPULBNTO-UHFFFAOYSA-N 0 3 310.445 4.040 20 30 DIEDHN CC(C)(CC(=O)C(C#N)c1nc2ccccc2o1)c1ccccc1 ZINC000067799264 1047773758 /nfs/dbraw/zinc/77/37/58/1047773758.db2.gz SQWMKEURFGAMST-OAHLLOKOSA-N 0 3 318.376 4.372 20 30 DIEDHN CCOc1c(Cl)cc(CN[C@H](C)CC(C)(C)C#N)cc1OC ZINC000924714702 1047832180 /nfs/dbraw/zinc/83/21/80/1047832180.db2.gz CTAIMAUKKWTALV-GFCCVEGCSA-N 0 3 324.852 4.165 20 30 DIEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001182844660 1047848637 /nfs/dbraw/zinc/84/86/37/1047848637.db2.gz NUQQNVODBKZCTH-DOMZBBRYSA-N 0 3 309.837 4.279 20 30 DIEDHN Cc1cnccc1Nc1sc(Cc2ccccc2)cc1C#N ZINC001174536298 1047866396 /nfs/dbraw/zinc/86/63/96/1047866396.db2.gz SKCNLZMKJQDBID-UHFFFAOYSA-N 0 3 305.406 4.080 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccccc1)[C@H](O)C(C)C ZINC001183058984 1047886569 /nfs/dbraw/zinc/88/65/69/1047886569.db2.gz IATAGRDWUMGDJH-LEWJYISDSA-N 0 3 322.452 4.023 20 30 DIEDHN C=CC[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001183066180 1047886617 /nfs/dbraw/zinc/88/66/17/1047886617.db2.gz VLAZDETYPDURSV-CYBMUJFWSA-N 0 3 302.418 4.347 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC001183058987 1047886805 /nfs/dbraw/zinc/88/68/05/1047886805.db2.gz IATAGRDWUMGDJH-SFTDATJTSA-N 0 3 322.452 4.023 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccccc1)[C@H](O)C(C)C ZINC001183058985 1047887049 /nfs/dbraw/zinc/88/70/49/1047887049.db2.gz IATAGRDWUMGDJH-NHCUHLMSSA-N 0 3 322.452 4.023 20 30 DIEDHN Cc1cc(C#N)cc(C)c1CN[C@H](c1ccccc1)[C@@H](O)C(C)C ZINC001183058986 1047887536 /nfs/dbraw/zinc/88/75/36/1047887536.db2.gz IATAGRDWUMGDJH-RTWAWAEBSA-N 0 3 322.452 4.023 20 30 DIEDHN C=CCCCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC001174615232 1047927552 /nfs/dbraw/zinc/92/75/52/1047927552.db2.gz RDRCUMPZELGVEI-QGZVFWFLSA-N 0 3 324.509 4.310 20 30 DIEDHN C#CCN(C[C@@H]1CCCC(C)(C)O1)[C@H]1CCCc2ccccc21 ZINC001198105807 1047928318 /nfs/dbraw/zinc/92/83/18/1047928318.db2.gz ZJDIBXUGNHROKA-ICSRJNTNSA-N 0 3 311.469 4.347 20 30 DIEDHN C=C(CC)CN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000773424062 1048021694 /nfs/dbraw/zinc/02/16/94/1048021694.db2.gz HZGSYVFATWUFNT-UHFFFAOYSA-N 0 3 322.493 4.064 20 30 DIEDHN CN(Cc1cccc(C#N)c1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554746073 1048176472 /nfs/dbraw/zinc/17/64/72/1048176472.db2.gz QBCZQVVPSHQAOE-OKILXGFUSA-N 0 3 314.326 4.250 20 30 DIEDHN Cc1ccccc1SC[C@H](C)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC001175252028 1048193997 /nfs/dbraw/zinc/19/39/97/1048193997.db2.gz ZYTUNMCLNUOXLB-DJIMGWMZSA-N 0 3 302.487 4.347 20 30 DIEDHN Cc1ccccc1SC[C@H](C)CN(C)[C@@H]1CCC[C@H]1C#N ZINC001175252029 1048194106 /nfs/dbraw/zinc/19/41/06/1048194106.db2.gz ZYTUNMCLNUOXLB-HYVNUMGLSA-N 0 3 302.487 4.347 20 30 DIEDHN CCOCCN(Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001175300039 1048238730 /nfs/dbraw/zinc/23/87/30/1048238730.db2.gz BJEMYRMEGNUJDE-NRFANRHFSA-N 0 3 320.436 4.084 20 30 DIEDHN CN(C)c1ccncc1C=NN(c1ccccc1)c1ccccc1 ZINC000776182648 1048259313 /nfs/dbraw/zinc/25/93/13/1048259313.db2.gz CHKQQDKHOGADIE-UHFFFAOYSA-N 0 3 316.408 4.320 20 30 DIEDHN CC(C)[C@@H](C#N)c1ccc(-n2c3ccccc3nc2[C@@H](C)N)cc1 ZINC001162777274 1048356306 /nfs/dbraw/zinc/35/63/06/1048356306.db2.gz OTQHULBJEPQLRA-RHSMWYFYSA-N 0 3 318.424 4.308 20 30 DIEDHN CC(C)=CCN(CCOCCC#N)Cc1ccc(Cl)cc1 ZINC000555504051 1048373826 /nfs/dbraw/zinc/37/38/26/1048373826.db2.gz ZGTQZGZCGWUEII-UHFFFAOYSA-N 0 3 306.837 4.038 20 30 DIEDHN CCCCCCCCCN1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201840306 1048387445 /nfs/dbraw/zinc/38/74/45/1048387445.db2.gz YAQLKLYJNNSYTJ-GOSISDBHSA-N 0 3 321.509 4.106 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000600214898 1048392044 /nfs/dbraw/zinc/39/20/44/1048392044.db2.gz GUGSGLXGNBOCRH-UHFFFAOYSA-N 0 3 310.466 4.224 20 30 DIEDHN C=CCCCCNCc1nc2cc(Br)ccc2o1 ZINC001202111506 1048465119 /nfs/dbraw/zinc/46/51/19/1048465119.db2.gz VGVVNTZGAAICNN-UHFFFAOYSA-N 0 3 309.207 4.036 20 30 DIEDHN COC=Cc1ccc(NC(=N)c2ccc(C(F)(F)F)cc2)cc1 ZINC001163685737 1048504407 /nfs/dbraw/zinc/50/44/07/1048504407.db2.gz SAWVLDBKLWWFOA-ZHACJKMWSA-N 0 3 320.314 4.360 20 30 DIEDHN COc1cccc2cc(CNC(C)(C)c3cccc(C#N)c3)oc21 ZINC000850354857 1048635546 /nfs/dbraw/zinc/63/55/46/1048635546.db2.gz BPVPZSURVFILPO-UHFFFAOYSA-N 0 3 320.392 4.338 20 30 DIEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000160153363 1048643974 /nfs/dbraw/zinc/64/39/74/1048643974.db2.gz GJQGIMCJEKAUPV-AWEZNQCLSA-N 0 3 321.405 4.159 20 30 DIEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549597 1048688911 /nfs/dbraw/zinc/68/89/11/1048688911.db2.gz HMLUIKUTTUKCCH-TZMCWYRMSA-N 0 3 302.393 4.143 20 30 DIEDHN N#CC(C(=O)C1CCC2(CC2)CC1)c1ccc2ccccc2n1 ZINC000850742116 1048705397 /nfs/dbraw/zinc/70/53/97/1048705397.db2.gz VUKSYUCKUPWTOS-INIZCTEOSA-N 0 3 304.393 4.381 20 30 DIEDHN C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccc(C#N)cc1 ZINC001190382583 1048724073 /nfs/dbraw/zinc/72/40/73/1048724073.db2.gz JLKKXEJQQNOEFY-ZDUSSCGKSA-N 0 3 300.352 4.072 20 30 DIEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000109797485 1048741882 /nfs/dbraw/zinc/74/18/82/1048741882.db2.gz UJCZNSAKWDWWJC-UHFFFAOYSA-N 0 3 306.409 4.209 20 30 DIEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000109797485 1048741891 /nfs/dbraw/zinc/74/18/91/1048741891.db2.gz UJCZNSAKWDWWJC-UHFFFAOYSA-N 0 3 306.409 4.209 20 30 DIEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000483403176 1048789406 /nfs/dbraw/zinc/78/94/06/1048789406.db2.gz HPLCHYOSHPXKET-IBGZPJMESA-N 0 3 312.363 4.000 20 30 DIEDHN C[C@]1(c2ccccc2)CCCN(Cc2cccc(C#N)c2F)C1 ZINC001190944844 1048804110 /nfs/dbraw/zinc/80/41/10/1048804110.db2.gz SSDZMDDGEMCZCK-FQEVSTJZSA-N 0 3 308.400 4.251 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)cc1F ZINC000483513936 1048812484 /nfs/dbraw/zinc/81/24/84/1048812484.db2.gz POBINUCTQXTGML-GOSISDBHSA-N 0 3 312.363 4.044 20 30 DIEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000483513661 1048812768 /nfs/dbraw/zinc/81/27/68/1048812768.db2.gz OJJWQZOISZRXKJ-CQSZACIVSA-N 0 3 312.388 4.289 20 30 DIEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000483519610 1048813262 /nfs/dbraw/zinc/81/32/62/1048813262.db2.gz QSDVNLIUWZPLKQ-ZDUSSCGKSA-N 0 3 300.352 4.420 20 30 DIEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000038003371 1048816788 /nfs/dbraw/zinc/81/67/88/1048816788.db2.gz AMWSDPBJFJPITI-JTQLQIEISA-N 0 3 321.243 4.233 20 30 DIEDHN C=CC[C@@H]1CCCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412224 1048837364 /nfs/dbraw/zinc/83/73/64/1048837364.db2.gz ZQDSMMGTKWDAKO-JKSUJKDBSA-N 0 3 311.429 4.394 20 30 DIEDHN CC(C)[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1F ZINC000852446921 1048842239 /nfs/dbraw/zinc/84/22/39/1048842239.db2.gz NGLMGHJJGKCVIZ-LJQANCHMSA-N 0 3 312.388 4.215 20 30 DIEDHN N#CCOc1ccc(CN(Cc2ccccc2F)CC2CC2)cc1 ZINC000852564288 1048849329 /nfs/dbraw/zinc/84/93/29/1048849329.db2.gz MDIAQYPPCXOAOW-UHFFFAOYSA-N 0 3 324.399 4.140 20 30 DIEDHN CCCCCCCCCN(C)C(=O)c1cccc2c1CNC2 ZINC000852794695 1048859805 /nfs/dbraw/zinc/85/98/05/1048859805.db2.gz SFTGVMQEUBOPAJ-UHFFFAOYSA-N 0 3 302.462 4.112 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091526 1048880159 /nfs/dbraw/zinc/88/01/59/1048880159.db2.gz LHWPDGCKUZUNPS-IIBYNOLFSA-N 0 3 320.436 4.392 20 30 DIEDHN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000484057590 1048897392 /nfs/dbraw/zinc/89/73/92/1048897392.db2.gz IBVJBNKRMXAYSW-SFHVURJKSA-N 0 3 318.342 4.462 20 30 DIEDHN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741911 1048903034 /nfs/dbraw/zinc/90/30/34/1048903034.db2.gz ACVUYOPGGXEISC-CQSZACIVSA-N 0 3 309.369 4.050 20 30 DIEDHN CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC001191342123 1048919667 /nfs/dbraw/zinc/91/96/67/1048919667.db2.gz OVIRXKVTRVKEAZ-OAHLLOKOSA-N 0 3 308.372 4.170 20 30 DIEDHN C[C@H]1OC2(CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC001203764833 1048992755 /nfs/dbraw/zinc/99/27/55/1048992755.db2.gz NRDLOQBVBQAMTC-MRXNPFEDSA-N 0 3 318.420 4.141 20 30 DIEDHN N#Cc1cccc(CN2CC[C@H](Sc3ccc(F)cc3)C2)c1 ZINC001203763619 1048993193 /nfs/dbraw/zinc/99/31/93/1048993193.db2.gz DEUKGWPCBWVDOG-SFHVURJKSA-N 0 3 312.413 4.064 20 30 DIEDHN C#CCCN(Cc1ccccc1Br)C1CCCC1 ZINC001191743612 1048995900 /nfs/dbraw/zinc/99/59/00/1048995900.db2.gz UFUIRLCYEAMUJN-UHFFFAOYSA-N 0 3 306.247 4.217 20 30 DIEDHN C[C@H]1OC2(CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001203907222 1049027779 /nfs/dbraw/zinc/02/77/79/1049027779.db2.gz ROCJPQQJFMPDFV-MRXNPFEDSA-N 0 3 318.420 4.141 20 30 DIEDHN COc1cccc([C@@H]2CCCCN2Cc2ccc(C#N)cc2)c1 ZINC001203903394 1049028777 /nfs/dbraw/zinc/02/87/77/1049028777.db2.gz DYBGUQSBQUEBFW-FQEVSTJZSA-N 0 3 306.409 4.294 20 30 DIEDHN CCCCCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001192012688 1049032128 /nfs/dbraw/zinc/03/21/28/1049032128.db2.gz IYJOQVHFAXIAES-GOSISDBHSA-N 0 3 305.462 4.344 20 30 DIEDHN CCCCCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001192012688 1049032131 /nfs/dbraw/zinc/03/21/31/1049032131.db2.gz IYJOQVHFAXIAES-GOSISDBHSA-N 0 3 305.462 4.344 20 30 DIEDHN CSCc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC001178561399 1049060775 /nfs/dbraw/zinc/06/07/75/1049060775.db2.gz INGLVXSPERTRPQ-UHFFFAOYSA-N 0 3 316.857 4.364 20 30 DIEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@@H]1C1CCCC1 ZINC001204088828 1049080575 /nfs/dbraw/zinc/08/05/75/1049080575.db2.gz HNGXKRYQMLNXRZ-JKSUJKDBSA-N 0 3 317.860 4.268 20 30 DIEDHN O=C1C=C2CN(Cc3ccc(-c4ccccc4)cc3)CCC2S1 ZINC001204134921 1049091954 /nfs/dbraw/zinc/09/19/54/1049091954.db2.gz HYYZXKJMWNVDQE-LJQANCHMSA-N 0 3 321.445 4.128 20 30 DIEDHN C#Cc1cccc(CNCc2cc(C)c(OC(F)F)c(C)c2)c1 ZINC001178948840 1049112774 /nfs/dbraw/zinc/11/27/74/1049112774.db2.gz BFKAUHVCSPPMCQ-UHFFFAOYSA-N 0 3 315.363 4.176 20 30 DIEDHN CCCCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC001204316048 1049140987 /nfs/dbraw/zinc/14/09/87/1049140987.db2.gz OTXXTSFWNHKHBH-KRWDZBQOSA-N 0 3 300.446 4.381 20 30 DIEDHN CCCCCCCOc1ccc(CN2CC(C3COC3)C2)cc1 ZINC001204367918 1049151162 /nfs/dbraw/zinc/15/11/62/1049151162.db2.gz AULGQRFQLZWIOL-UHFFFAOYSA-N 0 3 317.473 4.114 20 30 DIEDHN COc1cccc(C[C@H]2CCCN(Cc3ccccc3C#N)C2)c1 ZINC001204372990 1049153347 /nfs/dbraw/zinc/15/33/47/1049153347.db2.gz MDGXAEBRLLNNRV-GOSISDBHSA-N 0 3 320.436 4.022 20 30 DIEDHN C=CCN(Cc1ccccc1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001204441243 1049162668 /nfs/dbraw/zinc/16/26/68/1049162668.db2.gz HNXOEDCJESYCOO-NRFANRHFSA-N 0 3 323.436 4.043 20 30 DIEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2ccccc2Cl)o1 ZINC001179438733 1049163890 /nfs/dbraw/zinc/16/38/90/1049163890.db2.gz ZRIPWMKWZZGDLR-ZDUSSCGKSA-N 0 3 305.805 4.017 20 30 DIEDHN CSc1ccc(CNCc2cc3ccccc3[nH]2)cc1C#N ZINC001179584574 1049186052 /nfs/dbraw/zinc/18/60/52/1049186052.db2.gz TUEILQYQHZSTSK-UHFFFAOYSA-N 0 3 307.422 4.051 20 30 DIEDHN C=CCN(Cc1ccc(Br)cc1F)C(C)(C)C ZINC001204556351 1049189978 /nfs/dbraw/zinc/18/99/78/1049189978.db2.gz ZAZNYPVMJIYESO-UHFFFAOYSA-N 0 3 300.215 4.375 20 30 DIEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)c(C)n1C1CCCCC1 ZINC000905080934 1049191407 /nfs/dbraw/zinc/19/14/07/1049191407.db2.gz OMAJDWLOCJYYSF-FBJMNJBLSA-N 0 3 324.428 4.043 20 30 DIEDHN C=C(C)[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573924 1049225976 /nfs/dbraw/zinc/22/59/76/1049225976.db2.gz CLKFOAWYOGJNRA-OLMNPRSZSA-N 0 3 307.384 4.129 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239242 1049229889 /nfs/dbraw/zinc/22/98/89/1049229889.db2.gz QYPDUOCBQNNFBL-FOIQADDNSA-N 0 3 321.424 4.003 20 30 DIEDHN C#CCOc1ccc([C@@H](C)NC2(c3ccc(F)cc3)CC2)cc1 ZINC000777009861 1049231733 /nfs/dbraw/zinc/23/17/33/1049231733.db2.gz YIMBOCJVCFVTMP-OAHLLOKOSA-N 0 3 309.384 4.178 20 30 DIEDHN C=CCN(C/C=C/c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC001179997640 1049246697 /nfs/dbraw/zinc/24/66/97/1049246697.db2.gz REHCMQPIHMZHFX-DHZHZOJOSA-N 0 3 306.453 4.454 20 30 DIEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1C ZINC001179966269 1049252022 /nfs/dbraw/zinc/25/20/22/1049252022.db2.gz IAQWGIDMHAIRMM-UHFFFAOYSA-N 0 3 311.425 4.200 20 30 DIEDHN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484651 1049263831 /nfs/dbraw/zinc/26/38/31/1049263831.db2.gz XFENWBIZONEIRS-YWZLYKJASA-N 0 3 321.424 4.176 20 30 DIEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccc(Cl)cc1Cl ZINC001193913529 1049282757 /nfs/dbraw/zinc/28/27/57/1049282757.db2.gz KMVARPSYRXWBCM-ZDUSSCGKSA-N 0 3 315.288 4.494 20 30 DIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582035 1049283633 /nfs/dbraw/zinc/28/36/33/1049283633.db2.gz LLMLEVXJESFWNS-RTBURBONSA-N 0 3 308.812 4.476 20 30 DIEDHN COc1cccc([C@H]2C[C@H](C)CN2CC#Cc2ccccc2)c1 ZINC001180834330 1049408713 /nfs/dbraw/zinc/40/87/13/1049408713.db2.gz DQKYQUXOMSAIRS-LAUBAEHRSA-N 0 3 305.421 4.130 20 30 DIEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1F ZINC001205243520 1049416832 /nfs/dbraw/zinc/41/68/32/1049416832.db2.gz HVLWGAAFTUPING-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@@H](C)c1ccccc1 ZINC000486726276 1049461528 /nfs/dbraw/zinc/46/15/28/1049461528.db2.gz BFDAXNDSBHTXKK-KRWDZBQOSA-N 0 3 308.425 4.076 20 30 DIEDHN Cc1cc(C)c2c(c1)CN(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000777218675 1049462003 /nfs/dbraw/zinc/46/20/03/1049462003.db2.gz FMDBBVKQGGEAOI-KRWDZBQOSA-N 0 3 320.436 4.153 20 30 DIEDHN Cc1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)ccc1C#N ZINC000486734153 1049463639 /nfs/dbraw/zinc/46/36/39/1049463639.db2.gz GODMECVDRWDQMU-OAQYLSRUSA-N 0 3 320.436 4.048 20 30 DIEDHN N#Cc1cc(CN2CCC[C@H](Cc3ccccc3)C2)ccc1F ZINC001205479054 1049481180 /nfs/dbraw/zinc/48/11/80/1049481180.db2.gz QCURCJHDYPUQBD-QGZVFWFLSA-N 0 3 308.400 4.152 20 30 DIEDHN COc1cccc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001205502296 1049488064 /nfs/dbraw/zinc/48/80/64/1049488064.db2.gz PBYNXTBRFZBRPX-KRWDZBQOSA-N 0 3 324.399 4.086 20 30 DIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N(C)C)cc1 ZINC000777249194 1049488551 /nfs/dbraw/zinc/48/85/51/1049488551.db2.gz JNYCBAUEJMFSPC-FQEVSTJZSA-N 0 3 319.452 4.354 20 30 DIEDHN C=CCCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001195423747 1049529836 /nfs/dbraw/zinc/52/98/36/1049529836.db2.gz FRTCFHOAJZQBRT-OAGGEKHMSA-N 0 3 310.482 4.061 20 30 DIEDHN C=CCCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001195423751 1049530709 /nfs/dbraw/zinc/53/07/09/1049530709.db2.gz FRTCFHOAJZQBRT-PMPSAXMXSA-N 0 3 310.482 4.061 20 30 DIEDHN C=CCOc1ccc(CN[C@@H](C)c2cc3cnccc3o2)cc1 ZINC001205753085 1049555308 /nfs/dbraw/zinc/55/53/08/1049555308.db2.gz SAXBRDNNGWMAOO-AWEZNQCLSA-N 0 3 308.381 4.243 20 30 DIEDHN C=CC[C@H]1CCCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947178 1049599323 /nfs/dbraw/zinc/59/93/23/1049599323.db2.gz RBXXWFIGJXSFIL-HOTGVXAUSA-N 0 3 311.429 4.394 20 30 DIEDHN C#C[C@@H](N[C@@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974820 1049616880 /nfs/dbraw/zinc/61/68/80/1049616880.db2.gz SZPAFZJFGHWKAL-IFXJQAMLSA-N 0 3 307.368 4.467 20 30 DIEDHN C#CC[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265247 1049639674 /nfs/dbraw/zinc/63/96/74/1049639674.db2.gz JLMRMMVRWHVBDO-PMACEKPBSA-N 0 3 320.392 4.326 20 30 DIEDHN CCN(Cc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000119992944 1049649873 /nfs/dbraw/zinc/64/98/73/1049649873.db2.gz AAUWCTGEWRYKNC-CQSZACIVSA-N 0 3 300.427 4.061 20 30 DIEDHN C=C(CN1CCCC1)c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001206094852 1049651785 /nfs/dbraw/zinc/65/17/85/1049651785.db2.gz XWKVHOSHFGHLDB-UHFFFAOYSA-N 0 3 323.371 4.138 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccncc2CC)cc1 ZINC000774477119 1049672818 /nfs/dbraw/zinc/67/28/18/1049672818.db2.gz KFSHORCAUJAIEH-HOTGVXAUSA-N 0 3 308.425 4.068 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccncc2CC)cc1 ZINC000774477115 1049673036 /nfs/dbraw/zinc/67/30/36/1049673036.db2.gz KFSHORCAUJAIEH-CVEARBPZSA-N 0 3 308.425 4.068 20 30 DIEDHN C/C=C\COc1ccc(CC[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC001206328277 1049713393 /nfs/dbraw/zinc/71/33/93/1049713393.db2.gz IPHKBFDJPFGNIS-CWIOURORSA-N 0 3 312.457 4.246 20 30 DIEDHN C[C@H](Cc1ccc(Br)cc1)NCC1(C#N)CCCC1 ZINC001206517026 1049748263 /nfs/dbraw/zinc/74/82/63/1049748263.db2.gz KKHPREGUKNEUDY-CYBMUJFWSA-N 0 3 321.262 4.054 20 30 DIEDHN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000489466860 1049760037 /nfs/dbraw/zinc/76/00/37/1049760037.db2.gz ZRGOMLCXCNONPA-HXUWFJFHSA-N 0 3 320.436 4.479 20 30 DIEDHN Cn1cc(CN2CCC(CCCc3ccccc3)CC2)cc1C#N ZINC001207103620 1049838414 /nfs/dbraw/zinc/83/84/14/1049838414.db2.gz YTNOMXISFPPBMQ-UHFFFAOYSA-N 0 3 321.468 4.132 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000151235851 1049858180 /nfs/dbraw/zinc/85/81/80/1049858180.db2.gz VREMCAXNIBDIRP-HNNXBMFYSA-N 0 3 322.380 4.462 20 30 DIEDHN CCCCCCC/C=C/CN1CCC[C@@H](c2nnc(C)o2)C1 ZINC001208123211 1049975775 /nfs/dbraw/zinc/97/57/75/1049975775.db2.gz GQORBJDMRJLFTJ-OAGJVSPASA-N 0 3 305.466 4.474 20 30 DIEDHN CCCCN(CCC#N)CCCCCOCc1ccccc1 ZINC001208813645 1050012580 /nfs/dbraw/zinc/01/25/80/1050012580.db2.gz OZVXMMOGJMZRJM-UHFFFAOYSA-N 0 3 302.462 4.389 20 30 DIEDHN CC(C)(CCC#N)CNCc1c(Cl)cccc1OC(F)F ZINC000588929542 1050013270 /nfs/dbraw/zinc/01/32/70/1050013270.db2.gz ODFDZKZSBBDRJU-UHFFFAOYSA-N 0 3 316.779 4.361 20 30 DIEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000588954223 1050015955 /nfs/dbraw/zinc/01/59/55/1050015955.db2.gz BZWDQUZFHJFLOV-SJCJKPOMSA-N 0 3 310.372 4.044 20 30 DIEDHN COc1ccc2c(c1F)CC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000588954224 1050016535 /nfs/dbraw/zinc/01/65/35/1050016535.db2.gz BZWDQUZFHJFLOV-SJKOYZFVSA-N 0 3 310.372 4.044 20 30 DIEDHN N#Cc1ccc(CNC2CC(c3cc(F)cc(F)c3)C2)c(F)c1 ZINC000589168784 1050022413 /nfs/dbraw/zinc/02/24/13/1050022413.db2.gz CBDOVLZQYWKTAL-UHFFFAOYSA-N 0 3 316.326 4.011 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000589517066 1050042396 /nfs/dbraw/zinc/04/23/96/1050042396.db2.gz SGKWIDKJQUHIJU-AWEZNQCLSA-N 0 3 308.347 4.199 20 30 DIEDHN C=CCCCCCN1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001209428229 1050057495 /nfs/dbraw/zinc/05/74/95/1050057495.db2.gz CHWMYJOKVXUNBD-IYBDPMFKSA-N 0 3 307.441 4.263 20 30 DIEDHN C=CCCCCCCCN1CCN(CCc2cccs2)CC1 ZINC001209439418 1050059021 /nfs/dbraw/zinc/05/90/21/1050059021.db2.gz OQZHRKQNTHUHCY-UHFFFAOYSA-N 0 3 320.546 4.435 20 30 DIEDHN C=CCN(CCCCCn1cccn1)Cc1ccc(Cl)s1 ZINC000590000607 1050069833 /nfs/dbraw/zinc/06/98/33/1050069833.db2.gz VMTYVFQDIQIXQL-UHFFFAOYSA-N 0 3 323.893 4.457 20 30 DIEDHN N#CCCC[C@H](N[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257856 1050083563 /nfs/dbraw/zinc/08/35/63/1050083563.db2.gz LPVKEWOOIUTQAN-RBUKOAKNSA-N 0 3 305.425 4.484 20 30 DIEDHN N#CCCC[C@H](N[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257854 1050083669 /nfs/dbraw/zinc/08/36/69/1050083669.db2.gz LPVKEWOOIUTQAN-OALUTQOASA-N 0 3 305.425 4.484 20 30 DIEDHN N#CCCC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257857 1050083831 /nfs/dbraw/zinc/08/38/31/1050083831.db2.gz LPVKEWOOIUTQAN-RTBURBONSA-N 0 3 305.425 4.484 20 30 DIEDHN N#CC1(CCN2CCCO[C@H](c3ccccc3)C2)CCCCC1 ZINC000591013275 1050119057 /nfs/dbraw/zinc/11/90/57/1050119057.db2.gz QXNDESQYKGJEJE-IBGZPJMESA-N 0 3 312.457 4.314 20 30 DIEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)cc2cccnc12 ZINC000573272217 1050156207 /nfs/dbraw/zinc/15/62/07/1050156207.db2.gz UKJNMICJVQHCAL-UHFFFAOYSA-N 0 3 313.404 4.194 20 30 DIEDHN CCc1ccc(CNCc2cccc(O[C@H](C#N)CC)c2)s1 ZINC000733800549 1050156688 /nfs/dbraw/zinc/15/66/88/1050156688.db2.gz YYBJNSZBBANKLQ-HNNXBMFYSA-N 0 3 314.454 4.281 20 30 DIEDHN C[C@H](C1CCCCC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000282557827 1050161100 /nfs/dbraw/zinc/16/11/00/1050161100.db2.gz YASANMMSXZBNDN-CQSZACIVSA-N 0 3 324.428 4.009 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2csc(C)c2)c1 ZINC000823887703 1050166024 /nfs/dbraw/zinc/16/60/24/1050166024.db2.gz NVNUIDTTXZXWJT-MRXNPFEDSA-N 0 3 300.427 4.027 20 30 DIEDHN C=CCN(CCCCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000348080277 1050176457 /nfs/dbraw/zinc/17/64/57/1050176457.db2.gz WJNBPWHNFAXRIY-UHFFFAOYSA-N 0 3 323.893 4.375 20 30 DIEDHN CC(C)Cn1nccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000592368129 1050288800 /nfs/dbraw/zinc/28/88/00/1050288800.db2.gz RYNQASOLOVWIOF-IBGZPJMESA-N 0 3 310.445 4.064 20 30 DIEDHN N#Cc1csc(CNC2(c3cccc(Cl)c3)CCC2)c1 ZINC000592376973 1050289820 /nfs/dbraw/zinc/28/98/20/1050289820.db2.gz IIWPAJIHMNMBLW-UHFFFAOYSA-N 0 3 302.830 4.442 20 30 DIEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1csc(C)c1 ZINC000592379620 1050296229 /nfs/dbraw/zinc/29/62/29/1050296229.db2.gz MKYSIRRAKGIGFL-INIZCTEOSA-N 0 3 300.427 4.178 20 30 DIEDHN N#CC[C@@H]1CCCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084458 1050297634 /nfs/dbraw/zinc/29/76/34/1050297634.db2.gz ZAEMRAKLDLGZQD-WFASDCNBSA-N 0 3 323.267 4.476 20 30 DIEDHN CC(C)C[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC#N ZINC000735310323 1050374441 /nfs/dbraw/zinc/37/44/41/1050374441.db2.gz YNMQUBFWGPXUBQ-INIZCTEOSA-N 0 3 306.837 4.253 20 30 DIEDHN C=CCCCCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000785832013 1050418284 /nfs/dbraw/zinc/41/82/84/1050418284.db2.gz QTYJJUJAMKJRLP-UHFFFAOYSA-N 0 3 307.865 4.370 20 30 DIEDHN C[C@H](CCc1ccc(OC(F)F)cc1)NCC1(C#N)CCCC1 ZINC000593653622 1050432937 /nfs/dbraw/zinc/43/29/37/1050432937.db2.gz SPWFCEYUBBNJMK-CQSZACIVSA-N 0 3 322.399 4.283 20 30 DIEDHN N#CC(C(=O)CCSc1ccc(Cl)cc1)c1ccccn1 ZINC000046439371 1050453491 /nfs/dbraw/zinc/45/34/91/1050453491.db2.gz LVSIYNFBBKBEGE-AWEZNQCLSA-N 0 3 316.813 4.094 20 30 DIEDHN CC[C@@H](CC#N)NCC/C=C\c1ccc(Br)cc1 ZINC000594009340 1050473376 /nfs/dbraw/zinc/47/33/76/1050473376.db2.gz CVOOGTCLJOMZSS-QTLSWZBMSA-N 0 3 307.235 4.134 20 30 DIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000046519068 1050494870 /nfs/dbraw/zinc/49/48/70/1050494870.db2.gz QBRILZIUOHZEPQ-UHFFFAOYSA-N 0 3 304.315 4.209 20 30 DIEDHN COc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000594496836 1050519850 /nfs/dbraw/zinc/51/98/50/1050519850.db2.gz XLKRPTFCOUZWAM-UHFFFAOYSA-N 0 3 308.425 4.095 20 30 DIEDHN Cc1nc(C)c([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594514641 1050525668 /nfs/dbraw/zinc/52/56/68/1050525668.db2.gz KNAOHJOYCAOPMJ-CYBMUJFWSA-N 0 3 311.454 4.362 20 30 DIEDHN COc1cccc2c1CC[C@@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000594512144 1050525976 /nfs/dbraw/zinc/52/59/76/1050525976.db2.gz BWDYDYPHNVLYMX-IBGZPJMESA-N 0 3 318.420 4.223 20 30 DIEDHN COc1cccc2c1CC[C@H]2NC1(c2ccc(C#N)cc2)CCC1 ZINC000594512147 1050526649 /nfs/dbraw/zinc/52/66/49/1050526649.db2.gz BWDYDYPHNVLYMX-LJQANCHMSA-N 0 3 318.420 4.223 20 30 DIEDHN COc1c(C)cccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000594509712 1050526694 /nfs/dbraw/zinc/52/66/94/1050526694.db2.gz LGDOTLPCMZUSCT-IBGZPJMESA-N 0 3 306.409 4.043 20 30 DIEDHN N#Cc1ccc(C2(N[C@H]3CCc4ccc(C#N)cc43)CCC2)cc1 ZINC000594520108 1050527488 /nfs/dbraw/zinc/52/74/88/1050527488.db2.gz ZEKKXFMNEVZYPH-FQEVSTJZSA-N 0 3 313.404 4.086 20 30 DIEDHN Cc1ccc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)c(C)n1 ZINC000594519663 1050528434 /nfs/dbraw/zinc/52/84/34/1050528434.db2.gz XMFWYLNJGGKGMG-INIZCTEOSA-N 0 3 305.425 4.300 20 30 DIEDHN N#C[C@@H]1CCC[C@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519713 1050528976 /nfs/dbraw/zinc/52/89/76/1050528976.db2.gz XYZACEZJBTWYSZ-OCCSQVGLSA-N 0 3 324.346 4.246 20 30 DIEDHN C#CCOc1ccc(CNC(C)(C)c2cccc(Cl)c2)cc1 ZINC000738431802 1050534770 /nfs/dbraw/zinc/53/47/70/1050534770.db2.gz YWMAQWANCBVLHB-UHFFFAOYSA-N 0 3 313.828 4.377 20 30 DIEDHN CCOCc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594914730 1050561129 /nfs/dbraw/zinc/56/11/29/1050561129.db2.gz JWVHDQXHWFTDMA-UHFFFAOYSA-N 0 3 320.436 4.068 20 30 DIEDHN CC(C)Oc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594915914 1050564433 /nfs/dbraw/zinc/56/44/33/1050564433.db2.gz XLARJVGTDJCWJG-UHFFFAOYSA-N 0 3 320.436 4.319 20 30 DIEDHN N#CC1(c2ccc(CNCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000594929077 1050565973 /nfs/dbraw/zinc/56/59/73/1050565973.db2.gz YJMMVYCCPYQYGM-UHFFFAOYSA-N 0 3 301.393 4.013 20 30 DIEDHN Cc1ccc(Cl)c(CN[C@@H](C)Cc2cccc(C#N)c2)c1F ZINC001171178228 1050568962 /nfs/dbraw/zinc/56/89/62/1050568962.db2.gz DPUAQYHJTRCDIS-ZDUSSCGKSA-N 0 3 316.807 4.380 20 30 DIEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000594968669 1050572905 /nfs/dbraw/zinc/57/29/05/1050572905.db2.gz MURMMGQLCKBQEA-UHFFFAOYSA-N 0 3 314.816 4.245 20 30 DIEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccc2ccccc2n1 ZINC000845437997 1050580653 /nfs/dbraw/zinc/58/06/53/1050580653.db2.gz IXZTWAAFZZZNDG-IKGGRYGDSA-N 0 3 304.393 4.237 20 30 DIEDHN C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ccc(C#N)cc1 ZINC000595008057 1050591968 /nfs/dbraw/zinc/59/19/68/1050591968.db2.gz PBHWPPOHYJKKRT-NEPJUHHUSA-N 0 3 301.340 4.303 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)NC1(c2ccc(F)cc2F)CC1 ZINC001171191818 1050594056 /nfs/dbraw/zinc/59/40/56/1050594056.db2.gz GFWYCAZGTMRFMI-CYBMUJFWSA-N 0 3 312.363 4.046 20 30 DIEDHN Cc1ncccc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740010587 1050597532 /nfs/dbraw/zinc/59/75/32/1050597532.db2.gz FSBIOWXVFVPYQV-UHFFFAOYSA-N 0 3 319.433 4.280 20 30 DIEDHN C[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000746681375 1050599249 /nfs/dbraw/zinc/59/92/49/1050599249.db2.gz YLOPPDIJCBNVOI-MGPUTAFESA-N 0 3 324.399 4.311 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2ccc(O)cc21 ZINC000595087096 1050609689 /nfs/dbraw/zinc/60/96/89/1050609689.db2.gz AULUMPZCYVJDLL-LEWJYISDSA-N 0 3 318.420 4.308 20 30 DIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCc2ccc(O)cc21 ZINC000595087097 1050610407 /nfs/dbraw/zinc/61/04/07/1050610407.db2.gz AULUMPZCYVJDLL-NHCUHLMSSA-N 0 3 318.420 4.308 20 30 DIEDHN COc1cccc(C2(N[C@@H](C)c3ccc(C#N)cc3)CCC2)c1 ZINC000595093175 1050611408 /nfs/dbraw/zinc/61/14/08/1050611408.db2.gz GGIZCQQHJWJZBW-HNNXBMFYSA-N 0 3 306.409 4.297 20 30 DIEDHN C#Cc1ccc(CN2CCC(Oc3ccc(C)cc3)CC2)cc1 ZINC001144573106 1050621254 /nfs/dbraw/zinc/62/12/54/1050621254.db2.gz BBFLVGGLSCCVOZ-UHFFFAOYSA-N 0 3 305.421 4.020 20 30 DIEDHN CO[C@@H](CN[C@@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418956 1050632752 /nfs/dbraw/zinc/63/27/52/1050632752.db2.gz GVORYHIUJMXMDF-OALUTQOASA-N 0 3 300.446 4.216 20 30 DIEDHN C[C@H](Cc1cccc(C#N)c1)N1CCc2ccc(Cl)cc2C1 ZINC001171203101 1050643212 /nfs/dbraw/zinc/64/32/12/1050643212.db2.gz IZIDGFDXKQXKTN-CQSZACIVSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCc2ccc(Cl)cc2C1 ZINC001171203100 1050643592 /nfs/dbraw/zinc/64/35/92/1050643592.db2.gz IZIDGFDXKQXKTN-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@H](c1ccc(CN2CCC[C@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623976 1050652598 /nfs/dbraw/zinc/65/25/98/1050652598.db2.gz ZUTGHANFRBJMLZ-ZIAGYGMSSA-N 0 3 310.363 4.478 20 30 DIEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cc(Cl)ccc1OCC#N ZINC000741793860 1050743582 /nfs/dbraw/zinc/74/35/82/1050743582.db2.gz BZCHSADIFURZIQ-UONOGXRCSA-N 0 3 306.837 4.253 20 30 DIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980964 1050780876 /nfs/dbraw/zinc/78/08/76/1050780876.db2.gz BYUMLKOGPQITFI-PXAZEXFGSA-N 0 3 311.816 4.335 20 30 DIEDHN CCCN(Cc1cc(COC)cs1)Cc1ccc(C#N)cc1 ZINC000596984073 1050794638 /nfs/dbraw/zinc/79/46/38/1050794638.db2.gz PJUGAEOKZFMICT-UHFFFAOYSA-N 0 3 314.454 4.178 20 30 DIEDHN Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)cc(C)c1F ZINC000772959393 1050805777 /nfs/dbraw/zinc/80/57/77/1050805777.db2.gz LKYRMUAOXYUPHA-HNNXBMFYSA-N 0 3 312.388 4.196 20 30 DIEDHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116965 1050808637 /nfs/dbraw/zinc/80/86/37/1050808637.db2.gz STIOZBLODIYRAN-SWLSCSKDSA-N 0 3 308.347 4.014 20 30 DIEDHN COc1ccc(-c2ccccc2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597175035 1050819367 /nfs/dbraw/zinc/81/93/67/1050819367.db2.gz UVPDSKKEPYFUGN-KRWDZBQOSA-N 0 3 320.436 4.488 20 30 DIEDHN CCCc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000742368606 1050822614 /nfs/dbraw/zinc/82/26/14/1050822614.db2.gz JTYDLLOYXBLXKJ-OAHLLOKOSA-N 0 3 308.425 4.370 20 30 DIEDHN C#CCOc1ccccc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000772986248 1050918502 /nfs/dbraw/zinc/91/85/02/1050918502.db2.gz CASAMYXVQQDEBM-FQEVSTJZSA-N 0 3 305.421 4.330 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000743477688 1051032765 /nfs/dbraw/zinc/03/27/65/1051032765.db2.gz UJNUJNZZQLTUHP-RDTXWAMCSA-N 0 3 312.388 4.357 20 30 DIEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1F ZINC000791570127 1051057785 /nfs/dbraw/zinc/05/77/85/1051057785.db2.gz YSFAWRPJWWUBGH-LJQANCHMSA-N 0 3 317.379 4.077 20 30 DIEDHN COc1ccc(CN[C@H]2C[C@@H](C)c3c2cccc3C)cc1C#N ZINC000773086098 1051058806 /nfs/dbraw/zinc/05/88/06/1051058806.db2.gz YHYOIRMYNCOWIW-KDOFPFPSSA-N 0 3 306.409 4.213 20 30 DIEDHN C#CC[C@@H](N[C@@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108549 1051065640 /nfs/dbraw/zinc/06/56/40/1051065640.db2.gz ZSOBNPGMBSCSOC-VQTJNVASSA-N 0 3 305.421 4.427 20 30 DIEDHN C#CC[C@@H](N[C@@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773117910 1051066658 /nfs/dbraw/zinc/06/66/58/1051066658.db2.gz YICULNZKTDLCMW-RBUKOAKNSA-N 0 3 321.420 4.263 20 30 DIEDHN C#CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117763 1051067754 /nfs/dbraw/zinc/06/77/54/1051067754.db2.gz WHEBOHYHMRNZCC-RBUKOAKNSA-N 0 3 308.381 4.400 20 30 DIEDHN C#CC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118372 1051068964 /nfs/dbraw/zinc/06/89/64/1051068964.db2.gz ZDQQRGMIDUUBFS-DYESRHJHSA-N 0 3 315.420 4.288 20 30 DIEDHN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccc(OCC#N)cc2)C1 ZINC000743857954 1051080195 /nfs/dbraw/zinc/08/01/95/1051080195.db2.gz YQSWNFNTUUTSCQ-FOIQADDNSA-N 0 3 324.399 4.311 20 30 DIEDHN C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876393 1051087740 /nfs/dbraw/zinc/08/77/40/1051087740.db2.gz ZNCPVVFKAYXWFD-CRAIPNDOSA-N 0 3 310.397 4.155 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccccc2)cs1)c1ccco1 ZINC000744037394 1051101753 /nfs/dbraw/zinc/10/17/53/1051101753.db2.gz VEVXUSAEULUPIC-GXTWGEPZSA-N 0 3 322.389 4.383 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000744041249 1051101867 /nfs/dbraw/zinc/10/18/67/1051101867.db2.gz VJBNBQMNLXAYRN-BXUZGUMPSA-N 0 3 324.767 4.461 20 30 DIEDHN CC1(C)c2ccccc2CCN1CCCOc1ccc(C#N)cc1 ZINC001171416245 1051101891 /nfs/dbraw/zinc/10/18/91/1051101891.db2.gz AIFUSKCLLQDGMH-UHFFFAOYSA-N 0 3 320.436 4.121 20 30 DIEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(Cl)c1 ZINC000744041251 1051101992 /nfs/dbraw/zinc/10/19/92/1051101992.db2.gz VJBNBQMNLXAYRN-RISCZKNCSA-N 0 3 324.767 4.461 20 30 DIEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)c1ccco1 ZINC000744118208 1051115523 /nfs/dbraw/zinc/11/55/23/1051115523.db2.gz HSIYHWWLCKFWGS-GXSJLCMTSA-N 0 3 314.341 4.008 20 30 DIEDHN C[C@@H](Cc1ccccc1Cl)N1CCc2ccc(C#N)cc2C1 ZINC001170277213 1051182024 /nfs/dbraw/zinc/18/20/24/1051182024.db2.gz QXJWEXUVUOVIEK-AWEZNQCLSA-N 0 3 310.828 4.201 20 30 DIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC1(CC#N)CCCC1 ZINC001171968615 1051246265 /nfs/dbraw/zinc/24/62/65/1051246265.db2.gz HMJQRNZGIKYBLD-ZDUSSCGKSA-N 0 3 310.363 4.452 20 30 DIEDHN Cc1nc(C#N)ccc1Nc1cccc(CN2CCCCC2)c1F ZINC001215675394 1051292924 /nfs/dbraw/zinc/29/29/24/1051292924.db2.gz GWNFCSOYXGATTR-UHFFFAOYSA-N 0 3 324.403 4.130 20 30 DIEDHN N#Cc1ccccc1Nc1cccc(CN2CCCCC2)c1F ZINC001215677658 1051295463 /nfs/dbraw/zinc/29/54/63/1051295463.db2.gz QRCNBVSNLRVORS-UHFFFAOYSA-N 0 3 309.388 4.427 20 30 DIEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1nc2ccccc2s1 ZINC001172316534 1051338316 /nfs/dbraw/zinc/33/83/16/1051338316.db2.gz UFUXLZLZULVXMZ-CQSZACIVSA-N 0 3 321.449 4.231 20 30 DIEDHN Cc1ccc(Cl)c(CN[C@@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172290335 1051347779 /nfs/dbraw/zinc/34/77/79/1051347779.db2.gz OOILMWZQDHLWEB-ZDUSSCGKSA-N 0 3 316.807 4.380 20 30 DIEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)cccc1Cl ZINC001172290684 1051347987 /nfs/dbraw/zinc/34/79/87/1051347987.db2.gz RGINRGHQZGFQSZ-LBPRGKRZSA-N 0 3 302.780 4.072 20 30 DIEDHN CCCCCCC[C@@H](CC)N1CCc2onc(COC)c2C1 ZINC001172355677 1051370599 /nfs/dbraw/zinc/37/05/99/1051370599.db2.gz QSLWXLOEDRYUPR-OAHLLOKOSA-N 0 3 308.466 4.318 20 30 DIEDHN CCCCCCCC[C@@H](CC)N1CCC(S(C)(=O)=O)CC1 ZINC001172505915 1051425200 /nfs/dbraw/zinc/42/52/00/1051425200.db2.gz XDPLQCCXQXZWCH-MRXNPFEDSA-N 0 3 317.539 4.025 20 30 DIEDHN CC[C@@H](CC#N)N[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578797 1051463731 /nfs/dbraw/zinc/46/37/31/1051463731.db2.gz ROZUNVKUXZSURA-PWSUYJOCSA-N 0 3 300.780 4.221 20 30 DIEDHN C[C@@H](Cc1c(F)cccc1Cl)NCC#Cc1ccccc1 ZINC001172851432 1051536452 /nfs/dbraw/zinc/53/64/52/1051536452.db2.gz JEWABDHAEJXTCJ-AWEZNQCLSA-N 0 3 301.792 4.051 20 30 DIEDHN C[C@@H](CSc1ccc(Cl)cc1)N1CCC[C@@H](CC#N)C1 ZINC001172881225 1051563454 /nfs/dbraw/zinc/56/34/54/1051563454.db2.gz FPQKNPWSOHNWQZ-KBPBESRZSA-N 0 3 308.878 4.446 20 30 DIEDHN C[C@@H]1C[C@@H](Nc2ccc(/N=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372715 1051593008 /nfs/dbraw/zinc/59/30/08/1051593008.db2.gz AGZWVJJYFXEVRN-ZVIWMMDASA-N 0 3 318.424 4.440 20 30 DIEDHN N=C(NC1CCC2(CCCCC2)CC1)c1ccc(Cl)cn1 ZINC001173115332 1051611792 /nfs/dbraw/zinc/61/17/92/1051611792.db2.gz VIPPELKWUYGUTP-UHFFFAOYSA-N 0 3 305.853 4.333 20 30 DIEDHN C=CCN1CCC[C@@H]1c1ccc(NC=CC(=O)C(F)(F)F)cc1 ZINC001169480213 1051623155 /nfs/dbraw/zinc/62/31/55/1051623155.db2.gz ALFRDLNHRURUOJ-BOLDSZDNSA-N 0 3 324.346 4.067 20 30 DIEDHN CCCCCCCC[C@@H](CCC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001173309759 1051681807 /nfs/dbraw/zinc/68/18/07/1051681807.db2.gz KWJJZLUALWRYIN-IAGOWNOFSA-N 0 3 317.539 4.025 20 30 DIEDHN C[C@H](N)c1ncc(-c2ccccc2)n1C1CCC(CC#N)CC1 ZINC001173328997 1051694912 /nfs/dbraw/zinc/69/49/12/1051694912.db2.gz XGCPJTMNEHFKSF-UQPPLGOBSA-N 0 3 308.429 4.215 20 30 DIEDHN Cc1cc(CN(Cc2ccccc2)C2CCC(CC#N)CC2)on1 ZINC001173336780 1051697191 /nfs/dbraw/zinc/69/71/91/1051697191.db2.gz LJDSKGCLZAPTLG-UHFFFAOYSA-N 0 3 323.440 4.458 20 30 DIEDHN C=C[C@](C)(CC)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805926056 1051705042 /nfs/dbraw/zinc/70/50/42/1051705042.db2.gz JWDGDDQJZVAAIR-HXUWFJFHSA-N 0 3 315.457 4.044 20 30 DIEDHN C=C[C@@](C)(CC)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805926055 1051705454 /nfs/dbraw/zinc/70/54/54/1051705454.db2.gz JWDGDDQJZVAAIR-FQEVSTJZSA-N 0 3 315.457 4.044 20 30 DIEDHN C=CCOC1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001173315386 1051709778 /nfs/dbraw/zinc/70/97/78/1051709778.db2.gz MFMYKROVVUIZCB-GRERDSQWSA-N 0 3 322.452 4.274 20 30 DIEDHN C=CC[C@H]1N(Cc2csc(C(=O)OC)c2)CCCC1(C)C ZINC001169845159 1051711103 /nfs/dbraw/zinc/71/11/03/1051711103.db2.gz SOZMBWMQENENDO-OAHLLOKOSA-N 0 3 307.459 4.101 20 30 DIEDHN C=C[C@@H](CC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000152544007 1051722030 /nfs/dbraw/zinc/72/20/30/1051722030.db2.gz KHQYBSLNXVMYGN-KRWDZBQOSA-N 0 3 308.425 4.047 20 30 DIEDHN COc1cc(C#N)ccc1CN1CCC(c2ccc(F)cc2)CC1 ZINC000766906564 1051740326 /nfs/dbraw/zinc/74/03/26/1051740326.db2.gz RPPDFTBWEZYZRX-UHFFFAOYSA-N 0 3 324.399 4.086 20 30 DIEDHN CC1(C#N)CCC(N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173592206 1051756105 /nfs/dbraw/zinc/75/61/05/1051756105.db2.gz KCLIWJOJIUDMQG-VEDCXYSMSA-N 0 3 319.452 4.366 20 30 DIEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847306 1051786511 /nfs/dbraw/zinc/78/65/11/1051786511.db2.gz QDILZDHAFKSWID-ZWNOBZJWSA-N 0 3 314.763 4.113 20 30 DIEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000176532140 1051917136 /nfs/dbraw/zinc/91/71/36/1051917136.db2.gz WKTDILNVWBOBGT-KRWDZBQOSA-N 0 3 312.413 4.033 20 30 DIEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC)cc1[O-] ZINC000768485830 1051934111 /nfs/dbraw/zinc/93/41/11/1051934111.db2.gz ZPFGSUJJAMELBM-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC)cc1[O-] ZINC000768485830 1051934116 /nfs/dbraw/zinc/93/41/16/1051934116.db2.gz ZPFGSUJJAMELBM-UHFFFAOYSA-N 0 3 324.424 4.075 20 30 DIEDHN C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191529962 1051975991 /nfs/dbraw/zinc/97/59/91/1051975991.db2.gz XAZVQGWXBVNXIL-WFASDCNBSA-N 0 3 303.381 4.271 20 30 DIEDHN C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191530004 1051976013 /nfs/dbraw/zinc/97/60/13/1051976013.db2.gz XAZVQGWXBVNXIL-IUODEOHRSA-N 0 3 303.381 4.271 20 30 DIEDHN CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326789 1051992672 /nfs/dbraw/zinc/99/26/72/1051992672.db2.gz VTUOQZASPIJFON-DNVCBOLYSA-N 0 3 324.424 4.399 20 30 DIEDHN Cc1cccc2c1CCN(Cc1cccc(OCCCC#N)c1)C2 ZINC000769339607 1052027978 /nfs/dbraw/zinc/02/79/78/1052027978.db2.gz TVTQVVBUACLPPJ-UHFFFAOYSA-N 0 3 320.436 4.236 20 30 DIEDHN N#Cc1csc(CN2CCC(c3cccc(F)c3)CC2)c1 ZINC000769388492 1052036763 /nfs/dbraw/zinc/03/67/63/1052036763.db2.gz HGWXCJUQPOWRRA-UHFFFAOYSA-N 0 3 300.402 4.138 20 30 DIEDHN C[C@H](C#N)Oc1ccc(CN2Cc3ccccc3C(C)(C)C2)cc1 ZINC000769427767 1052047299 /nfs/dbraw/zinc/04/72/99/1052047299.db2.gz WYKQYUXVQDMHDX-MRXNPFEDSA-N 0 3 320.436 4.271 20 30 DIEDHN N#Cc1cccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)c1 ZINC000193226878 1052257865 /nfs/dbraw/zinc/25/78/65/1052257865.db2.gz FYWPAIRCMGXHGA-UHFFFAOYSA-N 0 3 313.404 4.329 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)Nc1cc(Cl)cc2[nH]ccc21 ZINC001218990364 1052267022 /nfs/dbraw/zinc/26/70/22/1052267022.db2.gz AECMIGKXEBYCKA-AWEZNQCLSA-N 0 3 319.836 4.224 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC001220437554 1052333865 /nfs/dbraw/zinc/33/38/65/1052333865.db2.gz FPYOZMFNQGHIHH-ZWKOTPCHSA-N 0 3 320.452 4.103 20 30 DIEDHN C=CCCCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)c(C)c1 ZINC001220556026 1052342018 /nfs/dbraw/zinc/34/20/18/1052342018.db2.gz VGQSZFLHLQJNKG-YOEHRIQHSA-N 0 3 322.880 4.289 20 30 DIEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000487913739 1052352144 /nfs/dbraw/zinc/35/21/44/1052352144.db2.gz IPOWOEVVUSRFLI-LJQANCHMSA-N 0 3 306.409 4.212 20 30 DIEDHN Cc1cc(C#N)cc(C)c1-c1cncc(CN2CCCCC2)c1 ZINC001222662750 1052523925 /nfs/dbraw/zinc/52/39/25/1052523925.db2.gz CNASFYBPQXQNCY-UHFFFAOYSA-N 0 3 305.425 4.223 20 30 DIEDHN CC(=NNCc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000916345307 1052604490 /nfs/dbraw/zinc/60/44/90/1052604490.db2.gz ZVOYGHGFYYYTPK-UHFFFAOYSA-N 0 3 307.441 4.191 20 30 DIEDHN Cc1cc(CN2CCC[C@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488159819 1052629640 /nfs/dbraw/zinc/62/96/40/1052629640.db2.gz QYCBGNGWWPSOEQ-FQEVSTJZSA-N 0 3 318.420 4.104 20 30 DIEDHN CCCCCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000916897426 1052664953 /nfs/dbraw/zinc/66/49/53/1052664953.db2.gz YYKZSCSIPUOWJK-QGZVFWFLSA-N 0 3 314.429 4.393 20 30 DIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000916913968 1052667063 /nfs/dbraw/zinc/66/70/63/1052667063.db2.gz IVUGBIAUSRVGDP-KRWDZBQOSA-N 0 3 314.429 4.113 20 30 DIEDHN CCCCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000916912324 1052667144 /nfs/dbraw/zinc/66/71/44/1052667144.db2.gz JEOOTDXIKVWEAD-KRWDZBQOSA-N 0 3 314.429 4.257 20 30 DIEDHN CC(C)SCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000917046187 1052682678 /nfs/dbraw/zinc/68/26/78/1052682678.db2.gz HCSGCKBQZMYRQQ-SNVBAGLBSA-N 0 3 324.858 4.268 20 30 DIEDHN C=C(CO[C@H]1CCCN([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738377 1052721292 /nfs/dbraw/zinc/72/12/92/1052721292.db2.gz DSKSLEQSCPWPKJ-QUCCMNQESA-N 0 3 322.452 4.337 20 30 DIEDHN C=C[C@H](CC)OC[C@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001225152599 1052750102 /nfs/dbraw/zinc/75/01/02/1052750102.db2.gz WXCLQBUCYNFNHF-QUCCMNQESA-N 0 3 317.473 4.037 20 30 DIEDHN COc1ccccc1[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000609280906 1052806841 /nfs/dbraw/zinc/80/68/41/1052806841.db2.gz VPSFAPHAXJGPNY-LJQANCHMSA-N 0 3 306.409 4.294 20 30 DIEDHN CCCCCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000919762325 1052887686 /nfs/dbraw/zinc/88/76/86/1052887686.db2.gz IKJDBOPPCUOYTE-PKOBYXMFSA-N 0 3 316.489 4.299 20 30 DIEDHN C=CCc1cc(OCC)cc(CN2CCc3ccccc3C2)c1O ZINC000919935820 1052904946 /nfs/dbraw/zinc/90/49/46/1052904946.db2.gz KISLOUYRPRLMFX-UHFFFAOYSA-N 0 3 323.436 4.078 20 30 DIEDHN CN(CC/N=C/c1c(O)ccc2ccccc21)Cc1ccccc1 ZINC000920173351 1052926332 /nfs/dbraw/zinc/92/63/32/1052926332.db2.gz CQAXDOJDXGYIIV-PXLXIMEGSA-N 0 3 318.420 4.096 20 30 DIEDHN CN(C)[C@H](C/N=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000920942507 1052955501 /nfs/dbraw/zinc/95/55/01/1052955501.db2.gz DWRXXJWQUDZSMB-IDCRMVTHSA-N 0 3 318.420 4.267 20 30 DIEDHN C[C@@H](Cc1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000921130831 1052962713 /nfs/dbraw/zinc/96/27/13/1052962713.db2.gz CZIGIKDIEQEYSM-WFASDCNBSA-N 0 3 322.339 4.022 20 30 DIEDHN Cc1ccc(OC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609823636 1052994249 /nfs/dbraw/zinc/99/42/49/1052994249.db2.gz ZILJFPZKRJPUOL-KRWDZBQOSA-N 0 3 320.436 4.471 20 30 DIEDHN C[C@H](c1ccc(C#N)cc1)N1CCS[C@H](c2ccccc2)C1 ZINC000609823458 1052994385 /nfs/dbraw/zinc/99/43/85/1052994385.db2.gz HLCVLTQAEIFEJM-BEFAXECRSA-N 0 3 308.450 4.409 20 30 DIEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cc(C#N)ccc1F ZINC000609916457 1052999267 /nfs/dbraw/zinc/99/92/67/1052999267.db2.gz PWRUMFLNMVLPMM-XJKSGUPXSA-N 0 3 312.363 4.214 20 30 DIEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cc1F ZINC000609915631 1052999313 /nfs/dbraw/zinc/99/93/13/1052999313.db2.gz HQWLLORTRYSUSD-ZDUSSCGKSA-N 0 3 316.807 4.414 20 30 DIEDHN C#CCOc1ccc(CNCc2oc3ccc(F)cc3c2C)cc1 ZINC000237604139 1053015010 /nfs/dbraw/zinc/01/50/10/1053015010.db2.gz FOLXZPKYQZMOSO-UHFFFAOYSA-N 0 3 323.367 4.182 20 30 DIEDHN C=CCc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC001227921837 1053029361 /nfs/dbraw/zinc/02/93/61/1053029361.db2.gz CBOYCKIJMGCRAD-IBGZPJMESA-N 0 3 323.436 4.077 20 30 DIEDHN C[C@H](NCc1ccc(OCC2CC2)cc1)c1cccc(C#N)c1 ZINC000616475752 1053056607 /nfs/dbraw/zinc/05/66/07/1053056607.db2.gz UHTHUXWIYMGUGB-HNNXBMFYSA-N 0 3 306.409 4.198 20 30 DIEDHN CCOc1cccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541957 1053065920 /nfs/dbraw/zinc/06/59/20/1053065920.db2.gz IHOZHVHWPGOCMF-CVEARBPZSA-N 0 3 324.424 4.399 20 30 DIEDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000181055691 1053124778 /nfs/dbraw/zinc/12/47/78/1053124778.db2.gz WJQSLQMWOJYOKC-CQSZACIVSA-N 0 3 316.408 4.108 20 30 DIEDHN Cc1cccc(C#N)c1OC(C(=O)c1ccco1)c1ccco1 ZINC001229183431 1053268375 /nfs/dbraw/zinc/26/83/75/1053268375.db2.gz WEBMNCGOJLGYCM-GOSISDBHSA-N 0 3 307.305 4.056 20 30 DIEDHN Cc1cc(CNCc2ccc(OC(C)(C)C)cc2)ccc1C#N ZINC000618192004 1053282264 /nfs/dbraw/zinc/28/22/64/1053282264.db2.gz MCHNJZWPQXOCGK-UHFFFAOYSA-N 0 3 308.425 4.334 20 30 DIEDHN N#CC(CCN1CC=CCC1)(c1ccccc1)c1ccccc1 ZINC000618304575 1053293228 /nfs/dbraw/zinc/29/32/28/1053293228.db2.gz SUTLECCOXGSRHI-UHFFFAOYSA-N 0 3 302.421 4.148 20 30 DIEDHN C=C[C@H](Oc1ccc(C(=O)CCN(C)C)cc1)c1ccccc1 ZINC001229302214 1053295381 /nfs/dbraw/zinc/29/53/81/1053295381.db2.gz GSPJTBOIPDJSGS-FQEVSTJZSA-N 0 3 309.409 4.127 20 30 DIEDHN C=C[C@H](COC)NCc1ccc(-c2ccccc2Cl)s1 ZINC001320293918 1053323562 /nfs/dbraw/zinc/32/35/62/1053323562.db2.gz FGKBLHWUOMLZIK-GFCCVEGCSA-N 0 3 307.846 4.359 20 30 DIEDHN Cc1cc(CN2CCS[C@@H](c3ccccc3)C2)ccc1C#N ZINC000618594402 1053328692 /nfs/dbraw/zinc/32/86/92/1053328692.db2.gz SILMPHFTQZLPOU-LJQANCHMSA-N 0 3 308.450 4.157 20 30 DIEDHN CC(C)N(CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000182109118 1053354627 /nfs/dbraw/zinc/35/46/27/1053354627.db2.gz PWFIXYWUUKBSOJ-UHFFFAOYSA-N 0 3 306.409 4.042 20 30 DIEDHN CCc1nc2c(s1)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801464 1053367088 /nfs/dbraw/zinc/36/70/88/1053367088.db2.gz AZQCBSPJWXUPMP-JKSUJKDBSA-N 0 3 323.465 4.232 20 30 DIEDHN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801845 1053367694 /nfs/dbraw/zinc/36/76/94/1053367694.db2.gz BKHYLBAHLFGIFM-MSOLQXFVSA-N 0 3 306.409 4.442 20 30 DIEDHN CC[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805728 1053369902 /nfs/dbraw/zinc/36/99/02/1053369902.db2.gz PAJGGYSVRIQMKS-RTBURBONSA-N 0 3 321.380 4.195 20 30 DIEDHN CCOc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804782 1053370609 /nfs/dbraw/zinc/37/06/09/1053370609.db2.gz MJYGTWGCXZGIFP-XOBRGWDASA-N 0 3 306.409 4.295 20 30 DIEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2ccc(F)cc21 ZINC000618804653 1053371034 /nfs/dbraw/zinc/37/10/34/1053371034.db2.gz BWUBSYPNFZCCCS-UXHICEINSA-N 0 3 306.384 4.352 20 30 DIEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808082 1053374080 /nfs/dbraw/zinc/37/40/80/1053374080.db2.gz YVNZYVJWVLEXFE-ORAYPTAESA-N 0 3 323.415 4.101 20 30 DIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295509 1053406678 /nfs/dbraw/zinc/40/66/78/1053406678.db2.gz ADFKWFKYUJUUDJ-GVXVVHGQSA-N 0 3 312.335 4.160 20 30 DIEDHN Cc1ccc2cc(CNCc3ccc(C#N)c(Cl)c3)ccc2n1 ZINC000619748657 1053554400 /nfs/dbraw/zinc/55/44/00/1053554400.db2.gz KZLMSYRTBIAARO-UHFFFAOYSA-N 0 3 321.811 4.358 20 30 DIEDHN CCCOc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748664 1053554898 /nfs/dbraw/zinc/55/48/98/1053554898.db2.gz QDEFQHXJMQSGGP-UHFFFAOYSA-N 0 3 314.816 4.290 20 30 DIEDHN N#Cc1ccc(CNC/C=C\c2ccc(F)cc2F)cc1Cl ZINC000619748499 1053554965 /nfs/dbraw/zinc/55/49/65/1053554965.db2.gz MRDPJYPZKBMGOX-UPHRSURJSA-N 0 3 318.754 4.293 20 30 DIEDHN C=C[C@H](COC)N[C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021813 1053616709 /nfs/dbraw/zinc/61/67/09/1053616709.db2.gz MFSIRLIGLYCMIP-DGCLKSJQSA-N 0 3 319.392 4.193 20 30 DIEDHN C=CC[C@H](C)NCc1cc(Cl)c(C)cc1Br ZINC001200526892 1053736056 /nfs/dbraw/zinc/73/60/56/1053736056.db2.gz XHEMXTOCBBGVIP-JTQLQIEISA-N 0 3 302.643 4.465 20 30 DIEDHN CSCc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001325887919 1053740720 /nfs/dbraw/zinc/74/07/20/1053740720.db2.gz NWUIKIUGNBXDMI-UHFFFAOYSA-N 0 3 322.477 4.263 20 30 DIEDHN N#CC[C@@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578072 1053788698 /nfs/dbraw/zinc/78/86/98/1053788698.db2.gz IOQLRAOPGVIUMW-FQEVSTJZSA-N 0 3 314.432 4.212 20 30 DIEDHN C=CCOc1cccc(CN(CC)Cc2ccc(OC)cc2)c1 ZINC001231624635 1053804463 /nfs/dbraw/zinc/80/44/63/1053804463.db2.gz SPHSSOISQAPLLJ-UHFFFAOYSA-N 0 3 311.425 4.282 20 30 DIEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(C(C)(C)C#N)cc1 ZINC001326795580 1053804414 /nfs/dbraw/zinc/80/44/14/1053804414.db2.gz YBMAKHXVWUKQBO-UHFFFAOYSA-N 0 3 324.472 4.140 20 30 DIEDHN COc1cc(C#N)ccc1CN(Cc1ccccc1)C1CCC1 ZINC001231622058 1053806867 /nfs/dbraw/zinc/80/68/67/1053806867.db2.gz OVTHYHLWALDWGC-UHFFFAOYSA-N 0 3 306.409 4.122 20 30 DIEDHN COc1cc(C)c(CN2CCC[C@H](CC#N)C2)cc1C(C)C ZINC001231626600 1053808161 /nfs/dbraw/zinc/80/81/61/1053808161.db2.gz NBPOSCZZKLNZKG-MRXNPFEDSA-N 0 3 300.446 4.253 20 30 DIEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC001354613974 1053924485 /nfs/dbraw/zinc/92/44/85/1053924485.db2.gz JYKCRYGELIHQST-OAHLLOKOSA-N 0 3 324.472 4.286 20 30 DIEDHN N#CCCN(Cc1cc2c[nH]ccc-2n1)C1CCCCCCC1 ZINC001232014402 1053938363 /nfs/dbraw/zinc/93/83/63/1053938363.db2.gz HFKLBYFXZOATCO-UHFFFAOYSA-N 0 3 310.445 4.391 20 30 DIEDHN C=CCCN(Cc1ccccc1)Cc1ccc(OC(F)F)nc1 ZINC001232955080 1054159760 /nfs/dbraw/zinc/15/97/60/1054159760.db2.gz VEPGQSDYQOTMTI-UHFFFAOYSA-N 0 3 318.367 4.261 20 30 DIEDHN CN(Cc1cc2ccccc2[nH]1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001333924517 1054175592 /nfs/dbraw/zinc/17/55/92/1054175592.db2.gz QIRAEZPWFLBVBL-UHFFFAOYSA-N 0 3 315.420 4.355 20 30 DIEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111817 1054296960 /nfs/dbraw/zinc/29/69/60/1054296960.db2.gz GUSAYGWOVYZRDU-YJBOKZPZSA-N 0 3 311.425 4.214 20 30 DIEDHN CC(C)Oc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC001343274156 1054441941 /nfs/dbraw/zinc/44/19/41/1054441941.db2.gz ZGBZMRIPICXXGY-UHFFFAOYSA-N 0 3 320.436 4.187 20 30 DIEDHN Cc1cccc(N(C)c2ccc(CN3CCC(C#N)CC3)cc2)c1 ZINC001234158562 1054443474 /nfs/dbraw/zinc/44/34/74/1054443474.db2.gz PSALGDVRRPGLSA-UHFFFAOYSA-N 0 3 319.452 4.499 20 30 DIEDHN N#CC(C(=O)CC1(C(F)(F)F)CC1)c1ccc2ccccc2n1 ZINC001343775293 1054452076 /nfs/dbraw/zinc/45/20/76/1054452076.db2.gz CXBWHQYMUUDMDR-LBPRGKRZSA-N 0 3 318.298 4.144 20 30 DIEDHN CN(c1ccc(CN2CCC(C#N)CC2)cc1)c1ccccc1F ZINC001234222366 1054460148 /nfs/dbraw/zinc/46/01/48/1054460148.db2.gz QBAQRLDVQLNJKP-UHFFFAOYSA-N 0 3 323.415 4.329 20 30 DIEDHN C=C[C@H](CCCCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234245125 1054471404 /nfs/dbraw/zinc/47/14/04/1054471404.db2.gz UKHPLLREMVNPNY-OAHLLOKOSA-N 0 3 309.425 4.410 20 30 DIEDHN C=C[C@@H](CCCCC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234245124 1054471927 /nfs/dbraw/zinc/47/19/27/1054471927.db2.gz UKHPLLREMVNPNY-HNNXBMFYSA-N 0 3 309.425 4.410 20 30 DIEDHN CC1(C)CCCC[C@@H]1CC(=O)C(C#N)c1ncc(F)cc1F ZINC001345621272 1054504398 /nfs/dbraw/zinc/50/43/98/1054504398.db2.gz GWMOSGGGMRRZHA-DGCLKSJQSA-N 0 3 306.356 4.143 20 30 DIEDHN CCC[C@@H](C(=O)C(C#N)c1ncc(F)cc1F)c1ccccc1 ZINC001346001114 1054525079 /nfs/dbraw/zinc/52/50/79/1054525079.db2.gz VYJWCUVMCQZQIG-CABCVRRESA-N 0 3 314.335 4.120 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C1CCC(c2ccccc2)CC1 ZINC001346097052 1054527291 /nfs/dbraw/zinc/52/72/91/1054527291.db2.gz WWUFSZXFOAGSFU-ABHNRTSZSA-N 0 3 321.424 4.053 20 30 DIEDHN C=C(CN[C@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000671295643 1054527720 /nfs/dbraw/zinc/52/77/20/1054527720.db2.gz ROROMHNOYRNLPI-CYBMUJFWSA-N 0 3 302.805 4.108 20 30 DIEDHN C=C(CN[C@@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000671295644 1054528159 /nfs/dbraw/zinc/52/81/59/1054528159.db2.gz ROROMHNOYRNLPI-ZDUSSCGKSA-N 0 3 302.805 4.108 20 30 DIEDHN CCC[C@H]1[C@@H](C)CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775777 1054532831 /nfs/dbraw/zinc/53/28/31/1054532831.db2.gz CSVHYBBMMHRTDA-YOEHRIQHSA-N 0 3 324.428 4.009 20 30 DIEDHN CC1=C(C)C[C@@](C)(C(=O)C(C#N)c2ncc(F)cc2F)CC1 ZINC001346763727 1054548696 /nfs/dbraw/zinc/54/86/96/1054548696.db2.gz LJIRIGDUORWGDW-DYVFJYSZSA-N 0 3 304.340 4.063 20 30 DIEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)cc2C)c1 ZINC000073012115 1054613990 /nfs/dbraw/zinc/61/39/90/1054613990.db2.gz HDJCBKODTGBBOI-LJQANCHMSA-N 0 3 308.425 4.274 20 30 DIEDHN N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234997132 1054640956 /nfs/dbraw/zinc/64/09/56/1054640956.db2.gz TYBHEXKZWRDFFO-MRXNPFEDSA-N 0 3 306.409 4.185 20 30 DIEDHN N#CC[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234997132 1054640961 /nfs/dbraw/zinc/64/09/61/1054640961.db2.gz TYBHEXKZWRDFFO-MRXNPFEDSA-N 0 3 306.409 4.185 20 30 DIEDHN CCCCCCCCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001450407128 1054647910 /nfs/dbraw/zinc/64/79/10/1054647910.db2.gz HQEAPHYLMCUZMM-GOSISDBHSA-N 0 3 322.537 4.460 20 30 DIEDHN C=CCC[C@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000180042913 1054728038 /nfs/dbraw/zinc/72/80/38/1054728038.db2.gz PBXWYSSDDREQTA-IBGZPJMESA-N 0 3 306.409 4.364 20 30 DIEDHN COc1cccc([C@H]2CCCCN2Cc2ccccc2CC#N)c1 ZINC001235522200 1054735941 /nfs/dbraw/zinc/73/59/41/1054735941.db2.gz ASMPWGJFUQHXJW-OAQYLSRUSA-N 0 3 320.436 4.488 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccc(F)c(C#N)c3)c(C)c2)CC1 ZINC001235889927 1054830675 /nfs/dbraw/zinc/83/06/75/1054830675.db2.gz KWBKTGOCZNPRGL-UHFFFAOYSA-N 0 3 321.399 4.177 20 30 DIEDHN C=CCC[C@H](NC[C@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032450 1054861374 /nfs/dbraw/zinc/86/13/74/1054861374.db2.gz MUXIAJZHPCNVTJ-HKUYNNGSSA-N 0 3 315.413 4.273 20 30 DIEDHN C=CC(C)(C)CCN[C@@H](C)c1ncc(Br)s1 ZINC000624038269 1054864290 /nfs/dbraw/zinc/86/42/90/1054864290.db2.gz ZPMBHCQAQCDMGW-VIFPVBQESA-N 0 3 303.269 4.159 20 30 DIEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181862727 1054944415 /nfs/dbraw/zinc/94/44/15/1054944415.db2.gz HEKROJGQSICWIW-KRWDZBQOSA-N 0 3 322.427 4.128 20 30 DIEDHN C[C@@H](NCCCSCC#N)c1nc(-c2ccccc2)cs1 ZINC000184516894 1055077231 /nfs/dbraw/zinc/07/72/31/1055077231.db2.gz SGHDBOXLXNTZAL-CYBMUJFWSA-N 0 3 317.483 4.108 20 30 DIEDHN CCCCCCCCCCN(C)Cc1nc2c(s1)CNCC2 ZINC001236422213 1055108054 /nfs/dbraw/zinc/10/80/54/1055108054.db2.gz DBVOQNSSPOODFH-UHFFFAOYSA-N 0 3 323.550 4.361 20 30 DIEDHN Cc1ccnc(C#N)c1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236474141 1055133984 /nfs/dbraw/zinc/13/39/84/1055133984.db2.gz QAUGJNVKFXZYJG-MOPGFXCFSA-N 0 3 315.420 4.082 20 30 DIEDHN N#Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)c(F)c1 ZINC001236532874 1055165484 /nfs/dbraw/zinc/16/54/84/1055165484.db2.gz JQWKTLDOAXCSJE-UHFFFAOYSA-N 0 3 312.363 4.489 20 30 DIEDHN CCN(CC)Cc1ccc(-c2cc(C#N)ccc2OC)cc1F ZINC001236544620 1055173098 /nfs/dbraw/zinc/17/30/98/1055173098.db2.gz BBUKXWYHFDWNKJ-UHFFFAOYSA-N 0 3 312.388 4.215 20 30 DIEDHN C=CCN(CC=C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236788737 1055257669 /nfs/dbraw/zinc/25/76/69/1055257669.db2.gz KMTSOGPLNSOPEH-UHFFFAOYSA-N 0 3 309.409 4.145 20 30 DIEDHN N#CCC1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237003838 1055336587 /nfs/dbraw/zinc/33/65/87/1055336587.db2.gz ICHBGTFQYMXBMS-UHFFFAOYSA-N 0 3 309.388 4.013 20 30 DIEDHN C#C[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237018192 1055340858 /nfs/dbraw/zinc/34/08/58/1055340858.db2.gz RPKLKFYWMWQEKJ-HNNXBMFYSA-N 0 3 310.828 4.247 20 30 DIEDHN C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)(C)C ZINC001237058618 1055355128 /nfs/dbraw/zinc/35/51/28/1055355128.db2.gz CVDAPZHZPVJXEH-UHFFFAOYSA-N 0 3 317.351 4.120 20 30 DIEDHN C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)(C)C ZINC001237058618 1055355145 /nfs/dbraw/zinc/35/51/45/1055355145.db2.gz CVDAPZHZPVJXEH-UHFFFAOYSA-N 0 3 317.351 4.120 20 30 DIEDHN C=CC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)(C)C ZINC001237116180 1055373896 /nfs/dbraw/zinc/37/38/96/1055373896.db2.gz YJEKJAWVHXUXTC-UHFFFAOYSA-N 0 3 303.324 4.077 20 30 DIEDHN C=CC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)(C)C ZINC001237116180 1055373912 /nfs/dbraw/zinc/37/39/12/1055373912.db2.gz YJEKJAWVHXUXTC-UHFFFAOYSA-N 0 3 303.324 4.077 20 30 DIEDHN C=CCCC[C@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000765480827 1055397891 /nfs/dbraw/zinc/39/78/91/1055397891.db2.gz KQXLWPZBXGAFGM-KRWDZBQOSA-N 0 3 315.457 4.187 20 30 DIEDHN COc1ccc(-c2ccccc2)c(CN2CCC(C)(C#N)CC2)c1 ZINC001237311887 1055425040 /nfs/dbraw/zinc/42/50/40/1055425040.db2.gz SWCHKCRNCNCVGU-UHFFFAOYSA-N 0 3 320.436 4.488 20 30 DIEDHN N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237644861 1055494563 /nfs/dbraw/zinc/49/45/63/1055494563.db2.gz DVTWXBGJCOQOBZ-HNNXBMFYSA-N 0 3 324.399 4.324 20 30 DIEDHN N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237644861 1055494575 /nfs/dbraw/zinc/49/45/75/1055494575.db2.gz DVTWXBGJCOQOBZ-HNNXBMFYSA-N 0 3 324.399 4.324 20 30 DIEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001237751651 1055522022 /nfs/dbraw/zinc/52/20/22/1055522022.db2.gz OOBRWSSGOQIPLU-INIZCTEOSA-N 0 3 310.828 4.276 20 30 DIEDHN C=CC[C@@H](CC)NCc1nc2cc(Br)ccc2o1 ZINC001620916419 1055538779 /nfs/dbraw/zinc/53/87/79/1055538779.db2.gz RFXNRDWRRWUBTK-LLVKDONJSA-N 0 3 309.207 4.035 20 30 DIEDHN C#CCOc1ccc([C@H](C)N[C@@H](CCC)c2ccccn2)cc1 ZINC000765735391 1055570679 /nfs/dbraw/zinc/57/06/79/1055570679.db2.gz MDXLUPRQNKMDME-JXFKEZNVSA-N 0 3 308.425 4.286 20 30 DIEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001168553782 1055572866 /nfs/dbraw/zinc/57/28/66/1055572866.db2.gz XAMKXBWBACDGMP-CKYFFXLPSA-N 0 3 314.763 4.284 20 30 DIEDHN CCCCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001595503365 1055604963 /nfs/dbraw/zinc/60/49/63/1055604963.db2.gz SGWHTGWYSRKARJ-IBGZPJMESA-N 0 3 316.489 4.128 20 30 DIEDHN C#CC1CCN(Cc2ccc(F)c(OCc3ccccc3)c2)CC1 ZINC001238347420 1055643905 /nfs/dbraw/zinc/64/39/05/1055643905.db2.gz KUWOFFTTZDESKB-UHFFFAOYSA-N 0 3 323.411 4.250 20 30 DIEDHN Cc1ccc(OC(C)C)cc1CN(C)Cc1cccc(C#N)c1 ZINC001238480378 1055668260 /nfs/dbraw/zinc/66/82/60/1055668260.db2.gz MIKSVEBLLSXQML-UHFFFAOYSA-N 0 3 308.425 4.286 20 30 DIEDHN N#CC1CCN(Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001238690654 1055723853 /nfs/dbraw/zinc/72/38/53/1055723853.db2.gz QNGWULPJZJEWDL-UHFFFAOYSA-N 0 3 311.816 4.138 20 30 DIEDHN CCc1cc(CN2CCC[C@H]2c2cccc(OC)c2)ccc1C#N ZINC001238777672 1055747583 /nfs/dbraw/zinc/74/75/83/1055747583.db2.gz FSTIUXAVPSWCIF-NRFANRHFSA-N 0 3 320.436 4.466 20 30 DIEDHN CCCCCCCCCOC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001239312383 1055864124 /nfs/dbraw/zinc/86/41/24/1055864124.db2.gz SPAGKPPVMHOQHF-CQSZACIVSA-N 0 3 323.437 4.398 20 30 DIEDHN CCCCCCCCOC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001239313512 1055865819 /nfs/dbraw/zinc/86/58/19/1055865819.db2.gz CCEHVAAKUPEDKV-UHFFFAOYSA-N 0 3 320.433 4.078 20 30 DIEDHN C=CCOc1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000671723940 1055878406 /nfs/dbraw/zinc/87/84/06/1055878406.db2.gz SJGJUQJBMHEVMK-UHFFFAOYSA-N 0 3 304.393 4.089 20 30 DIEDHN C#CCOc1ccccc1CNCC(CC)(CC)C(F)(F)F ZINC001621037572 1055999192 /nfs/dbraw/zinc/99/91/92/1055999192.db2.gz RQNJDIGXFWZKJV-UHFFFAOYSA-N 0 3 313.363 4.157 20 30 DIEDHN CCCCCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001540762863 1056072014 /nfs/dbraw/zinc/07/20/14/1056072014.db2.gz LVLYIRGOQGTXOS-SFHVURJKSA-N 0 3 314.489 4.066 20 30 DIEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000186319416 1056101606 /nfs/dbraw/zinc/10/16/06/1056101606.db2.gz RCVKNVUENDFDOJ-CYBMUJFWSA-N 0 3 316.351 4.319 20 30 DIEDHN CCCCCCCCCN(C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC001542244342 1056112106 /nfs/dbraw/zinc/11/21/06/1056112106.db2.gz HMWJECYAKDLMCT-SFHVURJKSA-N 0 3 308.510 4.212 20 30 DIEDHN CCCCCCCCCN(C)C(=O)[C@H]1CCN1C1CCCC1 ZINC001542244341 1056112389 /nfs/dbraw/zinc/11/23/89/1056112389.db2.gz HMWJECYAKDLMCT-GOSISDBHSA-N 0 3 308.510 4.212 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000131561407 1056125759 /nfs/dbraw/zinc/12/57/59/1056125759.db2.gz HJCFZRMCUAGSAX-BLLLJJGKSA-N 0 3 324.380 4.063 20 30 DIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000131561407 1056125765 /nfs/dbraw/zinc/12/57/65/1056125765.db2.gz HJCFZRMCUAGSAX-BLLLJJGKSA-N 0 3 324.380 4.063 20 30 DIEDHN N#Cc1c(F)cc(-c2ccc(CN3CCCC3)c(F)c2)cc1F ZINC001239931437 1056167209 /nfs/dbraw/zinc/16/72/09/1056167209.db2.gz KEMJURDEGIOIAK-UHFFFAOYSA-N 0 3 316.326 4.238 20 30 DIEDHN N#CCC1(CN[C@@H](COCc2ccccc2)c2ccccc2)CC1 ZINC001168632998 1056258349 /nfs/dbraw/zinc/25/83/49/1056258349.db2.gz IAAMOLJPGLYDQL-FQEVSTJZSA-N 0 3 320.436 4.228 20 30 DIEDHN [O-]/N=C/c1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC001240174551 1056363244 /nfs/dbraw/zinc/36/32/44/1056363244.db2.gz OVFIPBHTNRNBNZ-FYJGNVAPSA-N 0 3 312.388 4.287 20 30 DIEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC001620825222 1056392912 /nfs/dbraw/zinc/39/29/12/1056392912.db2.gz ISZKGFXWRZXAAH-AWEZNQCLSA-N 0 3 315.388 4.250 20 30 DIEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000072742245 1056467800 /nfs/dbraw/zinc/46/78/00/1056467800.db2.gz XTQXJUYINOBPAM-MRXNPFEDSA-N 0 3 313.404 4.471 20 30 DIEDHN N#CCOc1cc(F)ccc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388034 1056471572 /nfs/dbraw/zinc/47/15/72/1056471572.db2.gz ZFHUMMZHIDUCOX-UHFFFAOYSA-N 0 3 322.383 4.017 20 30 DIEDHN C#CCN(Cc1cccc(OC(C)(C)C)n1)C1CCCCC1 ZINC001615367221 1056499450 /nfs/dbraw/zinc/49/94/50/1056499450.db2.gz UJXZGFUHCPUKFJ-UHFFFAOYSA-N 0 3 300.446 4.027 20 30 DIEDHN Cc1ccc([C@@H](C)NCc2c(C)cc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000921818548 1056514940 /nfs/dbraw/zinc/51/49/40/1056514940.db2.gz PUZHAPATVUIPCO-OAHLLOKOSA-N 0 3 323.396 4.243 20 30 DIEDHN CCS[C@H]1CCCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001615477740 1056515685 /nfs/dbraw/zinc/51/56/85/1056515685.db2.gz QTKIHTOTQWRTQV-INIZCTEOSA-N 0 3 308.878 4.319 20 30 DIEDHN C=CCN(CC1CCCCC1)[C@H]1CCc2ccccc2NC1=O ZINC001615506368 1056522320 /nfs/dbraw/zinc/52/23/20/1056522320.db2.gz ZISISYLCCVGZBT-IBGZPJMESA-N 0 3 312.457 4.008 20 30 DIEDHN C[C@@H]1c2cc(F)cc(F)c2CCN1CC1CCC(C#N)CC1 ZINC001616333144 1056637001 /nfs/dbraw/zinc/63/70/01/1056637001.db2.gz XHUBZZKKPDBLNT-IYXRBSQSSA-N 0 3 304.384 4.214 20 30 DIEDHN C[C@@H]1CCCC[C@H]1OCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898684 1056734835 /nfs/dbraw/zinc/73/48/35/1056734835.db2.gz GOJWLPYZNTXMLE-DYESRHJHSA-N 0 3 324.468 4.243 20 30 DIEDHN CCC1(CC)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001617231032 1056798245 /nfs/dbraw/zinc/79/82/45/1056798245.db2.gz DPNNAPXMPVNUMO-UHFFFAOYSA-N 0 3 315.417 4.259 20 30 DIEDHN N#CCCC[C@H](NCc1cnn(C2CCC2)c1)c1ccccc1 ZINC000922144584 1056844770 /nfs/dbraw/zinc/84/47/70/1056844770.db2.gz GSGLEPZXVTZXBM-IBGZPJMESA-N 0 3 308.429 4.133 20 30 DIEDHN CCCCOc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000066971998 1056908154 /nfs/dbraw/zinc/90/81/54/1056908154.db2.gz ALOSOZPLQLNECW-UHFFFAOYSA-N 0 3 324.424 4.036 20 30 DIEDHN C=C(Cl)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC001618293909 1056946728 /nfs/dbraw/zinc/94/67/28/1056946728.db2.gz NDOQJRFEHUVWEQ-UHFFFAOYSA-N 0 3 316.670 4.421 20 30 DIEDHN N#Cc1ccc(C2(NCc3ccc4c(c3)CCCO4)CCC2)cc1 ZINC000922224457 1056980183 /nfs/dbraw/zinc/98/01/83/1056980183.db2.gz RMZMZXIDEQOKJV-UHFFFAOYSA-N 0 3 318.420 4.052 20 30 DIEDHN CCCCc1oc2ccccc2c1CN(C)CCOCCC#N ZINC000338882026 1057065432 /nfs/dbraw/zinc/06/54/32/1057065432.db2.gz GAHJDTZHYXRNAM-UHFFFAOYSA-N 0 3 314.429 4.137 20 30 DIEDHN CO/N=C/c1cc(C2=CCN(Cc3ccccc3)CC2)ccc1F ZINC001241506775 1057076803 /nfs/dbraw/zinc/07/68/03/1057076803.db2.gz FIHXJWHMTIPEAU-HYARGMPZSA-N 0 3 324.399 4.095 20 30 DIEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017728 1057105353 /nfs/dbraw/zinc/10/53/53/1057105353.db2.gz CRVCORZUQOWKKR-QAPCUYQASA-N 0 3 324.424 4.211 20 30 DIEDHN Cc1oc2ccccc2c1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000925362022 1057105461 /nfs/dbraw/zinc/10/54/61/1057105461.db2.gz AKGDNJLTXMONES-AWEZNQCLSA-N 0 3 320.392 4.494 20 30 DIEDHN C=CC[C@@H](N[C@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018433 1057109067 /nfs/dbraw/zinc/10/90/67/1057109067.db2.gz HYAOBENPQPFSLR-QZTJIDSGSA-N 0 3 324.424 4.211 20 30 DIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CC=C)c2ccncc2)cc1 ZINC000766022850 1057122753 /nfs/dbraw/zinc/12/27/53/1057122753.db2.gz XUFNYCIFWNTFMK-UZLBHIALSA-N 0 3 306.409 4.062 20 30 DIEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000625701121 1057192980 /nfs/dbraw/zinc/19/29/80/1057192980.db2.gz OQIWFNMKAWXJPB-LBPRGKRZSA-N 0 3 304.340 4.018 20 30 DIEDHN C#Cc1cccc(-c2ncc(C3=CCN(CC)CC3)cc2C)c1 ZINC001241917743 1057210994 /nfs/dbraw/zinc/21/09/94/1057210994.db2.gz XJUACBFUVFPEIM-UHFFFAOYSA-N 0 3 302.421 4.147 20 30 DIEDHN Cc1cc(CN(C)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000172073601 1057246539 /nfs/dbraw/zinc/24/65/39/1057246539.db2.gz NCGNLZKXCDFRRR-UHFFFAOYSA-N 0 3 301.393 4.047 20 30 DIEDHN CC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000174436279 1057361955 /nfs/dbraw/zinc/36/19/55/1057361955.db2.gz RNZDWMNCXOINEP-LJQANCHMSA-N 0 3 309.413 4.005 20 30 DIEDHN CCN1CC=C(c2cnc(-c3ccccc3C#N)c(C)c2)CC1 ZINC001242715447 1057456818 /nfs/dbraw/zinc/45/68/18/1057456818.db2.gz WHHASLDUPHEPCF-UHFFFAOYSA-N 0 3 303.409 4.038 20 30 DIEDHN C[C@@]1(NCc2ccc(C3(C#N)CC3)cc2)CCOc2ccccc21 ZINC000923026768 1057522012 /nfs/dbraw/zinc/52/20/12/1057522012.db2.gz WZYRMDTVGHOIGQ-HXUWFJFHSA-N 0 3 318.420 4.029 20 30 DIEDHN C=CCC1(NCc2nnc(-c3cc(C)oc3C)o2)CCCCC1 ZINC000625937256 1057539308 /nfs/dbraw/zinc/53/93/08/1057539308.db2.gz QYILLQJEACZKMX-UHFFFAOYSA-N 0 3 315.417 4.315 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000611259287 1057587338 /nfs/dbraw/zinc/58/73/38/1057587338.db2.gz USPFKCLZUVZBSK-OAHLLOKOSA-N 0 3 305.381 4.012 20 30 DIEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393164 1057595000 /nfs/dbraw/zinc/59/50/00/1057595000.db2.gz MBYJYWMMUJYKQF-OALUTQOASA-N 0 3 322.456 4.027 20 30 DIEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393165 1057595499 /nfs/dbraw/zinc/59/54/99/1057595499.db2.gz MBYJYWMMUJYKQF-RBUKOAKNSA-N 0 3 322.456 4.027 20 30 DIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1cccnc1)C1CC1 ZINC000611395267 1057596293 /nfs/dbraw/zinc/59/62/93/1057596293.db2.gz ZNGXGZMWALMOSM-PMACEKPBSA-N 0 3 303.409 4.072 20 30 DIEDHN COc1cccc(C2(N[C@@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000611475532 1057603112 /nfs/dbraw/zinc/60/31/12/1057603112.db2.gz OUMDZLUDZCILKX-HXUWFJFHSA-N 0 3 318.420 4.223 20 30 DIEDHN CC[NH+](CC)Cc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001243335207 1057650603 /nfs/dbraw/zinc/65/06/03/1057650603.db2.gz DCYALZLTCSAHBQ-UDWIEESQSA-N 0 3 300.377 4.143 20 30 DIEDHN CC(C)[C@@H](C)N1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727685479 1057664008 /nfs/dbraw/zinc/66/40/08/1057664008.db2.gz ORWMPZUKZGBERL-CQSZACIVSA-N 0 3 324.424 4.209 20 30 DIEDHN COc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)c(C#N)c1 ZINC001243732765 1057765376 /nfs/dbraw/zinc/76/53/76/1057765376.db2.gz YJJWKMLSUPVYST-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN COc1ccc(C2=CC[C@H](C#N)CC2)cc1CN1CCCCC1 ZINC001243799364 1057781865 /nfs/dbraw/zinc/78/18/65/1057781865.db2.gz YAQMRLOAVWOJKS-INIZCTEOSA-N 0 3 310.441 4.388 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc(OCC(C)C)cc2)cc1 ZINC000733324786 1057812697 /nfs/dbraw/zinc/81/26/97/1057812697.db2.gz CIBOUPXLVZJMSC-UHFFFAOYSA-N 0 3 323.436 4.023 20 30 DIEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(SC)cc2)cc1 ZINC000733324181 1057812724 /nfs/dbraw/zinc/81/27/24/1057812724.db2.gz LSIZMMANIGVYCS-OAHLLOKOSA-N 0 3 311.450 4.271 20 30 DIEDHN C#CCOc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000733325363 1057813139 /nfs/dbraw/zinc/81/31/39/1057813139.db2.gz FHMOAHLOFMCIDA-UHFFFAOYSA-N 0 3 318.420 4.087 20 30 DIEDHN C#CCOc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000733326245 1057813747 /nfs/dbraw/zinc/81/37/47/1057813747.db2.gz RIZGTKGOFNSALN-UHFFFAOYSA-N 0 3 319.326 4.007 20 30 DIEDHN COc1ccc(-c2cc(C#N)ccc2F)c(CN2CCCCC2)c1 ZINC001244558274 1057995744 /nfs/dbraw/zinc/99/57/44/1057995744.db2.gz LZRJDJGOUXCVRJ-UHFFFAOYSA-N 0 3 324.399 4.359 20 30 DIEDHN N#Cc1c(Cl)cccc1-c1cncc(CN2CCCCC2)c1 ZINC001244734295 1058036742 /nfs/dbraw/zinc/03/67/42/1058036742.db2.gz RHZKBTFFSHZTQC-UHFFFAOYSA-N 0 3 311.816 4.260 20 30 DIEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCC1CCCCC1 ZINC001517045406 1058223507 /nfs/dbraw/zinc/22/35/07/1058223507.db2.gz BSTNGFNXEOOPIM-CYBMUJFWSA-N 0 3 307.825 4.000 20 30 DIEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC001517064381 1058226449 /nfs/dbraw/zinc/22/64/49/1058226449.db2.gz KAZGFZXATYKAGD-CRAIPNDOSA-N 0 3 323.440 4.396 20 30 DIEDHN CC[C@H](CC1CCCC1)C(=O)C(C#N)c1ncc(F)cc1F ZINC001518066606 1058310629 /nfs/dbraw/zinc/31/06/29/1058310629.db2.gz SQYNNPCIHCQOES-OCCSQVGLSA-N 0 3 306.356 4.143 20 30 DIEDHN N#CC(C(=O)c1csc(C2CCCCC2)c1)c1ccncn1 ZINC001518076046 1058312879 /nfs/dbraw/zinc/31/28/79/1058312879.db2.gz KIBUEGYNTWIQKO-AWEZNQCLSA-N 0 3 311.410 4.076 20 30 DIEDHN CCCCCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001530474017 1059054171 /nfs/dbraw/zinc/05/41/71/1059054171.db2.gz ZKCCRNMYWXYNOD-FQEVSTJZSA-N 0 3 316.489 4.128 20 30 DIEDHN C=CCCCCCN(C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001559553485 1059362859 /nfs/dbraw/zinc/36/28/59/1059362859.db2.gz DXMSMRSUTLJCAX-UHFFFAOYSA-N 0 3 320.521 4.234 20 30 DIEDHN CCCCCCCC[C@H](C)CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC001531655709 1059383967 /nfs/dbraw/zinc/38/39/67/1059383967.db2.gz GODICBGQTZEWED-FXAWDEMLSA-N 0 3 322.537 4.364 20 30 DIEDHN CCCCCCCC[C@@H](C)CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC001531655712 1059384068 /nfs/dbraw/zinc/38/40/68/1059384068.db2.gz GODICBGQTZEWED-YLJYHZDGSA-N 0 3 322.537 4.364 20 30 DIEDHN CCCCN(CCCC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC001559572403 1059405899 /nfs/dbraw/zinc/40/58/99/1059405899.db2.gz YBKSZXIEFMRQDZ-UHFFFAOYSA-N 0 3 321.852 4.052 20 30 DIEDHN CCCCC[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559650508 1059479331 /nfs/dbraw/zinc/47/93/31/1059479331.db2.gz GYGOEXUTZMTSKN-INIZCTEOSA-N 0 3 301.390 4.011 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H](CCCc3ccccc3)C2)o1 ZINC001559662095 1059493318 /nfs/dbraw/zinc/49/33/18/1059493318.db2.gz PFIDZLQXSWBICB-SFHVURJKSA-N 0 3 308.425 4.386 20 30 DIEDHN CCCCCCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001559781706 1059615366 /nfs/dbraw/zinc/61/53/66/1059615366.db2.gz OPRQTMDKWCXELR-KRWDZBQOSA-N 0 3 304.478 4.108 20 30 DIEDHN CCC1(CC)[C@H](NCc2ccc(Cl)cc2C#N)[C@H](C)[C@@H]1OC ZINC001559811015 1059646790 /nfs/dbraw/zinc/64/67/90/1059646790.db2.gz BRIPWDFODXFEGL-VUCTXSBTSA-N 0 3 320.864 4.141 20 30 DIEDHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879679 1059701742 /nfs/dbraw/zinc/70/17/42/1059701742.db2.gz OTARGGYTCHLLAH-XJKSGUPXSA-N 0 3 315.417 4.113 20 30 DIEDHN C=CC[C@H]1CCCN(Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC001559983475 1059788337 /nfs/dbraw/zinc/78/83/37/1059788337.db2.gz SDSGORAZZBYMTQ-HNNXBMFYSA-N 0 3 312.413 4.138 20 30 DIEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983058 1059788706 /nfs/dbraw/zinc/78/87/06/1059788706.db2.gz FPXCQRXIJFNHTN-DLBZAZTESA-N 0 3 322.452 4.455 20 30 DIEDHN FC(F)(F)[C@@H]1CC=CC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC001560090926 1059900358 /nfs/dbraw/zinc/90/03/58/1059900358.db2.gz UFHDDKFPBHXKMG-HUUCEWRRSA-N 0 3 313.750 4.178 20 30 DIEDHN C=C(C)CNC1(c2cc(Cl)cc(Br)c2)CC1 ZINC001560110162 1059917261 /nfs/dbraw/zinc/91/72/61/1059917261.db2.gz CMOUKXRADFVVFK-UHFFFAOYSA-N 0 3 300.627 4.257 20 30 DIEDHN Cc1ccc(CN2CCC(c3cccc(F)c3)CC2)cc1C#N ZINC001560119276 1059922860 /nfs/dbraw/zinc/92/28/60/1059922860.db2.gz UUYKYLNXWYTZRW-UHFFFAOYSA-N 0 3 308.400 4.385 20 30 DIEDHN N#Cc1ccc(CN2CCCC[C@@H]2CC2(O)CCCCC2)s1 ZINC001560135662 1059941554 /nfs/dbraw/zinc/94/15/54/1059941554.db2.gz XWBNKWVBJHVQKC-OAHLLOKOSA-N 0 3 318.486 4.060 20 30 DIEDHN C#CCN(Cc1ccc2onc(C)c2c1)[C@@H]1CCc2ccccc21 ZINC001248706427 1059943104 /nfs/dbraw/zinc/94/31/04/1059943104.db2.gz TYELKQGJBYLSON-HXUWFJFHSA-N 0 3 316.404 4.259 20 30 DIEDHN CC(C)(C)N(Cc1cnn2ccc(C#N)cc12)Cc1ccccc1 ZINC001249082059 1060148824 /nfs/dbraw/zinc/14/88/24/1060148824.db2.gz FZVCMXVGKVHBTQ-UHFFFAOYSA-N 0 3 318.424 4.007 20 30 DIEDHN C=CCC[C@@H](NCc1cc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC001560405608 1060190293 /nfs/dbraw/zinc/19/02/93/1060190293.db2.gz IXJPQIVXNQZXTF-GOSISDBHSA-N 0 3 318.424 4.269 20 30 DIEDHN C=CCCCCNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC001560448672 1060238195 /nfs/dbraw/zinc/23/81/95/1060238195.db2.gz LVVMFICIZCARRY-UHFFFAOYSA-N 0 3 317.864 4.339 20 30 DIEDHN N#Cc1ccc2cc(CN3CC[C@H](c4ccccc4F)C3)[nH]c2c1 ZINC001249428831 1060247875 /nfs/dbraw/zinc/24/78/75/1060247875.db2.gz CWOMWGGQUMOSOD-INIZCTEOSA-N 0 3 319.383 4.168 20 30 DIEDHN CN(C)c1ccc(-c2ccc(CN3CCC(C#N)CC3)cc2)cc1 ZINC001249441030 1060252984 /nfs/dbraw/zinc/25/29/84/1060252984.db2.gz LJBSBAWVLNULFN-UHFFFAOYSA-N 0 3 319.452 4.155 20 30 DIEDHN C=C(C)CNCc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001560471425 1060260694 /nfs/dbraw/zinc/26/06/94/1060260694.db2.gz UFFNHTZSBKWZAF-UHFFFAOYSA-N 0 3 317.864 4.489 20 30 DIEDHN N#C[C@@H]1CCCN(Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249503980 1060265180 /nfs/dbraw/zinc/26/51/80/1060265180.db2.gz OKSVAGVEAVZKJL-MRXNPFEDSA-N 0 3 322.408 4.310 20 30 DIEDHN C=CCN(CC=C)Cc1ccc2occ(Br)c2c1 ZINC001249497364 1060265351 /nfs/dbraw/zinc/26/53/51/1060265351.db2.gz OQLFIAKXAOCTAU-UHFFFAOYSA-N 0 3 306.203 4.369 20 30 DIEDHN N#C[C@H]1CCCN(Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249503979 1060267629 /nfs/dbraw/zinc/26/76/29/1060267629.db2.gz OKSVAGVEAVZKJL-INIZCTEOSA-N 0 3 322.408 4.310 20 30 DIEDHN CCO[C@H]1C[C@@H](N(C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668214 1060495953 /nfs/dbraw/zinc/49/59/53/1060495953.db2.gz DQOYXEYXXBSFNY-SJORKVTESA-N 0 3 318.486 4.179 20 30 DIEDHN C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccccc1Br ZINC001560671481 1060500890 /nfs/dbraw/zinc/50/08/90/1060500890.db2.gz GFRHPIKWEUTYQW-STQMWFEESA-N 0 3 309.251 4.382 20 30 DIEDHN C=CCCCCCN(C)Cc1cn(-c2ccccc2F)nc1C ZINC001560684944 1060532203 /nfs/dbraw/zinc/53/22/03/1060532203.db2.gz GDJUHFMEUYWDOB-UHFFFAOYSA-N 0 3 315.436 4.498 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@@H](C)[C@H](C)C2)cc1OC ZINC001560687248 1060532314 /nfs/dbraw/zinc/53/23/14/1060532314.db2.gz IXOTXVAIRQKHBK-CHWSQXEVSA-N 0 3 309.837 4.001 20 30 DIEDHN C#C[C@H](C)N(C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001560792998 1060651508 /nfs/dbraw/zinc/65/15/08/1060651508.db2.gz BOYKILTYMANAAU-YFWYWMRJSA-N 0 3 305.421 4.232 20 30 DIEDHN N#CC1(c2ccc(CN3CC(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001560837450 1060695818 /nfs/dbraw/zinc/69/58/18/1060695818.db2.gz RQJUNGUAUGFUEU-UHFFFAOYSA-N 0 3 322.839 4.495 20 30 DIEDHN C#C[C@H](NCCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC001560865010 1060724397 /nfs/dbraw/zinc/72/43/97/1060724397.db2.gz NVPFWTDUJKHBDR-KRWDZBQOSA-N 0 3 305.755 4.125 20 30 DIEDHN CC(C)[C@H]1N(Cc2ccc(C#N)c(F)c2)CC12CCCCC2 ZINC001560878365 1060739218 /nfs/dbraw/zinc/73/92/18/1060739218.db2.gz UAQWELWBTRXPEZ-GOSISDBHSA-N 0 3 300.421 4.488 20 30 DIEDHN C#CC[C@H]1CCCN(Cc2ccc(C)c(Br)c2C)C1 ZINC001560901202 1060764510 /nfs/dbraw/zinc/76/45/10/1060764510.db2.gz NPIISTVPMJUIPJ-HNNXBMFYSA-N 0 3 320.274 4.301 20 30 DIEDHN CC(C)(C#N)c1ccc(CN2CC(C)(c3ccccc3)C2)cc1 ZINC001560942435 1060808375 /nfs/dbraw/zinc/80/83/75/1060808375.db2.gz PGQUMKSOFIVPHF-UHFFFAOYSA-N 0 3 304.437 4.261 20 30 DIEDHN C#CCN(C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C ZINC001561032587 1060886977 /nfs/dbraw/zinc/88/69/77/1060886977.db2.gz JKDIMDVBBSRAAD-MRXNPFEDSA-N 0 3 324.509 4.050 20 30 DIEDHN CC[C@@H](C)CN(CC)Cc1cc(C#N)ccc1Br ZINC001473204770 1060969645 /nfs/dbraw/zinc/96/96/45/1060969645.db2.gz ZJGWXOUSIQLMED-GFCCVEGCSA-N 0 3 309.251 4.189 20 30 DIEDHN CCCCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259691 1061034490 /nfs/dbraw/zinc/03/44/90/1061034490.db2.gz LKGYICDZEGTEHV-HOTGVXAUSA-N 0 3 306.475 4.035 20 30 DIEDHN C#CCN(Cc1c(OC(C)C)ccc2ccccc21)CC1CC1 ZINC001473286586 1061058055 /nfs/dbraw/zinc/05/80/55/1061058055.db2.gz FIBVYEZUHAECKS-UHFFFAOYSA-N 0 3 307.437 4.472 20 30 DIEDHN N#CCC1(CN2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC001473290206 1061062475 /nfs/dbraw/zinc/06/24/75/1061062475.db2.gz XIFCADPLZGYWAR-HXUWFJFHSA-N 0 3 302.421 4.480 20 30 DIEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001473316772 1061081149 /nfs/dbraw/zinc/08/11/49/1061081149.db2.gz XAMKXBWBACDGMP-NHCYSSNCSA-N 0 3 314.763 4.284 20 30 DIEDHN CCCCCCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC001473444825 1061163368 /nfs/dbraw/zinc/16/33/68/1061163368.db2.gz OWSMNXVYKXTSNN-MRXNPFEDSA-N 0 3 308.441 4.424 20 30 DIEDHN Cc1cc(CN2CC[C@@H](c3c(F)cccc3F)C2)ccc1C#N ZINC001462576736 1061273902 /nfs/dbraw/zinc/27/39/02/1061273902.db2.gz FWJJBCGDIVKMDI-MRXNPFEDSA-N 0 3 312.363 4.134 20 30 DIEDHN COc1ccc(C#N)cc1CN1CCC(C2CCCCC2)CC1 ZINC001473618843 1061294299 /nfs/dbraw/zinc/29/42/99/1061294299.db2.gz VRTLHCISFNKTSH-UHFFFAOYSA-N 0 3 312.457 4.359 20 30 DIEDHN C#CCCCCCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC001473657971 1061322283 /nfs/dbraw/zinc/32/22/83/1061322283.db2.gz CPXSYXBIQNNLDT-OAHLLOKOSA-N 0 3 314.256 4.200 20 30 DIEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC001473671331 1061334336 /nfs/dbraw/zinc/33/43/36/1061334336.db2.gz XQIPHCTUWPZIEE-QGZVFWFLSA-N 0 3 312.363 4.216 20 30 DIEDHN C[C@H]1c2sccc2CCN1CCCOc1cccc(C#N)c1 ZINC001473763392 1061398239 /nfs/dbraw/zinc/39/82/39/1061398239.db2.gz YXFGXCBLHUYPFB-AWEZNQCLSA-N 0 3 312.438 4.008 20 30 DIEDHN COc1ccc([C@@H](C)NCc2cc(Cl)cc(C#N)c2)cc1C ZINC001473843311 1061432456 /nfs/dbraw/zinc/43/24/56/1061432456.db2.gz WCBUBSQYBFEGCE-CYBMUJFWSA-N 0 3 314.816 4.380 20 30 DIEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001473861536 1061436525 /nfs/dbraw/zinc/43/65/25/1061436525.db2.gz AXMVMUVTYLUEDL-LBPRGKRZSA-N 0 3 312.816 4.094 20 30 DIEDHN CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCc2ccccc2C1 ZINC001473881731 1061448337 /nfs/dbraw/zinc/44/83/37/1061448337.db2.gz WNKVJPYULJSQSH-GOSISDBHSA-N 0 3 310.828 4.201 20 30 DIEDHN N#Cc1ccc(F)cc1NC[C@@H](c1cccs1)N1CCCC1 ZINC001458045274 1061545700 /nfs/dbraw/zinc/54/57/00/1061545700.db2.gz JRXCBBFRHWLZQW-INIZCTEOSA-N 0 3 315.417 4.008 20 30 DIEDHN CCCCCCCC[C@H](O)CN1CCc2ccc(C#N)cc2C1 ZINC001252123320 1061582883 /nfs/dbraw/zinc/58/28/83/1061582883.db2.gz FYMJUCNNKZXMLO-FQEVSTJZSA-N 0 3 314.473 4.028 20 30 DIEDHN CCCCCCCC[C@@H](O)CN[C@H](c1cccnc1F)C1CC1 ZINC001252139566 1061598544 /nfs/dbraw/zinc/59/85/44/1061598544.db2.gz PMEYUTDNYAUZSP-AEFFLSMTSA-N 0 3 322.468 4.373 20 30 DIEDHN C=CCC[C@@H](O)CN1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001252599941 1061672646 /nfs/dbraw/zinc/67/26/46/1061672646.db2.gz QIMDJALBRQWCTG-CHWSQXEVSA-N 0 3 314.256 4.110 20 30 DIEDHN C=CCC[C@H](O)CN1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001252599942 1061673069 /nfs/dbraw/zinc/67/30/69/1061673069.db2.gz QIMDJALBRQWCTG-OLZOCXBDSA-N 0 3 314.256 4.110 20 30 DIEDHN C=CC[C@H]1CCCC[C@H]1NCc1nccc(C)c1Br ZINC001474207952 1061762876 /nfs/dbraw/zinc/76/28/76/1061762876.db2.gz MELCNXNQWAWSNE-UONOGXRCSA-N 0 3 323.278 4.377 20 30 DIEDHN CCCCCCCCCC[C@H](O)CNCc1cccc(C)n1 ZINC001252979396 1061769681 /nfs/dbraw/zinc/76/96/81/1061769681.db2.gz BYPGMWKRCHLKGH-IBGZPJMESA-N 0 3 306.494 4.371 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1ccc(C#N)o1 ZINC001252988127 1061778684 /nfs/dbraw/zinc/77/86/84/1061778684.db2.gz BDACJVHQAIMXRZ-MRXNPFEDSA-N 0 3 306.450 4.133 20 30 DIEDHN CCCCCCCCCC[C@@H](O)CNCc1cncn1C(C)C ZINC001252989108 1061780868 /nfs/dbraw/zinc/78/08/68/1061780868.db2.gz MYSODCUCWLUHRC-LJQANCHMSA-N 0 3 323.525 4.445 20 30 DIEDHN C#CC1(NCc2ccc(OC)c(OCCCCC)c2)CCCC1 ZINC001474246791 1061811772 /nfs/dbraw/zinc/81/17/72/1061811772.db2.gz GUUXFCTXNKXUNQ-UHFFFAOYSA-N 0 3 315.457 4.300 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@H]1CCOc2ccc(F)cc21 ZINC001253247471 1061851551 /nfs/dbraw/zinc/85/15/51/1061851551.db2.gz ZNPYDQFNHCKRSF-AEFFLSMTSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@@H](O)CN[C@@H]1CCOc2cc(F)ccc21 ZINC001253255274 1061856923 /nfs/dbraw/zinc/85/69/23/1061856923.db2.gz HUQRSGZWQOISLG-SJLPKXTDSA-N 0 3 321.436 4.126 20 30 DIEDHN C=CCCCCCC[C@@H](O)CNCc1ccc(C(F)(F)F)o1 ZINC001253257073 1061861573 /nfs/dbraw/zinc/86/15/73/1061861573.db2.gz LTVJECQPUXWWSG-CYBMUJFWSA-N 0 3 319.367 4.276 20 30 DIEDHN C#CCN(CCc1cccc(Cl)c1)Cc1ccc(F)cc1 ZINC001474338808 1061934803 /nfs/dbraw/zinc/93/48/03/1061934803.db2.gz FBWLTFQWJDBJCV-UHFFFAOYSA-N 0 3 301.792 4.157 20 30 DIEDHN CCCN(Cc1cc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC001474374594 1062018465 /nfs/dbraw/zinc/01/84/65/1062018465.db2.gz XDQQBBLUIDGWEG-UHFFFAOYSA-N 0 3 317.436 4.462 20 30 DIEDHN C#CCN(C[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC001459345372 1062100329 /nfs/dbraw/zinc/10/03/29/1062100329.db2.gz OGYCMZVZIFXYKX-TZIWHRDSSA-N 0 3 323.480 4.349 20 30 DIEDHN CCC[C@@H](CCc1ccccc1)NC(=N)c1ccc(Cl)cn1 ZINC001254486308 1062128494 /nfs/dbraw/zinc/12/84/94/1062128494.db2.gz YJGCFOHQXVHKAN-INIZCTEOSA-N 0 3 315.848 4.242 20 30 DIEDHN COc1cccc([C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc2)c1 ZINC001254646065 1062215110 /nfs/dbraw/zinc/21/51/10/1062215110.db2.gz JVRYIHAIBQPLPC-MOXGXCLJSA-N 0 3 306.409 4.066 20 30 DIEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668622 1062221836 /nfs/dbraw/zinc/22/18/36/1062221836.db2.gz GXCMQHBRTASVPF-KWCYVHTRSA-N 0 3 309.240 4.475 20 30 DIEDHN CCC(CC)N(Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)C ZINC001459603377 1062238635 /nfs/dbraw/zinc/23/86/35/1062238635.db2.gz MTPNSPJOVJIQOD-UHFFFAOYSA-N 0 3 303.406 4.113 20 30 DIEDHN Cc1ccc(CN2CCSC3(CCCCC3)C2)cc1C#N ZINC001459638363 1062272288 /nfs/dbraw/zinc/27/22/88/1062272288.db2.gz VTDUMJXBXMYSNS-UHFFFAOYSA-N 0 3 300.471 4.118 20 30 DIEDHN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 ZINC001459673573 1062294270 /nfs/dbraw/zinc/29/42/70/1062294270.db2.gz VMCBACXNKMUBTH-DNVCBOLYSA-N 0 3 308.400 4.323 20 30 DIEDHN C=C[C@@H](COC)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018806 1062301568 /nfs/dbraw/zinc/30/15/68/1062301568.db2.gz KXOHIINOJAHXRR-APWZRJJASA-N 0 3 311.425 4.117 20 30 DIEDHN C=CCCC1(CNCc2ccsc2C(=O)OC)CCCC1 ZINC001474624904 1062347314 /nfs/dbraw/zinc/34/73/14/1062347314.db2.gz GOZOVBQCQHMIFR-UHFFFAOYSA-N 0 3 307.459 4.151 20 30 DIEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C12CCC2 ZINC001474631670 1062352763 /nfs/dbraw/zinc/35/27/63/1062352763.db2.gz MZRVOYKHDLTYOD-HZPDHXFCSA-N 0 3 304.478 4.176 20 30 DIEDHN C=CCOCCN1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001459788476 1062399926 /nfs/dbraw/zinc/39/99/26/1062399926.db2.gz UADWVFXZFATSKU-GCJKJVERSA-N 0 3 321.464 4.268 20 30 DIEDHN C#CCCOc1ccc(CNCc2cccc(C(F)F)c2)cc1 ZINC001255361165 1062414241 /nfs/dbraw/zinc/41/42/41/1062414241.db2.gz SPFABRAXOHWTBA-UHFFFAOYSA-N 0 3 315.363 4.316 20 30 DIEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839341 1062438688 /nfs/dbraw/zinc/43/86/88/1062438688.db2.gz HDSCCBZQVLRIRN-JKSUJKDBSA-N 0 3 303.446 4.183 20 30 DIEDHN N#CCC1(CN[C@@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC001459882134 1062468011 /nfs/dbraw/zinc/46/80/11/1062468011.db2.gz GWTRSTQVGXMUKW-IBGZPJMESA-N 0 3 308.400 4.393 20 30 DIEDHN C=C(C)[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(F)c(F)c1 ZINC001459980372 1062541869 /nfs/dbraw/zinc/54/18/69/1062541869.db2.gz OBDNFNGFMFBSBY-GLFJAGTFSA-N 0 3 307.384 4.129 20 30 DIEDHN Cc1ccc(SC[C@@H](C)NCc2csc(C#N)c2)cc1 ZINC001255755606 1062575741 /nfs/dbraw/zinc/57/57/41/1062575741.db2.gz BQKYTCNFDXGBJC-CYBMUJFWSA-N 0 3 302.468 4.199 20 30 DIEDHN COC[C@@H](NCCC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC001460024344 1062578784 /nfs/dbraw/zinc/57/87/84/1062578784.db2.gz IQAOPUTXCVOCDD-QGZVFWFLSA-N 0 3 320.864 4.481 20 30 DIEDHN C=CC[C@H]1N(Cc2ccc(F)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460028494 1062583944 /nfs/dbraw/zinc/58/39/44/1062583944.db2.gz JEASLVFPQKFQFU-MRXNPFEDSA-N 0 3 306.381 4.301 20 30 DIEDHN CCCCO[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081396 1062622646 /nfs/dbraw/zinc/62/26/46/1062622646.db2.gz YFSZRIWDNSOCDG-MSOLQXFVSA-N 0 3 319.876 4.265 20 30 DIEDHN C=C(C)CN(CCCCOC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC001460089511 1062628849 /nfs/dbraw/zinc/62/88/49/1062628849.db2.gz ICAALZYOVKXQBJ-UHFFFAOYSA-N 0 3 321.509 4.437 20 30 DIEDHN CCCCCCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001460148651 1062666500 /nfs/dbraw/zinc/66/65/00/1062666500.db2.gz PNQGVXAVGNBXHJ-CALCHBBNSA-N 0 3 310.526 4.314 20 30 DIEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC1CCCCCC1 ZINC001460275932 1062748548 /nfs/dbraw/zinc/74/85/48/1062748548.db2.gz FFLANDYHAQDBIS-MRXNPFEDSA-N 0 3 300.446 4.290 20 30 DIEDHN Cc1ccc(CN(Cc2c(C)cc(C#N)cc2C)CC2CC2)cn1 ZINC001460292322 1062766577 /nfs/dbraw/zinc/76/65/77/1062766577.db2.gz PHEGGBAAAOLDNO-UHFFFAOYSA-N 0 3 319.452 4.291 20 30 DIEDHN CCCCN(CCC#N)C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256312252 1062774773 /nfs/dbraw/zinc/77/47/73/1062774773.db2.gz HRAQBXAPINVKCB-UHFFFAOYSA-N 0 3 319.880 4.325 20 30 DIEDHN C[C@@H](Cc1ccccc1Br)NC1(CC#N)CCCC1 ZINC001256838784 1063010761 /nfs/dbraw/zinc/01/07/61/1063010761.db2.gz SBVVNRYMHNROQC-ZDUSSCGKSA-N 0 3 321.262 4.196 20 30 DIEDHN C[C@H](Cc1ccccc1Br)N1CCC(CC#N)CC1 ZINC001256845464 1063013958 /nfs/dbraw/zinc/01/39/58/1063013958.db2.gz ZGVXOMUVRFKZQT-CYBMUJFWSA-N 0 3 321.262 4.006 20 30 DIEDHN CC(C)C[C@@H](N)c1nc2ccccc2n1C1CCC(C#N)CC1 ZINC001256959731 1063058559 /nfs/dbraw/zinc/05/85/59/1063058559.db2.gz RMVUNLOKXPJTQK-UYSNPLJNSA-N 0 3 310.445 4.337 20 30 DIEDHN Cc1cc(CN(Cc2ccccc2)C2CCC(C#N)CC2)on1 ZINC001256973284 1063063798 /nfs/dbraw/zinc/06/37/98/1063063798.db2.gz NPGLIONXNASAMT-UHFFFAOYSA-N 0 3 309.413 4.068 20 30 DIEDHN C=CCCCN(CC)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001460897411 1063122844 /nfs/dbraw/zinc/12/28/44/1063122844.db2.gz CTWSREWXZUKVQZ-OAHLLOKOSA-N 0 3 322.880 4.148 20 30 DIEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275364 1063176174 /nfs/dbraw/zinc/17/61/74/1063176174.db2.gz RVOLFINNHDZXQJ-DNVCBOLYSA-N 0 3 310.441 4.451 20 30 DIEDHN CCCCCCCCCC[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC001257550264 1063332748 /nfs/dbraw/zinc/33/27/48/1063332748.db2.gz LRHWGKRPIUATCM-WOJBJXKFSA-N 0 3 324.553 4.312 20 30 DIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1 ZINC001473106187 1063405619 /nfs/dbraw/zinc/40/56/19/1063405619.db2.gz LGBBYLROYSMCEL-UHFFFAOYSA-N 0 3 300.352 4.249 20 30 DIEDHN C=C1C[C@@H]2CC(N[C@H](c3ccccc3)c3cccnn3)C[C@H](C1)C2 ZINC001257890365 1063427911 /nfs/dbraw/zinc/42/79/11/1063427911.db2.gz VTFAQDNTNAUEEW-SAQKXASNSA-N 0 3 319.452 4.291 20 30 DIEDHN C#CCN(Cc1cc(Br)cs1)C1CCCCC1 ZINC001473137357 1063443714 /nfs/dbraw/zinc/44/37/14/1063443714.db2.gz PDCJVFQXGWVJFT-UHFFFAOYSA-N 0 3 312.276 4.279 20 30 DIEDHN C=CCCCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001473156687 1063458710 /nfs/dbraw/zinc/45/87/10/1063458710.db2.gz JJYIWUOXBJLZKJ-GOSISDBHSA-N 0 3 316.489 4.120 20 30 DIEDHN C#Cc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC001461384185 1063465341 /nfs/dbraw/zinc/46/53/41/1063465341.db2.gz AZXYFTDUWHIENN-SFHVURJKSA-N 0 3 311.812 4.325 20 30 DIEDHN CCCCCCC[C@@H](C)NCc1cc(OC2CCC2)ncn1 ZINC001258043118 1063474573 /nfs/dbraw/zinc/47/45/73/1063474573.db2.gz JFRLPOASVGPLTM-OAHLLOKOSA-N 0 3 305.466 4.247 20 30 DIEDHN CCCCCCCCC[C@H](C)n1cnc(CN)c1C(=O)OCC ZINC001258230540 1063572430 /nfs/dbraw/zinc/57/24/30/1063572430.db2.gz XTSVYEUHCPECCS-HNNXBMFYSA-N 0 3 323.481 4.220 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(OCCC(C)C)cc2)c1 ZINC001461579675 1063591353 /nfs/dbraw/zinc/59/13/53/1063591353.db2.gz ILCZZYGWFJESDR-UHFFFAOYSA-N 0 3 307.437 4.383 20 30 DIEDHN C#Cc1cccc(CNCc2ccc(C(F)(F)F)c(C)c2)c1 ZINC001461584406 1063592899 /nfs/dbraw/zinc/59/28/99/1063592899.db2.gz YDXGMFVWQZFCEJ-UHFFFAOYSA-N 0 3 303.327 4.285 20 30 DIEDHN C=CC(C)(C)CCCNCc1nc(C)c(Br)s1 ZINC001461733329 1063686219 /nfs/dbraw/zinc/68/62/19/1063686219.db2.gz IYRWHHYWTDTTHH-UHFFFAOYSA-N 0 3 317.296 4.296 20 30 DIEDHN CCCCCCC[C@H](CC(C)C)n1cc(CN)c(C)nc1=N ZINC001258714890 1063772331 /nfs/dbraw/zinc/77/23/31/1063772331.db2.gz WYMLTQIWTVKDSC-QGZVFWFLSA-N 0 3 306.498 4.077 20 30 DIEDHN C#CCN(Cc1cc(Cl)cc2c1OCC2)C1CCCCC1 ZINC001461900229 1063786649 /nfs/dbraw/zinc/78/66/49/1063786649.db2.gz OIQUIBUCSPKXAA-UHFFFAOYSA-N 0 3 303.833 4.043 20 30 DIEDHN C=CCO[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001461994461 1063866385 /nfs/dbraw/zinc/86/63/85/1063866385.db2.gz CBDHPDRACJJNLJ-HXUWFJFHSA-N 0 3 323.436 4.139 20 30 DIEDHN C=C(C)CN(CC)Cc1c2cc(C)ccc2[nH]c1C(=O)OCC ZINC001462015881 1063877471 /nfs/dbraw/zinc/87/74/71/1063877471.db2.gz BCGMBYRPHMAHBF-UHFFFAOYSA-N 0 3 314.429 4.051 20 30 DIEDHN CC#CCCNCc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001462024614 1063887250 /nfs/dbraw/zinc/88/72/50/1063887250.db2.gz VZYUJZMCBHMKQC-UHFFFAOYSA-N 0 3 318.779 4.169 20 30 DIEDHN N#CC(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc2ccccc2n1 ZINC001263285995 1063978862 /nfs/dbraw/zinc/97/88/62/1063978862.db2.gz SICMXOVGMYZSCD-MWDXBVQZSA-N 0 3 304.393 4.237 20 30 DIEDHN N#CC(C(=O)CC(C1CCC1)C1CCC1)c1cccc(F)n1 ZINC001263385810 1063985315 /nfs/dbraw/zinc/98/53/15/1063985315.db2.gz BXGLOQGRWQCNJC-OAHLLOKOSA-N 0 3 300.377 4.003 20 30 DIEDHN CCCC[C@H](CC)CN1CCC12CN(c1ccccc1C#N)C2 ZINC001279746366 1064367253 /nfs/dbraw/zinc/36/72/53/1064367253.db2.gz VDLODMCWQFPFSW-KRWDZBQOSA-N 0 3 311.473 4.039 20 30 DIEDHN C=CCN(C)CCN(CC)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001297372839 1064977334 /nfs/dbraw/zinc/97/73/34/1064977334.db2.gz HVJGAHJLXQFZBW-UHFFFAOYSA-N 0 3 322.537 4.195 20 30 DIEDHN C=CC(C)(C)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001301364160 1065061636 /nfs/dbraw/zinc/06/16/36/1065061636.db2.gz ICSMXOIYOMPNBL-UHFFFAOYSA-N 0 3 314.473 4.005 20 30 DIEDHN C=CCCC(C)(C)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001302192340 1065080756 /nfs/dbraw/zinc/08/07/56/1065080756.db2.gz LTNBYTXXZAWNHK-UHFFFAOYSA-N 0 3 313.445 4.013 20 30 DIEDHN CCCCCCCCC/C=C/C(=O)N[C@H]1CN(C)CC1(C)C ZINC001303988333 1065126330 /nfs/dbraw/zinc/12/63/30/1065126330.db2.gz HQGIXGRHDSTILZ-CLVCIHKQSA-N 0 3 308.510 4.140 20 30 DIEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC001307431037 1065391425 /nfs/dbraw/zinc/39/14/25/1065391425.db2.gz DCGKSWOMTMPWFG-AWEZNQCLSA-N 0 3 316.857 4.480 20 30 DIEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001307465684 1065416710 /nfs/dbraw/zinc/41/67/10/1065416710.db2.gz UPLBVHNJZFWRNY-HXUWFJFHSA-N 0 3 308.400 4.251 20 30 DIEDHN Cc1ccc([C@H]2CCCCCN2CCOc2ccccc2C#N)o1 ZINC001307488124 1065432976 /nfs/dbraw/zinc/43/29/76/1065432976.db2.gz RBZWSROHWYPQQZ-GOSISDBHSA-N 0 3 324.424 4.456 20 30 DIEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503458 1065446481 /nfs/dbraw/zinc/44/64/81/1065446481.db2.gz ORCPHFZQEDPFND-IRXDYDNUSA-N 0 3 318.486 4.179 20 30 DIEDHN C=C(CC)CN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001307983697 1065712362 /nfs/dbraw/zinc/71/23/62/1065712362.db2.gz UGVIVAHJSZGSBO-OAHLLOKOSA-N 0 3 301.261 4.152 20 30 DIEDHN C[C@H](CCN(C)Cc1cc(C#N)cs1)OCc1ccccc1 ZINC001308112957 1065767207 /nfs/dbraw/zinc/76/72/07/1065767207.db2.gz KVBDCVWUYIRECY-OAHLLOKOSA-N 0 3 314.454 4.047 20 30 DIEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001308136306 1065776266 /nfs/dbraw/zinc/77/62/66/1065776266.db2.gz KNEVZPKDQPQXMO-GOSISDBHSA-N 0 3 314.473 4.353 20 30 DIEDHN C#C[C@H](NCc1sc2c(cccc2Cl)c1C)[C@H]1CCCO1 ZINC001308378399 1065950589 /nfs/dbraw/zinc/95/05/89/1065950589.db2.gz XFKJEGUMRVVSAG-LSDHHAIUSA-N 0 3 319.857 4.134 20 30 DIEDHN C=CCCSCCNCc1cc(Cl)cc(Cl)c1OC ZINC001308459571 1066001362 /nfs/dbraw/zinc/00/13/62/1066001362.db2.gz RNBMZSPSDNFVRE-UHFFFAOYSA-N 0 3 320.285 4.401 20 30 DIEDHN CCOc1cc(F)cc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC001308462783 1066004799 /nfs/dbraw/zinc/00/47/99/1066004799.db2.gz NXRPRXMHNJQPHA-UHFFFAOYSA-N 0 3 312.388 4.121 20 30 DIEDHN C=CCOc1c(Cl)cc(CN2C[C@H](C)C[C@H]2C)cc1OC ZINC001308569753 1066078325 /nfs/dbraw/zinc/07/83/25/1066078325.db2.gz JTJMHDDXZSYFBE-CHWSQXEVSA-N 0 3 309.837 4.144 20 30 DIEDHN C=CCN(Cc1ccc(/C=C/C(=O)OC)o1)CC1CCCCC1 ZINC001308633903 1066128728 /nfs/dbraw/zinc/12/87/28/1066128728.db2.gz GGHWAYQDZKTLLN-VAWYXSNFSA-N 0 3 317.429 4.034 20 30 DIEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC001308698915 1066187154 /nfs/dbraw/zinc/18/71/54/1066187154.db2.gz XVVZBPBABANYLU-HNNXBMFYSA-N 0 3 322.305 4.133 20 30 DIEDHN C#C[C@H](N[C@@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786212 1066261856 /nfs/dbraw/zinc/26/18/56/1066261856.db2.gz KSVYQSUWJSVVCU-DJJJIMSYSA-N 0 3 317.354 4.389 20 30 DIEDHN C#C[C@H](N[C@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786214 1066262037 /nfs/dbraw/zinc/26/20/37/1066262037.db2.gz KSVYQSUWJSVVCU-YJYMSZOUSA-N 0 3 317.354 4.389 20 30 DIEDHN C#CC[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001308831211 1066306639 /nfs/dbraw/zinc/30/66/39/1066306639.db2.gz DUVLYEUZOFJKLS-AWEZNQCLSA-N 0 3 324.390 4.007 20 30 DIEDHN Cc1cc(Br)c(CN[C@@H](C)CC(C)(C)C#N)s1 ZINC001308869092 1066348618 /nfs/dbraw/zinc/34/86/18/1066348618.db2.gz HQQBODITMGWIOK-VIFPVBQESA-N 0 3 315.280 4.237 20 30 DIEDHN