smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4[C@H](C)[C@H]4[C@@H](C2)N(C)CC[C@]314 ZINC000013586852 210070829 /nfs/dbraw/zinc/07/08/29/210070829.db2.gz CQDVKAKVXRIKJR-VRHYFIDDSA-N 0 3 386.495 4.542 1 0 GJAFHN O=c1ccc(-c2ccc(Cl)cc2)cn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013436712 210060821 /nfs/dbraw/zinc/06/08/21/210060821.db2.gz SVPZCPQRIOAHRZ-JOCHJYFZSA-N 0 3 378.903 4.854 1 0 GJAFHN O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1cc(F)c(F)c(F)c1 ZINC000036351848 205012203 /nfs/dbraw/zinc/01/22/03/205012203.db2.gz MNDHOGDVQLBGFO-UHFFFAOYSA-N 0 3 398.428 4.652 1 0 GJAFHN O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21)C1CCCCC1 ZINC000084670336 211172802 /nfs/dbraw/zinc/17/28/02/211172802.db2.gz XNKSVMFXAYUCSO-SXLOBPIMSA-N 0 3 394.481 4.612 1 0 GJAFHN CC(C)N1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000064527470 222072306 /nfs/dbraw/zinc/07/23/06/222072306.db2.gz HJLYVYKNLHNRGR-UHFFFAOYSA-N 0 3 398.497 4.777 1 0 GJAFHN Cc1ccc(O)c(C2=C[C@@H](c3cccc(Br)c3)SC(=N)N2)c1 ZINC000006522312 204182502 /nfs/dbraw/zinc/18/25/02/204182502.db2.gz NCAQKHRHTGXMBM-INIZCTEOSA-N 0 3 375.291 4.607 1 0 GJAFHN CCCN1CCC2(CC1)Oc1ccc(F)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000038147839 205036391 /nfs/dbraw/zinc/03/63/91/205036391.db2.gz DQFDCTHXHPOSPZ-NRFANRHFSA-N 0 3 397.469 4.710 1 0 GJAFHN O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000064746348 222079259 /nfs/dbraw/zinc/07/92/59/222079259.db2.gz RTOVDRRASKFSTF-UHFFFAOYSA-N 0 3 382.935 4.858 1 0 GJAFHN CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000066167318 222139680 /nfs/dbraw/zinc/13/96/80/222139680.db2.gz DXBQZFDFJNZGPE-UHFFFAOYSA-N 0 3 385.511 4.563 1 0 GJAFHN O[C@@H](CN1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccccc1Br ZINC000013766703 210090823 /nfs/dbraw/zinc/09/08/23/210090823.db2.gz VNTZPQSLIJCQKU-RHXYGLJOSA-N 0 3 386.333 4.893 1 0 GJAFHN COc1ccc2c(c1)C(CCCN1CCN(c3ccccc3OC)CC1)=CCC2 ZINC000000598816 209226938 /nfs/dbraw/zinc/22/69/38/209226938.db2.gz MXEYHCIDRRWILS-UHFFFAOYSA-N 0 3 392.543 4.636 1 0 GJAFHN OC[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC000095877411 211282040 /nfs/dbraw/zinc/28/20/40/211282040.db2.gz WREHTNPVNDWWAK-TUSQITKMSA-N 0 3 388.486 4.842 1 0 GJAFHN O[C@@H]1C[C@@H]2CCCC[C@H]2C[C@H]1N1CCC(c2ccccc2Br)CC1 ZINC000084758519 211176658 /nfs/dbraw/zinc/17/66/58/211176658.db2.gz YDRNNYAJXYKXEA-ZCLUNYJNSA-N 0 3 392.381 4.958 1 0 GJAFHN CC1=Nc2ccc(Cl)cc2[C@@H](c2cccc(O)c2)N1CCN1CCCCC1 ZINC000072122740 211071324 /nfs/dbraw/zinc/07/13/24/211071324.db2.gz HBKDSOFTLPIJDJ-JOCHJYFZSA-N 0 3 383.923 4.986 1 0 GJAFHN CCCOc1ccc(-c2cc(=O)c3ccccc3n2CCN2CCCCC2)cc1 ZINC000066112757 211002879 /nfs/dbraw/zinc/00/28/79/211002879.db2.gz YSNFRGQFXHVOHQ-UHFFFAOYSA-N 0 3 390.527 4.943 1 0 GJAFHN OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccc3cc(F)ccc3n2)C1 ZINC000013595164 221277305 /nfs/dbraw/zinc/27/73/05/221277305.db2.gz JJNLXONZPYBNTJ-HSZRJFAPSA-N 0 3 398.909 4.845 3 0 GJAFHN O=C1c2ccsc2C[C@@H]1CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000003941209 204022094 /nfs/dbraw/zinc/02/20/94/204022094.db2.gz GLTGLCASRVOFGP-AWEZNQCLSA-N 0 3 384.476 4.653 1 0 GJAFHN CC(C)c1cc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)nc(N)n1 ZINC000095573069 211277890 /nfs/dbraw/zinc/27/78/90/211277890.db2.gz URACURIXLGNCDK-UHFFFAOYSA-N 0 3 388.450 4.862 1 0 GJAFHN CN(Cc1cccc(I)c1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000095562166 211277374 /nfs/dbraw/zinc/27/73/74/211277374.db2.gz FCRPXAAHDVYPCS-RDJZCZTQSA-N 0 3 381.301 4.715 1 0 GJAFHN COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC000073166977 211125450 /nfs/dbraw/zinc/12/54/50/211125450.db2.gz PYMDZQJEBYTAEQ-CYBMUJFWSA-N 0 3 392.425 4.511 1 0 GJAFHN Oc1ccc2[nH]cc(CCN3CCN(c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000169339880 136197143 /nfs/dbraw/zinc/19/71/43/136197143.db2.gz SPQFZXKFGOIEHM-UHFFFAOYSA-N 0 3 397.522 4.905 1 0 GJAFHN O=C1OC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(Cl)cc(Cl)c1 ZINC000013740663 210088095 /nfs/dbraw/zinc/08/80/95/210088095.db2.gz DFHHBLPOXVRUDS-QGZVFWFLSA-N 0 3 389.238 4.565 1 0 GJAFHN O=c1c(-c2cccc(Cl)c2)cccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013436640 210061852 /nfs/dbraw/zinc/06/18/52/210061852.db2.gz JPUTZCOAZTZEHB-JOCHJYFZSA-N 0 3 378.903 4.854 1 0 GJAFHN COc1ccc2c(c1)CN1C(=N2)CS[C@@H]1c1cccc(Br)c1 ZINC000001865070 209341465 /nfs/dbraw/zinc/34/14/65/209341465.db2.gz BUBZFAHSDONJHM-QGZVFWFLSA-N 0 3 375.291 4.749 1 0 GJAFHN COc1ccc(C(=O)c2c(C)n(C[C@@H]3CCCN(C)C3)c3ccccc32)cc1 ZINC000003800823 204019439 /nfs/dbraw/zinc/01/94/39/204019439.db2.gz PVJLVAPEVZVRTI-GOSISDBHSA-N 0 3 376.500 4.531 1 0 GJAFHN O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)c(F)c1 ZINC000036351847 205013266 /nfs/dbraw/zinc/01/32/66/205013266.db2.gz GQPMKLRUBACYLZ-UHFFFAOYSA-N 0 3 380.438 4.512 1 0 GJAFHN COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2N(C)C1 ZINC000040373746 205062505 /nfs/dbraw/zinc/06/25/05/205062505.db2.gz XZGFPVWYZKSGAV-XJABCFGWSA-N 0 3 380.532 4.670 1 0 GJAFHN CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 ZINC000064527419 222071956 /nfs/dbraw/zinc/07/19/56/222071956.db2.gz UJKKBRMKWCZNQF-JOCHJYFZSA-N 0 3 387.552 4.744 1 0 GJAFHN COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(Br)cc13)C2 ZINC000040828929 205072382 /nfs/dbraw/zinc/07/23/82/205072382.db2.gz RFZOKJQQTZLOBO-UHFFFAOYSA-N 0 3 399.332 4.930 1 0 GJAFHN CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3c(ccc(OC)c3C(C)=O)c1)N2C ZINC000013862685 210095662 /nfs/dbraw/zinc/09/56/62/210095662.db2.gz CRYQFGVERCHAIU-PLLBJWBMSA-N 0 3 379.500 4.596 1 0 GJAFHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808487 204210104 /nfs/dbraw/zinc/21/01/04/204210104.db2.gz ZZVWHTYUEUSGGP-CQSZACIVSA-N 0 3 392.977 4.888 1 0 GJAFHN CC1=Nc2ccc(Cl)cc2[C@@H](c2ccc(O)cc2)N1CCN1CCCCC1 ZINC000072124649 205307222 /nfs/dbraw/zinc/30/72/22/205307222.db2.gz GWFSDJILIFKUIA-JOCHJYFZSA-N 0 3 383.923 4.986 1 0 GJAFHN CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 ZINC000064549169 222073691 /nfs/dbraw/zinc/07/36/91/222073691.db2.gz QIEFWSCBWYBVOT-JOCHJYFZSA-N 0 3 387.552 4.744 1 0 GJAFHN Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccc(Cl)cc3)c(=O)oc12 ZINC000084711524 211174303 /nfs/dbraw/zinc/17/43/03/211174303.db2.gz KKAFACLILQUQKV-UHFFFAOYSA-N 0 3 383.875 4.895 1 0 GJAFHN CCc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12 ZINC000072175722 136167378 /nfs/dbraw/zinc/16/73/78/136167378.db2.gz XWRIHDXIHXAJHC-UHFFFAOYSA-N 0 3 382.511 4.665 1 0 GJAFHN COc1ccc(OC(=O)[C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 ZINC000013740266 210088474 /nfs/dbraw/zinc/08/84/74/210088474.db2.gz UHKQIPANFISESU-ZXNZYJFHSA-N 0 3 385.891 4.521 1 0 GJAFHN C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Br)cc1 ZINC000013740359 210087603 /nfs/dbraw/zinc/08/76/03/210087603.db2.gz MCICXTYMNLLYEI-OREJSRFESA-N 0 3 386.333 4.879 1 0 GJAFHN CN1CCC(Oc2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1 ZINC000040863233 205074393 /nfs/dbraw/zinc/07/43/93/205074393.db2.gz ZYBUEDQNBAWSBZ-UHFFFAOYSA-N 0 3 387.405 4.789 1 0 GJAFHN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C1CCCC1 ZINC000084689932 205398669 /nfs/dbraw/zinc/39/86/69/205398669.db2.gz GOVUNAQRLXQFGG-UHFFFAOYSA-N 0 3 383.542 4.799 1 0 GJAFHN CN1c2cccc3c2[C@](CCCCCN2CCc4sccc4C2)(CCC3)C1=O ZINC000096915951 211350776 /nfs/dbraw/zinc/35/07/76/211350776.db2.gz BRMKLGVNYMFSHN-DEOSSOPVSA-N 0 3 394.584 4.917 1 0 GJAFHN Cc1cc(Cl)ccc1-c1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)o1 ZINC000084587309 136175002 /nfs/dbraw/zinc/17/50/02/136175002.db2.gz JBPZEDJNSIAVPF-UHFFFAOYSA-N 0 3 395.890 4.570 1 0 GJAFHN CCc1[nH]c2ccc(O)cc2c1CCN1CCN(c2cccc3ccccc32)CC1 ZINC000169339887 535988281 /nfs/dbraw/zinc/98/82/81/535988281.db2.gz GWGLLHWPHZQTLZ-UHFFFAOYSA-N 0 3 399.538 4.954 1 0 GJAFHN O=c1[nH]c(C2=C[C@@H](N3CC=C(c4ccccc4)CC3)CCC2)nc2ccccc21 ZINC000028954645 581101162 /nfs/dbraw/zinc/10/11/62/581101162.db2.gz OOOJBZDZBMLXDD-NRFANRHFSA-N 0 3 383.495 4.648 1 0 GJAFHN CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000013862294 210095331 /nfs/dbraw/zinc/09/53/31/210095331.db2.gz JWKRKSZDOLYLPR-WMZHIEFXSA-N 0 3 379.548 4.647 1 0 GJAFHN Cc1c(CCCN2CCN(c3ccc(F)cc3)CC2)c2cccc3c2n1CCC3 ZINC000013740411 210088615 /nfs/dbraw/zinc/08/86/15/210088615.db2.gz MYDNTERDEFPSGY-UHFFFAOYSA-N 0 3 391.534 4.790 1 0 GJAFHN COc1cc(C)cc2ccc(-c3ccc4c(c3OC)[C@@H](C)N[C@H](C)[C@@H]4O)c(O)c21 ZINC000085647809 291141176 /nfs/dbraw/zinc/14/11/76/291141176.db2.gz ZOHFADSZDMVMQC-SOHPYSCWSA-N 0 3 393.483 4.624 1 0 biogenic,in-vitro GJAFHN COc1cccc([C@]23C[C@H](CCC2)N(CCCC(=O)c2ccc(F)cc2)C3)c1 ZINC000033828365 209243553 /nfs/dbraw/zinc/24/35/53/209243553.db2.gz JDTJBXVPVMHEKX-URXFXBBRSA-N 0 3 381.491 4.993 1 0 GJAFHN CN1CCC(Oc2ccc3cc(-c4cc5ccccc5o4)c(=O)oc3c2)CC1 ZINC000084724723 205398783 /nfs/dbraw/zinc/39/87/83/205398783.db2.gz QYKVDDYWFZDFPR-UHFFFAOYSA-N 0 3 375.424 4.679 1 0 GJAFHN CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 ZINC000071318806 211045374 /nfs/dbraw/zinc/04/53/74/211045374.db2.gz JBJLFOBTINKHCK-XTQVGHSUSA-N 0 3 395.572 4.723 1 0 GJAFHN COc1ccc(-c2ccccc2CN2CCN(c3ccccc3OC)CC2)cc1 ZINC000096903298 536897290 /nfs/dbraw/zinc/89/72/90/536897290.db2.gz UFWZVSCOJZMSIH-UHFFFAOYSA-N 0 3 388.511 4.693 1 0 GJAFHN CN1CCC(c2coc3ccc(NC(=O)c4c(F)cccc4Cl)nc32)CC1 ZINC000013588433 210071362 /nfs/dbraw/zinc/07/13/62/210071362.db2.gz SLHURYLZMBDSBK-UHFFFAOYSA-N 0 3 387.842 4.682 1 0 GJAFHN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006818475 204212279 /nfs/dbraw/zinc/21/22/79/204212279.db2.gz LOQNUBSFUPCIAL-UHFFFAOYSA-N 0 3 391.490 4.524 1 0 GJAFHN Fc1cccc(CN2C[C@@H]3N[C@H](C2)[C@@H]3c2ccc(-c3cccc(F)c3)cc2)c1 ZINC000100101445 205604599 /nfs/dbraw/zinc/60/45/99/205604599.db2.gz ODPMAAAYGJPTFP-UBRQYEGLSA-N 0 3 376.450 4.572 1 0 GJAFHN CC(C)n1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)NC3CCCCC3)CN(C)[C@H]1C2 ZINC000000596912 560178362 /nfs/dbraw/zinc/17/83/62/560178362.db2.gz KEMOOQHMCGCZKH-HARLFGEKSA-N 0 3 393.575 4.631 1 0 in-vitro GJAFHN Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1 ZINC000013835517 210093360 /nfs/dbraw/zinc/09/33/60/210093360.db2.gz OKDOCDUEZGMGQH-UHFFFAOYSA-N 0 3 383.451 4.957 1 0 GJAFHN COc1ccc2c(c1)CN1C(=N2)CS[C@H]1c1cccc(Br)c1 ZINC000006019820 204161385 /nfs/dbraw/zinc/16/13/85/204161385.db2.gz BUBZFAHSDONJHM-KRWDZBQOSA-N 0 3 375.291 4.749 1 0 GJAFHN Nc1c2cc(C(=O)Nc3ccc(Br)cc3)ccc2nc2c1CCCC2 ZINC000045187900 205092253 /nfs/dbraw/zinc/09/22/53/205092253.db2.gz XAVMUXFMXMILFI-UHFFFAOYSA-N 0 3 396.288 4.711 1 0 GJAFHN CN1CCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)CC1 ZINC000045230756 205094567 /nfs/dbraw/zinc/09/45/67/205094567.db2.gz DLJXWZFZWKSERJ-UHFFFAOYSA-N 0 3 382.511 4.644 1 0 GJAFHN NCc1c(N)nc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1Cl ZINC000014948344 210131038 /nfs/dbraw/zinc/13/10/38/210131038.db2.gz VGQIDAKPEJSZTO-UHFFFAOYSA-N 0 3 379.678 4.812 1 0 GJAFHN COc1cc(OC)c(-c2ccc3c(c2OC)[C@@H](C)N[C@H](C)C3)c2cccc(O)c12 ZINC000095486321 291142042 /nfs/dbraw/zinc/14/20/42/291142042.db2.gz SWYXAUNAFCABGT-ZIAGYGMSSA-N 0 3 393.483 4.833 1 0 biogenic,in-vitro GJAFHN COc1ccc(C(=O)c2c(C)n(C[C@H]3CCCN(C)C3)c3ccccc32)cc1 ZINC000004618014 209503006 /nfs/dbraw/zinc/50/30/06/209503006.db2.gz PVJLVAPEVZVRTI-SFHVURJKSA-N 0 3 376.500 4.531 1 0 GJAFHN CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000013862295 210096132 /nfs/dbraw/zinc/09/61/32/210096132.db2.gz JWKRKSZDOLYLPR-AUSIDOKSSA-N 0 3 379.548 4.647 1 0 GJAFHN Fc1ccc(CN2CCC(COc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000013605817 210072595 /nfs/dbraw/zinc/07/25/95/210072595.db2.gz ATOHVNNYVAHAOM-UHFFFAOYSA-N 0 3 389.339 4.812 1 0 GJAFHN CCN1C=[N+](CC)[C@H](c2ccc([O-])cc2Cl)[C@@H]1c1ccc(O)cc1Cl ZINC000013559442 210066876 /nfs/dbraw/zinc/06/68/76/210066876.db2.gz FZBUSQBPUCOUKG-KDURUIRLSA-O 0 3 380.295 4.583 1 0 GJAFHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000038147842 205036012 /nfs/dbraw/zinc/03/60/12/205036012.db2.gz IDLXPKBYXJMPNU-JOCHJYFZSA-N 0 3 393.506 4.880 1 0 GJAFHN O[C@H]1CCCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 ZINC000045167253 205092852 /nfs/dbraw/zinc/09/28/52/205092852.db2.gz IMMRMKUWDFLSMP-QFIPXVFZSA-N 0 3 383.495 4.854 1 0 GJAFHN CC[C@@H](CO)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000072175480 205316840 /nfs/dbraw/zinc/31/68/40/205316840.db2.gz ZEQRYUQEPYSVBU-FQEVSTJZSA-N 0 3 382.935 4.502 1 0 GJAFHN CC(C)NCc1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1 ZINC000072177907 205317868 /nfs/dbraw/zinc/31/78/68/205317868.db2.gz GDDWVOYBSSUOSE-UHFFFAOYSA-N 0 3 395.425 4.531 1 0 GJAFHN O=C(c1ccc(F)cc1)N1C[C@@H]2N[C@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100106474 211382718 /nfs/dbraw/zinc/38/27/18/211382718.db2.gz YBMAYNUYCALJHZ-SOTXCSMQSA-N 0 3 398.481 4.576 1 0 GJAFHN O=C(Cc1csc2ccc(Cl)cc12)N1CCCC[C@H]1CN1CCCCC1 ZINC000029043355 210540548 /nfs/dbraw/zinc/54/05/48/210540548.db2.gz KNVKOTLDJLYIQK-SFHVURJKSA-N 0 3 390.980 4.964 1 0 GJAFHN O=c1[nH]c(C2=C[C@H](N3CC=C(c4ccccc4)CC3)CCC2)nc2ccccc21 ZINC000028954647 581101249 /nfs/dbraw/zinc/10/12/49/581101249.db2.gz OOOJBZDZBMLXDD-OAQYLSRUSA-N 0 3 383.495 4.648 1 0 GJAFHN COc1cccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)c1 ZINC000003735579 204019602 /nfs/dbraw/zinc/01/96/02/204019602.db2.gz TVHZNBUGLKHPEN-DEOSSOPVSA-N 0 3 384.479 4.991 1 0 GJAFHN CCCc1cc(N)c2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351743 205012917 /nfs/dbraw/zinc/01/29/17/205012917.db2.gz IDFBMMGOBKDDRJ-UHFFFAOYSA-N 0 3 387.405 4.970 1 0 GJAFHN N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061930361 205184893 /nfs/dbraw/zinc/18/48/93/205184893.db2.gz AMJURJHHSHMXSR-ZDUSSCGKSA-N 0 3 382.386 4.682 3 0 GJAFHN Cc1ccc([C@@]2(O)c3cc(Cl)ccc3N=C(C)N2CCN2CCCCC2)cc1 ZINC000072122725 205306348 /nfs/dbraw/zinc/30/63/48/205306348.db2.gz BAKRJLKWGGXQFY-HSZRJFAPSA-N 0 3 397.950 4.693 1 0 GJAFHN Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3cccc(O)c3)C2)n1 ZINC000020449820 210335307 /nfs/dbraw/zinc/33/53/07/210335307.db2.gz XVUPODKZAUUDJV-LJQANCHMSA-N 0 3 377.463 4.676 1 0 GJAFHN O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000084586647 136175039 /nfs/dbraw/zinc/17/50/39/136175039.db2.gz FEMAFCHAYMYMMA-UHFFFAOYSA-N 0 3 397.931 4.730 1 0 GJAFHN CCOc1ccc(-c2nc(CN3CCCC[C@@H]3CCn3cccn3)c(C)o2)cc1 ZINC000012763047 520814460 /nfs/dbraw/zinc/81/44/60/520814460.db2.gz DTEYRIFHHIHDHU-HXUWFJFHSA-N 0 3 394.519 4.690 3 0 GJAFHN CN(C)[C@H]1CCc2ccccc2[C@@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013822285 207001691 /nfs/dbraw/zinc/00/16/91/207001691.db2.gz LWGDYNPEVBZCPF-FPOVZHCZSA-N 0 3 391.342 4.612 1 0 GJAFHN Cc1cccc(Cl)c1Nc1nc2cc(NCCN(C)C)ccc2n2cncc12 ZINC000013860333 207002046 /nfs/dbraw/zinc/00/20/46/207002046.db2.gz SVKNMLIWRMWYEZ-UHFFFAOYSA-N 0 3 394.910 4.561 1 0 GJAFHN C[C@H]1CN(CCc2cccs2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000026741363 207317985 /nfs/dbraw/zinc/31/79/85/207317985.db2.gz BLTSMIPUZBPCHW-RXVVDRJESA-N 0 3 394.540 4.941 1 0 GJAFHN CCCN(CCC)[C@H]1COc2c(cccc2C(=O)c2ccc(C(C)=O)cc2)C1 ZINC000029341139 207359930 /nfs/dbraw/zinc/35/99/30/207359930.db2.gz GDCQIEHJIRJTNW-OAQYLSRUSA-N 0 3 379.500 4.546 1 0 GJAFHN CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)[C@@H]3C[C@@H](C)C[C@@H]32)c1 ZINC000101511240 136189811 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380.532 4.623 1 0 GJAFHN O=c1ccc(-c2ccc(Cl)cc2)cn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013436709 221268386 /nfs/dbraw/zinc/26/83/86/221268386.db2.gz SVPZCPQRIOAHRZ-QFIPXVFZSA-N 0 3 378.903 4.854 1 0 GJAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@@H](C)CC3 ZINC000013740443 206996628 /nfs/dbraw/zinc/99/66/28/206996628.db2.gz YSCAQEMUFUFOJY-IBGZPJMESA-N 0 3 388.559 4.525 1 0 GJAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000028646936 207346702 /nfs/dbraw/zinc/34/67/02/207346702.db2.gz YJNQSEKYJSADAF-UHFFFAOYSA-N 0 3 392.330 4.534 1 0 GJAFHN CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccc(C(C)=O)cc2)C1 ZINC000029341136 207359938 /nfs/dbraw/zinc/35/99/38/207359938.db2.gz GDCQIEHJIRJTNW-NRFANRHFSA-N 0 3 379.500 4.546 1 0 GJAFHN CC(C)CCN1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000007991981 221022192 /nfs/dbraw/zinc/02/21/92/221022192.db2.gz VRSOKMREWFZDNW-GOSISDBHSA-N 0 3 380.532 4.526 1 0 GJAFHN CC(C)CCN1CCc2nc(COc3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000007991982 221022292 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O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000013744554 221287224 /nfs/dbraw/zinc/28/72/24/221287224.db2.gz FZJKKJISIIXCAF-UIOOFZCWSA-N 0 3 396.534 4.711 1 0 GJAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@H](C)CC3 ZINC000013740442 221287410 /nfs/dbraw/zinc/28/74/10/221287410.db2.gz YSCAQEMUFUFOJY-LJQANCHMSA-N 0 3 388.559 4.525 1 0 GJAFHN CCC[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(OC)c1 ZINC000072118061 222207415 /nfs/dbraw/zinc/20/74/15/222207415.db2.gz RHXBFJZXEIOOMM-INIZCTEOSA-N 0 3 377.410 4.912 1 0 GJAFHN c1nc2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc2n1-c1ccccc1 ZINC000000587938 206307993 /nfs/dbraw/zinc/30/79/93/206307993.db2.gz KAHWLQUVZACQGS-UHFFFAOYSA-N 0 3 398.510 4.952 1 0 GJAFHN COc1cc2c(cc1OC)[C@H](CCN1CC=C(c3ccccc3)CC1)OCCC2 ZINC000027729836 207330497 /nfs/dbraw/zinc/33/04/97/207330497.db2.gz PWDAYIHFJVRFMX-QHCPKHFHSA-N 0 3 393.527 4.887 1 0 GJAFHN CN1CCC(Oc2cccc3ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1 ZINC000028571875 207344992 /nfs/dbraw/zinc/34/49/92/207344992.db2.gz 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208098044 /nfs/dbraw/zinc/09/80/44/208098044.db2.gz YDRNNYAJXYKXEA-USNOLKROSA-N 0 3 392.381 4.958 1 0 GJAFHN Cc1[nH]c2ccc(O)cc2c1CCN1CCN(c2cccc3ccccc32)CC1 ZINC000169339885 136197174 /nfs/dbraw/zinc/19/71/74/136197174.db2.gz LOTDLOJBMFOJNP-UHFFFAOYSA-N 0 3 385.511 4.700 1 0 GJAFHN CCOc1ccc(-c2nc(CN3CCCC[C@H]3CCn3cccn3)c(C)o2)cc1 ZINC000012763053 520815202 /nfs/dbraw/zinc/81/52/02/520815202.db2.gz DTEYRIFHHIHDHU-FQEVSTJZSA-N 0 3 394.519 4.690 3 0 GJAFHN CCOc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)[C@@H]3C)cc1Cl ZINC000002004915 212261230 /nfs/dbraw/zinc/26/12/30/212261230.db2.gz AMTIQANOOBNZPV-CYBMUJFWSA-N 0 3 388.895 4.549 1 0 GJAFHN COC(=O)C1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000028878419 207350258 /nfs/dbraw/zinc/35/02/58/207350258.db2.gz VEEYYIQQKILMMS-UHFFFAOYSA-N 0 3 382.891 4.528 1 0 GJAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1cccc(F)c1 ZINC000029123275 207355482 /nfs/dbraw/zinc/35/54/82/207355482.db2.gz UCXOJQUVLVENFV-UHFFFAOYSA-N 0 3 380.438 4.512 1 0 GJAFHN OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1 ZINC000073219170 208034925 /nfs/dbraw/zinc/03/49/25/208034925.db2.gz FGTGRXMIFIZGBG-UHFFFAOYSA-N 0 3 379.928 4.945 1 0 GJAFHN CCOc1cccc(C2(N3CCN(Cc4ccccc4)CC3)[C@@H]3CC(C)C[C@@H]32)c1 ZINC000096272390 208300210 /nfs/dbraw/zinc/30/02/10/208300210.db2.gz SBNRJNNLQXJARV-FMLGTGLNSA-N 0 3 390.571 4.774 1 0 GJAFHN Fc1ccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5cccc(F)c5)C[C@H]3N4)cc2)cc1 ZINC000100106244 208371969 /nfs/dbraw/zinc/37/19/69/208371969.db2.gz MOKUXQDRJMNAGW-UBRQYEGLSA-N 0 3 376.450 4.572 1 0 GJAFHN CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 ZINC000064527417 222072442 /nfs/dbraw/zinc/07/24/42/222072442.db2.gz KHPGADABEDKFQQ-JOCHJYFZSA-N 0 3 387.552 4.744 1 0 GJAFHN COc1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000103265596 536977532 /nfs/dbraw/zinc/97/75/32/536977532.db2.gz VBCPBEORWVJMOH-UHFFFAOYSA-N 0 3 397.522 4.961 1 0 GJAFHN O=S(=O)(c1ccccc1)C1(CCCN2CC[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000028571512 207344604 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C[C@@H]1CN(CCc2cccs2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000026741359 207318398 /nfs/dbraw/zinc/31/83/98/207318398.db2.gz BLTSMIPUZBPCHW-NQIIRXRSSA-N 0 3 394.540 4.941 1 0 GJAFHN COc1cc2c(cc1OC)[C@@H](CCN1CC=C(c3ccccc3)CC1)OCCC2 ZINC000027729843 207330656 /nfs/dbraw/zinc/33/06/56/207330656.db2.gz PWDAYIHFJVRFMX-HSZRJFAPSA-N 0 3 393.527 4.887 1 0 GJAFHN COc1ccc2c(c1)C(CCCN1CCc3cc(OC)c(OC)cc3C1)=CCC2 ZINC000029060162 207356218 /nfs/dbraw/zinc/35/62/18/207356218.db2.gz NLSOIGZWHUMJEN-UHFFFAOYSA-N 0 3 393.527 4.881 1 0 GJAFHN C[C@@H]1[C@@H]2Cc3ccc([O-])c(Br)c3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000013742454 221286351 /nfs/dbraw/zinc/28/63/51/221286351.db2.gz WHEMVNOXXPKYIS-FNXXIHLHSA-N 0 3 386.333 4.879 1 0 GJAFHN C[C@@H]1[C@@H]2Cc3ccc([O-])c(Br)c3[C@@]1(C)CC[N@H+]2Cc1ccccc1 ZINC000013742454 221286356 /nfs/dbraw/zinc/28/63/56/221286356.db2.gz WHEMVNOXXPKYIS-FNXXIHLHSA-N 0 3 386.333 4.879 1 0 GJAFHN CCCC(=O)[C@H](N)CC1=CC(OC)=CN2C3=CCCC[C@]34CC=CC=C4C2=C1 ZINC000064539696 222072927 /nfs/dbraw/zinc/07/29/27/222072927.db2.gz NCDDOKYQRTXQNS-YKSBVNFPSA-N 0 3 378.516 4.641 1 0 GJAFHN CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=N)NO)cc1 ZINC000073296347 222269737 /nfs/dbraw/zinc/26/97/37/222269737.db2.gz HIAMBMRUVBRUIS-UHFFFAOYSA-N 0 3 382.895 4.853 1 0 GJAFHN O[C@@H](CN1[C@@H]2CC[C@H]1CC(c1ccccc1)C2)c1cccc(Br)c1 ZINC000013766707 221288421 /nfs/dbraw/zinc/28/84/21/221288421.db2.gz OPZPEBWJFYVOEI-KRIYCRJKSA-N 0 3 386.333 4.893 1 0 GJAFHN CC1=Nc2ccc(Cl)cc2[C@H](c2ccc(O)cc2)N1CCN1CCCCC1 ZINC000072124648 222208425 /nfs/dbraw/zinc/20/84/25/222208425.db2.gz GWFSDJILIFKUIA-QFIPXVFZSA-N 0 3 383.923 4.986 1 0 GJAFHN COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(C(F)(F)F)CC3)c2c1 ZINC000073157517 222267517 /nfs/dbraw/zinc/26/75/17/222267517.db2.gz UNOMSPUZTADUJI-UHFFFAOYSA-N 0 3 392.425 4.511 1 0 GJAFHN CC(C)n1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@H]1C2 ZINC000011616952 560211386 /nfs/dbraw/zinc/21/13/86/560211386.db2.gz KEMOOQHMCGCZKH-JZWVFAODSA-N 0 3 393.575 4.631 1 0 in-vitro GJAFHN COc1ccc(-c2c(O)cc(OC)c3c2C[C@@H](C)N[C@@H]3C)c2cc(C)cc(O)c12 ZINC000005849012 206261796 /nfs/dbraw/zinc/26/17/96/206261796.db2.gz AFHOBLZGERHVHS-ZIAGYGMSSA-N 0 3 393.483 4.839 1 0 GJAFHN COc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCN(C)CC4)c32)c1 ZINC000014949385 207033390 /nfs/dbraw/zinc/03/33/90/207033390.db2.gz UNJMEZAIQIBRQJ-UHFFFAOYSA-N 0 3 398.894 4.508 1 0 GJAFHN CN1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4Cl)nc32)CC1 ZINC000013588434 221275382 /nfs/dbraw/zinc/27/53/82/221275382.db2.gz IWNPMSHFWIZUSM-UHFFFAOYSA-N 0 3 387.842 4.682 1 0 GJAFHN O=c1cc(NC2CCN(Cc3ccccc3)CC2)c2ccc3c(c2o1)CCCC3 ZINC000084615621 222317889 /nfs/dbraw/zinc/31/78/89/222317889.db2.gz IRRDJAYDGPAUGG-UHFFFAOYSA-N 0 3 388.511 4.748 1 0 GJAFHN Cc1nc2nc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN ZINC000035900869 581093306 /nfs/dbraw/zinc/09/33/06/581093306.db2.gz LTTHKONSKZOOKY-UHFFFAOYSA-N 0 3 384.270 4.532 1 0 GJAFHN CSc1sc(C(=N)N)cc1-c1csc(NCCCc2ccccc2)n1 ZINC000028001131 581096620 /nfs/dbraw/zinc/09/66/20/581096620.db2.gz WWYYVQSACHTSIU-UHFFFAOYSA-N 0 3 388.587 4.922 1 0 GJAFHN Fc1cccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5ccccc5F)C[C@H]3N4)cc2)c1 ZINC000100106984 208372391 /nfs/dbraw/zinc/37/23/91/208372391.db2.gz QKDMCGVGQFLQPN-UBRQYEGLSA-N 0 3 376.450 4.572 1 0 GJAFHN CCN1c2cccc3c2[C@@](CCCCN2CCc4sccc4C2)(CCC3)C1=O ZINC000013817883 221290329 /nfs/dbraw/zinc/29/03/29/221290329.db2.gz ACCXXSBGCCOECP-XMMPIXPASA-N 0 3 394.584 4.917 1 0 GJAFHN CCC(CC)C[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@]1(O)CC ZINC000017000735 221375351 /nfs/dbraw/zinc/37/53/51/221375351.db2.gz XQDQBYIIIBVIBX-RFWXGWTQSA-N 0 3 375.553 4.590 3 0 GJAFHN Cc1nc2ccc(F)cc2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1C ZINC000169354811 136197314 /nfs/dbraw/zinc/19/73/14/136197314.db2.gz OGGREUDUNWRXNK-HNNXBMFYSA-N 0 3 378.495 4.875 1 0 GJAFHN FC(F)(F)Oc1ccc(C2=NC[C@H](c3cccc(Cl)c3)N2)cc1Cl ZINC000028948581 221686835 /nfs/dbraw/zinc/68/68/35/221686835.db2.gz YSVGUVAAWFHBTN-CYBMUJFWSA-N 0 3 375.177 4.983 1 0 GJAFHN CCN(CCCCCC(=O)c1ccc(OC)c(OC)c1)Cc1ccccc1OC ZINC000003785305 581095468 /nfs/dbraw/zinc/09/54/68/581095468.db2.gz RTNGBTCZDTVPTB-UHFFFAOYSA-N 0 3 399.531 4.978 1 0 GJAFHN COc1ccc(-c2c(O)cc(OC)c3c2C[C@@H](C)N[C@H]3C)c2cc(C)cc(O)c12 ZINC000033663659 212117058 /nfs/dbraw/zinc/11/70/58/212117058.db2.gz AFHOBLZGERHVHS-KGLIPLIRSA-N 0 3 393.483 4.839 1 0 GJAFHN CC(C)(C)c1cc(-c2nc3cc(C4=NCCN4)ccc3[nH]2)c(O)c(C(C)(C)C)c1 ZINC000002007571 206396132 /nfs/dbraw/zinc/39/61/32/206396132.db2.gz VMVHIMPVDDZYFD-UHFFFAOYSA-N 0 3 390.531 4.880 1 0 GJAFHN CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1CO ZINC000028713129 207347199 /nfs/dbraw/zinc/34/71/99/207347199.db2.gz SCAAWDRVJUXIRP-GSDHBNRESA-N 0 3 386.539 4.983 1 0 GJAFHN Fc1cccc(CN2C[C@@H]3N[C@H](C2)[C@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100107998 208372858 /nfs/dbraw/zinc/37/28/58/208372858.db2.gz DUWAUMJQFFNXKK-IRYQOARMSA-N 0 3 384.498 4.936 1 0 GJAFHN CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O ZINC000013588457 221275372 /nfs/dbraw/zinc/27/53/72/221275372.db2.gz RTCXPSZQJKHURF-HKBOAZHASA-N 0 3 375.516 4.754 1 0 GJAFHN CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O ZINC000013588458 221275661 /nfs/dbraw/zinc/27/56/61/221275661.db2.gz RTCXPSZQJKHURF-NJYVYQBISA-N 0 3 375.516 4.754 1 0 GJAFHN N[C@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061930364 222064013 /nfs/dbraw/zinc/06/40/13/222064013.db2.gz AMJURJHHSHMXSR-CYBMUJFWSA-N 0 3 382.386 4.682 3 0 GJAFHN COc1ccc(C2=C(c3ccc(OC)c(OC)c3)CN3CCCC[C@@H]3C2)cc1 ZINC000061948175 222064244 /nfs/dbraw/zinc/06/42/44/222064244.db2.gz JQFFTMOHPXWTOK-LJQANCHMSA-N 0 3 379.500 4.881 3 0 GJAFHN CC(C)NCc1c(C(=O)N[C@H](C)C(C)C)noc1-c1ccc(C(F)(F)F)cc1 ZINC000072177636 222216646 /nfs/dbraw/zinc/21/66/46/222216646.db2.gz JTRMDEAPHOUQLT-CYBMUJFWSA-N 0 3 397.441 4.633 1 0 GJAFHN CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N[C@@H](C)CN(C)C ZINC000072177682 222216720 /nfs/dbraw/zinc/21/67/20/222216720.db2.gz BIAKCZGGQHGNJY-LBPRGKRZSA-N 0 3 381.351 4.937 1 0 GJAFHN COc1ccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cc1OC ZINC000013437878 581095734 /nfs/dbraw/zinc/09/57/34/581095734.db2.gz OKVKLZPKRNEJKI-UHFFFAOYSA-N 0 3 391.543 4.562 1 0 GJAFHN CC[C@H](COC)n1cc2c3c1cc(C)nc3N(c1ccc(OC)cc1C)CC2 ZINC000028958680 207352625 /nfs/dbraw/zinc/35/26/25/207352625.db2.gz AYUHBCWRUFPOHT-GOSISDBHSA-N 0 3 379.504 4.953 1 0 GJAFHN COc1ccc2c(c1)CCC=C2CCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000029059994 207356024 /nfs/dbraw/zinc/35/60/24/207356024.db2.gz CIZNGVIPVFMLRQ-UHFFFAOYSA-N 0 3 393.527 4.881 1 0 GJAFHN COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000073166974 208033122 /nfs/dbraw/zinc/03/31/22/208033122.db2.gz PYMDZQJEBYTAEQ-ZDUSSCGKSA-N 0 3 392.425 4.511 1 0 GJAFHN CN(C)CCN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 ZINC000040567169 535873242 /nfs/dbraw/zinc/87/32/42/535873242.db2.gz PWVVOROZDYNQCU-UHFFFAOYSA-N 0 3 399.538 4.920 1 0 GJAFHN O[C@H]1CCCc2nc3ccccc3c(NCc3c(F)c(F)c(F)c(F)c3F)c21 ZINC000014946518 207033564 /nfs/dbraw/zinc/03/35/64/207033564.db2.gz SHMLXHJDPNXDDR-ZDUSSCGKSA-N 0 3 394.343 4.912 1 0 GJAFHN CCCNC(=O)c1ccc2c(c1)N([C@@H](C)CN1CCCC1)c1ccccc1S2 ZINC000013888259 221293540 /nfs/dbraw/zinc/29/35/40/221293540.db2.gz KXMAIWXPZGQNCR-KRWDZBQOSA-N 0 3 395.572 4.913 1 0 in-man GJAFHN C[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000026730059 207317822 /nfs/dbraw/zinc/31/78/22/207317822.db2.gz FXCXOYFIDLBWSR-OFNKIYASSA-N 0 3 388.511 4.880 1 0 GJAFHN O=C(Nc1ccccc1)N1C[C@@H]2N[C@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101600 208371847 /nfs/dbraw/zinc/37/18/47/208371847.db2.gz ODCBNSLJZZSZIE-VVVPJILLSA-N 0 3 395.506 4.829 1 0 GJAFHN O[C@@H]1CCCc2nc3ccccc3c(NCc3c(F)c(F)c(F)c(F)c3F)c21 ZINC000014946517 221318794 /nfs/dbraw/zinc/31/87/94/221318794.db2.gz SHMLXHJDPNXDDR-CYBMUJFWSA-N 0 3 394.343 4.912 1 0 GJAFHN OC[C@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC000095877410 222360375 /nfs/dbraw/zinc/36/03/75/222360375.db2.gz WREHTNPVNDWWAK-NQHRYMMQSA-N 0 3 388.486 4.842 1 0 GJAFHN