smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1N=C(C)C(C(=O)OC)[C@@H](CCc2ccccc2)C1C(=O)OCC ZINC000026745105 202147436 /nfs/dbraw/zinc/14/74/36/202147436.db2.gz QDAZULNAIABWLW-IGGDJGDASA-N 0 3 343.423 3.963 1 0 EHAFHN C[C@H]1CC[C@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027869944 202161929 /nfs/dbraw/zinc/16/19/29/202161929.db2.gz QHSLZSOMQYGRSK-CKJXQJPGSA-N 0 3 337.467 3.526 1 0 EHAFHN CN(C)C[C@@H](c1ccccc1Br)C1(O)CCCCC1 ZINC000026730546 202148241 /nfs/dbraw/zinc/14/82/41/202148241.db2.gz RXLTXBKNARFTEK-AWEZNQCLSA-N 0 3 326.278 3.790 1 0 EHAFHN Clc1ccc(CN2CC[C@H](Nc3ccc4n[nH]cc4c3)C2)cc1 ZINC000028642189 202173503 /nfs/dbraw/zinc/17/35/03/202173503.db2.gz VYZJFSWYQODVMI-KRWDZBQOSA-N 0 3 326.831 3.903 1 0 EHAFHN COc1ccc2c(c1)c(-c1ccccc1)c(CN)n(CC(C)C)c2=O ZINC000072105474 203163052 /nfs/dbraw/zinc/16/30/52/203163052.db2.gz XTAAQZWWWVBDRN-UHFFFAOYSA-N 0 3 336.435 3.792 1 0 EHAFHN CCc1nn(-c2ccccc2)c2cc(N3CCN(CC)CC3)ccc12 ZINC000072178457 203183043 /nfs/dbraw/zinc/18/30/43/203183043.db2.gz QQRBENGNGFOSIT-UHFFFAOYSA-N 0 3 334.467 3.730 1 0 EHAFHN CCOc1cccc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)oc21 ZINC000036188017 202317948 /nfs/dbraw/zinc/31/79/48/202317948.db2.gz KZNWUENOIFPOLA-INIZCTEOSA-N 0 3 342.439 3.532 1 0 EHAFHN COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCC3)CN1CC2 ZINC000071332204 203092907 /nfs/dbraw/zinc/09/29/07/203092907.db2.gz XALFRGKXCLWMIA-YTQUADARSA-N 0 3 345.483 3.564 1 0 EHAFHN Cc1ccc(-c2nc3ccc(NC(=O)CN4CCCC4)cc3[nH]2)cc1 ZINC000072106663 203162388 /nfs/dbraw/zinc/16/23/88/203162388.db2.gz HIJKKOGFITTXIL-UHFFFAOYSA-N 0 3 334.423 3.573 1 0 EHAFHN O=C1[C@H](c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2 ZINC000026273170 202141318 /nfs/dbraw/zinc/14/13/18/202141318.db2.gz LQRUHPTVKTXHPR-IBGZPJMESA-N 0 3 339.410 3.543 1 0 EHAFHN COc1ccc(Cl)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000026672802 202146044 /nfs/dbraw/zinc/14/60/44/202146044.db2.gz HVWRVAHBKREIOR-HKUYNNGSSA-N 0 3 330.859 3.932 1 0 EHAFHN C[C@@H]1CC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027883607 202161763 /nfs/dbraw/zinc/16/17/63/202161763.db2.gz QHSLZSOMQYGRSK-WHSLLNHNSA-N 0 3 337.467 3.526 1 0 EHAFHN Clc1ccccc1CN1CC[C@@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000028642015 202173697 /nfs/dbraw/zinc/17/36/97/202173697.db2.gz JQHQSWUFSHQDHF-MRXNPFEDSA-N 0 3 326.831 3.903 1 0 EHAFHN CC(=O)c1c(OCCN2CCCC[C@H]2C)ccc2c(C)cc(=O)oc21 ZINC000071294365 203091295 /nfs/dbraw/zinc/09/12/95/203091295.db2.gz GFYBYYOSIJSNGO-CQSZACIVSA-N 0 3 343.423 3.557 1 0 EHAFHN CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1 ZINC000005986055 560204197 /nfs/dbraw/zinc/20/41/97/560204197.db2.gz LEPBHAAYNPPRRA-AUSIDOKSSA-N 0 3 344.458 3.929 3 0 in-vitro EHAFHN COc1ccc(C(=O)c2cn(C[C@@H]3CCCN3C)c3ccccc23)cc1 ZINC000026281074 202141308 /nfs/dbraw/zinc/14/13/08/202141308.db2.gz TXPOENCRRSVEEK-KRWDZBQOSA-N 0 3 348.446 3.975 1 0 EHAFHN CCC(=O)N(c1ccc(Br)cc1)[C@H]1CCC[C@@H]1N(C)C ZINC000028242126 202168281 /nfs/dbraw/zinc/16/82/81/202168281.db2.gz VLKLBMVYCDBBDP-GJZGRUSLSA-N 0 3 339.277 3.675 1 0 EHAFHN CCN(CC)CCN[C@@H]1c2ccccc2SCc2ncccc21 ZINC000027869835 202161274 /nfs/dbraw/zinc/16/12/74/202161274.db2.gz FHPHFHPRCULQDB-IBGZPJMESA-N 0 3 327.497 3.708 1 0 EHAFHN CC(=O)C[C@@H]1c2ccccc2N=C(n2ccnc2)N1c1ccccc1 ZINC000103176594 204064941 /nfs/dbraw/zinc/06/49/41/204064941.db2.gz MWEJHMGQXQXWNO-LJQANCHMSA-N 0 3 330.391 3.959 1 0 EHAFHN CCc1ccc(CN2CCC(CO)(Cc3ccc(OC)cc3)CC2)o1 ZINC000011842802 201817087 /nfs/dbraw/zinc/81/70/87/201817087.db2.gz NLRMAYUBZQBYDL-UHFFFAOYSA-N 0 3 343.467 3.668 1 0 EHAFHN C[C@H]([C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC000013884739 201919413 /nfs/dbraw/zinc/91/94/13/201919413.db2.gz MJVPVUAVZUCLJO-MLGOLLRUSA-N 0 3 343.298 3.867 1 0 EHAFHN COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 ZINC000026003326 202137507 /nfs/dbraw/zinc/13/75/07/202137507.db2.gz OQCAPGRMAFQKAM-UHFFFAOYSA-N 0 3 327.453 3.998 1 0 EHAFHN CCC(=O)N(c1ccc(Br)cc1)[C@@H]1CCC[C@@H]1N(C)C ZINC000028242119 202167506 /nfs/dbraw/zinc/16/75/06/202167506.db2.gz VLKLBMVYCDBBDP-LSDHHAIUSA-N 0 3 339.277 3.675 1 0 EHAFHN C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2 ZINC000036520836 132392209 /nfs/dbraw/zinc/39/22/09/132392209.db2.gz MWHSRYBROGTQTJ-DYVFJYSZSA-N 0 3 343.858 3.599 1 0 EHAFHN CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1N(C)C ZINC000028240700 202168265 /nfs/dbraw/zinc/16/82/65/202168265.db2.gz JJRZMZGAQAOCDL-HUUCEWRRSA-N 0 3 328.378 3.931 1 0 EHAFHN O=C1c2ccccc2-c2ncc(OCCN3CCCC3)c3cccc1c32 ZINC000071342014 203094306 /nfs/dbraw/zinc/09/43/06/203094306.db2.gz AXICBACTWUBGMF-UHFFFAOYSA-N 0 3 344.414 3.921 1 0 EHAFHN COc1ccc(/C=C/C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 ZINC000103236368 204068771 /nfs/dbraw/zinc/06/87/71/204068771.db2.gz SDKWHDPKUPAWRY-BJMVGYQFSA-N 0 3 333.391 3.786 1 0 EHAFHN CN1[C@@H]2CCC[C@H]1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000013765778 201914166 /nfs/dbraw/zinc/91/41/66/201914166.db2.gz QAWJSXVOEPKRIQ-FKEKPDDDSA-N 0 3 333.863 3.597 1 0 EHAFHN COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2 ZINC000028711655 202175122 /nfs/dbraw/zinc/17/51/22/202175122.db2.gz FUBQWNPFXKULIT-UHFFFAOYSA-N 0 3 325.452 3.715 1 0 EHAFHN CCN1CC[C@@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 ZINC000031842201 202210588 /nfs/dbraw/zinc/21/05/88/202210588.db2.gz ADTJYHHPIOXMGN-IFMALSPDSA-N 0 3 337.463 3.716 1 0 EHAFHN CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc2c(c1)OCCO2 ZINC000071294748 203090957 /nfs/dbraw/zinc/09/09/57/203090957.db2.gz WXULTKVAYIDINC-FQEVSTJZSA-N 0 3 334.419 3.737 1 0 EHAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)Oc2ccccc2)C1 ZINC000026828512 202148674 /nfs/dbraw/zinc/14/86/74/202148674.db2.gz IKQCRXDMGMJMFY-QZTJIDSGSA-N 0 3 329.827 3.981 1 0 EHAFHN CCOc1cc2c(cc1OCC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 ZINC000028765440 202176275 /nfs/dbraw/zinc/17/62/75/202176275.db2.gz ANDOQLXQJYNBHQ-NTDBWNAOSA-N 0 3 345.483 3.564 1 0 EHAFHN CNCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C ZINC000028770913 202177106 /nfs/dbraw/zinc/17/71/06/202177106.db2.gz LUGCHXIWKALCOX-GFCCVEGCSA-N 0 3 341.842 3.661 1 0 EHAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C/C=C/CF ZINC000035030819 202285549 /nfs/dbraw/zinc/28/55/49/202285549.db2.gz XZWRXMFAFBSAJC-BFKYMBCJSA-N 0 3 331.431 3.630 1 0 EHAFHN CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1N(C)C ZINC000028240693 202167899 /nfs/dbraw/zinc/16/78/99/202167899.db2.gz JJRZMZGAQAOCDL-GJZGRUSLSA-N 0 3 328.378 3.931 1 0 EHAFHN Cc1ccc([O-])c(C(=O)NCCC[N@H+]2[C@@H]3CCCC[C@H]3CC[C@@H]2C)c1 ZINC000029397506 202186861 /nfs/dbraw/zinc/18/68/61/202186861.db2.gz JYSCQQFMBWWEBV-JENIJYKNSA-N 0 3 344.499 3.864 1 0 EHAFHN Cc1ccc([O-])c(C(=O)NCCC[N@@H+]2[C@@H]3CCCC[C@H]3CC[C@@H]2C)c1 ZINC000029397506 202186863 /nfs/dbraw/zinc/18/68/63/202186863.db2.gz JYSCQQFMBWWEBV-JENIJYKNSA-N 0 3 344.499 3.864 1 0 EHAFHN CCN(CC)CCN[C@@H]1c2cccnc2COc2ccc(Cl)cc21 ZINC000026838647 202149582 /nfs/dbraw/zinc/14/95/82/202149582.db2.gz FZIYUEIOSQFKNH-LJQANCHMSA-N 0 3 345.874 3.648 1 0 EHAFHN Cc1cc(Br)c([O-])c(-c2cc3cc(C(N)=[NH2+])ccc3[nH]2)c1 ZINC000033359893 202260004 /nfs/dbraw/zinc/26/00/04/202260004.db2.gz BVTBOJXEAPSOEB-UHFFFAOYSA-N 0 3 344.212 3.895 1 0 in-vivo EHAFHN Cc1noc(C)c1CCN1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020917093 202058181 /nfs/dbraw/zinc/05/81/81/202058181.db2.gz KLUUBMWYZSKGMG-KRWDZBQOSA-N 0 3 328.391 3.686 1 0 EHAFHN CN(C)CCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c32)C1=O ZINC000026296786 202141040 /nfs/dbraw/zinc/14/10/40/202141040.db2.gz ZMSDWJNUJMOYPQ-UHFFFAOYSA-N 0 3 344.414 3.664 1 0 EHAFHN CC(=O)N1c2ccccc2S[C@@H]1c1ccc(OCCN(C)C)cc1 ZINC000028015463 202164136 /nfs/dbraw/zinc/16/41/36/202164136.db2.gz PJGSERJMYIARGY-LJQANCHMSA-N 0 3 342.464 3.784 1 0 EHAFHN CN1CCc2c(c(-c3ccc(F)cc3)nn2CCc2ccccc2)C1 ZINC000028006311 202164045 /nfs/dbraw/zinc/16/40/45/202164045.db2.gz GSXYWPMZPIKWBL-UHFFFAOYSA-N 0 3 335.426 3.920 1 0 EHAFHN CCC(=O)N(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H]1N(C)C ZINC000028237887 202167695 /nfs/dbraw/zinc/16/76/95/202167695.db2.gz JPHNQGBDWVDAIV-HUUCEWRRSA-N 0 3 328.378 3.931 1 0 EHAFHN Clc1cccc(CN2CC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028642176 202174596 /nfs/dbraw/zinc/17/45/96/202174596.db2.gz DBLHWYWZXQGUJM-QGZVFWFLSA-N 0 3 326.831 3.903 1 0 EHAFHN CCCCN1CCC2(CC1)O[C@@H](OC)c1c2cnn1-c1ccccc1 ZINC000029055969 202180323 /nfs/dbraw/zinc/18/03/23/202180323.db2.gz VJKLIZVDVSRNBX-LJQANCHMSA-N 0 3 341.455 3.639 1 0 EHAFHN COc1ccc([C@H](O)[C@@H](C)N2CC=C(Cc3ccccc3)CC2)cc1 ZINC000031575953 201387579 /nfs/dbraw/zinc/38/75/79/201387579.db2.gz XQLBAPHRSPLANO-VGOFRKELSA-N 0 3 337.463 3.992 1 0 EHAFHN CCN1CCN(Cc2ccc3c(ccn3Cc3ccccc3)c2)CC1 ZINC000071294869 203091351 /nfs/dbraw/zinc/09/13/51/203091351.db2.gz ZFRUBAHDTXBUFH-UHFFFAOYSA-N 0 3 333.479 3.827 1 0 EHAFHN CCC(=O)N(c1ccc(Br)cc1)[C@@H]1CCC[C@H]1N(C)C ZINC000028242132 202168301 /nfs/dbraw/zinc/16/83/01/202168301.db2.gz VLKLBMVYCDBBDP-HUUCEWRRSA-N 0 3 339.277 3.675 1 0 EHAFHN CN(C)CCCNc1ccc2c(c1)-c1nccc3cccc(c31)C2=O ZINC000073312740 203264158 /nfs/dbraw/zinc/26/41/58/203264158.db2.gz TWUSFVAUFFQXIK-UHFFFAOYSA-N 0 3 331.419 3.810 1 0 EHAFHN COc1ccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 ZINC000103236403 204069214 /nfs/dbraw/zinc/06/92/14/204069214.db2.gz RZROLGMBGCSWEZ-UHFFFAOYSA-N 0 3 335.407 3.705 1 0 EHAFHN Oc1ccc2nc(CN3CCC(Cc4ccc([18F])cc4)CC3)[nH]c2c1 ZINC000101910313 219171158 /nfs/dbraw/zinc/17/11/58/219171158.db2.gz PAFKHYPPLMSWPU-GJQNQZCXSA-N 0 3 338.417 3.862 1 0 EHAFHN c1ccc(CCN2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000021639874 212236299 /nfs/dbraw/zinc/23/62/99/212236299.db2.gz WCNPGPVNCRKBSQ-UHFFFAOYSA-N 0 3 330.435 3.821 1 0 EHAFHN CCCNCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C ZINC000028771930 212635991 /nfs/dbraw/zinc/63/59/91/212635991.db2.gz WXFLCUZLMSDEJW-HNNXBMFYSA-N 0 3 335.451 3.788 1 0 EHAFHN CCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1 ZINC000020900171 212185084 /nfs/dbraw/zinc/18/50/84/212185084.db2.gz CZDJAOWKZQKIOG-UHFFFAOYSA-N 0 3 344.484 3.530 3 0 EHAFHN Fc1cccc(OC2CCN(CCn3cc4ccccc4n3)CC2)c1 ZINC000020587014 212149750 /nfs/dbraw/zinc/14/97/50/212149750.db2.gz YANQEQIWWMLZSG-UHFFFAOYSA-N 0 3 339.414 3.719 1 0 EHAFHN FC1(F)CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832276 214033710 /nfs/dbraw/zinc/03/37/10/214033710.db2.gz BCASBMRZFILCPE-ROUUACIJSA-N 0 3 345.389 3.690 1 0 EHAFHN O[C@@]1(CSc2ccc(-c3ccccc3)cc2)CN2CCC1CC2 ZINC000003795459 210075550 /nfs/dbraw/zinc/07/55/50/210075550.db2.gz VENATLDJGBZYNB-HXUWFJFHSA-N 0 3 325.477 3.902 1 0 EHAFHN C/C=C(\C)CN1CCC2(CCC(=O)N2OCc2ccccc2F)CC1 ZINC000072120669 216013417 /nfs/dbraw/zinc/01/34/17/216013417.db2.gz DTHSOOYZBMOQTO-HQYXKAPLSA-N 0 3 346.446 3.681 1 0 EHAFHN COc1ccc2[nH]cc(CN3CCC(O)(c4ccccc4)CC3)c2c1 ZINC000053244074 214172679 /nfs/dbraw/zinc/17/26/79/214172679.db2.gz DGGPZCDYOYMIGP-UHFFFAOYSA-N 0 3 336.435 3.660 1 0 EHAFHN CCN1CCC[C@H]1CNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004057414 210109145 /nfs/dbraw/zinc/10/91/45/210109145.db2.gz RTKLGPKHHCHQMK-AWEZNQCLSA-N 0 3 337.423 3.504 3 0 EHAFHN CC[C@@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C ZINC000003876053 210081869 /nfs/dbraw/zinc/08/18/69/210081869.db2.gz TUNMGCULOKMBNJ-YRISNDGFSA-N 0 3 347.499 3.810 1 0 EHAFHN CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 ZINC000036381380 213092703 /nfs/dbraw/zinc/09/27/03/213092703.db2.gz IVXCCONSJKCOIB-UHFFFAOYSA-N 0 3 329.450 3.629 1 0 EHAFHN Clc1ccc2ccn(CCN3CCCN4CCCC[C@@H]4C3)c2c1 ZINC000022940028 212337349 /nfs/dbraw/zinc/33/73/49/212337349.db2.gz VUPZTBCFGWVULV-GOSISDBHSA-N 0 3 331.891 3.855 1 0 EHAFHN Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1 ZINC000004886273 210311699 /nfs/dbraw/zinc/31/16/99/210311699.db2.gz DTFOSUNUSLBGHY-AYHJJNSGSA-N 0 3 339.439 3.905 3 0 EHAFHN Clc1cccc(CN2CC[C@H](Nc3ccc4n[nH]cc4c3)C2)c1 ZINC000028642177 581098797 /nfs/dbraw/zinc/09/87/97/581098797.db2.gz DBLHWYWZXQGUJM-KRWDZBQOSA-N 0 3 326.831 3.903 1 0 EHAFHN Cc1cc(N)c2cc(NC(=O)Cc3ccccc3Cl)ccc2n1 ZINC000103236333 219273183 /nfs/dbraw/zinc/27/31/83/219273183.db2.gz KUWITRRRTWJWEH-UHFFFAOYSA-N 0 3 325.799 3.960 1 0 EHAFHN CO[C@H]1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000040430808 213304024 /nfs/dbraw/zinc/30/40/24/213304024.db2.gz ORJHMTAOZUCXLX-MRXNPFEDSA-N 0 3 335.494 3.846 1 0 EHAFHN Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 ZINC000066251025 215027166 /nfs/dbraw/zinc/02/71/66/215027166.db2.gz IWWVNZMWWFNPCJ-UHFFFAOYSA-N 0 3 342.512 3.968 1 0 EHAFHN O=C(O[C@H]1CN2CCC1CC2)C1(c2ccccc2)CCCCCC1 ZINC000103278245 219281460 /nfs/dbraw/zinc/28/14/60/219281460.db2.gz VOWQGVADNCNFKU-IBGZPJMESA-N 0 3 327.468 3.916 1 0 EHAFHN O=c1oc2ccccc2n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000040407008 213300117 /nfs/dbraw/zinc/30/01/17/213300117.db2.gz GTMAVONEYLGFNB-UHFFFAOYSA-N 0 3 340.398 3.646 1 0 EHAFHN Clc1ccc2c(c1)N=C(N1CCNCC1)C(c1ccccc1)=CC2 ZINC000049918261 214035763 /nfs/dbraw/zinc/03/57/63/214035763.db2.gz ZLAGHHVEVSXWFG-UHFFFAOYSA-N 0 3 337.854 3.915 1 0 EHAFHN Cc1noc(C)c1CCN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000020917089 212188645 /nfs/dbraw/zinc/18/86/45/212188645.db2.gz KLUUBMWYZSKGMG-QGZVFWFLSA-N 0 3 328.391 3.686 1 0 EHAFHN Fc1ccccc1OC1CCN(CCn2cc3ccccc3n2)CC1 ZINC000020536171 212144968 /nfs/dbraw/zinc/14/49/68/212144968.db2.gz MQLIUAPSOBTKTM-UHFFFAOYSA-N 0 3 339.414 3.719 1 0 EHAFHN CN(C)C[C@H]1C[C@@H]2c3cc(F)ccc3Cc3ccc(F)cc3N2O1 ZINC000003965841 210095623 /nfs/dbraw/zinc/09/56/23/210095623.db2.gz GEDGEGJCGBTAON-VQIMIIECSA-N 0 3 330.378 3.682 1 0 EHAFHN OCC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000066258250 215028662 /nfs/dbraw/zinc/02/86/62/215028662.db2.gz GQRRDQRVRCFGJQ-FQEVSTJZSA-N 0 3 341.426 3.771 1 0 EHAFHN C[C@H]1CN2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000052971540 132186148 /nfs/dbraw/zinc/18/61/48/132186148.db2.gz SQRKIMSOSQTNKG-UCNVEGJOSA-N 0 3 336.479 3.881 1 0 EHAFHN CN1CC[C@@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1 ZINC000007999005 560206688 /nfs/dbraw/zinc/20/66/88/560206688.db2.gz LEPBHAAYNPPRRA-CVDCTZTESA-N 0 3 344.458 3.929 3 0 in-vitro EHAFHN O[C@@]1(c2ccc(-c3cnc4ccccc4c3)cc2)CN2CCC1CC2 ZINC000003807998 210075829 /nfs/dbraw/zinc/07/58/29/210075829.db2.gz VQXSFCKXYIQZNX-JOCHJYFZSA-N 0 3 330.431 3.815 1 0 EHAFHN O=C1Nc2ccccc2[C@H]1CCCCN1CCN(c2ccccc2)CC1 ZINC000072123327 216014777 /nfs/dbraw/zinc/01/47/77/216014777.db2.gz LYGQIGIJXNWACG-HXUWFJFHSA-N 0 3 349.478 3.715 1 0 EHAFHN CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)cc(F)c21 ZINC000073277644 216372648 /nfs/dbraw/zinc/37/26/48/216372648.db2.gz ZSHIRWDFKXBDDI-UHFFFAOYSA-N 0 3 346.475 3.639 1 0 EHAFHN CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](CC)N2 ZINC000006412092 210631949 /nfs/dbraw/zinc/63/19/49/210631949.db2.gz PSTKHBSTRDODOT-GFCCVEGCSA-N 0 3 339.399 3.557 1 0 EHAFHN CCC(CC)Sc1nc2cc(N3CCNCC3)c(Cl)cc2[nH]1 ZINC000000003308 521598853 /nfs/dbraw/zinc/59/88/53/521598853.db2.gz IREAFUQXIISQHN-UHFFFAOYSA-N 0 3 338.908 3.907 1 0 EHAFHN CCC(CC)Sc1nc2cc(Cl)c(N3CCNCC3)cc2[nH]1 ZINC000000003308 521598861 /nfs/dbraw/zinc/59/88/61/521598861.db2.gz IREAFUQXIISQHN-UHFFFAOYSA-N 0 3 338.908 3.907 1 0 EHAFHN CN(C)C[C@@H]1C[C@H]2c3cc(F)ccc3Cc3ccc(F)cc3N2O1 ZINC000004631553 210235354 /nfs/dbraw/zinc/23/53/54/210235354.db2.gz GEDGEGJCGBTAON-LPHOPBHVSA-N 0 3 330.378 3.682 1 0 EHAFHN Clc1ccc(C2=CCc3ccccc3N=C2N2CCNCC2)cc1 ZINC000040639441 213363068 /nfs/dbraw/zinc/36/30/68/213363068.db2.gz CTVHQADQHSBNRH-UHFFFAOYSA-N 0 3 337.854 3.915 1 0 EHAFHN C[C@H](N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1Cl ZINC000001655281 209775135 /nfs/dbraw/zinc/77/51/35/209775135.db2.gz YCLYRNDXVSQENG-VIFPVBQESA-N 0 3 331.828 3.902 1 0 EHAFHN Cc1ccc2c(cccc2N2CCN(CCc3ccccc3)CC2)n1 ZINC000053296649 132187320 /nfs/dbraw/zinc/18/73/20/132187320.db2.gz COFUCLYMHVADFL-UHFFFAOYSA-N 0 3 331.463 3.908 1 0 EHAFHN CC(C(=O)O[C@@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 ZINC000003642692 210069899 /nfs/dbraw/zinc/06/98/99/210069899.db2.gz WOPPGGGGQFNBFL-HXUWFJFHSA-N 0 3 335.447 3.630 1 0 EHAFHN Nc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000039320429 213233709 /nfs/dbraw/zinc/23/37/09/213233709.db2.gz NQVMPEIZFUFAOK-UHFFFAOYSA-N 0 3 328.213 3.943 1 0 EHAFHN Fc1ccc(Cn2c3ccccc3nc2[C@H]2CNCCS2)cc1 ZINC000073223427 216367414 /nfs/dbraw/zinc/36/74/14/216367414.db2.gz SWFSQSZMVIJILA-QGZVFWFLSA-N 0 3 327.428 3.601 1 0 EHAFHN Cc1nc(C)c(CCN2CCC(Oc3ccccc3F)CC2)s1 ZINC000019745755 212059980 /nfs/dbraw/zinc/05/99/80/212059980.db2.gz PEVUSTAKROWEMY-UHFFFAOYSA-N 0 3 334.460 3.985 1 0 EHAFHN Cc1cccc(-c2ncc(CN[C@H]3COc4ccccc4C3)cn2)c1 ZINC000019743015 212059831 /nfs/dbraw/zinc/05/98/31/212059831.db2.gz WNKSDYLFHZLCNS-LJQANCHMSA-N 0 3 331.419 3.545 1 0 EHAFHN COc1cccc(-c2n[nH]c3c2CN(CCc2ccccc2)CC3)c1 ZINC000012306677 211340928 /nfs/dbraw/zinc/34/09/28/211340928.db2.gz BHYILAGCOGEINJ-UHFFFAOYSA-N 0 3 333.435 3.686 1 0 EHAFHN COc1ccc(CN2C[C@H]3CCC[C@@H]2CN3Cc2ccccc2)cc1 ZINC000103290065 219284210 /nfs/dbraw/zinc/28/42/10/219284210.db2.gz GMUOMGSEWQGKDD-NHCUHLMSSA-N 0 3 336.479 3.934 1 0 EHAFHN Fc1ccccc1CN1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000011938453 211271235 /nfs/dbraw/zinc/27/12/35/211271235.db2.gz KQYLMRCYVHNSKW-OAQYLSRUSA-N 0 3 339.458 3.709 1 0 EHAFHN Cc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1 ZINC000066259248 215028147 /nfs/dbraw/zinc/02/81/47/215028147.db2.gz RSCFKVDDYPFZTI-UHFFFAOYSA-N 0 3 342.512 3.968 1 0 EHAFHN O=c1oc2ccc(OCc3ccccc3)cc2cc1CN1CCCC1 ZINC000103271308 219280040 /nfs/dbraw/zinc/28/00/40/219280040.db2.gz FXXANWSDYLOLFN-UHFFFAOYSA-N 0 3 335.403 3.968 1 0 EHAFHN CCNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 ZINC000036520170 213099691 /nfs/dbraw/zinc/09/96/91/213099691.db2.gz PPAYECJLTZWNMN-UHFFFAOYSA-N 0 3 327.355 3.621 1 0 EHAFHN COc1cccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1 ZINC000103236407 219273452 /nfs/dbraw/zinc/27/34/52/219273452.db2.gz KOFGJWPCYUALFK-UHFFFAOYSA-N 0 3 335.407 3.705 1 0 EHAFHN C[C@@H](Nc1[nH]cc(C(N)=O)c2nc3ccc(F)cc3c1-2)C(C)(C)C ZINC000072123245 216014957 /nfs/dbraw/zinc/01/49/57/216014957.db2.gz IIQLKSGKWYUBGL-SECBINFHSA-N 0 3 328.391 3.801 1 0 EHAFHN C[C@@H](Nc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c21)C(C)(C)C ZINC000072123245 216014959 /nfs/dbraw/zinc/01/49/59/216014959.db2.gz IIQLKSGKWYUBGL-SECBINFHSA-N 0 3 328.391 3.801 1 0 EHAFHN Cc1cccc(-c2ncc(CN[C@@H]3COc4ccccc4C3)cn2)c1 ZINC000019743013 212060422 /nfs/dbraw/zinc/06/04/22/212060422.db2.gz WNKSDYLFHZLCNS-IBGZPJMESA-N 0 3 331.419 3.545 1 0 EHAFHN Cc1cc2cccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)c2o1 ZINC000019743115 212060056 /nfs/dbraw/zinc/06/00/56/212060056.db2.gz MCWRYUWOTQMHNS-UHFFFAOYSA-N 0 3 346.390 3.807 1 0 EHAFHN O=C(C1CC1)N1C[C@@H]2N[C@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101657 219091742 /nfs/dbraw/zinc/09/17/42/219091742.db2.gz YQMHWNTUAGBBRU-OWZSKUSTSA-N 0 3 344.458 3.533 1 0 EHAFHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004057413 210108421 /nfs/dbraw/zinc/10/84/21/210108421.db2.gz RTKLGPKHHCHQMK-CQSZACIVSA-N 0 3 337.423 3.504 3 0 EHAFHN COc1ccc2nc(NCc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000040897130 213398693 /nfs/dbraw/zinc/39/86/93/213398693.db2.gz KSNHCWSTMZZPQQ-UHFFFAOYSA-N 0 3 331.759 3.566 1 0 EHAFHN CN(C)Cc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2 ZINC000040408834 213300285 /nfs/dbraw/zinc/30/02/85/213300285.db2.gz 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ZINC000066258771 215028271 /nfs/dbraw/zinc/02/82/71/215028271.db2.gz SLVYBBMEFYHDKD-UHFFFAOYSA-N 0 3 346.475 3.799 1 0 EHAFHN Cc1cc(N)c2cc(NC(=O)c3ccc4ccccc4n3)ccc2n1 ZINC000103237087 219273348 /nfs/dbraw/zinc/27/33/48/219273348.db2.gz JGZQIJCTAZEDIP-UHFFFAOYSA-N 0 3 328.375 3.926 1 0 EHAFHN CC[C@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O ZINC000038141967 213201880 /nfs/dbraw/zinc/20/18/80/213201880.db2.gz VVHSUUHMZLJMTM-PZJWPPBQSA-N 0 3 341.426 3.889 1 0 EHAFHN COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(F)CC3)c2c1 ZINC000073166971 216359626 /nfs/dbraw/zinc/35/96/26/216359626.db2.gz HQFOEVLVJJMKHV-UHFFFAOYSA-N 0 3 342.418 3.670 1 0 EHAFHN Fc1ccc(Cn2c3ccccc3nc2[C@@H]2CNCCS2)cc1 ZINC000073223425 216366353 /nfs/dbraw/zinc/36/63/53/216366353.db2.gz SWFSQSZMVIJILA-KRWDZBQOSA-N 0 3 327.428 3.601 1 0 EHAFHN CN1CCC(=O)N([C@H](CSc2ccccc2)c2ccccc2)CC1 ZINC000012474587 211389753 /nfs/dbraw/zinc/38/97/53/211389753.db2.gz MMBVRZOCPGIYRT-LJQANCHMSA-N 0 3 340.492 3.684 3 0 EHAFHN CO[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000040878404 213395830 /nfs/dbraw/zinc/39/58/30/213395830.db2.gz IZHIOJKJMMKWEY-IBGZPJMESA-N 0 3 327.399 3.992 1 0 EHAFHN C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075256 213007008 /nfs/dbraw/zinc/00/70/08/213007008.db2.gz HUPDWIIWCCBRMP-ZHODDXKCSA-N 0 3 336.479 3.705 1 0 EHAFHN O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2ccccc2)CC1 ZINC000101446236 219127475 /nfs/dbraw/zinc/12/74/75/219127475.db2.gz LYGQIGIJXNWACG-FQEVSTJZSA-N 0 3 349.478 3.715 1 0 EHAFHN CC(=O)C[C@H]1c2ccccc2N=C(n2ccnc2)N1c1ccccc1 ZINC000103176598 219265559 /nfs/dbraw/zinc/26/55/59/219265559.db2.gz MWEJHMGQXQXWNO-IBGZPJMESA-N 0 3 330.391 3.959 1 0 EHAFHN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(CN)c2)cc1 ZINC000084709963 217634514 /nfs/dbraw/zinc/63/45/14/217634514.db2.gz RYLAQFGPKGKGAR-UHFFFAOYSA-N 0 3 341.480 3.570 1 0 EHAFHN C[C@@H]1C[C@@H]2[C@H](C1)[C@@]2(c1cccc(N)c1)N1CCN(c2ccccc2)CC1 ZINC000101511249 219129665 /nfs/dbraw/zinc/12/96/65/219129665.db2.gz 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/nfs/dbraw/zinc/29/86/25/213298625.db2.gz PNUKOPQWBFRNSA-UHFFFAOYSA-N 0 3 337.354 3.791 1 0 EHAFHN CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O ZINC000038141966 213202513 /nfs/dbraw/zinc/20/25/13/213202513.db2.gz VVHSUUHMZLJMTM-FPOVZHCZSA-N 0 3 341.426 3.889 1 0 EHAFHN CCCCN1CCC2(CC1)O[C@H](OC)c1c2cnn1-c1ccccc1 ZINC000029055973 212649844 /nfs/dbraw/zinc/64/98/44/212649844.db2.gz VJKLIZVDVSRNBX-IBGZPJMESA-N 0 3 341.455 3.639 1 0 EHAFHN CN(C)C1CN([C@@H]2c3ccccc3CCc3ccc(Cl)cc32)C1 ZINC000019368340 212022274 /nfs/dbraw/zinc/02/22/74/212022274.db2.gz JULUTFWMVADLBK-HXUWFJFHSA-N 0 3 326.871 3.774 1 0 EHAFHN COc1ccc(-c2c3nc(N)n(C)c3cc3cc(OC)c(O)cc32)cc1 ZINC000101642235 219150888 /nfs/dbraw/zinc/15/08/88/219150888.db2.gz LWHVSHIPEZJGGL-UHFFFAOYSA-N 0 3 349.390 3.529 1 0 EHAFHN Cc1cc(N)c2cc(NC(=O)c3cc4ccccc4cn3)ccc2n1 ZINC000103224706 219272367 /nfs/dbraw/zinc/27/23/67/219272367.db2.gz IXLCFCNNNMLJGB-UHFFFAOYSA-N 0 3 328.375 3.926 1 0 EHAFHN COc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 ZINC000103236377 219273536 /nfs/dbraw/zinc/27/35/36/219273536.db2.gz KVOKJFRUAUXLHL-UHFFFAOYSA-N 0 3 335.407 3.705 1 0 EHAFHN O=c1sc2cc(CCC[18F])ccc2n1CCN1CCCCCC1 ZINC000103069520 219252162 /nfs/dbraw/zinc/25/21/62/219252162.db2.gz DNGYIBDXSUNKMV-AWDFDDCISA-N 0 3 335.479 3.841 1 0 EHAFHN O=c1c(-c2ccccc2)nccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013488432 211566374 /nfs/dbraw/zinc/56/63/74/211566374.db2.gz OCWVGZOWVIJLAB-HXUWFJFHSA-N 0 3 345.446 3.596 1 0 EHAFHN OC[C@]1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1 ZINC000011706888 211238045 /nfs/dbraw/zinc/23/80/45/211238045.db2.gz RRCSZSGBLAYNSV-INIZCTEOSA-N 0 3 333.369 3.785 3 0 EHAFHN COc1cc2c(cc1OC)[C@@H](C[C@@H](O)c1ccc(Cl)cc1)NCC2 ZINC000028525309 212622511 /nfs/dbraw/zinc/62/25/11/212622511.db2.gz PWAWBYGMUYUAIE-IAGOWNOFSA-N 0 3 347.842 3.668 1 0 EHAFHN O[C@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCC1CC2 ZINC000013757118 211631011 /nfs/dbraw/zinc/63/10/11/211631011.db2.gz PKDJSXUFSNOCDM-FQEVSTJZSA-N 0 3 336.460 3.877 1 0 EHAFHN COc1ccc2[nH]c(C(=O)Nc3ccc4nc(C)cc(N)c4c3)cc2c1 ZINC000103237092 219273376 /nfs/dbraw/zinc/27/33/76/219273376.db2.gz LFUWVWQSTXWMLN-UHFFFAOYSA-N 0 3 346.390 3.868 1 0 EHAFHN CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CNCC2 ZINC000036381551 213092522 /nfs/dbraw/zinc/09/25/22/213092522.db2.gz BBMVEWGZHZDJKB-UHFFFAOYSA-N 0 3 329.450 3.629 1 0 EHAFHN NC(=O)c1c[nH]c(NC2CCCCC2)c2c3cc(F)ccc3nc1-2 ZINC000072125237 216016675 /nfs/dbraw/zinc/01/66/75/216016675.db2.gz CWIGGEHUYBKCHC-UHFFFAOYSA-N 0 3 326.375 3.699 1 0 EHAFHN NC(=O)c1cnc(NC2CCCCC2)c2c3cc(F)ccc3[nH]c21 ZINC000072125237 216016677 /nfs/dbraw/zinc/01/66/77/216016677.db2.gz CWIGGEHUYBKCHC-UHFFFAOYSA-N 0 3 326.375 3.699 1 0 EHAFHN Cc1[nH]nc2nc3c(C)cc(Cl)cc3c(CN3CCCOCC3)c12 ZINC000073164501 216359948 /nfs/dbraw/zinc/35/99/48/216359948.db2.gz WNNSIEODSKVDRW-UHFFFAOYSA-N 0 3 344.846 3.604 1 0 EHAFHN COc1ccccc1/C=C/C(=O)Nc1ccc2nc(C)cc(N)c2c1 ZINC000103236430 219273420 /nfs/dbraw/zinc/27/34/20/219273420.db2.gz RIQJMJBCFFXAJI-JXMROGBWSA-N 0 3 333.391 3.786 1 0 EHAFHN C[C@H]1CN2C[C@@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075245 213006664 /nfs/dbraw/zinc/00/66/64/213006664.db2.gz HUPDWIIWCCBRMP-UHVFKWDWSA-N 0 3 336.479 3.705 1 0 EHAFHN O=C(O[C@H]1CN2CCC1CC2)C1(c2cccs2)CCCCCC1 ZINC000103279958 219281946 /nfs/dbraw/zinc/28/19/46/219281946.db2.gz IIGOBGCDNPRZDU-INIZCTEOSA-N 0 3 333.497 3.978 1 0 EHAFHN CNCc1cc(C(N)=O)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000040379958 213294681 /nfs/dbraw/zinc/29/46/81/213294681.db2.gz SVWCQZXWJWYSJD-UHFFFAOYSA-N 0 3 325.195 3.604 1 0 EHAFHN C[C@@H]1CC[C@@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000040520198 213332658 /nfs/dbraw/zinc/33/26/58/213332658.db2.gz QHSLZSOMQYGRSK-ZOCZFRKYSA-N 0 3 337.467 3.526 1 0 EHAFHN CN(C)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 ZINC000036520166 213099683 /nfs/dbraw/zinc/09/96/83/213099683.db2.gz ONFSOQGBCJODIS-UHFFFAOYSA-N 0 3 327.355 3.573 1 0 EHAFHN COc1ccsc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 ZINC000103236342 219273875 /nfs/dbraw/zinc/27/38/75/219273875.db2.gz 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/nfs/dbraw/zinc/29/49/86/213294986.db2.gz ICVLUXYJYVIBNP-SFHVURJKSA-N 0 3 327.424 3.571 1 0 EHAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccncn1 ZINC000036160951 213074815 /nfs/dbraw/zinc/07/48/15/213074815.db2.gz SHEWZMZBEABHCY-UHFFFAOYSA-N 0 3 347.397 3.659 1 0 EHAFHN COc1ccc([C@@H]2CNCc3c(Cl)c(OC)c(OC)cc32)cc1 ZINC000039374470 213236549 /nfs/dbraw/zinc/23/65/49/213236549.db2.gz ASTZOHOPHLUSBX-AWEZNQCLSA-N 0 3 333.815 3.601 1 0 EHAFHN CN(C)C1CN([C@H]2c3ccccc3CCc3ccc(Cl)cc32)C1 ZINC000019368338 212023309 /nfs/dbraw/zinc/02/33/09/212023309.db2.gz JULUTFWMVADLBK-FQEVSTJZSA-N 0 3 326.871 3.774 1 0 EHAFHN OC[C@@]1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1 ZINC000011706878 211238353 /nfs/dbraw/zinc/23/83/53/211238353.db2.gz RRCSZSGBLAYNSV-MRXNPFEDSA-N 0 3 333.369 3.785 3 0 EHAFHN Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21 ZINC000045354596 132420735 /nfs/dbraw/zinc/42/07/35/132420735.db2.gz HNSZXWWGMZAANA-QGZVFWFLSA-N 0 3 343.858 3.601 1 0 EHAFHN CN1CCC[C@H]1COc1cnc(Cl)c(/C=C/c2ccncc2)c1 ZINC000003827490 210077825 /nfs/dbraw/zinc/07/78/25/210077825.db2.gz RWKPRGCPWHRQIL-APHBUQMISA-N 0 3 329.831 3.773 1 0 in-vitro EHAFHN CC1(C)NCCc2c3ccc(S(=O)(=O)c4ccccc4)cc3oc21 ZINC000073223875 216367013 /nfs/dbraw/zinc/36/70/13/216367013.db2.gz UJGWKHGEWIJNQV-UHFFFAOYSA-N 0 3 341.432 3.646 1 0 EHAFHN O=C1c2ccc(NCCN3CCCC3)cc2-c2nccc3cccc1c32 ZINC000073311227 216377342 /nfs/dbraw/zinc/37/73/42/216377342.db2.gz JRWKFHNYNRFFOO-UHFFFAOYSA-N 0 3 343.430 3.954 1 0 EHAFHN CN1CCCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 ZINC000022778615 212323563 /nfs/dbraw/zinc/32/35/63/212323563.db2.gz MTLBWLDYHWAFEN-MRXNPFEDSA-N 0 3 347.915 3.985 1 0 EHAFHN FC1(F)CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832273 214033868 /nfs/dbraw/zinc/03/38/68/214033868.db2.gz BCASBMRZFILCPE-ZWKOTPCHSA-N 0 3 345.389 3.690 1 0 EHAFHN