smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(=O)[nH]nc1[C@@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000067755022 215202984 /nfs/dbraw/zinc/20/29/84/215202984.db2.gz QHLZGEMXSKRSQT-MRXNPFEDSA-N 0 3 344.459 2.596 50 0 EFAAHN Cc1ncc2c(c1-c1noc(CCc3cccs3)n1)CCNC2 ZINC000019221537 202001771 /nfs/dbraw/zinc/00/17/71/202001771.db2.gz LTLDHZCBKUFCNA-UHFFFAOYSA-N 0 3 326.425 2.932 50 0 EFAAHN CCOc1ccc(N2C(=O)C[C@H](N[C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019533477 202010651 /nfs/dbraw/zinc/01/06/51/202010651.db2.gz LEFMFIUYTZNGGI-JQFCIGGWSA-N 0 3 330.428 2.886 50 0 EFAAHN OCC[C@H]1CN(C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000019720637 202016502 /nfs/dbraw/zinc/01/65/02/202016502.db2.gz HTDXJHQMXHLLLF-SFHVURJKSA-N 0 3 338.492 2.590 50 0 EFAAHN O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000019782519 202020277 /nfs/dbraw/zinc/02/02/77/202020277.db2.gz QQPSIMCQRQXJSW-MRXNPFEDSA-N 0 3 328.799 2.804 50 0 EFAAHN CN(CCN1CCCCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000019792599 202021475 /nfs/dbraw/zinc/02/14/75/202021475.db2.gz JJYSTMWIMCMRIW-UHFFFAOYSA-N 0 3 332.423 2.717 50 0 EFAAHN COC(=O)c1cccc(CCN2CCN(Cc3ccccc3)CC2)c1 ZINC000019802350 202021873 /nfs/dbraw/zinc/02/18/73/202021873.db2.gz QSMCUEYNVUETBH-UHFFFAOYSA-N 0 3 338.451 2.834 50 0 EFAAHN COc1ccc(OCC(=O)N2CCN([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000019841982 202023286 /nfs/dbraw/zinc/02/32/86/202023286.db2.gz SKUSXVFPLNSWDB-APWZRJJASA-N 0 3 346.471 2.797 50 0 EFAAHN CNc1ncccc1CN1CCC(Cn2cc(C(C)(C)C)nn2)CC1 ZINC000019853335 202023917 /nfs/dbraw/zinc/02/39/17/202023917.db2.gz ZJHZSANCRFHHJJ-UHFFFAOYSA-N 0 3 342.491 2.925 50 0 EFAAHN Cc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019841919 202024545 /nfs/dbraw/zinc/02/45/45/202024545.db2.gz PSSBCZKPPVJWCN-QYZOEREBSA-N 0 3 340.467 2.730 50 0 EFAAHN CN1CCN(CCCCOc2cccc(Br)c2)CC1 ZINC000020118068 202032532 /nfs/dbraw/zinc/03/25/32/202032532.db2.gz DTZNQXCKEWVBBK-UHFFFAOYSA-N 0 3 327.266 2.856 50 0 EFAAHN CN1CCCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000020219059 202034800 /nfs/dbraw/zinc/03/48/00/202034800.db2.gz PQSJWVGENCUNJD-UHFFFAOYSA-N 0 3 340.349 2.893 50 0 EFAAHN OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCC1 ZINC000020271877 202037005 /nfs/dbraw/zinc/03/70/05/202037005.db2.gz PSTIOJFSAOTWCU-INIZCTEOSA-N 0 3 346.500 2.503 50 0 EFAAHN O=C(Cc1c(O)nc2[nH]c3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000020102365 202031174 /nfs/dbraw/zinc/03/11/74/202031174.db2.gz RHHJEHSHTWKTOS-AWEZNQCLSA-N 0 3 340.770 2.866 50 0 EFAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)cc1 ZINC000020102365 202031178 /nfs/dbraw/zinc/03/11/78/202031178.db2.gz RHHJEHSHTWKTOS-AWEZNQCLSA-N 0 3 340.770 2.866 50 0 EFAAHN COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1OC ZINC000020540308 202047959 /nfs/dbraw/zinc/04/79/59/202047959.db2.gz IUMQWKYMEVIVEF-SFHVURJKSA-N 0 3 348.487 2.515 50 0 EFAAHN CN(Cc1cnn(C)c1)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000020539787 202048157 /nfs/dbraw/zinc/04/81/57/202048157.db2.gz MYLMLKJTNSTWGS-KRWDZBQOSA-N 0 3 344.478 2.946 50 0 EFAAHN CCOc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000020536270 202048180 /nfs/dbraw/zinc/04/81/80/202048180.db2.gz FCEMOMJUSIMXON-IBGZPJMESA-N 0 3 332.488 2.897 50 0 EFAAHN CC(C)CN1CCN(Cc2ccc(OC(F)F)cc2)C[C@@H]1CCO ZINC000020363707 202039788 /nfs/dbraw/zinc/03/97/88/202039788.db2.gz PNZPOJMRCHYLKU-INIZCTEOSA-N 0 3 342.430 2.813 50 0 EFAAHN Cc1cc(CN2CCC(Cn3cc(C4CCCC4)nn3)CC2)n[nH]1 ZINC000020599806 202050452 /nfs/dbraw/zinc/05/04/52/202050452.db2.gz RPYNIWAPTTZIRD-UHFFFAOYSA-N 0 3 328.464 2.879 50 0 EFAAHN CC(C)(C)CN1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO ZINC000020907765 202058100 /nfs/dbraw/zinc/05/81/00/202058100.db2.gz LMLVOUMSRFXBLR-AWEZNQCLSA-N 0 3 326.431 2.880 50 0 EFAAHN COc1ccc(CN2CCN(CC(C)C)C[C@@H]2CCO)c(C)c1C ZINC000020911857 202058309 /nfs/dbraw/zinc/05/83/09/202058309.db2.gz GROSRWYDWQZNSW-IBGZPJMESA-N 0 3 334.504 2.837 50 0 EFAAHN Fc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1 ZINC000020917300 202058631 /nfs/dbraw/zinc/05/86/31/202058631.db2.gz AABNQHOWTYITOP-UHFFFAOYSA-N 0 3 332.463 2.902 50 0 EFAAHN CCc1nc(C)c(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)[nH]1 ZINC000020905650 202058699 /nfs/dbraw/zinc/05/86/99/202058699.db2.gz OXQVEPRNOJEWPL-SFHVURJKSA-N 0 3 348.535 2.729 50 0 EFAAHN Cc1cc(C)n([C@H](C)c2nc(-c3c(C)ncc4c3CCNC4)no2)n1 ZINC000020993197 202059493 /nfs/dbraw/zinc/05/94/93/202059493.db2.gz KQZXMWIPUCOXTH-CYBMUJFWSA-N 0 3 338.415 2.508 50 0 EFAAHN NC(=O)C1CCN(Cc2c[nH]nc2-c2cccc3ccccc32)CC1 ZINC000020999839 202061034 /nfs/dbraw/zinc/06/10/34/202061034.db2.gz OCTVNFFOIUVUNY-UHFFFAOYSA-N 0 3 334.423 2.927 50 0 EFAAHN CC(=O)c1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 ZINC000022919121 202094942 /nfs/dbraw/zinc/09/49/42/202094942.db2.gz UWPRIKQULIUDOH-FQEVSTJZSA-N 0 3 330.472 2.700 50 0 EFAAHN COC(=O)C[C@@H](c1c(O)ncc(C(=O)OC)c1O)C1CCCCC1 ZINC000252489158 291112831 /nfs/dbraw/zinc/11/28/31/291112831.db2.gz JIKCHNCMGLWWPH-LLVKDONJSA-N 0 3 337.372 2.506 50 0 biogenic EFAAHN CCCn1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c(C)n1 ZINC000023128570 202098774 /nfs/dbraw/zinc/09/87/74/202098774.db2.gz FIDWVZVRZUXDAP-FQEVSTJZSA-N 0 3 348.535 2.803 50 0 EFAAHN COc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)c(F)c1 ZINC000023374760 202103192 /nfs/dbraw/zinc/10/31/92/202103192.db2.gz GFNDLQUQTWTREO-INIZCTEOSA-N 0 3 338.467 2.749 50 0 EFAAHN COCCNC(=O)CCC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000012575975 202154081 /nfs/dbraw/zinc/15/40/81/202154081.db2.gz XERGASWVPAYESP-UHFFFAOYSA-N 0 3 343.471 2.923 50 0 EFAAHN Cc1c(C)n(C[C@H](O)CN2CCN(C)CC2)c2c1cccc2Cl ZINC000028296735 202169710 /nfs/dbraw/zinc/16/97/10/202169710.db2.gz JFXPTKAKYXPXSM-OAHLLOKOSA-N 0 3 335.879 2.520 50 0 EFAAHN CCCN(c1ncnc2sc3c(c21)CCNC3)[C@@H]1CCCC[C@H]1O ZINC000065371456 283308623 /nfs/dbraw/zinc/30/86/23/283308623.db2.gz RTAYTPHCAZJVBJ-ZIAGYGMSSA-N 0 3 346.500 2.857 50 0 EFAAHN O=C(CCN1CCC[C@H](c2cc[nH]n2)C1)NCc1ccccc1Cl ZINC000072270772 202359859 /nfs/dbraw/zinc/35/98/59/202359859.db2.gz IZQPDBMAHNXKNC-HNNXBMFYSA-N 0 3 346.862 2.949 50 0 EFAAHN C[C@H](C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1)[NH+]1CCCC1 ZINC000072432040 216226001 /nfs/dbraw/zinc/22/60/01/216226001.db2.gz ZIHVUZKOFVCQNL-CQSZACIVSA-N 0 3 334.435 2.797 50 0 EFAAHN O[C@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000222199830 201033676 /nfs/dbraw/zinc/03/36/76/201033676.db2.gz GFEUQYIYJZZJDC-SUMWQHHRSA-N 0 3 333.382 2.827 50 0 EFAAHN COc1c(CNC2CCN(Cc3ccc(F)cc3)CC2)c(C)nn1C ZINC000058343014 201140901 /nfs/dbraw/zinc/14/09/01/201140901.db2.gz MMXRTALSPZBLOQ-UHFFFAOYSA-N 0 3 346.450 2.630 50 0 EFAAHN COc1c(CNCC2(c3cccc(F)c3)CCOCC2)c(C)nn1C ZINC000058329526 201141556 /nfs/dbraw/zinc/14/15/56/201141556.db2.gz VLVSDPGKHVELPT-UHFFFAOYSA-N 0 3 347.434 2.714 50 0 EFAAHN O=C1C[C@@H](NCCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000100629 201434168 /nfs/dbraw/zinc/43/41/68/201434168.db2.gz YRNOTNUMPVVDCG-MRXNPFEDSA-N 0 3 346.789 2.943 50 0 EFAAHN Cc1ccc(N2C(=O)C[C@H](NCCc3cccc(F)c3)C2=O)cc1 ZINC000000183076 201445523 /nfs/dbraw/zinc/44/55/23/201445523.db2.gz BDTPMGCPGHAZIU-KRWDZBQOSA-N 0 3 326.371 2.598 50 0 EFAAHN Cc1ccc(-c2cccc(CN3CCN4CCN(C)C[C@@H]4C3)c2)o1 ZINC000215026746 241102778 /nfs/dbraw/zinc/10/27/78/241102778.db2.gz OHZWGVCSUJRNBN-LJQANCHMSA-N 0 3 325.456 2.687 50 0 EFAAHN Cc1cccnc1C[C@@H](C)N(C)Cc1cnc(N2CCOCC2)s1 ZINC000215127345 241107317 /nfs/dbraw/zinc/10/73/17/241107317.db2.gz YCRSESILZAJFIT-OAHLLOKOSA-N 0 3 346.500 2.746 50 0 EFAAHN CC(C)c1ncc(CN2CCC([C@@H](C)N3CCOCC3)CC2)cn1 ZINC000215166549 241110727 /nfs/dbraw/zinc/11/07/27/241110727.db2.gz YGXPBKLJRSPMSV-MRXNPFEDSA-N 0 3 332.492 2.533 50 0 EFAAHN COC1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)CC1 ZINC000215250534 241115108 /nfs/dbraw/zinc/11/51/08/241115108.db2.gz NOKASXJJUZBRAN-UHFFFAOYSA-N 0 3 334.460 2.591 50 0 EFAAHN CCN(Cc1ccc(-c2cc[nH]n2)o1)C[C@H](O)c1cccc(O)c1 ZINC000215280175 241117381 /nfs/dbraw/zinc/11/73/81/241117381.db2.gz ORTAYVHEMLOZBM-KRWDZBQOSA-N 0 3 327.384 2.931 50 0 EFAAHN Cc1cc(C)n2ncc(CN3CCN(C4CCCCC4)CC3)c2n1 ZINC000215317241 241119522 /nfs/dbraw/zinc/11/95/22/241119522.db2.gz AIVDEDUGRAKQTE-UHFFFAOYSA-N 0 3 327.476 2.796 50 0 EFAAHN CN1C[C@H]2CC[C@H](CN2C(=O)c2cc(-n3cccn3)ccc2Cl)C1 ZINC000215727603 241140284 /nfs/dbraw/zinc/14/02/84/241140284.db2.gz REEMSIJEBBFWLO-DZGCQCFKSA-N 0 3 344.846 2.692 50 0 EFAAHN Cc1noc(C)c1CN1CCCN(C2Cc3ccccc3C2)CC1 ZINC000215964151 241157020 /nfs/dbraw/zinc/15/70/20/241157020.db2.gz HIBFJBYKVRKZBY-UHFFFAOYSA-N 0 3 325.456 2.967 50 0 EFAAHN COCCN(C(=O)c1[nH]c2c(cccc2F)c1C)C1CCN(C)CC1 ZINC000216160305 241170724 /nfs/dbraw/zinc/17/07/24/241170724.db2.gz CAKGIOCQAZTYJR-UHFFFAOYSA-N 0 3 347.434 2.798 50 0 EFAAHN CN(Cc1cccc(OCc2ccccn2)c1)C[C@H]1COCCO1 ZINC000215448938 241124518 /nfs/dbraw/zinc/12/45/18/241124518.db2.gz FIRVUNFEGRTMMI-IBGZPJMESA-N 0 3 328.412 2.508 50 0 EFAAHN CC[C@@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1ccnn1C ZINC000218970281 241355497 /nfs/dbraw/zinc/35/54/97/241355497.db2.gz QJWQUUZGIONRGI-QGZVFWFLSA-N 0 3 340.471 2.651 50 0 EFAAHN O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCC[C@@H](O)C1 ZINC000219470801 241388683 /nfs/dbraw/zinc/38/86/83/241388683.db2.gz ZELVDVGIKTWNCH-RBUKOAKNSA-N 0 3 330.472 2.533 50 0 EFAAHN CN(C)[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000002621380 201537856 /nfs/dbraw/zinc/53/78/56/201537856.db2.gz MPUWVYOSMLOBGW-QGZVFWFLSA-N 0 3 336.391 2.826 50 0 EFAAHN CC(C)(CO)NCc1ccccc1OCC(=O)Nc1ccccc1 ZINC000004258162 201595548 /nfs/dbraw/zinc/59/55/48/201595548.db2.gz GPGOBHNXOJZYLA-UHFFFAOYSA-N 0 3 328.412 2.565 50 0 EFAAHN COc1ccc(NC(=O)CCN(C)C[C@H]2CCCCO2)c(OC)c1 ZINC000244707794 243062017 /nfs/dbraw/zinc/06/20/17/243062017.db2.gz KHRNUTCOGREZHO-OAHLLOKOSA-N 0 3 336.432 2.533 50 0 EFAAHN c1ccc(CCN2CCC(c3nnc4n3CCCCC4)CC2)nc1 ZINC000243919506 243033306 /nfs/dbraw/zinc/03/33/06/243033306.db2.gz BOJYSFYRHGUZOW-UHFFFAOYSA-N 0 3 325.460 2.822 50 0 EFAAHN CCCN(CC(=O)NCc1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000244764082 243075620 /nfs/dbraw/zinc/07/56/20/243075620.db2.gz PBCQADDMAKTFBV-UHFFFAOYSA-N 0 3 331.460 2.916 50 0 EFAAHN CN(Cc1ccccc1)C(=O)C1CCN(CCc2ccccn2)CC1 ZINC000244787961 243083073 /nfs/dbraw/zinc/08/30/73/243083073.db2.gz QGZFYQAXPIHLCU-UHFFFAOYSA-N 0 3 337.467 2.995 50 0 EFAAHN O=C(CN1CCCCCCC1)NC[C@@H]1CCCN(c2ccccn2)C1 ZINC000244811771 243084354 /nfs/dbraw/zinc/08/43/54/243084354.db2.gz SKVHYGOOMSMQSM-SFHVURJKSA-N 0 3 344.503 2.680 50 0 EFAAHN CCN(C(=O)CCN1CCN2CCCC[C@@H]2C1)c1ccccc1C ZINC000244883990 243096608 /nfs/dbraw/zinc/09/66/08/243096608.db2.gz YDETUFQQLWOEPH-GOSISDBHSA-N 0 3 329.488 2.908 50 0 EFAAHN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCN(C)C ZINC000065306245 202834073 /nfs/dbraw/zinc/83/40/73/202834073.db2.gz UBVBBCWPOYWWIG-UHFFFAOYSA-N 0 3 339.852 2.535 50 0 EFAAHN Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000065365032 202837221 /nfs/dbraw/zinc/83/72/21/202837221.db2.gz PZOWKAYCSWVQBN-UHFFFAOYSA-N 0 3 339.443 2.536 50 0 EFAAHN COc1cc(CNCCc2ccccc2)c(Cl)cc1OCC(N)=O ZINC000020654198 212159912 /nfs/dbraw/zinc/15/99/12/212159912.db2.gz NLNPLYYALUNZEM-UHFFFAOYSA-N 0 3 348.830 2.545 50 0 EFAAHN Cc1[nH]cnc1-c1nccn1CC1(N2CCOCC2)CCCCC1 ZINC000071497712 203098901 /nfs/dbraw/zinc/09/89/01/203098901.db2.gz CDNPYQUSXDUDOS-UHFFFAOYSA-N 0 3 329.448 2.617 50 0 EFAAHN CC(C)OCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071552198 203099754 /nfs/dbraw/zinc/09/97/54/203099754.db2.gz XQHKHOPNBNJJTI-MISYRCLQSA-N 0 3 328.456 2.500 50 0 EFAAHN c1ccc2c(c1)CCN(c1nc(-c3ccncc3)nc3c1CCNC3)C2 ZINC000071759897 203109685 /nfs/dbraw/zinc/10/96/85/203109685.db2.gz OQFPEZQQAFYSMI-UHFFFAOYSA-N 0 3 343.434 2.747 50 0 EFAAHN CC(C)c1nnc(CN(Cc2cccnc2)[C@@H]2CN3CCC2CC3)o1 ZINC000072124032 203165296 /nfs/dbraw/zinc/16/52/96/203165296.db2.gz MAFCTHKITSUOLN-QGZVFWFLSA-N 0 3 341.459 2.684 50 0 EFAAHN CNC(=O)c1cccc(-c2cc(NCCN(C)C)nc3[nH]ccc32)c1 ZINC000072126528 203165444 /nfs/dbraw/zinc/16/54/44/203165444.db2.gz YYTIYLMLALKHOT-UHFFFAOYSA-N 0 3 337.427 2.563 50 0 EFAAHN COC(=O)c1cccc(CN2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000072134659 203166445 /nfs/dbraw/zinc/16/64/45/203166445.db2.gz RHEDOLXEHDODDH-IBGZPJMESA-N 0 3 346.471 2.550 50 0 EFAAHN Cc1noc(C)c1CN(Cc1cccnc1)[C@H]1CN2CCC1CC2 ZINC000072145348 203168999 /nfs/dbraw/zinc/16/89/99/203168999.db2.gz KHWXMEPNPMXQHF-IBGZPJMESA-N 0 3 326.444 2.783 50 0 EFAAHN CCOCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072148279 203171574 /nfs/dbraw/zinc/17/15/74/203171574.db2.gz VAGCGABVKXVWNU-SFHVURJKSA-N 0 3 336.451 2.921 50 0 EFAAHN COc1ccc(F)c(CN2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072151943 203172839 /nfs/dbraw/zinc/17/28/39/203172839.db2.gz XSJNBBJZLHACMK-CYBMUJFWSA-N 0 3 331.391 2.606 50 0 EFAAHN COCCCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000072156055 203174979 /nfs/dbraw/zinc/17/49/79/203174979.db2.gz YSVDBOOQTAWJQG-MRXNPFEDSA-N 0 3 333.476 2.890 50 0 EFAAHN COc1cccc([C@@H]2CCCN(Cc3cc4n(n3)CCCNC4)C2)c1 ZINC000072163127 203177353 /nfs/dbraw/zinc/17/73/53/203177353.db2.gz RKRABVOOJZOBOX-QGZVFWFLSA-N 0 3 340.471 2.765 50 0 EFAAHN c1ccc2c(c1)CC(Nc1nc(-c3ccncc3)nc3c1CCNC3)C2 ZINC000072168361 203181668 /nfs/dbraw/zinc/18/16/68/203181668.db2.gz KPCGWQNNZXXUFD-UHFFFAOYSA-N 0 3 343.434 2.764 50 0 EFAAHN CC(C)(O)CCc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000072440552 203226046 /nfs/dbraw/zinc/22/60/46/203226046.db2.gz ZSHHQILSBPYTHS-SFHVURJKSA-N 0 3 330.472 2.700 50 0 EFAAHN OCCN(CCO)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072457966 203228109 /nfs/dbraw/zinc/22/81/09/203228109.db2.gz HIHYQDKKEYZCDP-UHFFFAOYSA-N 0 3 337.423 2.530 50 0 EFAAHN COC(=O)CCn1cc(CN2CC[C@@H](c3ccccc3F)C2)cn1 ZINC000072475485 203231092 /nfs/dbraw/zinc/23/10/92/203231092.db2.gz ABBGUXXFAXESME-OAHLLOKOSA-N 0 3 331.391 2.575 50 0 EFAAHN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CCc1cc3n(n1)CCCNC3)C2 ZINC000072480640 203232569 /nfs/dbraw/zinc/23/25/69/203232569.db2.gz ACCZMYJLFGLUAW-YLJYHZDGSA-N 0 3 344.503 2.736 50 0 EFAAHN CC(C)Oc1cccc2c1c(NC(=O)[C@H]1CCCN(C)C1)nn2C ZINC000072407672 203216299 /nfs/dbraw/zinc/21/62/99/203216299.db2.gz CQFYBDLMLYACEW-ZDUSSCGKSA-N 0 3 330.432 2.641 50 0 EFAAHN Cc1cc(CC(=O)N2CCC(N3CCc4ccccc4C3)CC2)on1 ZINC000072408873 203216583 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C[C@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N1CCOCC1 ZINC000072433903 289405559 /nfs/dbraw/zinc/40/55/59/289405559.db2.gz LFTKDLXSELEXRX-GOSISDBHSA-N 0 3 344.499 2.969 50 0 EFAAHN Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCC(C)CC3)ccc12 ZINC000001522278 301068460 /nfs/dbraw/zinc/06/84/60/301068460.db2.gz YFPSWUJBXCZZSZ-HNNXBMFYSA-N 0 3 331.412 2.573 50 0 EFAAHN Cc1ccc([C@H](CNC(=O)N2CCOCC2)N2CCC(C)CC2)cc1 ZINC000040615806 472039141 /nfs/dbraw/zinc/03/91/41/472039141.db2.gz DEOUWYOJJWZBOK-IBGZPJMESA-N 0 3 345.487 2.810 50 0 EFAAHN CCN1CCC[C@H]1CNC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000095480849 473212747 /nfs/dbraw/zinc/21/27/47/473212747.db2.gz HRHUFYDCOPJHIY-INIZCTEOSA-N 0 3 344.434 2.667 50 0 EFAAHN COc1ccc([C@@H]2CN(C(=O)NCc3ccco3)C[C@H]2N(C)C)cc1 ZINC000095497496 473213258 /nfs/dbraw/zinc/21/32/58/473213258.db2.gz FLXWHMGJJWYKQM-ZWKOTPCHSA-N 0 3 343.427 2.527 50 0 EFAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nnc(N)s1 ZINC000095499658 473213531 /nfs/dbraw/zinc/21/35/31/473213531.db2.gz 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/nfs/dbraw/zinc/28/56/32/473285632.db2.gz ATTAZWWAEQJZQH-LBPRGKRZSA-N 0 3 333.461 2.922 50 0 EFAAHN CC(C)CN1CCC[C@@H]1c1ccc(C(=O)Nc2cnn(C)n2)s1 ZINC000082039500 473286363 /nfs/dbraw/zinc/28/63/63/473286363.db2.gz ROENUCBUEMYRSL-GFCCVEGCSA-N 0 3 333.461 2.922 50 0 EFAAHN CC(C)CN1CCC[C@H]1c1ccc(C(=O)Nc2cnn(C)n2)s1 ZINC000082039501 473285471 /nfs/dbraw/zinc/28/54/71/473285471.db2.gz ROENUCBUEMYRSL-LBPRGKRZSA-N 0 3 333.461 2.922 50 0 EFAAHN COc1c(C)cnc(CN(C)[C@H]2CCOC3(CCOCC3)C2)c1C ZINC000082114990 473291309 /nfs/dbraw/zinc/29/13/09/473291309.db2.gz VSRZJQRWYCKCNC-INIZCTEOSA-N 0 3 334.460 2.867 50 0 EFAAHN Cc1ccccc1[C@@H](CNC(=O)c1cc(C(C)C)nn1C)N(C)C ZINC000082121160 473292416 /nfs/dbraw/zinc/29/24/16/473292416.db2.gz MEMLPHZZMCZKBG-GOSISDBHSA-N 0 3 328.460 2.885 50 0 EFAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NS(C)(=O)=O)CC2)s1 ZINC000082116354 473293245 /nfs/dbraw/zinc/29/32/45/473293245.db2.gz YUCUVYYNTIADLR-CQSZACIVSA-N 0 3 344.546 2.850 50 0 EFAAHN Cc1cc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)ccc1F ZINC000082136866 473294232 /nfs/dbraw/zinc/29/42/32/473294232.db2.gz HWBQHUQAIBCCCX-FQEVSTJZSA-N 0 3 348.462 2.721 50 0 EFAAHN O=C(N[C@@H]1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1 ZINC000082156350 473297542 /nfs/dbraw/zinc/29/75/42/473297542.db2.gz QDZROZUBYFBQFA-MRXNPFEDSA-N 0 3 340.427 2.732 50 0 EFAAHN Nc1ccsc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000082157525 473298316 /nfs/dbraw/zinc/29/83/16/473298316.db2.gz WZOHCADFQPPTTE-UHFFFAOYSA-N 0 3 341.480 2.646 50 0 EFAAHN COc1ccc(C)c(NC(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)c1 ZINC000096166373 473321220 /nfs/dbraw/zinc/32/12/20/473321220.db2.gz OCAQEBFIDCRUSZ-INIZCTEOSA-N 0 3 349.475 2.560 50 0 EFAAHN CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N2CCCCC2)[C@@H]1O ZINC000000293711 471343742 /nfs/dbraw/zinc/34/37/42/471343742.db2.gz HZFAZVKVQKOGJZ-WMZOPIPTSA-N 0 3 329.396 2.852 50 0 biogenic EFAAHN O[C@H](CN1c2ccccc2N2CCCN=C12)c1ccc2c(c1)OCO2 ZINC000000310891 471345611 /nfs/dbraw/zinc/34/56/11/471345611.db2.gz HZFUXWSPQMKYPC-MRXNPFEDSA-N 0 3 337.379 2.535 50 0 EFAAHN O[C@@H](CN1c2ccccc2N2CCCN=C12)c1ccc2c(c1)OCO2 ZINC000000310890 471345703 /nfs/dbraw/zinc/34/57/03/471345703.db2.gz HZFUXWSPQMKYPC-INIZCTEOSA-N 0 3 337.379 2.535 50 0 EFAAHN CCOc1ccccc1CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000000317502 471347528 /nfs/dbraw/zinc/34/75/28/471347528.db2.gz QBAKWMZJZBUHFM-SFHVURJKSA-N 0 3 346.471 2.593 50 0 EFAAHN CCOC(=O)c1ccc(NC(=S)NCCN2CCC(C)CC2)cc1 ZINC000000614286 471373982 /nfs/dbraw/zinc/37/39/82/471373982.db2.gz LRHPAGMQARBDLN-UHFFFAOYSA-N 0 3 349.500 2.882 50 0 EFAAHN CCCN1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000001460660 471392719 /nfs/dbraw/zinc/39/27/19/471392719.db2.gz BEVUEJDPJUWNHQ-UHFFFAOYSA-N 0 3 332.469 2.993 50 0 EFAAHN CC(C)N(C)CCOC(=O)c1ccccc1I ZINC000002971380 471428390 /nfs/dbraw/zinc/42/83/90/471428390.db2.gz ABLQAYIYAYIVAQ-UHFFFAOYSA-N 0 3 347.196 2.788 50 0 EFAAHN C/C(=C\c1ccccc1)CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000004725511 471471721 /nfs/dbraw/zinc/47/17/21/471471721.db2.gz ZSZULSPFNVOKBO-BMRADRMJSA-N 0 3 328.456 2.661 50 0 EFAAHN Cc1ccc(NC(=O)C[C@@H](C)CC(=O)NCCN2CCCC2)cc1 ZINC000004691113 471472103 /nfs/dbraw/zinc/47/21/03/471472103.db2.gz NCJUFUHNTIKMKY-INIZCTEOSA-N 0 3 331.460 2.562 50 0 EFAAHN CCOc1cc(CN2CCC(C(=O)N(CC)CC)CC2)ccc1O ZINC000004691622 471472450 /nfs/dbraw/zinc/47/24/50/471472450.db2.gz VSUUWZWDTNVTDW-UHFFFAOYSA-N 0 3 334.460 2.871 50 0 EFAAHN COc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1OC ZINC000004746411 471474121 /nfs/dbraw/zinc/47/41/21/471474121.db2.gz LLHWPYAVACLBDG-ZMSDIMECSA-N 0 3 344.455 2.650 50 0 EFAAHN O=C([C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)N1CCCCC1 ZINC000004746252 471474135 /nfs/dbraw/zinc/47/41/35/471474135.db2.gz XTPRYRMZFUZEGJ-MRXNPFEDSA-N 0 3 330.428 2.640 50 0 EFAAHN CCCNCc1cc(OCC)c(OCCO)cc1Br ZINC000004839226 471476812 /nfs/dbraw/zinc/47/68/12/471476812.db2.gz CUQSSYSHWWDGPU-UHFFFAOYSA-N 0 3 332.238 2.719 50 0 EFAAHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCC(N)=O ZINC000004868931 471477493 /nfs/dbraw/zinc/47/74/93/471477493.db2.gz QLGHXMKZGLHUJT-UHFFFAOYSA-N 0 3 348.830 2.811 50 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/nfs/dbraw/zinc/77/45/78/471774578.db2.gz GAAOBTHPKAIMIR-MRXNPFEDSA-N 0 3 348.512 2.717 50 0 EFAAHN CN1CCC[C@H](CN(CCc2ccccc2)C(=O)C2CCOCC2)C1 ZINC000012594935 471785207 /nfs/dbraw/zinc/78/52/07/471785207.db2.gz SBCAWARJSFCZSP-IBGZPJMESA-N 0 3 344.499 2.826 50 0 EFAAHN CC[C@]1(C)C[C@H]([C@@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 ZINC000012655397 471787868 /nfs/dbraw/zinc/78/78/68/471787868.db2.gz RMOMIOWOQMAUHS-JTDSTZFVSA-N 0 3 337.460 2.750 50 0 biogenic EFAAHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000013670438 471836855 /nfs/dbraw/zinc/83/68/55/471836855.db2.gz YEPBZVTUARYKSG-KRWDZBQOSA-N 0 3 342.480 2.900 50 0 EFAAHN O=C(CCC1CCCC1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000014973334 471884248 /nfs/dbraw/zinc/88/42/48/471884248.db2.gz XIMCCVNLIRNDMD-UHFFFAOYSA-N 0 3 349.519 2.504 50 0 EFAAHN COC[C@H]1CCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 ZINC000014968370 471884787 /nfs/dbraw/zinc/88/47/87/471884787.db2.gz OATANQXEOREMOU-KRWDZBQOSA-N 0 3 342.483 2.505 50 0 EFAAHN Cc1ccccc1NC(=O)c1cn(CCNCc2cccs2)nn1 ZINC000015009251 471885595 /nfs/dbraw/zinc/88/55/95/471885595.db2.gz IXADTJBHVKDXBE-UHFFFAOYSA-N 0 3 341.440 2.690 50 0 EFAAHN O=C(CCC1CCN(Cc2ccoc2)CC1)NCc1cccnc1 ZINC000015073318 471888085 /nfs/dbraw/zinc/88/80/85/471888085.db2.gz DVECAAMCMCKWRX-UHFFFAOYSA-N 0 3 327.428 2.983 50 0 EFAAHN Cc1ncoc1C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000015069673 471888177 /nfs/dbraw/zinc/88/81/77/471888177.db2.gz ZXGWGHUQCNWLKQ-QGZVFWFLSA-N 0 3 327.428 2.810 50 0 EFAAHN O=C(COc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000015564589 471909150 /nfs/dbraw/zinc/90/91/50/471909150.db2.gz BBXYMTWIQMVEIP-UHFFFAOYSA-N 0 3 342.414 2.985 50 0 EFAAHN CCc1noc(C)c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000016580174 471941761 /nfs/dbraw/zinc/94/17/61/471941761.db2.gz OQZGICKGZCGUDL-UHFFFAOYSA-N 0 3 327.428 2.940 50 0 EFAAHN O=C(Cc1ccc(Br)cc1)NCCN1CCCCC1 ZINC000016603765 471944235 /nfs/dbraw/zinc/94/42/35/471944235.db2.gz AOPINFCMIFSEKH-UHFFFAOYSA-N 0 3 325.250 2.594 50 0 EFAAHN CCc1ccccc1N1C(=O)C[C@H](NC2Cc3ccccc3C2)C1=O ZINC000018088175 471968650 /nfs/dbraw/zinc/96/86/50/471968650.db2.gz STAIOPZRQMLUBS-SFHVURJKSA-N 0 3 334.419 2.638 50 0 EFAAHN COc1cc(CN2CCN(C3CCCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020542926 471990719 /nfs/dbraw/zinc/99/07/19/471990719.db2.gz ZSKZHQFIZUCABF-SFHVURJKSA-N 0 3 348.487 2.515 50 0 EFAAHN CCNc1cc(NCCNC(=O)Nc2ccccc2F)nc(C)n1 ZINC000036708110 472003938 /nfs/dbraw/zinc/00/39/38/472003938.db2.gz TXZOSLGTQZFWEM-UHFFFAOYSA-N 0 3 332.383 2.590 50 0 EFAAHN CCOc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000039363071 472023546 /nfs/dbraw/zinc/02/35/46/472023546.db2.gz CLJFVVIZCSBXGI-LJQANCHMSA-N 0 3 332.488 2.897 50 0 EFAAHN Cc1nc2sccn2c1CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039552348 472025574 /nfs/dbraw/zinc/02/55/74/472025574.db2.gz DKVGNIRIGCWLIX-MRXNPFEDSA-N 0 3 348.516 2.515 50 0 EFAAHN CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H](O)CO ZINC000023214129 472028205 /nfs/dbraw/zinc/02/82/05/472028205.db2.gz XGDQQTLXWWVVCE-IBGZPJMESA-N 0 3 337.423 2.529 50 0 EFAAHN Cc1cccc([C@@H](c2nc(CC3CCN(C)CC3)no2)N(C)C)c1 ZINC000067489728 472039977 /nfs/dbraw/zinc/03/99/77/472039977.db2.gz CYHBIJYJPRDCGN-SFHVURJKSA-N 0 3 328.460 2.913 50 0 EFAAHN O=C(NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1)c1cncs1 ZINC000067673350 472068315 /nfs/dbraw/zinc/06/83/15/472068315.db2.gz PCYUCPZLKBXWLQ-ZDUSSCGKSA-N 0 3 340.452 2.876 50 0 EFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3nn(C)cc3Cl)C2)cc1 ZINC000067712668 472078170 /nfs/dbraw/zinc/07/81/70/472078170.db2.gz UTXURIRJEIJBJU-HNNXBMFYSA-N 0 3 346.862 2.634 50 0 EFAAHN Cc1nc2cc(Cc3nc(CC4CCN(C)CC4)no3)ccc2[nH]1 ZINC000067714622 472078818 /nfs/dbraw/zinc/07/88/18/472078818.db2.gz KYQMVLSKWXWRRJ-UHFFFAOYSA-N 0 3 325.416 2.729 50 0 EFAAHN NCC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067743688 472082731 /nfs/dbraw/zinc/08/27/31/472082731.db2.gz IYYCXMYZLKCZAN-UHFFFAOYSA-N 0 3 347.418 2.698 50 0 EFAAHN Cc1cc(N2CCC[C@@](CO)(CCCc3ccccc3)C2)nc(N)n1 ZINC000067772585 472087610 /nfs/dbraw/zinc/08/76/10/472087610.db2.gz CILSBPSVDVVHIX-FQEVSTJZSA-N 0 3 340.471 2.969 50 0 EFAAHN O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@H]1c1ccccn1)OCO3 ZINC000067770974 472087887 /nfs/dbraw/zinc/08/78/87/472087887.db2.gz IGVBBKGTVKHIEN-KRWDZBQOSA-N 0 3 349.390 2.989 50 0 EFAAHN Cc1c(O)cccc1C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000067820695 472093872 /nfs/dbraw/zinc/09/38/72/472093872.db2.gz QWPQDMMIHDGZLF-INIZCTEOSA-N 0 3 339.439 2.738 50 0 EFAAHN Cc1c2ccccc2oc1CN1CC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000067818459 472094181 /nfs/dbraw/zinc/09/41/81/472094181.db2.gz KSUQOTPEMVSCAB-AWEZNQCLSA-N 0 3 348.468 2.645 50 0 EFAAHN C[C@@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc21 ZINC000067846727 472098216 /nfs/dbraw/zinc/09/82/16/472098216.db2.gz UNTAHJMUDLJQFN-ZDUSSCGKSA-N 0 3 325.416 2.913 50 0 EFAAHN Cc1cncc(C(=O)NCC[C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000067866948 472100911 /nfs/dbraw/zinc/10/09/11/472100911.db2.gz WNODIDDTMSUCIX-KRWDZBQOSA-N 0 3 338.455 2.817 50 0 EFAAHN O=C(CCNCc1c[nH]nc1-c1ccc(F)cc1)Nc1cccnc1 ZINC000067868939 472102357 /nfs/dbraw/zinc/10/23/57/472102357.db2.gz 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2.938 50 0 EFAAHN Cc1cc(C)nc(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000302782227 476205297 /nfs/dbraw/zinc/20/52/97/476205297.db2.gz KDSAPFYHSGRYOV-SFHVURJKSA-N 0 3 326.444 2.796 50 0 EFAAHN CCN1CCC[C@@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000376151294 477200449 /nfs/dbraw/zinc/20/04/49/477200449.db2.gz QCRYZTLZAIQVAZ-GOSISDBHSA-N 0 3 330.476 2.530 50 0 EFAAHN CCN1CCC[C@H]1CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1 ZINC000426370898 477706576 /nfs/dbraw/zinc/70/65/76/477706576.db2.gz BSLUOSYOVLFNAI-SFHVURJKSA-N 0 3 338.455 2.853 50 0 EFAAHN Cc1cccc(OCCCN(C)C(=O)NC[C@@H]2CCCCN2C)c1 ZINC000426420757 477709650 /nfs/dbraw/zinc/70/96/50/477709650.db2.gz PITLIZPXMDDGTA-KRWDZBQOSA-N 0 3 333.476 2.890 50 0 EFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cncc(F)c2)C1 ZINC000426547551 477718414 /nfs/dbraw/zinc/71/84/14/477718414.db2.gz DZQRMBKBHJGUOD-OAHLLOKOSA-N 0 3 327.403 2.748 50 0 EFAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnc(-c4ccco4)nc3)[C@H]2C1 ZINC000426551809 477720666 /nfs/dbraw/zinc/72/06/66/477720666.db2.gz 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/nfs/dbraw/zinc/16/63/67/478166367.db2.gz WQLUGFOBLSHDIE-UHFFFAOYSA-N 0 3 326.444 2.793 50 0 EFAAHN CN(C)Cc1ccccc1CN(C)C(=O)NCc1cccc(CO)c1 ZINC000534670800 478169055 /nfs/dbraw/zinc/16/90/55/478169055.db2.gz BXVQPYSFZMEYTR-UHFFFAOYSA-N 0 3 341.455 2.582 50 0 EFAAHN C[C@@H](CN1CCCC1)NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000534676818 478169491 /nfs/dbraw/zinc/16/94/91/478169491.db2.gz CIGFESBFXDNDNT-HNNXBMFYSA-N 0 3 341.459 2.702 50 0 EFAAHN CC(C)N1CCC[C@H]1CNC(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000584898326 479275816 /nfs/dbraw/zinc/27/58/16/479275816.db2.gz SKLLYVNHXJBMKB-HNNXBMFYSA-N 0 3 347.507 2.693 50 0 EFAAHN O=C(NCc1ccccc1)N1CCCN(C2CCSCC2)CC1 ZINC000575616417 479456769 /nfs/dbraw/zinc/45/67/69/479456769.db2.gz JNYQJXNUCKXXBR-UHFFFAOYSA-N 0 3 333.501 2.800 50 0 EFAAHN CC[C@H](CO)NCc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1 ZINC000004840497 522226826 /nfs/dbraw/zinc/22/68/26/522226826.db2.gz DTLJXMDJHIJUFG-MSOLQXFVSA-N 0 3 345.439 2.668 50 0 EFAAHN CC(C)(Cc1ccc(O)cc1)NC(=O)CSCCN1CCCC1 ZINC000426428439 535188600 /nfs/dbraw/zinc/18/86/00/535188600.db2.gz YBCPGPYKBTUFEF-UHFFFAOYSA-N 0 3 336.501 2.659 50 0 EFAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)C(=O)c2cccnc2)cc1 ZINC000215102751 536020363 /nfs/dbraw/zinc/02/03/63/536020363.db2.gz KRPOCXKSWWJPQN-GOSISDBHSA-N 0 3 337.423 2.690 50 0 EFAAHN COc1ccccc1OCCN1CC[C@](O)(c2ccccc2C)C1 ZINC000244723933 537095706 /nfs/dbraw/zinc/09/57/06/537095706.db2.gz MKNGLMMTWPCHOK-HXUWFJFHSA-N 0 3 327.424 2.976 50 0 EFAAHN Cc1cccc(N2CCN(C(=O)NC[C@@H]3CCCN3C(C)C)CC2)c1 ZINC000670446582 547489880 /nfs/dbraw/zinc/48/98/80/547489880.db2.gz HDAZEURRSDRPOQ-IBGZPJMESA-N 0 3 344.503 2.699 50 0 EFAAHN COC[C@H](C)NC(=O)C1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000670444663 547490378 /nfs/dbraw/zinc/49/03/78/547490378.db2.gz NIMRCZGKUQTOGU-BVBGJJFLSA-N 0 3 346.471 2.572 50 0 EFAAHN O=C(CN1CCCC1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670456658 547493616 /nfs/dbraw/zinc/49/36/16/547493616.db2.gz ODFKOJPLOJMHMB-IBGZPJMESA-N 0 3 329.488 2.816 50 0 EFAAHN CN(CCCOc1ccc(Cl)cc1)CC[C@H]1CCS(=O)(=O)C1 ZINC000677677632 548746280 /nfs/dbraw/zinc/74/62/80/548746280.db2.gz BOOCLXZUFIYXQZ-AWEZNQCLSA-N 0 3 345.892 2.866 50 0 EFAAHN COc1cncc(CN2C[C@H](c3nnc(C4CC4)[nH]3)[C@@H](C3CC3)C2)c1 ZINC000685943451 550197523 /nfs/dbraw/zinc/19/75/23/550197523.db2.gz WZKXFSLADKLVGH-SJORKVTESA-N 0 3 339.443 2.711 50 0 EFAAHN CCN(Cc1ccc(C)o1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000584884582 564131431 /nfs/dbraw/zinc/13/14/31/564131431.db2.gz LKQIMSRRZWZUHF-KRWDZBQOSA-N 0 3 349.475 2.763 50 0 EFAAHN CCN1CCN(CCCOc2ccc(Br)cc2F)CC1 ZINC000230554462 564133471 /nfs/dbraw/zinc/13/34/71/564133471.db2.gz QSHNBNKPGTXXCV-UHFFFAOYSA-N 0 3 345.256 2.995 50 0 EFAAHN O=C1CN(C[C@H]2CCCN2Cc2ccccc2)CCN1c1ccccc1 ZINC000252500112 568419035 /nfs/dbraw/zinc/41/90/35/568419035.db2.gz SNFDXFQXTAVRQB-OAQYLSRUSA-N 0 3 349.478 3.000 50 0 EFAAHN OC[C@@]12CN(Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]1COCC2 ZINC001772706839 1249292294 /nfs/dbraw/zinc/29/22/94/1249292294.db2.gz YCHUODLELQKFAI-IUODEOHRSA-N 0 3 333.325 2.675 50 0 EFAAHN Cc1c([C@H](C)NC(=O)CN2CCCCCC2)cnn1-c1ccccn1 ZINC000011661152 1262908229 /nfs/dbraw/zinc/90/82/29/1262908229.db2.gz STUOJZNKWDWQGI-HNNXBMFYSA-N 0 3 341.459 2.629 50 0 EFAAHN CC(C)(C)CN1C[C@@H](NCc2cccn2-c2ccccn2)CC1=O ZINC000011821940 1264937466 /nfs/dbraw/zinc/93/74/66/1264937466.db2.gz WGGUCXLTEDMYLN-HNNXBMFYSA-N 0 3 326.444 2.609 50 0 EFAAHN CCCCn1nc(-c2cccc3c2ccn3C)nc1[C@@H]1C[C@@H](O)CN1 ZINC000822888894 1265175093 /nfs/dbraw/zinc/17/50/93/1265175093.db2.gz UNWKVAOEDCGCJN-CJNGLKHVSA-N 0 3 339.443 2.632 50 0 EFAAHN CCCc1ncncc1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000823018951 1265194962 /nfs/dbraw/zinc/19/49/62/1265194962.db2.gz XCDQEZNMYWMBQC-UHFFFAOYSA-N 0 3 344.484 2.885 50 0 EFAAHN Cc1c(C(=O)Nc2ccccc2CN2CCCC2)cnc2ccnn21 ZINC000828202534 1267654872 /nfs/dbraw/zinc/65/48/72/1267654872.db2.gz QUZHKCSEHXZIAS-UHFFFAOYSA-N 0 3 335.411 2.886 50 0 EFAAHN OCc1cc(N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)ccn1 ZINC000828837235 1267946105 /nfs/dbraw/zinc/94/61/05/1267946105.db2.gz LTERKUQNWBOMQE-UHFFFAOYSA-N 0 3 326.375 2.973 50 0 EFAAHN Cc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)nc(C)n1 ZINC000012439943 1268388583 /nfs/dbraw/zinc/38/85/83/1268388583.db2.gz CVQDPLLKLNTWJB-GOSISDBHSA-N 0 3 338.455 2.530 50 0 EFAAHN Nc1nc2c(s1)[C@H](c1cc(CN3CCCC3)cs1)CC(=O)NC2 ZINC000065394341 1271185295 /nfs/dbraw/zinc/18/52/95/1271185295.db2.gz HLKXOPJLDXDPAB-NSHDSACASA-N 0 3 348.497 2.534 50 0 EFAAHN CCCc1cc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)nc(C)n1 ZINC000952854564 1284871257 /nfs/dbraw/zinc/87/12/57/1284871257.db2.gz QNUKZQNJAXSHKG-RBUKOAKNSA-N 0 3 333.476 2.550 50 0 EFAAHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000952970148 1284936021 /nfs/dbraw/zinc/93/60/21/1284936021.db2.gz HKSHJKPTRUUHSD-IBGZPJMESA-N 0 3 343.515 2.723 50 0 EFAAHN Cc1ccc([C@H](CNC(=O)c2cc(C(C)C)nc(N)n2)N(C)C)cc1 ZINC000952977232 1284951647 /nfs/dbraw/zinc/95/16/47/1284951647.db2.gz XNEFGLIBDVVBNS-KRWDZBQOSA-N 0 3 341.459 2.523 50 0 EFAAHN CCC(CC)N1C[C@H]2OC(=O)N(CCc3ccc(OC)cc3)[C@H]2C1 ZINC000012714343 1307071790 /nfs/dbraw/zinc/07/17/90/1307071790.db2.gz FCQPAQROCGIMAP-ZWKOTPCHSA-N 0 3 332.444 2.931 50 0 EFAAHN OCC[C@@H]1CN(C2CCSCC2)CCN1Cc1cccs1 ZINC000019219043 1314404798 /nfs/dbraw/zinc/40/47/98/1314404798.db2.gz KHXMUJGLLBPLHQ-OAHLLOKOSA-N 0 3 326.531 2.512 50 0 EFAAHN Cc1cc(C)n(C[C@H](C)N2CCN(CCc3ccccc3)CC2)n1 ZINC001506406712 1405754260 /nfs/dbraw/zinc/75/42/60/1405754260.db2.gz NAPRLDCRSQPHKL-IBGZPJMESA-N 0 3 326.488 2.749 50 0 EFAAHN Cc1cccc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)n1 ZINC001704340133 1417911092 /nfs/dbraw/zinc/91/10/92/1417911092.db2.gz OJWWJPYZADQSFI-FQEVSTJZSA-N 0 3 337.471 2.726 50 0 EFAAHN Cc1ccc(CCC(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(C)c1 ZINC001704338134 1417911193 /nfs/dbraw/zinc/91/11/93/1417911193.db2.gz MQHAMLSJFHFKTP-TZIWHRDSSA-N 0 3 344.499 2.541 50 0 EFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000022591472 714849826 /nfs/dbraw/zinc/84/98/26/714849826.db2.gz ZTHWQKUIIGODDC-INIZCTEOSA-N 0 3 334.460 2.784 50 0 EFAAHN Cc1nn(CCO)c(C)c1CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000305057608 724487795 /nfs/dbraw/zinc/48/77/95/724487795.db2.gz FORCNKAXYFPJCO-AWEZNQCLSA-N 0 3 339.443 2.529 50 0 EFAAHN CC(C)(C)CN1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000020209982 719446806 /nfs/dbraw/zinc/44/68/06/719446806.db2.gz ISGXGPPXSBZOEK-HNNXBMFYSA-N 0 3 326.431 2.880 50 0 EFAAHN O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1 ZINC000004744336 210267235 /nfs/dbraw/zinc/26/72/35/210267235.db2.gz XUNNURQIBHKXKO-UHFFFAOYSA-N 0 3 342.892 2.979 50 0 EFAAHN CN(CCN1CCCCC1=O)Cc1ccc(CN2CCCC2)s1 ZINC000097619210 219041936 /nfs/dbraw/zinc/04/19/36/219041936.db2.gz AAIOJQVQVHDVGL-UHFFFAOYSA-N 0 3 335.517 2.788 50 0 EFAAHN CN1CCN([C@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000097654208 219044142 /nfs/dbraw/zinc/04/41/42/219044142.db2.gz NGVGAAZIMVEXFW-IBGZPJMESA-N 0 3 343.515 2.830 50 0 EFAAHN Cc1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)nc(N)n1 ZINC000052473602 214129834 /nfs/dbraw/zinc/12/98/34/214129834.db2.gz SYNHGPNSWYHZGG-UHFFFAOYSA-N 0 3 333.386 2.722 50 0 EFAAHN Cc1nc(-c2cccc(N3CCOCC3)c2)n(-c2ccnc(C)c2)n1 ZINC000097696178 219048457 /nfs/dbraw/zinc/04/84/57/219048457.db2.gz QDTXDBZOORWWLJ-UHFFFAOYSA-N 0 3 335.411 2.783 50 0 EFAAHN Cc1cc2oc(=O)cc(CN3CCC4(CC3)OCCO4)c2cc1C ZINC000054219984 214224928 /nfs/dbraw/zinc/22/49/28/214224928.db2.gz SAYVKPLXTRBCMA-UHFFFAOYSA-N 0 3 329.396 2.749 50 0 biogenic EFAAHN CN(C)CCN(Cc1ccsc1)Cc1cccn1-c1ncccn1 ZINC000055074617 214269223 /nfs/dbraw/zinc/26/92/23/214269223.db2.gz QMNXJKVWJZSNMC-UHFFFAOYSA-N 0 3 341.484 2.893 50 0 EFAAHN Cc1nc2c(nc(C)nc2N(C)Cc2ccccc2CN(C)C)o1 ZINC000055120053 214276423 /nfs/dbraw/zinc/27/64/23/214276423.db2.gz AYIJZRHXNAVHMB-UHFFFAOYSA-N 0 3 325.416 2.933 50 0 EFAAHN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000097756305 219054020 /nfs/dbraw/zinc/05/40/20/219054020.db2.gz ZYAQSASUIPZBIS-OAHLLOKOSA-N 0 3 338.415 2.513 50 0 EFAAHN COCCN(Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000055211522 214289966 /nfs/dbraw/zinc/28/99/66/214289966.db2.gz MCJHOWRURJUMCW-KRWDZBQOSA-N 0 3 333.407 2.843 50 0 EFAAHN CC[C@H](C)Oc1ccc(CNCCN2CCNC2=O)cc1Cl ZINC000055227173 214292824 /nfs/dbraw/zinc/29/28/24/214292824.db2.gz UGTBGCOZZDVBKI-LBPRGKRZSA-N 0 3 325.840 2.632 50 0 EFAAHN CCN(CCN1CCCCCC1)C(=O)c1cccc(-n2cnnc2)c1 ZINC000055283163 214301985 /nfs/dbraw/zinc/30/19/85/214301985.db2.gz RXBQQGIXANFGLI-UHFFFAOYSA-N 0 3 341.459 2.605 50 0 EFAAHN COc1cc(OC)cc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000004688591 210247919 /nfs/dbraw/zinc/24/79/19/210247919.db2.gz UBPPJXPGUGGWRD-KHYOSLBOSA-N 0 3 344.455 2.650 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(C)ccc2OC)C1 ZINC000004685699 210247982 /nfs/dbraw/zinc/24/79/82/210247982.db2.gz MXBRIHIXJIKSHK-OAHLLOKOSA-N 0 3 348.443 2.607 50 0 EFAAHN CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3ncoc3C)O2)CC1 ZINC000097776114 219056889 /nfs/dbraw/zinc/05/68/89/219056889.db2.gz SLYSJIOTOPMBFP-INIZCTEOSA-N 0 3 347.459 2.693 50 0 EFAAHN COc1cccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000004688594 210247550 /nfs/dbraw/zinc/24/75/50/210247550.db2.gz YJANRONIWZZKHJ-UXLLHSPISA-N 0 3 344.455 2.650 50 0 EFAAHN CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1nn(C)c2c1CCCC2 ZINC000097797586 219057825 /nfs/dbraw/zinc/05/78/25/219057825.db2.gz JGOCXKKAGIBXHC-SFHVURJKSA-N 0 3 340.471 2.674 50 0 EFAAHN Oc1c2onc(-c3ccccc3Cl)c2c(O)n1-c1ccccc1 ZINC000101495655 219129235 /nfs/dbraw/zinc/12/92/35/219129235.db2.gz SWZDYYPHQMNDCA-HIFRSBDPSA-N 0 3 326.739 2.633 50 0 EFAAHN COc1ccccc1-n1cc(CN2C[C@H]3CC[C@@H](C2)[C@H]3OC)cn1 ZINC000102479847 219207152 /nfs/dbraw/zinc/20/71/52/219207152.db2.gz CQFINBWCNOUDKZ-MNZLEMJZSA-N 0 3 327.428 2.738 50 0 EFAAHN CN1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000067285032 215129781 /nfs/dbraw/zinc/12/97/81/215129781.db2.gz DJISRGCKVQSWLA-UHFFFAOYSA-N 0 3 325.391 2.677 50 0 EFAAHN NC1(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)CCC1 ZINC000067458250 215148210 /nfs/dbraw/zinc/14/82/10/215148210.db2.gz BMPIVALYHHAUBL-UHFFFAOYSA-N 0 3 333.338 2.650 50 0 EFAAHN O=C(Cc1cccc(F)c1F)NC[C@@H]1CCN(Cc2ccco2)C1 ZINC000067458223 215148761 /nfs/dbraw/zinc/14/87/61/215148761.db2.gz ZXSKSDGSPLQMEL-ZDUSSCGKSA-N 0 3 334.366 2.739 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(O)c3)cnn2c1 ZINC000067514648 215157698 /nfs/dbraw/zinc/15/76/98/215157698.db2.gz JTHAHAMMDVHXGF-UHFFFAOYSA-N 0 3 339.399 2.529 50 0 EFAAHN O=C(NC[C@H]1CCN(Cc2ccc3nonc3c2)C1)C1CCCCC1 ZINC000067673067 215176817 /nfs/dbraw/zinc/17/68/17/215176817.db2.gz FIOXQFWNOAZQSJ-OAHLLOKOSA-N 0 3 342.443 2.741 50 0 EFAAHN COc1ccc2c(c1)c(C(=O)NC[C@H]1CCCN(C)C1)c(C)n2C ZINC000067675883 215181278 /nfs/dbraw/zinc/18/12/78/215181278.db2.gz LKHANOSFEWESRR-CQSZACIVSA-N 0 3 329.444 2.567 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3ccsc3)cnn2c1 ZINC000067676794 215182315 /nfs/dbraw/zinc/18/23/15/215182315.db2.gz HNWWDTQSUPODPU-UHFFFAOYSA-N 0 3 343.456 2.563 50 0 EFAAHN Cc1cc(=O)oc2cc(CN(C[C@H]3CCC(=O)N3)C(C)C)ccc12 ZINC000067679236 215184456 /nfs/dbraw/zinc/18/44/56/215184456.db2.gz LUCFADQGUAKRNN-OAHLLOKOSA-N 0 3 328.412 2.590 50 0 EFAAHN CC[C@H]1CN(Cc2cnc(-c3ccccn3)nc2)CCN1C(C)C ZINC000067696437 215189243 /nfs/dbraw/zinc/18/92/43/215189243.db2.gz OLRISSYBLVFZJU-KRWDZBQOSA-N 0 3 325.460 2.843 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ccco3)cnn2c1 ZINC000067713268 215190889 /nfs/dbraw/zinc/19/08/89/215190889.db2.gz CALHIGCVWDDODA-ZDUSSCGKSA-N 0 3 341.415 2.655 50 0 EFAAHN CNC(=O)CC1CCN(Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000067714662 215192667 /nfs/dbraw/zinc/19/26/67/215192667.db2.gz LELYHHXTDQPSKJ-UHFFFAOYSA-N 0 3 329.444 2.833 50 0 EFAAHN O=C(NCC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1[O-] ZINC000067692108 215188364 /nfs/dbraw/zinc/18/83/64/215188364.db2.gz OIIQSPASHJNYBU-INIZCTEOSA-N 0 3 339.439 2.819 50 0 EFAAHN O=C(NCC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1[O-] ZINC000067692108 215188367 /nfs/dbraw/zinc/18/83/67/215188367.db2.gz OIIQSPASHJNYBU-INIZCTEOSA-N 0 3 339.439 2.819 50 0 EFAAHN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000067726756 215195992 /nfs/dbraw/zinc/19/59/92/215195992.db2.gz CGMFQJVSEBEPDI-MRXNPFEDSA-N 0 3 346.471 2.832 50 0 EFAAHN Cc1cc(CN2CCC[C@@H](CNC(=O)C3CCOCC3)C2)ccc1F ZINC000067740758 215199378 /nfs/dbraw/zinc/19/93/78/215199378.db2.gz YARHGCLMCPYFSF-KRWDZBQOSA-N 0 3 348.462 2.889 50 0 EFAAHN COc1cccc(CN2CC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000067755957 215204669 /nfs/dbraw/zinc/20/46/69/215204669.db2.gz JVDKYHPBIZFUDJ-ZDUSSCGKSA-N 0 3 330.350 2.586 50 0 EFAAHN CC[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C)o2)CCN1 ZINC000067774251 215209312 /nfs/dbraw/zinc/20/93/12/215209312.db2.gz RCGXZKOHLQNXBP-AWEZNQCLSA-N 0 3 341.411 2.664 50 0 EFAAHN CNc1ccc(C(=O)NC[C@@H]2CCN(CCC(F)(F)F)C2)cc1 ZINC000067783667 215210940 /nfs/dbraw/zinc/21/09/40/215210940.db2.gz MWORUYZEJLEOKC-LBPRGKRZSA-N 0 3 329.366 2.732 50 0 EFAAHN Cc1cncc(C(=O)NC[C@@H]2CCCN(Cc3cccc(O)c3)C2)c1 ZINC000067788678 215214278 /nfs/dbraw/zinc/21/42/78/215214278.db2.gz KZBRXWSPQBMIPJ-KRWDZBQOSA-N 0 3 339.439 2.738 50 0 EFAAHN Cc1c(O)cccc1C(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC000067820697 215221684 /nfs/dbraw/zinc/22/16/84/215221684.db2.gz QWPQDMMIHDGZLF-MRXNPFEDSA-N 0 3 339.439 2.738 50 0 EFAAHN CC(C)[C@@](C)(N)C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067856806 215232699 /nfs/dbraw/zinc/23/26/99/215232699.db2.gz PTCDKURRKVCIFF-GOSISDBHSA-N 0 3 346.862 2.988 50 0 EFAAHN CC(C)(C(=O)NC[C@@H]1CCN(Cc2cccnc2)C1)c1ccccc1 ZINC000067856779 215233635 /nfs/dbraw/zinc/23/36/35/215233635.db2.gz HHNFLJFLSJEVMA-SFHVURJKSA-N 0 3 337.467 2.998 50 0 EFAAHN Cc1nc2c(cccc2C(=O)NC[C@H]2CCN(Cc3ccco3)C2)[nH]1 ZINC000067921819 215251012 /nfs/dbraw/zinc/25/10/12/215251012.db2.gz HOUKIGIJRXAKRA-CQSZACIVSA-N 0 3 338.411 2.716 50 0 EFAAHN CC(=O)NC[C@H]1CCCN(Cc2cc(C)n(-c3cccnc3)c2C)C1 ZINC000067974739 215264167 /nfs/dbraw/zinc/26/41/67/215264167.db2.gz DSHJCRGGSOZTFK-GOSISDBHSA-N 0 3 340.471 2.837 50 0 EFAAHN COc1cc(C(=O)NC[C@@H]2CCN(Cc3cccnc3)C2)ccc1C ZINC000067955994 215259512 /nfs/dbraw/zinc/25/95/12/215259512.db2.gz DDOTWEWVVDWJIZ-KRWDZBQOSA-N 0 3 339.439 2.651 50 0 EFAAHN CN1CCC2(CC1)OCCN2C(=O)c1ccc(Cl)cc1Cl ZINC000013692234 282726278 /nfs/dbraw/zinc/72/62/78/282726278.db2.gz FDDQITPVPPTPDJ-UHFFFAOYSA-N 0 3 329.227 2.888 50 0 EFAAHN COc1ccc(CN2CCN(CC3CC3)C[C@H]2CCO)c(C)c1C ZINC000104393214 219383534 /nfs/dbraw/zinc/38/35/34/219383534.db2.gz CCYGGZAWASCWBM-LJQANCHMSA-N 0 3 332.488 2.591 50 0 EFAAHN CC(C)CCN1CCN(Cc2cccc(F)c2F)C[C@H]1CCO ZINC000104394458 219383782 /nfs/dbraw/zinc/38/37/82/219383782.db2.gz WDPLJADGBZSYCY-MRXNPFEDSA-N 0 3 326.431 2.880 50 0 EFAAHN CC(C)CN1CCN(Cc2cn(C)c3ccccc23)C[C@H]1CCO ZINC000104469481 219389004 /nfs/dbraw/zinc/38/90/04/219389004.db2.gz KGGIVTRYUGCJES-GOSISDBHSA-N 0 3 329.488 2.703 50 0 EFAAHN Cc1nnc(NC(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000040526546 213336031 /nfs/dbraw/zinc/33/60/31/213336031.db2.gz HHGJNXLINFHQCO-UHFFFAOYSA-N 0 3 331.445 2.633 50 0 EFAAHN Cc1cccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)n1 ZINC000039490333 213237583 /nfs/dbraw/zinc/23/75/83/213237583.db2.gz FRKYZXMWWDODMG-HXUWFJFHSA-N 0 3 331.504 2.839 50 0 EFAAHN CN1CCc2[nH]nc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c2C1 ZINC000077460077 283174280 /nfs/dbraw/zinc/17/42/80/283174280.db2.gz LXQYYBMCEKWJTL-KRWDZBQOSA-N 0 3 342.418 2.904 50 0 EFAAHN CNC1(c2nnnn2-c2ccccc2OC)C2CC3CC(C2)CC1C3 ZINC000035615883 213042953 /nfs/dbraw/zinc/04/29/53/213042953.db2.gz SKEQCOWPJKWHHA-UHFFFAOYSA-N 0 3 339.443 2.542 50 0 EFAAHN CCc1noc(CN(CCc2ccccc2)C2CCN(C)CC2)n1 ZINC000072121718 216015590 /nfs/dbraw/zinc/01/55/90/216015590.db2.gz ITAANDCYUONUKE-UHFFFAOYSA-N 0 3 328.460 2.771 50 0 EFAAHN c1ccc(-c2nc3c(c(NCCc4cccnc4)n2)CCNC3)cc1 ZINC000072143199 216028502 /nfs/dbraw/zinc/02/85/02/216028502.db2.gz WJROQIUBZLXKTG-UHFFFAOYSA-N 0 3 331.423 2.839 50 0 EFAAHN Cc1nc([C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc(=O)[n-]1 ZINC000072147954 216035878 /nfs/dbraw/zinc/03/58/78/216035878.db2.gz CTELFHDDYIBAEC-OAHLLOKOSA-N 0 3 349.438 2.710 50 0 EFAAHN Cc1nc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)cc(=O)[n-]1 ZINC000072147954 216035881 /nfs/dbraw/zinc/03/58/81/216035881.db2.gz CTELFHDDYIBAEC-OAHLLOKOSA-N 0 3 349.438 2.710 50 0 EFAAHN O=C(c1ccncc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072162445 216049892 /nfs/dbraw/zinc/04/98/92/216049892.db2.gz RYXXPKYJIVPZKK-VAMGGRTRSA-N 0 3 333.435 2.784 50 0 EFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)N2CCOCC2)cc1 ZINC000072153896 216042540 /nfs/dbraw/zinc/04/25/40/216042540.db2.gz BWAMYJIKJXQJPL-GOSISDBHSA-N 0 3 331.460 2.727 50 0 EFAAHN CC[C@@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCN1C(C)C ZINC000072157171 216047033 /nfs/dbraw/zinc/04/70/33/216047033.db2.gz BMRIQDSCSLECCI-CQSZACIVSA-N 0 3 344.507 2.970 50 0 EFAAHN CC(=O)c1c(C)cc(C)c(CN2CCOC[C@@H](CN(C)C)C2)c1C ZINC000072166364 216054977 /nfs/dbraw/zinc/05/49/77/216054977.db2.gz YFKLYJZNRVEFBF-SFHVURJKSA-N 0 3 332.488 2.824 50 0 EFAAHN CN(C(=O)c1cnn2c1CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072171487 216062757 /nfs/dbraw/zinc/06/27/57/216062757.db2.gz OYDIPWSIFCHZBH-QGZVFWFLSA-N 0 3 338.455 2.566 50 0 EFAAHN O=C(CCN1CCC[C@@H](c2cc[nH]n2)C1)N1CCc2sccc2C1 ZINC000072272751 216095883 /nfs/dbraw/zinc/09/58/83/216095883.db2.gz BSGBJKUTWXQXQM-CQSZACIVSA-N 0 3 344.484 2.626 50 0 EFAAHN Cc1nn2c(nc(C)cc2NC2CCN(C[C@@H]3CCCO3)CC2)c1C ZINC000072407461 216197613 /nfs/dbraw/zinc/19/76/13/216197613.db2.gz QTSPFTHMGGJJQP-KRWDZBQOSA-N 0 3 343.475 2.710 50 0 EFAAHN CC(C)CCN1CC2(CCN([C@@H](C)Cn3cccn3)CC2)OC1=O ZINC000072406882 216197685 /nfs/dbraw/zinc/19/76/85/216197685.db2.gz IRJKONOXEVFHPH-INIZCTEOSA-N 0 3 334.464 2.605 50 0 EFAAHN CC(C)CCN1CC2(CCN([C@H](C)Cn3cccn3)CC2)OC1=O ZINC000072406883 216198853 /nfs/dbraw/zinc/19/88/53/216198853.db2.gz IRJKONOXEVFHPH-MRXNPFEDSA-N 0 3 334.464 2.605 50 0 EFAAHN Cc1nc2c(c(N[C@@H](C)C3CC3)n1)CCN(Cc1ccncc1)CC2 ZINC000072420056 216209105 /nfs/dbraw/zinc/20/91/05/216209105.db2.gz SAUPEDIUVFBKLK-AWEZNQCLSA-N 0 3 337.471 2.991 50 0 EFAAHN C[C@@H]1CCCN(CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072423673 216213024 /nfs/dbraw/zinc/21/30/24/216213024.db2.gz QXLISAMHBOQZGA-MRXNPFEDSA-N 0 3 332.488 2.852 50 0 EFAAHN Cc1cccc(N2CCC(N3CCC[C@]4(CNC(=O)O4)C3)CC2)c1C ZINC000072426895 216217889 /nfs/dbraw/zinc/21/78/89/216217889.db2.gz ZPKMFFVFCKNKAE-FQEVSTJZSA-N 0 3 343.471 2.847 50 0 EFAAHN O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ncc[nH]2)CC1 ZINC000072432116 216225437 /nfs/dbraw/zinc/22/54/37/216225437.db2.gz LOKPJCNRFQOCCU-SFHVURJKSA-N 0 3 338.455 2.780 50 0 EFAAHN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ccncc2)C1 ZINC000072435941 216231373 /nfs/dbraw/zinc/23/13/73/216231373.db2.gz INXDKACUEVNVDU-INIZCTEOSA-N 0 3 340.475 2.580 50 0 EFAAHN CNc1nc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)ncc1F ZINC000072456891 216242203 /nfs/dbraw/zinc/24/22/03/216242203.db2.gz XDXGOCMEKDDKNI-HNNXBMFYSA-N 0 3 341.434 2.701 50 0 EFAAHN CN(C)c1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cn1 ZINC000072473207 216250408 /nfs/dbraw/zinc/25/04/08/216250408.db2.gz YAAQOFCDTLSQAE-HXUWFJFHSA-N 0 3 339.483 2.963 50 0 EFAAHN C[C@@H](c1ccc(F)cc1)n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072467817 216247490 /nfs/dbraw/zinc/24/74/90/216247490.db2.gz WFHKWHPUZJWQCM-ZDUSSCGKSA-N 0 3 325.391 2.988 50 0 EFAAHN CNc1cc(C)nc(N[C@@H]2CCCN(CCc3ccccc3)C2)n1 ZINC000072468609 216247552 /nfs/dbraw/zinc/24/75/52/216247552.db2.gz OAROLNUIMXEFDR-QGZVFWFLSA-N 0 3 325.460 2.946 50 0 EFAAHN O=C1OC2(CN1CCc1ccccc1)CCN([C@H]1CCCOC1)CC2 ZINC000072468771 216249347 /nfs/dbraw/zinc/24/93/47/216249347.db2.gz WTHYVDCNIJPIOE-SFHVURJKSA-N 0 3 344.455 2.695 50 0 EFAAHN COCc1noc(-c2ccc(N(C)CCN3CCCC[C@H]3C)nc2)n1 ZINC000072476601 216254284 /nfs/dbraw/zinc/25/42/84/216254284.db2.gz WKDOCJSPZBYDDY-CQSZACIVSA-N 0 3 345.447 2.589 50 0 EFAAHN c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCN2CCC[C@@H]2C1 ZINC000023477186 212378372 /nfs/dbraw/zinc/37/83/72/212378372.db2.gz JJABEQFRZHRLAS-OAHLLOKOSA-N 0 3 343.452 2.819 50 0 EFAAHN OCC[C@H]1CN(Cc2cc3ccccc3[nH]2)CCN1C1CCCC1 ZINC000023375077 212373286 /nfs/dbraw/zinc/37/32/86/212373286.db2.gz XNQVNZFXNVMOFZ-IBGZPJMESA-N 0 3 327.472 2.979 50 0 EFAAHN c1ccc(OCc2noc(CN3CCN(C4CCCC4)CC3)n2)cc1 ZINC000023359262 212370068 /nfs/dbraw/zinc/37/00/68/212370068.db2.gz 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/nfs/dbraw/zinc/25/32/09/472253209.db2.gz IQLBPCOTOQXNPZ-QGZVFWFLSA-N 0 3 333.501 2.800 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1ccc(OCc3cccnc3)cc1)CC2 ZINC000097199419 472474536 /nfs/dbraw/zinc/47/45/36/472474536.db2.gz DBXMLORGPCSSGR-SFHVURJKSA-N 0 3 349.438 2.665 50 0 EFAAHN CCc1nnc2n1C[C@H](NCc1csc(Br)c1)CC2 ZINC000097199578 472474608 /nfs/dbraw/zinc/47/46/08/472474608.db2.gz DPBKSWTUZIMMEF-SNVBAGLBSA-N 0 3 341.278 2.769 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1ccc(OCc3ccccn3)cc1)CC2 ZINC000097199427 472475404 /nfs/dbraw/zinc/47/54/04/472475404.db2.gz DNMOOSQGDRBVGL-KRWDZBQOSA-N 0 3 349.438 2.665 50 0 EFAAHN CN(Cc1cc(-c2cccnc2)no1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077300748 472496886 /nfs/dbraw/zinc/49/68/86/472496886.db2.gz ZHTDHSUBYOUZCY-INIZCTEOSA-N 0 3 343.427 2.897 50 0 EFAAHN COCCN1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077300415 472496983 /nfs/dbraw/zinc/49/69/83/472496983.db2.gz BEYHXNNZPJNAJG-FQEVSTJZSA-N 0 3 330.472 2.580 50 0 EFAAHN CC(C)(C)OC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2CO)C1 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C[C@H]1CCCC[C@H]1OCCN1CCC(c2ccnn2CCO)CC1 ZINC000058298979 472540667 /nfs/dbraw/zinc/54/06/67/472540667.db2.gz HKJPHUTUMOTLJF-QFBILLFUSA-N 0 3 335.492 2.650 50 0 EFAAHN Cc1ncncc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077505589 472540735 /nfs/dbraw/zinc/54/07/35/472540735.db2.gz GHQRERBRXPBIKI-UHFFFAOYSA-N 0 3 338.455 2.566 50 0 EFAAHN CC(C)OCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071638963 472555171 /nfs/dbraw/zinc/55/51/71/472555171.db2.gz XQHKHOPNBNJJTI-DFQSSKMNSA-N 0 3 328.456 2.500 50 0 EFAAHN FC(F)(F)[C@H]1CN(C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000071730654 472556718 /nfs/dbraw/zinc/55/67/18/472556718.db2.gz RBKBWAZSDSYROT-MRXNPFEDSA-N 0 3 328.378 2.914 50 0 EFAAHN Cc1ccsc1[C@H](CNc1nc(C)nc2c1cnn2C)N(C)C ZINC000072163521 472633402 /nfs/dbraw/zinc/63/34/02/472633402.db2.gz HOUDDKCIMNDYIO-ZDUSSCGKSA-N 0 3 330.461 2.756 50 0 EFAAHN Cc1nn2c(nc(C)cc2N2CCC(N3CCSCC3)CC2)c1C ZINC000072475395 472664921 /nfs/dbraw/zinc/66/49/21/472664921.db2.gz IQITUHHOPZIKPC-UHFFFAOYSA-N 0 3 345.516 2.672 50 0 EFAAHN COCCC[C@@]1(CO)CCCN(CCOc2ccc(F)cc2)C1 ZINC000091364781 472760001 /nfs/dbraw/zinc/76/00/01/472760001.db2.gz OPCJVZKBNPFUGA-SFHVURJKSA-N 0 3 325.424 2.706 50 0 EFAAHN CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)[nH]1 ZINC000091365257 472760447 /nfs/dbraw/zinc/76/04/47/472760447.db2.gz OIPLSCVNWYFUAL-NVXWUHKLSA-N 0 3 340.475 2.643 50 0 EFAAHN CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000048140009 472819916 /nfs/dbraw/zinc/81/99/16/472819916.db2.gz RAYJDAHRKOJYRB-UHFFFAOYSA-N 0 3 340.471 2.527 50 0 EFAAHN O=C(c1cnccn1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000106580859 472869220 /nfs/dbraw/zinc/86/92/20/472869220.db2.gz VQTCXFOWUHAMCB-RBUKOAKNSA-N 0 3 336.439 2.746 50 0 EFAAHN O=C([C@@H]1CCCO1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000106638367 472875425 /nfs/dbraw/zinc/87/54/25/472875425.db2.gz PEQFSIVACLVVNV-QRVBRYPASA-N 0 3 328.456 2.821 50 0 EFAAHN O=C1NCCN1C1CCN(CCOc2cccc3ccccc32)CC1 ZINC000064953431 472887752 /nfs/dbraw/zinc/88/77/52/472887752.db2.gz 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/nfs/dbraw/zinc/94/56/07/472945607.db2.gz JLOBVUMARXJUCC-KRWDZBQOSA-N 0 3 340.427 2.730 50 0 EFAAHN C[C@@H](NC(=O)CCNCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000065456291 472946138 /nfs/dbraw/zinc/94/61/38/472946138.db2.gz CKPGIDLKBTXPIF-CQSZACIVSA-N 0 3 326.396 2.772 50 0 EFAAHN O[C@H](COCc1ccccc1Cl)CN1CCC(c2cc[nH]n2)CC1 ZINC000065512253 472961143 /nfs/dbraw/zinc/96/11/43/472961143.db2.gz FSYCLVISJYQDLG-INIZCTEOSA-N 0 3 349.862 2.820 50 0 EFAAHN CN(Cc1ccc2nonc2c1)C(=O)C1(N2CCCC2)CCCC1 ZINC000065531167 472968404 /nfs/dbraw/zinc/96/84/04/472968404.db2.gz KOKXRUXKLGVBBW-UHFFFAOYSA-N 0 3 328.416 2.590 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1cc(Cl)c3c(c1)OCCCO3)CC2 ZINC000065538570 472971005 /nfs/dbraw/zinc/97/10/05/472971005.db2.gz CGGSCSCEYSXXIQ-ZDUSSCGKSA-N 0 3 348.834 2.506 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1ccccc1OCc1cccnc1)CC2 ZINC000065563811 472976894 /nfs/dbraw/zinc/97/68/94/472976894.db2.gz NHEIYPTVXKQPJR-SFHVURJKSA-N 0 3 349.438 2.665 50 0 EFAAHN Cc1cc(CN2CCN(Cc3ccccc3)C[C@@H](O)C2)ccc1F ZINC000108257561 473010064 /nfs/dbraw/zinc/01/00/64/473010064.db2.gz CTTRXWWDOUUWLN-LJQANCHMSA-N 0 3 328.431 2.813 50 0 EFAAHN CCN1CCC[C@@H](NC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000052593402 473130488 /nfs/dbraw/zinc/13/04/88/473130488.db2.gz SVOLRNHYSVUXCJ-GOSISDBHSA-N 0 3 345.487 2.862 50 0 EFAAHN Cc1cc(C)nc(NC(=S)N2CCN(c3ccncc3)CC2)c1 ZINC000198405642 474112383 /nfs/dbraw/zinc/11/23/83/474112383.db2.gz ITLPIAAGIQAGRA-UHFFFAOYSA-N 0 3 327.457 2.612 50 0 in-vitro EFAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000222897636 474176460 /nfs/dbraw/zinc/17/64/60/474176460.db2.gz AQKPHEJEAUGIIJ-SJORKVTESA-N 0 3 340.423 2.616 50 0 EFAAHN O=C(Cc1ccsc1)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225687382 474235353 /nfs/dbraw/zinc/23/53/53/474235353.db2.gz PNJJQCFDGLKBOA-SFHVURJKSA-N 0 3 326.465 2.950 50 0 EFAAHN CCCOc1ccc(OCCN2CCN(C3CCOCC3)CC2)cc1 ZINC000175501643 474237429 /nfs/dbraw/zinc/23/74/29/474237429.db2.gz WHNNOMBRXJRJCL-UHFFFAOYSA-N 0 3 348.487 2.651 50 0 EFAAHN CCN(CC)CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1C ZINC000230512461 474260481 /nfs/dbraw/zinc/26/04/81/474260481.db2.gz CYFODKLIDQSQTK-UHFFFAOYSA-N 0 3 339.288 2.922 50 0 EFAAHN Cc1nc([C@@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)n[nH]1 ZINC000244724474 474565302 /nfs/dbraw/zinc/56/53/02/474565302.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 0 3 336.443 2.738 50 0 EFAAHN Cc1n[nH]c([C@@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)n1 ZINC000244724474 474565307 /nfs/dbraw/zinc/56/53/07/474565307.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 0 3 336.443 2.738 50 0 EFAAHN Cc1nnc([C@@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)[nH]1 ZINC000244724474 474565315 /nfs/dbraw/zinc/56/53/15/474565315.db2.gz MUVSYXPRIZLVJP-QGZVFWFLSA-N 0 3 336.443 2.738 50 0 EFAAHN Cc1c(F)cccc1CN1CC[C@H](CNC(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000244788104 474566977 /nfs/dbraw/zinc/56/69/77/474566977.db2.gz QJKXLSFRIWAHJP-NUJGCVRESA-N 0 3 348.462 2.623 50 0 EFAAHN c1ccc(-c2nnc(CN3CCC(N4CCSCC4)CC3)o2)cc1 ZINC000244795396 474567049 /nfs/dbraw/zinc/56/70/49/474567049.db2.gz RFPUJMZTMLVLIF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/16/36/78/478163678.db2.gz IZKDUSFACOPLIT-MRXNPFEDSA-N 0 3 343.475 2.581 50 0 EFAAHN O=C(c1ccc(CNC2CSCCSC2)cc1)N1CCCC1 ZINC000534642241 478164494 /nfs/dbraw/zinc/16/44/94/478164494.db2.gz SWQZWCCKKFWESF-UHFFFAOYSA-N 0 3 336.526 2.861 50 0 EFAAHN Cc1nc2sccc2c(-c2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000534644778 478166045 /nfs/dbraw/zinc/16/60/45/478166045.db2.gz SXTSNTDAIZWQGA-UHFFFAOYSA-N 0 3 340.452 2.958 50 0 EFAAHN Cc1ccccc1[C@@H](CNC(=O)N1CCOCC1)N1CCC(C)CC1 ZINC000534652177 478166507 /nfs/dbraw/zinc/16/65/07/478166507.db2.gz PWEKBLKIUQOUOL-LJQANCHMSA-N 0 3 345.487 2.810 50 0 EFAAHN CC(C)(C)c1noc(CNC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000534673104 478168176 /nfs/dbraw/zinc/16/81/76/478168176.db2.gz XAXQGBXRSKNXMU-UHFFFAOYSA-N 0 3 349.479 2.527 50 0 EFAAHN CC[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccc(O)cc1 ZINC000584896184 479273803 /nfs/dbraw/zinc/27/38/03/479273803.db2.gz ALXCJQUMBPACKP-SFHVURJKSA-N 0 3 340.427 2.770 50 0 EFAAHN CN(CCC12CC3CC(CC(C3)C1)C2)C(=O)C1(O)CCN(C)CC1 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CCOc1ccc(CN2CC[C@H](CC(=O)NC)C2)c(OCC)c1C ZINC000670452705 547492363 /nfs/dbraw/zinc/49/23/63/547492363.db2.gz NGPNTWPWIHJNPK-OAHLLOKOSA-N 0 3 334.460 2.750 50 0 EFAAHN Cn1ccnc1CCN1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000670465757 547493979 /nfs/dbraw/zinc/49/39/79/547493979.db2.gz ZJDWAHJJNQKTEQ-IBGZPJMESA-N 0 3 327.472 2.668 50 0 EFAAHN Cn1ccnc1CCN1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000670465758 547494132 /nfs/dbraw/zinc/49/41/32/547494132.db2.gz ZJDWAHJJNQKTEQ-LJQANCHMSA-N 0 3 327.472 2.668 50 0 EFAAHN COCCN1CC[C@H](c2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000670472134 547495840 /nfs/dbraw/zinc/49/58/40/547495840.db2.gz SQPSBEDPVDVYDS-LBPRGKRZSA-N 0 3 340.349 2.722 50 0 EFAAHN CN1CCOC[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000230539109 564051120 /nfs/dbraw/zinc/05/11/20/564051120.db2.gz GNXAEKSBPGHVLU-QGZVFWFLSA-N 0 3 338.451 2.513 50 0 EFAAHN O=C(NC1CCCC1)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299804085 564060867 /nfs/dbraw/zinc/06/08/67/564060867.db2.gz XXCXELKBACUUMO-UHFFFAOYSA-N 0 3 330.472 2.710 50 0 EFAAHN NCc1nnc(NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)o1 ZINC001772709567 1249296652 /nfs/dbraw/zinc/29/66/52/1249296652.db2.gz KPJQODVCMWFDPF-CQSZACIVSA-N 0 3 335.839 2.821 50 0 EFAAHN NCc1nnc([N-]C[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)o1 ZINC001772709567 1249296660 /nfs/dbraw/zinc/29/66/60/1249296660.db2.gz KPJQODVCMWFDPF-CQSZACIVSA-N 0 3 335.839 2.821 50 0 EFAAHN CCOc1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1Cl ZINC001772711889 1249299911 /nfs/dbraw/zinc/29/99/11/1249299911.db2.gz YADHRXVCAGUAAH-RHSMWYFYSA-N 0 3 325.836 2.570 50 0 EFAAHN CCc1nccn1CCC(=O)N[C@H]1CCCN(Cc2cccs2)C1 ZINC000823557578 1265388660 /nfs/dbraw/zinc/38/86/60/1265388660.db2.gz WDFUIAASZDBCQQ-HNNXBMFYSA-N 0 3 346.500 2.678 50 0 EFAAHN Cc1c(F)cccc1CN1CCC(CNC(=O)c2ccon2)CC1 ZINC000828228730 1267681180 /nfs/dbraw/zinc/68/11/80/1267681180.db2.gz HCZHYRFGUBEVBM-UHFFFAOYSA-N 0 3 331.391 2.764 50 0 EFAAHN Nc1nc2c(s1)[C@@H](c1cc(CN3CCCC3)cs1)CC(=O)NC2 ZINC000065394342 1271185426 /nfs/dbraw/zinc/18/54/26/1271185426.db2.gz 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Cc1cc(N2CCC3(CC2)OCCc2c4ccccc4[nH]c23)nc(N)n1 ZINC001704343530 1417912855 /nfs/dbraw/zinc/91/28/55/1417912855.db2.gz IXHFKWGOUUPTFF-UHFFFAOYSA-N 0 3 349.438 2.917 50 0 EFAAHN c1ncn(C2CCCCC2)c1CN1CCC(N2CCOCC2)CC1 ZINC000244872984 716439641 /nfs/dbraw/zinc/43/96/41/716439641.db2.gz WHYIDGKTSNLWDD-UHFFFAOYSA-N 0 3 332.492 2.685 50 0 EFAAHN Cc1cc(C(=O)NCCN2CCCC[C@H]2CO)c(-c2ccccc2)o1 ZINC000097610287 219041777 /nfs/dbraw/zinc/04/17/77/219041777.db2.gz BDUCMJODUNKJTD-KRWDZBQOSA-N 0 3 342.439 2.832 50 0 EFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc2cccc(F)c2n1 ZINC000091819677 282095814 /nfs/dbraw/zinc/09/58/14/282095814.db2.gz NHVGYEDTKPHNHW-OAHLLOKOSA-N 0 3 345.418 2.557 50 0 EFAAHN CN1CCN2CCN(Cc3ccc(-c4ccccc4F)cc3)C[C@@H]2C1 ZINC000097679857 219047198 /nfs/dbraw/zinc/04/71/98/219047198.db2.gz KAODPGAVUFILTR-IBGZPJMESA-N 0 3 339.458 2.924 50 0 EFAAHN COC[C@H](C)N(Cc1cccc(F)c1)C(=O)CC1CCN(C)CC1 ZINC000097711707 219050003 /nfs/dbraw/zinc/05/00/03/219050003.db2.gz ROYJFKCAJNDAGG-HNNXBMFYSA-N 0 3 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ZINC000067673225 215177387 /nfs/dbraw/zinc/17/73/87/215177387.db2.gz RJFCKKKHJCRUSQ-INIZCTEOSA-N 0 3 339.439 2.819 50 0 EFAAHN O=C(NC[C@@H]1CCN(Cc2ccc3nonc3c2)C1)C1CCCCC1 ZINC000067673068 215177451 /nfs/dbraw/zinc/17/74/51/215177451.db2.gz FIOXQFWNOAZQSJ-HNNXBMFYSA-N 0 3 342.443 2.741 50 0 EFAAHN Cc1c2ccccc2oc1CN1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000067675815 215180570 /nfs/dbraw/zinc/18/05/70/215180570.db2.gz WVCYXMGAJYMOIY-AWEZNQCLSA-N 0 3 339.395 2.981 50 0 EFAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)c3cnco3)C2)cc1C ZINC000067675562 215181730 /nfs/dbraw/zinc/18/17/30/215181730.db2.gz LKLYQDDXLYBIIX-KRWDZBQOSA-N 0 3 327.428 2.933 50 0 EFAAHN CC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000067688327 215184621 /nfs/dbraw/zinc/18/46/21/215184621.db2.gz SOFDIUNXFSJHTA-QGZVFWFLSA-N 0 3 340.471 2.857 50 0 EFAAHN Cc1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)oc1C ZINC000067654221 215175226 /nfs/dbraw/zinc/17/52/26/215175226.db2.gz ZXIIRATZKZLRIG-DLBZAZTESA-N 0 3 329.396 2.976 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3ccco3)cnn2c1 ZINC000067713269 215190252 /nfs/dbraw/zinc/19/02/52/215190252.db2.gz CALHIGCVWDDODA-CYBMUJFWSA-N 0 3 341.415 2.655 50 0 EFAAHN NC1(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CCCC1 ZINC000067740988 215199259 /nfs/dbraw/zinc/19/92/59/215199259.db2.gz CTEJYBMDAHJPMF-RBUKOAKNSA-N 0 3 338.451 2.788 50 0 EFAAHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067741581 215200398 /nfs/dbraw/zinc/20/03/98/215200398.db2.gz CPZGMVFGIOOXHB-QLJPJBMISA-N 0 3 348.397 2.613 50 0 EFAAHN Cn1ccnc1-c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000067773605 215209337 /nfs/dbraw/zinc/20/93/37/215209337.db2.gz GYOOPJSRFZTYLM-KRWDZBQOSA-N 0 3 348.454 2.954 50 0 EFAAHN Cc1cccnc1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000067817618 215220126 /nfs/dbraw/zinc/22/01/26/215220126.db2.gz XGLORYHUMSHCJM-HNNXBMFYSA-N 0 3 327.403 2.781 50 0 EFAAHN COc1ccc(C2(C(=O)NC[C@@H]3CCCN(C)C3)CCCC2)cc1 ZINC000067820506 215221674 /nfs/dbraw/zinc/22/16/74/215221674.db2.gz 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/nfs/dbraw/zinc/25/13/32/215251332.db2.gz SMHCPJHUTCCETE-UHFFFAOYSA-N 0 3 327.384 2.577 50 0 EFAAHN O=C(NC[C@H]1CCCN(Cc2ccncc2)C1)C1(C(F)(F)F)CC1 ZINC000067935431 215254952 /nfs/dbraw/zinc/25/49/52/215254952.db2.gz ZXBDBXAWLWZIQP-CQSZACIVSA-N 0 3 341.377 2.752 50 0 EFAAHN Cc1ccc(OCc2occc2C(=O)NC[C@H]2CCN(C)C2)cc1 ZINC000067974852 215263584 /nfs/dbraw/zinc/26/35/84/215263584.db2.gz LGHQQVHXRRYOGS-OAHLLOKOSA-N 0 3 328.412 2.849 50 0 EFAAHN Cc1cnccc1C(=O)NCC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000067974089 215263604 /nfs/dbraw/zinc/26/36/04/215263604.db2.gz MEBRJXYGNOAFFC-QGZVFWFLSA-N 0 3 338.455 2.817 50 0 EFAAHN CSCC(=O)NC[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000067975629 215265786 /nfs/dbraw/zinc/26/57/86/215265786.db2.gz WNAHISZBJXFLKF-OAHLLOKOSA-N 0 3 331.485 2.859 50 0 EFAAHN O=C(Cc1noc2ccccc12)NC[C@H]1CCN(Cc2ccco2)C1 ZINC000067975660 215264786 /nfs/dbraw/zinc/26/47/86/215264786.db2.gz STMHXJILKQGSJA-CQSZACIVSA-N 0 3 339.395 2.602 50 0 EFAAHN OCC[C@H]1CN(Cc2nc3cc(F)ccc3[nH]2)CCN1C1CCCC1 ZINC000103803883 219324967 /nfs/dbraw/zinc/32/49/67/219324967.db2.gz XKDLUGOTSWOVAT-INIZCTEOSA-N 0 3 346.450 2.513 50 0 EFAAHN COc1ccc(CN2CCN(CC(C)C)C[C@H]2CCO)c(C)c1C ZINC000104395654 219383269 /nfs/dbraw/zinc/38/32/69/219383269.db2.gz GROSRWYDWQZNSW-LJQANCHMSA-N 0 3 334.504 2.837 50 0 EFAAHN Cc1nn2c(ncc3c2ccn(CCN(C)C)c3=O)c1-c1ccccc1 ZINC000040387985 213295995 /nfs/dbraw/zinc/29/59/95/213295995.db2.gz GIPTVALRIJOCMN-UHFFFAOYSA-N 0 3 347.422 2.581 50 0 EFAAHN COc1cccc(OC)c1CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039537374 213239204 /nfs/dbraw/zinc/23/92/04/213239204.db2.gz ABTLBUVPZURUAC-QGZVFWFLSA-N 0 3 348.487 2.515 50 0 EFAAHN CC(C)n1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cn1 ZINC000039454939 213238394 /nfs/dbraw/zinc/23/83/94/213238394.db2.gz ZBUIFASUCHVPIF-HXUWFJFHSA-N 0 3 348.535 2.913 50 0 EFAAHN CC(C)=CCN1CCN(Cc2cc(C)c(O)c(C)c2)C[C@H]1CCO ZINC000039405708 213236574 /nfs/dbraw/zinc/23/65/74/213236574.db2.gz NIVGVCYETHOTDA-LJQANCHMSA-N 0 3 332.488 2.844 50 0 EFAAHN C[C@H](NC[C@H](O)COCCOc1ccc(F)cc1)c1ccccc1 ZINC000038642103 213219892 /nfs/dbraw/zinc/21/98/92/213219892.db2.gz ZOTRJEOURCINOH-YJBOKZPZSA-N 0 3 333.403 2.933 50 0 EFAAHN CCc1ccccc1NC(=O)NCCNc1cc(N(C)C)nc(C)n1 ZINC000036708085 213110976 /nfs/dbraw/zinc/11/09/76/213110976.db2.gz CVFODGZVNFOAQH-UHFFFAOYSA-N 0 3 342.447 2.647 50 0 EFAAHN OCCOc1cccc(CN2CCCN(c3ccc(F)cc3)CC2)c1 ZINC000072143658 216028933 /nfs/dbraw/zinc/02/89/33/216028933.db2.gz FHFOVXBGYZHCDZ-UHFFFAOYSA-N 0 3 344.430 2.909 50 0 EFAAHN COC1(c2ccccc2)CCN(Cc2cc3n(n2)CCCNC3)CC1 ZINC000072144313 216030621 /nfs/dbraw/zinc/03/06/21/216030621.db2.gz QEOORGYGURQZPK-UHFFFAOYSA-N 0 3 340.471 2.514 50 0 EFAAHN CCCc1cc(NCC(C)(C)N2CCN(CC)CC2)n2nccc2n1 ZINC000072145134 216030956 /nfs/dbraw/zinc/03/09/56/216030956.db2.gz BKPVTDXQEOGKRU-UHFFFAOYSA-N 0 3 344.507 2.510 50 0 EFAAHN CN(Cc1cc2n(n1)CCCNC2)Cc1nc2ccccc2s1 ZINC000072150059 216038028 /nfs/dbraw/zinc/03/80/28/216038028.db2.gz XCEMJXNGVWDTIZ-UHFFFAOYSA-N 0 3 327.457 2.618 50 0 EFAAHN CC[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)CCN1C(C)C ZINC000072149159 216037091 /nfs/dbraw/zinc/03/70/91/216037091.db2.gz FLXWPWHGWRXVAL-OAQYLSRUSA-N 0 3 345.531 2.823 50 0 EFAAHN Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270586 216093690 /nfs/dbraw/zinc/09/36/90/216093690.db2.gz SVPGPJOHIBFJTK-DLBZAZTESA-N 0 3 329.444 2.646 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)c1ccc(OC(F)F)cc1)CCNC2 ZINC000072406815 216197323 /nfs/dbraw/zinc/19/73/23/216197323.db2.gz USSWFMKWIBECTJ-UHFFFAOYSA-N 0 3 347.365 2.567 50 0 EFAAHN c1cn(CCN2CCN(Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000072417965 216205802 /nfs/dbraw/zinc/20/58/02/216205802.db2.gz VXYVLKGPDDXUGP-UHFFFAOYSA-N 0 3 347.466 2.763 50 0 EFAAHN CN1CC2(CCN(Cc3ccc(CCC(C)(C)O)cc3)CC2)OC1=O ZINC000072419417 216208080 /nfs/dbraw/zinc/20/80/80/216208080.db2.gz CIHFPEKAMYMAOP-UHFFFAOYSA-N 0 3 346.471 2.807 50 0 EFAAHN c1ncc(CN2CCc3ncnc(NCC4=CCCCC4)c3CC2)[nH]1 ZINC000072421442 216209954 /nfs/dbraw/zinc/20/99/54/216209954.db2.gz ALNVYMIEVDWIJO-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/24/67/11/216246711.db2.gz SUJXJVXCMHAKCK-HWWITLHISA-N 0 3 342.487 2.557 50 0 EFAAHN Cc1cncc(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)c1 ZINC000067642933 238789885 /nfs/dbraw/zinc/78/98/85/238789885.db2.gz FPPNVXITJQFVAJ-HNNXBMFYSA-N 0 3 327.403 2.781 50 0 EFAAHN CN(C)[C@H]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000170861350 239131234 /nfs/dbraw/zinc/13/12/34/239131234.db2.gz PTIBUFKMGKMBJI-AWEZNQCLSA-N 0 3 329.366 2.593 50 0 EFAAHN O=C(c1c[nH]c(=O)c2ccccc12)N1CCCN(C2CCCC2)CC1 ZINC000191730783 239267889 /nfs/dbraw/zinc/26/78/89/239267889.db2.gz CYUMWAAIUJCVRV-UHFFFAOYSA-N 0 3 339.439 2.619 50 0 EFAAHN c1cc(-c2ccc(CN3CCC(n4cc(C5CC5)nn4)CC3)o2)n[nH]1 ZINC000023380061 212372708 /nfs/dbraw/zinc/37/27/08/212372708.db2.gz SQSIQYZXKQDULU-UHFFFAOYSA-N 0 3 338.415 2.976 50 0 EFAAHN CN(c1ccccc1)c1ccc(CN2CCN(C)[C@@H](CCO)C2)cc1 ZINC000023374709 212372412 /nfs/dbraw/zinc/37/24/12/212372412.db2.gz IVACGURDWMTGAV-NRFANRHFSA-N 0 3 339.483 2.953 50 0 EFAAHN CCCCCc1nnc(NC(=O)N(C)C2CCN(C)CC2)s1 ZINC000023380250 212372116 /nfs/dbraw/zinc/37/21/16/212372116.db2.gz YKJZSUIUXPWYKE-UHFFFAOYSA-N 0 3 325.482 2.829 50 0 EFAAHN CCOC(=O)C1CCN([C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000023282277 212365955 /nfs/dbraw/zinc/36/59/55/212365955.db2.gz OAPKAYKPBFVVIO-AWEZNQCLSA-N 0 3 335.444 2.910 50 0 EFAAHN COc1ccccc1[C@@H](CNCc1ccc2c(c1)OCCO2)N(C)C ZINC000023248969 212362959 /nfs/dbraw/zinc/36/29/59/212362959.db2.gz NAUVZOZOBGDEAY-QGZVFWFLSA-N 0 3 342.439 2.859 50 0 EFAAHN Cc1cccnc1C[C@H](C)N(C)Cc1cnc(N2CCOCC2)s1 ZINC000215127394 241107205 /nfs/dbraw/zinc/10/72/05/241107205.db2.gz YCRSESILZAJFIT-HNNXBMFYSA-N 0 3 346.500 2.746 50 0 EFAAHN O=C(CCOc1ccccc1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000215278043 241117200 /nfs/dbraw/zinc/11/72/00/241117200.db2.gz YSNTXCAKKJLITO-LJQANCHMSA-N 0 3 346.471 2.559 50 0 EFAAHN COc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1OCCN(C)C ZINC000216089551 241164663 /nfs/dbraw/zinc/16/46/63/241164663.db2.gz OJSOKKVVZNJQIB-QZTJIDSGSA-N 0 3 348.487 2.779 50 0 EFAAHN 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COc1ccc(-c2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)cn1 ZINC000095384814 218317235 /nfs/dbraw/zinc/31/72/35/218317235.db2.gz HFUPIWGOXNOERY-QGZVFWFLSA-N 0 3 335.411 2.796 50 0 EFAAHN CN(C)[C@H](C(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000095385360 218317490 /nfs/dbraw/zinc/31/74/90/218317490.db2.gz GHFOUWFZPLJAEN-SFHVURJKSA-N 0 3 333.451 2.515 50 0 EFAAHN O=C(NCCCc1ccncc1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095385995 218318011 /nfs/dbraw/zinc/31/80/11/218318011.db2.gz AYEYZUUGIJGTFP-KRWDZBQOSA-N 0 3 327.428 2.636 50 0 EFAAHN O=C(CCn1cnc2ccccc21)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268654540 252106684 /nfs/dbraw/zinc/10/66/84/252106684.db2.gz VRZXDQIMEHBTLJ-SFHVURJKSA-N 0 3 348.450 2.817 50 0 EFAAHN C[C@H](NC[C@@H](O)COC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000005073476 210385391 /nfs/dbraw/zinc/38/53/91/210385391.db2.gz FCYDSJVNZCQEOT-CGTJXYLNSA-N 0 3 343.423 2.555 50 0 EFAAHN CNc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)ccn1 ZINC000097334163 219012637 /nfs/dbraw/zinc/01/26/37/219012637.db2.gz 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/nfs/dbraw/zinc/09/43/16/258094316.db2.gz YOHQMTAVJDPEOV-KRWDZBQOSA-N 0 3 340.471 2.821 50 0 EFAAHN O=C(c1ccc2c(c1)CCCO2)N1CCC(N2CCSCC2)CC1 ZINC000299790544 258096458 /nfs/dbraw/zinc/09/64/58/258096458.db2.gz BLBIELXVWZIVQR-UHFFFAOYSA-N 0 3 346.496 2.665 50 0 EFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc2c1CCC2 ZINC000299800664 258104423 /nfs/dbraw/zinc/10/44/23/258104423.db2.gz UTZWYQQBAPODDK-MRXNPFEDSA-N 0 3 331.460 2.750 50 0 EFAAHN O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055060744 258061330 /nfs/dbraw/zinc/06/13/30/258061330.db2.gz BERQFLRYGJENAV-INIZCTEOSA-N 0 3 328.412 2.556 50 0 EFAAHN COCCN1CCC[C@@H](CN(C)C(=O)Nc2ccc(C)c(OC)c2)C1 ZINC000299758521 258075874 /nfs/dbraw/zinc/07/58/74/258075874.db2.gz MGBSWZDCNIQFPZ-INIZCTEOSA-N 0 3 349.475 2.826 50 0 EFAAHN CCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)cc2)n1 ZINC000299760509 258077376 /nfs/dbraw/zinc/07/73/76/258077376.db2.gz UZGHGSSJTFDLHF-OAHLLOKOSA-N 0 3 341.415 2.611 50 0 EFAAHN O=C1CC[C@H](CCNCc2ccccn2)N1Cc1ccc(F)cc1 ZINC000299764733 258080085 /nfs/dbraw/zinc/08/00/85/258080085.db2.gz KGMQTSRFEHEWNB-GOSISDBHSA-N 0 3 327.403 2.892 50 0 EFAAHN CCc1nccn1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000299766896 258081514 /nfs/dbraw/zinc/08/15/14/258081514.db2.gz UOFQCZLURLEPOU-QGZVFWFLSA-N 0 3 344.434 2.538 50 0 EFAAHN CNCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067688334 273958131 /nfs/dbraw/zinc/95/81/31/273958131.db2.gz QBMWDWCHPRRHDB-UHFFFAOYSA-N 0 3 346.814 2.653 50 0 EFAAHN C[C@](CO)(NCC1=CCCOC1)c1ccc(Br)cc1 ZINC000285553120 274024012 /nfs/dbraw/zinc/02/40/12/274024012.db2.gz QWVPPERAUVOCCW-OAHLLOKOSA-N 0 3 326.234 2.593 50 0 EFAAHN COc1ccc2c(C)nc(N3CCC[C@]4(CCN(C)C4)C3)nc2c1 ZINC000067881367 274120974 /nfs/dbraw/zinc/12/09/74/274120974.db2.gz CTINJVOPJXJELZ-LJQANCHMSA-N 0 3 326.444 2.869 50 0 EFAAHN COc1nc2ccccc2cc1CN1CC[C@@]2(C1)CCCN(C)C2=O ZINC000072431519 274168652 /nfs/dbraw/zinc/16/86/52/274168652.db2.gz VDSMEZCBRBHWBZ-HXUWFJFHSA-N 0 3 339.439 2.688 50 0 EFAAHN CS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@@H]1N1CCCCC1 ZINC000004958061 274173358 /nfs/dbraw/zinc/17/33/58/274173358.db2.gz JQILUMBUNLQQNH-MSOLQXFVSA-N 0 3 330.453 2.971 50 0 EFAAHN O=C1Nc2ccccc2NC12CCN(Cc1cccc3nonc31)CC2 ZINC000082121605 275026112 /nfs/dbraw/zinc/02/61/12/275026112.db2.gz NJBBZTVFXXCXMW-UHFFFAOYSA-N 0 3 349.394 2.622 50 0 EFAAHN CC(=O)Nn1c(C)cc(CN2CCC(c3ccncc3)CC2)c1C ZINC000071751684 275498164 /nfs/dbraw/zinc/49/81/64/275498164.db2.gz HWONQSXCNTXDJG-UHFFFAOYSA-N 0 3 326.444 2.970 50 0 EFAAHN C[C@H](NC[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000005911973 279487854 /nfs/dbraw/zinc/48/78/54/279487854.db2.gz HEBNAYZDCNQROW-NJSLBKSFSA-N 0 3 327.380 2.645 50 0 biogenic EFAAHN Cc1ccsc1[C@@H](CNc1nc(C)nc2c1cnn2C)N(C)C ZINC000072163520 302305348 /nfs/dbraw/zinc/30/53/48/302305348.db2.gz HOUDDKCIMNDYIO-CYBMUJFWSA-N 0 3 330.461 2.756 50 0 EFAAHN O[C@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685430 323210332 /nfs/dbraw/zinc/21/03/32/323210332.db2.gz 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CCCc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)[nH]n1 ZINC000096160279 473319469 /nfs/dbraw/zinc/31/94/69/473319469.db2.gz USTYCWDXCYZIQJ-MRXNPFEDSA-N 0 3 326.444 2.582 50 0 EFAAHN CCOCCc1nc(CC2CCN(C)CC2)nn1-c1ccc(F)cc1 ZINC000096149330 473315276 /nfs/dbraw/zinc/31/52/76/473315276.db2.gz DFTADNDXBDDDCS-UHFFFAOYSA-N 0 3 346.450 2.870 50 0 EFAAHN COc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000096163772 473321197 /nfs/dbraw/zinc/32/11/97/473321197.db2.gz HQLRWQYTQANKLV-KRWDZBQOSA-N 0 3 340.427 2.876 50 0 EFAAHN CCc1nc2cc(NC(=O)N[C@H]3CN4CCC3CC4)ccc2n1CC ZINC000096180399 473323341 /nfs/dbraw/zinc/32/33/41/473323341.db2.gz AILYKDPKNIQHRV-INIZCTEOSA-N 0 3 341.459 2.834 50 0 EFAAHN CN(C)CCn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21 ZINC000096318994 473375718 /nfs/dbraw/zinc/37/57/18/473375718.db2.gz IXGJTGSPFBCMPT-BXUZGUMPSA-N 0 3 348.493 2.718 50 0 EFAAHN C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000000005936 471317839 /nfs/dbraw/zinc/31/78/39/471317839.db2.gz QEMSVZNTSXPFJA-HNAYVOBHSA-N 0 3 327.424 2.798 50 0 investigational EFAAHN COc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000000103608 471322846 /nfs/dbraw/zinc/32/28/46/471322846.db2.gz SNYIUXQRMJPSDW-UHFFFAOYSA-N 0 3 339.439 2.846 50 0 EFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000000207307 471334175 /nfs/dbraw/zinc/33/41/75/471334175.db2.gz ABYZJNSBCBPJEZ-INIZCTEOSA-N 0 3 334.460 2.784 50 0 EFAAHN COc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c(OC)c1 ZINC000000212283 471336128 /nfs/dbraw/zinc/33/61/28/471336128.db2.gz FFOXUMWZCBRROC-QGZVFWFLSA-N 0 3 346.471 2.928 50 0 EFAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000000240435 471338731 /nfs/dbraw/zinc/33/87/31/471338731.db2.gz LFUNNQKKBSPAJW-OAHLLOKOSA-N 0 3 334.460 2.784 50 0 EFAAHN CCN(CC)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000000299610 471344700 /nfs/dbraw/zinc/34/47/00/471344700.db2.gz UVJWSBVONVHXTR-UHFFFAOYSA-N 0 3 334.460 2.784 50 0 EFAAHN O=C(c1ccncc1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000000317072 471346918 /nfs/dbraw/zinc/34/69/18/471346918.db2.gz WHKHFTCTKHFRLC-UHFFFAOYSA-N 0 3 325.456 2.664 50 0 EFAAHN c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 ZINC000000336023 471348021 /nfs/dbraw/zinc/34/80/21/471348021.db2.gz KTHPCIRABJFDML-UHFFFAOYSA-N 0 3 347.426 2.768 50 0 EFAAHN COc1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1OC ZINC000000819318 471377260 /nfs/dbraw/zinc/37/72/60/471377260.db2.gz ZDBRHKBNTWYIJN-UHFFFAOYSA-N 0 3 346.471 2.975 50 0 EFAAHN CCN(CC)CCOC(=O)c1c(C)nc2n(C)c3ccccc3n21 ZINC000001845789 471398791 /nfs/dbraw/zinc/39/87/91/471398791.db2.gz WYCBZOVKQIXMHU-UHFFFAOYSA-N 0 3 328.416 2.633 50 0 EFAAHN CCCCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000002857448 471425738 /nfs/dbraw/zinc/42/57/38/471425738.db2.gz YWIIJOBLJKINIP-KRWDZBQOSA-N 0 3 331.460 2.568 50 0 EFAAHN O=C(NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000003226059 471436106 /nfs/dbraw/zinc/43/61/06/471436106.db2.gz HTABTIBITREGEC-UHFFFAOYSA-N 0 3 343.452 2.549 50 0 EFAAHN COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)nc1 ZINC000005245279 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C[C@@H]1CCCCN1C1CN(CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000240500004 474550611 /nfs/dbraw/zinc/55/06/11/474550611.db2.gz NQLDGIFEYZNKGD-OAHLLOKOSA-N 0 3 349.906 2.905 50 0 EFAAHN CN1CCN2CCN(Cc3ccc(-c4ccccc4F)cc3)C[C@H]2C1 ZINC000244701120 474565010 /nfs/dbraw/zinc/56/50/10/474565010.db2.gz KAODPGAVUFILTR-LJQANCHMSA-N 0 3 339.458 2.924 50 0 EFAAHN COc1coc(CN2CCCC[C@H]2CCn2ccnc2C)cc1=O ZINC000252494891 474679064 /nfs/dbraw/zinc/67/90/64/474679064.db2.gz OHLUQPWGXXDGEN-HNNXBMFYSA-N 0 3 331.416 2.598 50 0 EFAAHN CC1CCN(C(=O)CN2CCNC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000261654085 475012575 /nfs/dbraw/zinc/01/25/75/475012575.db2.gz HPLCBQMZEPAJMD-QGZVFWFLSA-N 0 3 335.879 2.545 50 0 EFAAHN CCN1CC[C@@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000413818981 476746628 /nfs/dbraw/zinc/74/66/28/476746628.db2.gz POINIJVSQUVNBY-CQSZACIVSA-N 0 3 329.366 2.941 50 0 EFAAHN CN1CCC[C@@H](CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000426415671 477709111 /nfs/dbraw/zinc/70/91/11/477709111.db2.gz UWIHGGWGHLAXHE-HNNXBMFYSA-N 0 3 349.450 2.720 50 0 EFAAHN CCOCCCNC(=O)c1ccc(-c2c(C)cc(N)nc2C)cc1 ZINC000426498744 477711734 /nfs/dbraw/zinc/71/17/34/477711734.db2.gz PYIWLHNJQDFTMS-UHFFFAOYSA-N 0 3 327.428 3.104 50 0 EFAAHN O=C(NCCN1CCCCC1)N(Cc1ccco1)Cc1ccccn1 ZINC000426518967 477713502 /nfs/dbraw/zinc/71/35/02/477713502.db2.gz MMRGGKYZEKWHGO-UHFFFAOYSA-N 0 3 342.443 2.872 50 0 EFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000426649397 477731987 /nfs/dbraw/zinc/73/19/87/477731987.db2.gz AOILNCOGCJEKSQ-HNNXBMFYSA-N 0 3 339.505 2.699 50 0 EFAAHN CN(CCOc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCCN1C ZINC000426647847 477732902 /nfs/dbraw/zinc/73/29/02/477732902.db2.gz AFTPHSDKKXTNLT-HNNXBMFYSA-N 0 3 339.867 2.845 50 0 EFAAHN COc1ccccc1CCCNC(=O)N1CC(N2CCCC[C@H]2C)C1 ZINC000426690300 477738615 /nfs/dbraw/zinc/73/86/15/477738615.db2.gz NCUFGISDTYCJEX-MRXNPFEDSA-N 0 3 345.487 2.896 50 0 EFAAHN O=C(Nc1cnns1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000426698212 477738917 /nfs/dbraw/zinc/73/89/17/477738917.db2.gz JHWOVMSKRHRYHE-UHFFFAOYSA-N 0 3 343.456 2.593 50 0 EFAAHN Cc1cc(C(=O)NC[C@@H]2COCCN(C)C2)c2ccc(Cl)cc2n1 ZINC000426740398 477745416 /nfs/dbraw/zinc/74/54/16/477745416.db2.gz HBDOMRVCQRGVAP-ZDUSSCGKSA-N 0 3 347.846 2.505 50 0 EFAAHN CC1CCN(C(C)(C)CNC(=O)N2CC(c3ccccn3)C2)CC1 ZINC000534586009 478160883 /nfs/dbraw/zinc/16/08/83/478160883.db2.gz YOKWUCNJXWBZRW-UHFFFAOYSA-N 0 3 330.476 2.701 50 0 EFAAHN CN(C(=O)NCCCSCc1ccco1)C1CCN(C)CC1 ZINC000534658194 478167358 /nfs/dbraw/zinc/16/73/58/478167358.db2.gz LUUDAFPMQHAERK-UHFFFAOYSA-N 0 3 325.478 2.639 50 0 EFAAHN CN(C(=O)NCCC1(O)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534655978 478167435 /nfs/dbraw/zinc/16/74/35/478167435.db2.gz NFDOESNTWAGFRP-GOSISDBHSA-N 0 3 345.487 2.598 50 0 EFAAHN C[C@H](CNC(=O)N(C)Cc1nc2cc(F)ccc2[nH]1)N1CCCCC1 ZINC000584886394 479271006 /nfs/dbraw/zinc/27/10/06/479271006.db2.gz VAWASKRVITZLSA-CYBMUJFWSA-N 0 3 347.438 2.718 50 0 EFAAHN O=C(N[C@H]1CCCN(C2CCCC2)C1)N(CCO)Cc1ccccc1 ZINC000584887685 479271038 /nfs/dbraw/zinc/27/10/38/479271038.db2.gz RUHPXFZVORXSRS-SFHVURJKSA-N 0 3 345.487 2.598 50 0 EFAAHN Cc1ccc(OC2CN(C(=O)NC[C@@H](C)N3CCCCC3)C2)cc1 ZINC000584895610 479274288 /nfs/dbraw/zinc/27/42/88/479274288.db2.gz QQZLTBNGOUVIMV-MRXNPFEDSA-N 0 3 331.460 2.642 50 0 EFAAHN CN(C/C=C/c1ccccc1)C(=O)NCCCOC1CCN(C)CC1 ZINC000584900839 479276820 /nfs/dbraw/zinc/27/68/20/479276820.db2.gz XLWLXNOUJFZBIP-UXBLZVDNSA-N 0 3 345.487 2.842 50 0 EFAAHN O=C(/C=C/c1ccccc1Cl)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575615353 479455869 /nfs/dbraw/zinc/45/58/69/479455869.db2.gz CZNHNQCEMXQUIT-RTRPANQVSA-N 0 3 348.874 2.970 50 0 EFAAHN O=C(/C=C/c1ccccc1Cl)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575615341 479456615 /nfs/dbraw/zinc/45/66/15/479456615.db2.gz CZNHNQCEMXQUIT-FUTAKVPZSA-N 0 3 348.874 2.970 50 0 EFAAHN Cc1ccsc1[C@@H]1CCN(Cc2ccccc2OCCO)C[C@H]1O ZINC000065397641 518191466 /nfs/dbraw/zinc/19/14/66/518191466.db2.gz HUYCIUHCBNSHPS-IAGOWNOFSA-N 0 3 347.480 2.778 50 0 EFAAHN CC(C)NS(=O)(=O)CCNCC(c1ccccc1)c1ccccc1 ZINC000180233625 519731229 /nfs/dbraw/zinc/73/12/29/519731229.db2.gz NBGPXVXGPXJVKP-UHFFFAOYSA-N 0 3 346.496 2.736 50 0 EFAAHN CC[C@H](CO)NCc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1 ZINC000004840500 522226637 /nfs/dbraw/zinc/22/66/37/522226637.db2.gz DTLJXMDJHIJUFG-QZTJIDSGSA-N 0 3 345.439 2.668 50 0 EFAAHN COc1cccc(-c2noc3c2CN(CCCn2cccn2)CC3)c1 ZINC000012835099 525742800 /nfs/dbraw/zinc/74/28/00/525742800.db2.gz QLBKJRNKUASVRX-UHFFFAOYSA-N 0 3 338.411 2.995 50 0 EFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)C(=O)c2cccnc2)cc1 ZINC000215102703 536021100 /nfs/dbraw/zinc/02/11/00/536021100.db2.gz KRPOCXKSWWJPQN-SFHVURJKSA-N 0 3 337.423 2.690 50 0 EFAAHN CN(C)Cc1csc(CN2CCCN(Cc3cccnc3)CC2)c1 ZINC000216084499 536061029 /nfs/dbraw/zinc/06/10/29/536061029.db2.gz GYZCKFHEDXTILB-UHFFFAOYSA-N 0 3 344.528 2.913 50 0 EFAAHN CN(CCC(=O)Nc1nccs1)Cc1n[nH]c2c1CCCCC2 ZINC000244708167 536307770 /nfs/dbraw/zinc/30/77/70/536307770.db2.gz KOWCNSDMGVKMQH-UHFFFAOYSA-N 0 3 333.461 2.596 50 0 EFAAHN CN(CCCCN1CCOCC1)Cc1ccc2cc(F)ccc2n1 ZINC000215259526 536334545 /nfs/dbraw/zinc/33/45/45/536334545.db2.gz QKKNDTJUTUWPLS-UHFFFAOYSA-N 0 3 331.435 2.918 50 0 EFAAHN CN1CCCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)CC1 ZINC000244817135 536360700 /nfs/dbraw/zinc/36/07/00/536360700.db2.gz SUUOLOGGJJNUHQ-GOSISDBHSA-N 0 3 333.451 2.517 50 0 EFAAHN COC[C@@H]1CCCN1Cc1ccccc1OCC(=O)N1CCCCC1 ZINC000215047923 536766002 /nfs/dbraw/zinc/76/60/02/536766002.db2.gz FKGCTMUIEVIEPH-SFHVURJKSA-N 0 3 346.471 2.689 50 0 EFAAHN COc1ccc(CN(CCn2ccc(C)n2)C[C@H]2CCCO2)cc1 ZINC000244873477 536858536 /nfs/dbraw/zinc/85/85/36/536858536.db2.gz WRCFUOFBFQZWFD-LJQANCHMSA-N 0 3 329.444 2.881 50 0 EFAAHN O=C(CCCc1cn[nH]c1)NC1CCN(Cc2cccs2)CC1 ZINC000670439988 547489539 /nfs/dbraw/zinc/48/95/39/547489539.db2.gz WUVLWTHAQZEPDD-UHFFFAOYSA-N 0 3 332.473 2.575 50 0 EFAAHN O=C(NCCN1CCCC[C@H]1CO)c1ccccc1-c1ccccc1 ZINC000670445213 547489914 /nfs/dbraw/zinc/48/99/14/547489914.db2.gz VLCHFQLPYGBSCG-SFHVURJKSA-N 0 3 338.451 2.930 50 0 EFAAHN O=C(NCCN1CCCC[C@@H]1CO)c1ccccc1-c1ccccc1 ZINC000670445212 547490428 /nfs/dbraw/zinc/49/04/28/547490428.db2.gz VLCHFQLPYGBSCG-GOSISDBHSA-N 0 3 338.451 2.930 50 0 EFAAHN CCOC(=O)N1CCC(N(C)Cc2cc(-c3ccccn3)no2)CC1 ZINC000670450279 547491606 /nfs/dbraw/zinc/49/16/06/547491606.db2.gz VJHXTSYQCXZPHT-UHFFFAOYSA-N 0 3 344.415 2.789 50 0 EFAAHN N[C@H](Cc1ccccc1)c1nnc([N-]CC[NH+]2CCCCCC2)o1 ZINC001772703944 1249288244 /nfs/dbraw/zinc/28/82/44/1249288244.db2.gz LFXFUWKDUSWNJQ-MRXNPFEDSA-N 0 3 329.448 2.600 50 0 EFAAHN NCc1nnc(NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)o1 ZINC001772709559 1249295972 /nfs/dbraw/zinc/29/59/72/1249295972.db2.gz KPJQODVCMWFDPF-AWEZNQCLSA-N 0 3 335.839 2.821 50 0 EFAAHN NCc1nnc([N-]C[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)o1 ZINC001772709559 1249295979 /nfs/dbraw/zinc/29/59/79/1249295979.db2.gz KPJQODVCMWFDPF-AWEZNQCLSA-N 0 3 335.839 2.821 50 0 EFAAHN O=C(CCc1cccnc1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011821034 1264008756 /nfs/dbraw/zinc/00/87/56/1264008756.db2.gz CYUCGNRWDPGCSA-FQEVSTJZSA-N 0 3 337.467 2.838 50 0 EFAAHN CC[C@@H](C)Oc1ccccc1CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000822645475 1265109383 /nfs/dbraw/zinc/10/93/83/1265109383.db2.gz NTNWYZQGGUCNSU-CYBMUJFWSA-N 0 3 329.448 2.944 50 0 EFAAHN O=C(CCc1ccncc1)NC[C@H]1CCCN(Cc2ccoc2)C1 ZINC000827822369 1267492723 /nfs/dbraw/zinc/49/27/23/1267492723.db2.gz BYFBCYXFYQRNQC-QGZVFWFLSA-N 0 3 327.428 2.636 50 0 EFAAHN Cc1n[nH]c(C)c1CC(=O)NCCN1CCC[C@H](c2ccccc2)C1 ZINC000827847777 1267503157 /nfs/dbraw/zinc/50/31/57/1267503157.db2.gz NPVHUHAAEZNCFE-SFHVURJKSA-N 0 3 340.471 2.565 50 0 EFAAHN O=C(Cc1cccnc1)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000827854369 1267503893 /nfs/dbraw/zinc/50/38/93/1267503893.db2.gz NZKZYIOQCQGGIA-INIZCTEOSA-N 0 3 329.469 2.714 50 0 EFAAHN CC(=O)c1cccc(CN[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000012439908 1268388264 /nfs/dbraw/zinc/38/82/64/1268388264.db2.gz DSICQNXEBUNRFO-FQEVSTJZSA-N 0 3 336.435 2.822 50 0 EFAAHN Cn1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000012577581 1276330057 /nfs/dbraw/zinc/33/00/57/1276330057.db2.gz OYQQLKFEWLFMGJ-GOSISDBHSA-N 0 3 333.863 2.891 50 0 EFAAHN CC[C@@H](C(=O)N(Cc1ccncc1)Cc1ccncc1)N(C)CC ZINC000952868518 1284887201 /nfs/dbraw/zinc/88/72/01/1284887201.db2.gz ASSFGRNNMJSDEE-SFHVURJKSA-N 0 3 326.444 2.736 50 0 EFAAHN CC(C)n1c(CNCCN2CCCC[C@@H]2CO)nc2ccccc21 ZINC000952965547 1284924196 /nfs/dbraw/zinc/92/41/96/1284924196.db2.gz QDOFXNOVZRTISX-MRXNPFEDSA-N 0 3 330.476 2.554 50 0 EFAAHN CC(C)n1c(CNCCN2CCCC[C@H]2CO)nc2ccccc21 ZINC000952965545 1284924441 /nfs/dbraw/zinc/92/44/41/1284924441.db2.gz QDOFXNOVZRTISX-INIZCTEOSA-N 0 3 330.476 2.554 50 0 EFAAHN O=C(c1ccncc1)N1CCC(N2CCOc3ccccc3C2)CC1 ZINC000952974962 1284947629 /nfs/dbraw/zinc/94/76/29/1284947629.db2.gz KASUSCJYEWCBLR-UHFFFAOYSA-N 0 3 337.423 2.581 50 0 EFAAHN Cc1ccc([C@H](CNC(=O)CCN2CCCCCC2=O)N(C)C)cc1 ZINC000952979224 1284957921 /nfs/dbraw/zinc/95/79/21/1284957921.db2.gz UBHIFYUYMHJQIE-SFHVURJKSA-N 0 3 345.487 2.507 50 0 EFAAHN CCCCN(Cc1sccc1C)C(=O)C[C@@H]1CN(C)CCN1C ZINC000065528766 1294035655 /nfs/dbraw/zinc/03/56/55/1294035655.db2.gz JTHHPFVPYWVASV-MRXNPFEDSA-N 0 3 337.533 2.821 50 0 EFAAHN CCOC(=O)N1CCC(N2CCN(c3ccccc3C)CC2)CC1 ZINC000000220814 1302061634 /nfs/dbraw/zinc/06/16/34/1302061634.db2.gz KXFAMVBROUWNIE-UHFFFAOYSA-N 0 3 331.460 2.738 50 0 EFAAHN O=C(c1ccco1)N1CC[C@H]2[C@H](CCCN2Cc2cccnc2)C1 ZINC000020166285 1314604938 /nfs/dbraw/zinc/60/49/38/1314604938.db2.gz DCIJMBOASUUPFU-SJORKVTESA-N 0 3 325.412 2.801 50 0 EFAAHN c1csc(CN2CCCN(Cc3cccc4nonc43)CC2)c1 ZINC001506403204 1405751737 /nfs/dbraw/zinc/75/17/37/1405751737.db2.gz SHPBEXBGHVCJON-UHFFFAOYSA-N 0 3 328.441 2.992 50 0 EFAAHN CCc1nccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)n1 ZINC001704280464 1417898435 /nfs/dbraw/zinc/89/84/35/1417898435.db2.gz VDPSHTRKBNNXQP-OXQOHEQNSA-N 0 3 348.450 2.623 50 0 EFAAHN Cc1ccsc1[C@H](CNc1nc(C)c(C)cc1C(N)=O)N(C)C ZINC001704304388 1417902059 /nfs/dbraw/zinc/90/20/59/1417902059.db2.gz QXUVUMAWHKNHQX-AWEZNQCLSA-N 0 3 332.473 2.882 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1 ZINC001704311247 1417904361 /nfs/dbraw/zinc/90/43/61/1417904361.db2.gz AYWYRKWTNUOJQR-UHFFFAOYSA-N 0 3 334.851 2.504 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1ccc(C)cc1 ZINC001704311910 1417904385 /nfs/dbraw/zinc/90/43/85/1417904385.db2.gz WPAUYPUWYCVMGS-UHFFFAOYSA-N 0 3 328.460 2.550 50 0 EFAAHN CN(C)CCN(Cc1c[nH]cn1)C(=O)c1scc2c1CCCC2 ZINC001704325507 1417906748 /nfs/dbraw/zinc/90/67/48/1417906748.db2.gz NSFOHKGXWKRFGT-UHFFFAOYSA-N 0 3 332.473 2.554 50 0 EFAAHN Cc1cc(Cl)ccc1OC[C@H](O)CN(CCO)Cc1ccccc1 ZINC000022147115 713853704 /nfs/dbraw/zinc/85/37/04/713853704.db2.gz FJZSPVYGGKOIHV-GOSISDBHSA-N 0 3 349.858 2.883 50 0 EFAAHN Cc1nc2ccccn2c1CN1CCC[C@H](CCC(=O)N(C)C)C1 ZINC000072139098 282090646 /nfs/dbraw/zinc/09/06/46/282090646.db2.gz HULQMAVXJYDKGO-MRXNPFEDSA-N 0 3 328.460 2.723 50 0 EFAAHN COc1ccc(CN(C)Cc2nnc(C)o2)cc1CN1CCCC1 ZINC000097713470 219050200 /nfs/dbraw/zinc/05/02/00/219050200.db2.gz NPVBLYJNUQHLSB-UHFFFAOYSA-N 0 3 330.432 2.614 50 0 EFAAHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000090699633 282141574 /nfs/dbraw/zinc/14/15/74/282141574.db2.gz BQPXLMPWMFOJAD-SFHVURJKSA-N 0 3 343.496 2.987 50 0 EFAAHN O=C1C[C@H](NCCc2cccs2)C(=O)N1c1ccc(Cl)cc1 ZINC000004689941 210248912 /nfs/dbraw/zinc/24/89/12/210248912.db2.gz YUVJPKJLFYOHMG-AWEZNQCLSA-N 0 3 334.828 2.866 50 0 EFAAHN O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1cc2ccccc2s1 ZINC000055386245 214315231 /nfs/dbraw/zinc/31/52/31/214315231.db2.gz GQHPOBVVMWEFAG-LJQANCHMSA-N 0 3 344.480 2.754 50 0 EFAAHN O=C(c1cnc2c(c1)CCCC2)N1CCC(N2CCSCC2)CC1 ZINC000097766233 219055963 /nfs/dbraw/zinc/05/59/63/219055963.db2.gz KXHBDAUFLDUUOC-UHFFFAOYSA-N 0 3 345.512 2.614 50 0 EFAAHN CCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cn1 ZINC000055393570 214318166 /nfs/dbraw/zinc/31/81/66/214318166.db2.gz RQBNSZRIBCANJB-UHFFFAOYSA-N 0 3 332.473 2.613 50 0 EFAAHN OCCCc1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055568885 214330238 /nfs/dbraw/zinc/33/02/38/214330238.db2.gz USBLSVFOAXPQLS-HNQUOIGGSA-N 0 3 344.434 2.692 50 0 EFAAHN COc1cccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000004688593 210247296 /nfs/dbraw/zinc/24/72/96/210247296.db2.gz YJANRONIWZZKHJ-ZMSDIMECSA-N 0 3 344.455 2.650 50 0 EFAAHN CCCCSc1ncc(CN2CCC3(COC(=O)O3)CC2)cn1 ZINC000097797368 219058041 /nfs/dbraw/zinc/05/80/41/219058041.db2.gz RILONVWSNKNNDK-UHFFFAOYSA-N 0 3 337.445 2.870 50 0 EFAAHN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCCCN1C ZINC000091690158 282199709 /nfs/dbraw/zinc/19/97/09/282199709.db2.gz NVSLQXKEALXSDD-SFHVURJKSA-N 0 3 326.444 2.671 50 0 EFAAHN CC[C@]1(C)C[C@H]([C@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 ZINC000004025606 210102172 /nfs/dbraw/zinc/10/21/72/210102172.db2.gz RMOMIOWOQMAUHS-GPMSIDNRSA-N 0 3 337.460 2.750 50 0 biogenic EFAAHN C[C@@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)N1CCCC1 ZINC000102546668 219210183 /nfs/dbraw/zinc/21/01/83/219210183.db2.gz BDFIXOAMMXFXKV-ZDUSSCGKSA-N 0 3 342.418 2.585 50 0 EFAAHN C[C@@H](C(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c2C1)N1CCCC1 ZINC000102546668 219210185 /nfs/dbraw/zinc/21/01/85/219210185.db2.gz BDFIXOAMMXFXKV-ZDUSSCGKSA-N 0 3 342.418 2.585 50 0 EFAAHN C[C@@H](NC(=O)CCN(C)Cc1n[nH]c2c1CCC2)c1ccccc1 ZINC000067513763 215156279 /nfs/dbraw/zinc/15/62/79/215156279.db2.gz WZZLMQFSYSLFHZ-CQSZACIVSA-N 0 3 326.444 2.598 50 0 EFAAHN O=C(CCc1ccncc1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000067472858 215151144 /nfs/dbraw/zinc/15/11/44/215151144.db2.gz RVETWSOUZDNHFH-UHFFFAOYSA-N 0 3 349.478 2.716 50 0 EFAAHN O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CCN(Cc2ccco2)C1 ZINC000067603455 215167539 /nfs/dbraw/zinc/16/75/39/215167539.db2.gz HMZYHYXQLWIKQV-HNNXBMFYSA-N 0 3 337.423 2.942 50 0 EFAAHN CC[C@H](NCCc1[nH]nc2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673828 215179481 /nfs/dbraw/zinc/17/94/81/215179481.db2.gz QSXMONUNMBUVIG-INIZCTEOSA-N 0 3 326.444 2.838 50 0 EFAAHN CC[C@H](NCCc1n[nH]c2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673828 215179484 /nfs/dbraw/zinc/17/94/84/215179484.db2.gz QSXMONUNMBUVIG-INIZCTEOSA-N 0 3 326.444 2.838 50 0 EFAAHN c1ccc(-c2nc3c(c(NCc4[nH]nc5c4CCC5)n2)CCNC3)cc1 ZINC000067674830 215180726 /nfs/dbraw/zinc/18/07/26/215180726.db2.gz FGHTTXJYOLAHOG-UHFFFAOYSA-N 0 3 346.438 2.613 50 0 EFAAHN c1ccc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CCNC3)cc1 ZINC000067674830 215180729 /nfs/dbraw/zinc/18/07/29/215180729.db2.gz FGHTTXJYOLAHOG-UHFFFAOYSA-N 0 3 346.438 2.613 50 0 EFAAHN Cc1c2ccccc2oc1CN1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000067675814 215180828 /nfs/dbraw/zinc/18/08/28/215180828.db2.gz WVCYXMGAJYMOIY-CQSZACIVSA-N 0 3 339.395 2.981 50 0 EFAAHN Cc1cccc([C@@H](C(=O)NCCc2n[nH]c3c2CCCC3)N(C)C)c1 ZINC000067674907 215181832 /nfs/dbraw/zinc/18/18/32/215181832.db2.gz WDFPNBCAPUBDPS-IBGZPJMESA-N 0 3 340.471 2.559 50 0 EFAAHN O=C(NCc1ccccc1)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC000067688786 215184497 /nfs/dbraw/zinc/18/44/97/215184497.db2.gz GSRNLNRPRUKITB-GOSISDBHSA-N 0 3 338.455 2.793 50 0 EFAAHN COc1cc(Oc2ncccc2C(N)=O)ccc1CN1CCCC1 ZINC000067654329 215175367 /nfs/dbraw/zinc/17/53/67/215175367.db2.gz PKDSBFIPOGIWIJ-UHFFFAOYSA-N 0 3 327.384 2.577 50 0 EFAAHN O=C(NC[C@@H]1CCCN(Cc2ccccn2)C1)c1nc2ccccc2[nH]1 ZINC000067740550 215198514 /nfs/dbraw/zinc/19/85/14/215198514.db2.gz ICLWHCDVFUIMLU-HNNXBMFYSA-N 0 3 349.438 2.600 50 0 EFAAHN Cc1oc(C(C)C)cc1C(=O)N1CCN(C)C2(CCN(C)CC2)C1 ZINC000067742980 215200719 /nfs/dbraw/zinc/20/07/19/215200719.db2.gz RWFHTNJLQSKTNR-UHFFFAOYSA-N 0 3 333.476 2.563 50 0 EFAAHN COc1cccc(CN2CC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000067755953 215205384 /nfs/dbraw/zinc/20/53/84/215205384.db2.gz JVDKYHPBIZFUDJ-CYBMUJFWSA-N 0 3 330.350 2.586 50 0 EFAAHN CNc1ccc(C(=O)NC[C@H]2CCN(CCC(F)(F)F)C2)cc1 ZINC000067783668 215210295 /nfs/dbraw/zinc/21/02/95/215210295.db2.gz MWORUYZEJLEOKC-GFCCVEGCSA-N 0 3 329.366 2.732 50 0 EFAAHN Nc1cccc(C(=O)NCC[C@H]2CCCN(Cc3ccco3)C2)c1 ZINC000067817081 215219476 /nfs/dbraw/zinc/21/94/76/215219476.db2.gz KFWPLVLRRZXNIR-OAHLLOKOSA-N 0 3 327.428 2.894 50 0 EFAAHN Cc1noc(C)c1CN[C@H](C)COc1ccc2ccc(=O)oc2c1 ZINC000067822088 215223183 /nfs/dbraw/zinc/22/31/83/215223183.db2.gz MDEJNEDRAFUPFB-LLVKDONJSA-N 0 3 328.368 2.955 50 0 EFAAHN COc1ccc2[nH]c(CN3CCC(CNC(C)=O)CC3)c(C)c2c1 ZINC000067840084 215225847 /nfs/dbraw/zinc/22/58/47/215225847.db2.gz HJDWOQIVDNUVQF-UHFFFAOYSA-N 0 3 329.444 2.833 50 0 EFAAHN Cn1ccnc1-c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000067842566 215227401 /nfs/dbraw/zinc/22/74/01/215227401.db2.gz KQFSKFNIWAHPLR-MRXNPFEDSA-N 0 3 334.427 2.564 50 0 EFAAHN CC(=O)Nc1ccc(-c2nc(CC3CCN(C)CC3)no2)c(C)c1 ZINC000067850604 215229366 /nfs/dbraw/zinc/22/93/66/215229366.db2.gz MIJNSTDMUQRELW-UHFFFAOYSA-N 0 3 328.416 2.888 50 0 EFAAHN CCn1c(=O)[nH]nc1C1CCN(Cc2ccc(OC)c(C)c2C)CC1 ZINC000067881707 215241037 /nfs/dbraw/zinc/24/10/37/215241037.db2.gz CCZJVYOCHMWTGD-UHFFFAOYSA-N 0 3 344.459 2.596 50 0 EFAAHN CC[C@H]1CCCCN1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067910038 215248578 /nfs/dbraw/zinc/24/85/78/215248578.db2.gz URGQBRWSZYJJTC-HNNXBMFYSA-N 0 3 330.476 2.881 50 0 EFAAHN COCc1cc(CN(C)Cc2cc3ccc(Cl)cc3[nH]c2=O)n[nH]1 ZINC000067934270 215252693 /nfs/dbraw/zinc/25/26/93/215252693.db2.gz CYFKGNMJINHQOG-UHFFFAOYSA-N 0 3 346.818 2.683 50 0 EFAAHN Cc1cc(CN2CCCC2)cc(C)c1Oc1cncc(C(N)=O)n1 ZINC000067975034 215265737 /nfs/dbraw/zinc/26/57/37/215265737.db2.gz SZLWEBWWDXBFOE-UHFFFAOYSA-N 0 3 326.400 2.580 50 0 EFAAHN CC(C)N1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO ZINC000104400424 219383610 /nfs/dbraw/zinc/38/36/10/219383610.db2.gz QZVYNVCVELYHPT-GOSISDBHSA-N 0 3 334.508 2.734 50 0 EFAAHN COc1ccc(CN2CCN(C3CCCC3)C[C@H]2CCO)c(F)c1 ZINC000104524448 219392805 /nfs/dbraw/zinc/39/28/05/219392805.db2.gz LRBPAQBGPXZEQC-QGZVFWFLSA-N 0 3 336.451 2.646 50 0 EFAAHN Cc1nc(NCCNC(=O)Nc2cccc(F)c2C)cc(N(C)C)n1 ZINC000038670716 213219257 /nfs/dbraw/zinc/21/92/57/213219257.db2.gz MQDTWSGWMHBLFI-UHFFFAOYSA-N 0 3 346.410 2.532 50 0 EFAAHN CCNc1cc(NCCNC(=O)c2cc(C)ccc2C)nc(C)n1 ZINC000036708035 213111058 /nfs/dbraw/zinc/11/10/58/213111058.db2.gz JOPMEEMXDVYOKU-UHFFFAOYSA-N 0 3 327.432 2.676 50 0 EFAAHN CSc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1 ZINC000072117795 216012303 /nfs/dbraw/zinc/01/23/03/216012303.db2.gz AZHRAERKVAAWEB-AWEZNQCLSA-N 0 3 342.530 2.809 50 0 EFAAHN CSCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072145406 216031722 /nfs/dbraw/zinc/03/17/22/216031722.db2.gz NETIHYCUKVDUQE-BHIYHBOVSA-N 0 3 330.497 2.747 50 0 EFAAHN CC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1 ZINC000072147083 216033473 /nfs/dbraw/zinc/03/34/73/216033473.db2.gz DNNPKMCWJBCJGR-UHFFFAOYSA-N 0 3 345.516 2.870 50 0 EFAAHN CC(C)c1cc(N2CCC(N3CCSCC3)CC2)n2nccc2n1 ZINC000072154099 216043075 /nfs/dbraw/zinc/04/30/75/216043075.db2.gz WUTHNHMMVSLLEK-UHFFFAOYSA-N 0 3 345.516 2.870 50 0 EFAAHN COc1cc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072171510 216062397 /nfs/dbraw/zinc/06/23/97/216062397.db2.gz NAGYKFUVFIDKRG-PWIZWCRZSA-N 0 3 336.439 2.552 50 0 EFAAHN Cc1cc(C)cc(OC[C@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270584 216092721 /nfs/dbraw/zinc/09/27/21/216092721.db2.gz RVHOPFXMQIKDGG-DLBZAZTESA-N 0 3 329.444 2.646 50 0 EFAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000176591 209466418 /nfs/dbraw/zinc/46/64/18/209466418.db2.gz QLPHPTMTNGKARV-UHFFFAOYSA-N 0 3 338.835 2.944 50 0 EFAAHN CSc1ccc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc1 ZINC000072407424 216197783 /nfs/dbraw/zinc/19/77/83/216197783.db2.gz GXBHNEXKNAHTEZ-HNNXBMFYSA-N 0 3 348.512 2.981 50 0 EFAAHN CCNC(=O)c1cccc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)c1 ZINC000072408311 216199798 /nfs/dbraw/zinc/19/97/98/216199798.db2.gz PWOHLKUJRUAZMF-ZWKOTPCHSA-N 0 3 348.512 2.575 50 0 EFAAHN C[C@@H]1CN(C2CCN(C(=O)CCc3ccsc3)CC2)C[C@H](C)O1 ZINC000072411619 216204286 /nfs/dbraw/zinc/20/42/86/216204286.db2.gz YYXHEPGALZTLOY-GASCZTMLSA-N 0 3 336.501 2.781 50 0 EFAAHN Cn1ncc2c1nc(C1CCCC1)nc2N[C@H]1CN2CCC1CC2 ZINC000072418908 216207480 /nfs/dbraw/zinc/20/74/80/216207480.db2.gz DWJXMKRUKGAMEE-HNNXBMFYSA-N 0 3 326.448 2.527 50 0 EFAAHN Cc1cc2nc(C(C)C)cc(NCC[C@@H](C)N3CCN(C)CC3)n2n1 ZINC000072431252 216223025 /nfs/dbraw/zinc/22/30/25/216223025.db2.gz YHQPEMOITRWBBI-MRXNPFEDSA-N 0 3 344.507 2.599 50 0 EFAAHN COCCCN(C(=O)C1(c2ccc(C)cc2)CC1)C1CCN(C)CC1 ZINC000072427175 216218172 /nfs/dbraw/zinc/21/81/72/216218172.db2.gz MXQJFQJAIITIMY-UHFFFAOYSA-N 0 3 344.499 2.986 50 0 EFAAHN CN(C)Cc1nnc([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1C ZINC000072453950 216241183 /nfs/dbraw/zinc/24/11/83/216241183.db2.gz KJJJNUYYVFQPJZ-DBEXCURXSA-N 0 3 339.487 2.770 50 0 EFAAHN COCCCN(C(=O)Cc1cc(C)ccc1C)C1CCN(C)CC1 ZINC000072463481 216245350 /nfs/dbraw/zinc/24/53/50/216245350.db2.gz QFCGWRDZINUUCH-UHFFFAOYSA-N 0 3 332.488 2.805 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)c1ccccc1C(F)(F)F)CCNC2 ZINC000072480554 216259770 /nfs/dbraw/zinc/25/97/70/216259770.db2.gz LPMNSAFCGMQELW-UHFFFAOYSA-N 0 3 349.356 2.985 50 0 EFAAHN Cc1nnc(NC(=O)N[C@H](CCn2ccnc2C)c2ccccc2)[nH]1 ZINC000023478416 212380340 /nfs/dbraw/zinc/38/03/40/212380340.db2.gz BKRZMAWHKYAEQE-OAHLLOKOSA-N 0 3 339.403 2.571 50 0 EFAAHN Cc1nc(NC(=O)N[C@H](CCn2ccnc2C)c2ccccc2)n[nH]1 ZINC000023478416 212380343 /nfs/dbraw/zinc/38/03/43/212380343.db2.gz BKRZMAWHKYAEQE-OAHLLOKOSA-N 0 3 339.403 2.571 50 0 EFAAHN Cc1nnc(NC(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)[nH]1 ZINC000023478415 212379729 /nfs/dbraw/zinc/37/97/29/212379729.db2.gz BKRZMAWHKYAEQE-HNNXBMFYSA-N 0 3 339.403 2.571 50 0 EFAAHN Cc1nc(NC(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)n[nH]1 ZINC000023478415 212379733 /nfs/dbraw/zinc/37/97/33/212379733.db2.gz BKRZMAWHKYAEQE-HNNXBMFYSA-N 0 3 339.403 2.571 50 0 EFAAHN Cn1cc(CN2CCC(Cn3cc(-c4ccsc4)nn3)CC2)cn1 ZINC000023379797 212373158 /nfs/dbraw/zinc/37/31/58/212373158.db2.gz YPIILOFDWPOHDR-UHFFFAOYSA-N 0 3 342.472 2.652 50 0 EFAAHN OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccsc1 ZINC000023373851 212371793 /nfs/dbraw/zinc/37/17/93/212371793.db2.gz KZSRMSRSQOXREH-IBGZPJMESA-N 0 3 330.497 2.859 50 0 EFAAHN COc1ccc(CN[C@H]2COc3ccccc3C2)c(OC)c1OC ZINC000023128627 212352524 /nfs/dbraw/zinc/35/25/24/212352524.db2.gz QMHDPZULXRRLOS-OAHLLOKOSA-N 0 3 329.396 2.806 50 0 EFAAHN CC(C)Cc1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)[nH]n1 ZINC000023129363 212352473 /nfs/dbraw/zinc/35/24/73/212352473.db2.gz XDDDLPYBTYBZTA-FQEVSTJZSA-N 0 3 348.535 2.810 50 0 EFAAHN Cc1oc(-c2cccs2)nc1CN1CCN(C(C)C)[C@@H](CCO)C1 ZINC000022916415 212335069 /nfs/dbraw/zinc/33/50/69/212335069.db2.gz QBBHDVZDZZJPPU-HNNXBMFYSA-N 0 3 349.500 2.989 50 0 EFAAHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000022462465 212299590 /nfs/dbraw/zinc/29/95/90/212299590.db2.gz WZPGYGWJUHCARQ-GOSISDBHSA-N 0 3 345.487 2.814 50 0 EFAAHN O=C(CCOc1ccccc1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000215278090 241116816 /nfs/dbraw/zinc/11/68/16/241116816.db2.gz YSNTXCAKKJLITO-IBGZPJMESA-N 0 3 346.471 2.559 50 0 EFAAHN O=C(C[C@H]1CNCCO1)NCCc1ccccc1Oc1ccccc1 ZINC000216141413 241167999 /nfs/dbraw/zinc/16/79/99/241167999.db2.gz BWFGUNMGAILXIY-SFHVURJKSA-N 0 3 340.423 2.516 50 0 EFAAHN Cc1cc(C)n2ncc(CN(C)C[C@H]3Cc4ccccc4CN3C)c2n1 ZINC000215455022 241126744 /nfs/dbraw/zinc/12/67/44/241126744.db2.gz UNWBQNPXQGYNEG-HXUWFJFHSA-N 0 3 349.482 2.835 50 0 EFAAHN COc1cccc(CN2CCCN(Cc3ccncc3)CC2)c1OC ZINC000215604295 241135250 /nfs/dbraw/zinc/13/52/50/241135250.db2.gz NZAOGQITXWQYTG-UHFFFAOYSA-N 0 3 341.455 2.807 50 0 EFAAHN Cc1noc(C)c1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000218955346 241353821 /nfs/dbraw/zinc/35/38/21/241353821.db2.gz ATKVONUAMZGEEX-UHFFFAOYSA-N 0 3 339.439 2.607 50 0 EFAAHN CC(C)NC(=O)c1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000236700670 242324829 /nfs/dbraw/zinc/32/48/29/242324829.db2.gz INLLAIUKSGKNDK-KRWDZBQOSA-N 0 3 325.412 2.853 50 0 EFAAHN COc1ccc(OC)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 ZINC000020996379 212196795 /nfs/dbraw/zinc/19/67/95/212196795.db2.gz YMORHGGMGCBRCW-SFHVURJKSA-N 0 3 348.487 2.515 50 0 EFAAHN Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000243932505 243035593 /nfs/dbraw/zinc/03/55/93/243035593.db2.gz BWENVWDJQHSPIH-ZDUSSCGKSA-N 0 3 346.397 2.591 50 0 EFAAHN O=C(NCc1nc2cc(F)ccc2[nH]1)C1(N2CCCC2)CCCC1 ZINC000244574996 243042664 /nfs/dbraw/zinc/04/26/64/243042664.db2.gz CUWBXYVTTPXOMQ-UHFFFAOYSA-N 0 3 330.407 2.727 50 0 EFAAHN O=C(CN1CCCCCCC1)NC[C@H]1CCCN(c2ccccn2)C1 ZINC000244811770 243085588 /nfs/dbraw/zinc/08/55/88/243085588.db2.gz SKVHYGOOMSMQSM-GOSISDBHSA-N 0 3 344.503 2.680 50 0 EFAAHN Cc1nc(CCN2CCc3nnc(-c4ccccc4)n3CC2)cs1 ZINC000244873251 243091703 /nfs/dbraw/zinc/09/17/03/243091703.db2.gz WMQGFRVOBRHPLY-UHFFFAOYSA-N 0 3 339.468 2.811 50 0 EFAAHN CCN(CC(=O)Nc1ccc(Cl)cn1)[C@H]1CCOC(C)(C)C1 ZINC000244723612 243070723 /nfs/dbraw/zinc/07/07/23/243070723.db2.gz MELBWSSTLQJURE-ZDUSSCGKSA-N 0 3 325.840 2.953 50 0 EFAAHN OCC[C@@H]1CN(Cc2ccncc2)CCN1CCCc1ccccc1 ZINC000020271513 212115301 /nfs/dbraw/zinc/11/53/01/212115301.db2.gz LLESEOSJQAJNMM-OAQYLSRUSA-N 0 3 339.483 2.583 50 0 EFAAHN O=C(Cc1c(O)nc2[nH]c3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000020102363 212100100 /nfs/dbraw/zinc/10/01/00/212100100.db2.gz RHHJEHSHTWKTOS-CQSZACIVSA-N 0 3 340.770 2.866 50 0 EFAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)cc1 ZINC000020102363 212100102 /nfs/dbraw/zinc/10/01/02/212100102.db2.gz RHHJEHSHTWKTOS-CQSZACIVSA-N 0 3 340.770 2.866 50 0 EFAAHN c1ccc(COc2ccc(CNCCN3CCOCC3)cc2)cc1 ZINC000019872120 212077896 /nfs/dbraw/zinc/07/78/96/212077896.db2.gz WIYUFQKIOHGBKG-UHFFFAOYSA-N 0 3 326.440 2.687 50 0 EFAAHN COc1ccc(OCC(=O)N2CCN([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000019841976 212074982 /nfs/dbraw/zinc/07/49/82/212074982.db2.gz SKUSXVFPLNSWDB-LPHOPBHVSA-N 0 3 346.471 2.797 50 0 EFAAHN CCOc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 ZINC000019840865 212074396 /nfs/dbraw/zinc/07/43/96/212074396.db2.gz CLJFVVIZCSBXGI-IBGZPJMESA-N 0 3 332.488 2.897 50 0 EFAAHN OCC[C@@H]1CN(C2CCSCC2)CCN1Cc1ccc(F)cc1 ZINC000019720636 212058256 /nfs/dbraw/zinc/05/82/56/212058256.db2.gz HTDXJHQMXHLLLF-GOSISDBHSA-N 0 3 338.492 2.590 50 0 EFAAHN COc1cccc(CN2C(=O)CC[C@H]2CCNCc2ccccn2)c1 ZINC000019535855 212040123 /nfs/dbraw/zinc/04/01/23/212040123.db2.gz LEUSKILITWEBSR-SFHVURJKSA-N 0 3 339.439 2.761 50 0 EFAAHN Cc1cccc(OC[C@H](O)CN2CCN(C3CCCCC3)CC2)c1 ZINC000019363230 212021406 /nfs/dbraw/zinc/02/14/06/212021406.db2.gz YFBXZTFBHRQDBA-LJQANCHMSA-N 0 3 332.488 2.685 50 0 EFAAHN COc1cccc2c1OC[C@@H](NCc1cnn(-c3ccccc3)c1)C2 ZINC000019225850 212007200 /nfs/dbraw/zinc/00/72/00/212007200.db2.gz IRAKVNUBHAJDDW-KRWDZBQOSA-N 0 3 335.407 2.974 50 0 EFAAHN CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccc(C)o1)C2 ZINC000019145371 212002110 /nfs/dbraw/zinc/00/21/10/212002110.db2.gz ODQNCNHJMBNQNU-CQSZACIVSA-N 0 3 344.459 2.543 50 0 EFAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCCCCC1 ZINC000079496741 217235414 /nfs/dbraw/zinc/23/54/14/217235414.db2.gz SZFMBFJAMWSFSP-UHFFFAOYSA-N 0 3 347.503 2.843 50 0 EFAAHN CCN1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000015065720 211795017 /nfs/dbraw/zinc/79/50/17/211795017.db2.gz YIFZOHZWXTUBPN-UHFFFAOYSA-N 0 3 332.444 2.794 50 0 EFAAHN O=C(NCCN1CCCC1)N1CCCC[C@H]1CCc1ccccn1 ZINC000426389257 247273700 /nfs/dbraw/zinc/27/37/00/247273700.db2.gz LPFCJLYHFVSOOI-SFHVURJKSA-N 0 3 330.476 2.674 50 0 EFAAHN O=C(CSCCN1CCCC1)NCc1ccnc2ccccc12 ZINC000426404421 247277968 /nfs/dbraw/zinc/27/79/68/247277968.db2.gz XQUOAUMYABQTRH-UHFFFAOYSA-N 0 3 329.469 2.680 50 0 EFAAHN O=C(c1ccc(-c2ncnc3ccsc32)cc1)N1CCCNCC1 ZINC000426432149 247279688 /nfs/dbraw/zinc/27/96/88/247279688.db2.gz YAGSHUYYYWZVJS-UHFFFAOYSA-N 0 3 338.436 2.794 50 0 EFAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCc2cc3ccccc3[nH]2)C1 ZINC000426571463 247292020 /nfs/dbraw/zinc/29/20/20/247292020.db2.gz JIDKYBFQUJLCDC-CQSZACIVSA-N 0 3 326.444 2.936 50 0 EFAAHN Cc1nn(CCNC(=O)c2cccc(-c3cnccc3N)c2)c(C)c1C ZINC000426373885 247271612 /nfs/dbraw/zinc/27/16/12/247271612.db2.gz XYDGHECPJYVOMU-UHFFFAOYSA-N 0 3 349.438 2.713 50 0 EFAAHN CCc1ocnc1C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012475686 211392318 /nfs/dbraw/zinc/39/23/18/211392318.db2.gz QJPPMCFFFZNVKH-MRXNPFEDSA-N 0 3 327.428 2.674 50 0 EFAAHN O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(CCCn2cccn2)C1 ZINC000012458318 211388975 /nfs/dbraw/zinc/38/89/75/211388975.db2.gz NAJLLUPPFVQDIC-MRXNPFEDSA-N 0 3 341.411 2.597 50 0 EFAAHN O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(CCCn2cccn2)C1 ZINC000012458320 211389032 /nfs/dbraw/zinc/38/90/32/211389032.db2.gz 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/nfs/dbraw/zinc/02/28/94/218022894.db2.gz VHCWBIBTIXUNFH-GOSISDBHSA-N 0 3 328.460 2.943 50 0 EFAAHN COc1ccc(CN2C(=O)O[C@@H]3CN(C4CCCC4)C[C@@H]32)cc1OC ZINC000011841001 211254705 /nfs/dbraw/zinc/25/47/05/211254705.db2.gz AZUFUPAZZAWIGG-MAUKXSAKSA-N 0 3 346.427 2.651 50 0 EFAAHN Cc1ccc([C@H](CNC(=O)c2cc(CC(C)C)nn2C)N(C)C)cc1 ZINC000091691335 218047539 /nfs/dbraw/zinc/04/75/39/218047539.db2.gz JSARIVYFNVJBBK-IBGZPJMESA-N 0 3 342.487 2.960 50 0 EFAAHN c1cn(Cc2nnc(C3CCN(c4ccncc4)CC3)n2C2CC2)cn1 ZINC000091693697 218048973 /nfs/dbraw/zinc/04/89/73/218048973.db2.gz SDZCTHDRNQDREF-UHFFFAOYSA-N 0 3 349.442 2.637 50 0 EFAAHN CC(C)c1noc(CC[NH2+]Cc2cc(=O)c3cccc(F)c3[n-]2)n1 ZINC000091637166 218036950 /nfs/dbraw/zinc/03/69/50/218036950.db2.gz RPBRMKCSQYWXBT-UHFFFAOYSA-N 0 3 330.363 2.506 50 0 EFAAHN COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(F)c3F)C[C@@H]2N)c1 ZINC000091656711 218040817 /nfs/dbraw/zinc/04/08/17/218040817.db2.gz GPZWTTBEWQGFNR-CVEARBPZSA-N 0 3 346.377 2.849 50 0 EFAAHN O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)NC1CC1 ZINC000091678086 218045657 /nfs/dbraw/zinc/04/56/57/218045657.db2.gz ZDLOUFVJGBLCMH-MRXNPFEDSA-N 0 3 342.487 2.656 50 0 EFAAHN COc1cccc(OCCN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 ZINC000091713581 218053694 /nfs/dbraw/zinc/05/36/94/218053694.db2.gz JESRXOVROVQECY-UZLBHIALSA-N 0 3 349.471 2.574 50 0 EFAAHN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CCCCCN1C ZINC000091746222 218058486 /nfs/dbraw/zinc/05/84/86/218058486.db2.gz KZDXHCNEVURUDG-GOSISDBHSA-N 0 3 326.444 2.910 50 0 EFAAHN CN(C(=O)c1csc2nc(-c3ccccc3)cn12)[C@@H]1CCN(C)C1 ZINC000011663369 211230342 /nfs/dbraw/zinc/23/03/42/211230342.db2.gz PDNBVNXLFBWCCE-CQSZACIVSA-N 0 3 340.452 2.839 50 0 EFAAHN Cc1c([C@@H](C)NC(=O)CN2CCCCCC2)cnn1-c1ccccn1 ZINC000011661151 211229779 /nfs/dbraw/zinc/22/97/79/211229779.db2.gz STUOJZNKWDWQGI-OAHLLOKOSA-N 0 3 341.459 2.629 50 0 EFAAHN Cc1[nH]c2c(cccc2F)c1CC(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2 ZINC000091914866 218088119 /nfs/dbraw/zinc/08/81/19/218088119.db2.gz 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/nfs/dbraw/zinc/15/96/89/211159689.db2.gz GJCGQQKXNCRQQP-UHFFFAOYSA-N 0 3 330.881 2.635 50 0 EFAAHN COc1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1Cn1cccn1 ZINC000095360404 218293227 /nfs/dbraw/zinc/29/32/27/218293227.db2.gz QOAWSSPRUJDHIQ-HXUWFJFHSA-N 0 3 341.455 2.943 50 0 EFAAHN CCCc1cc(CNC(=O)C2CCN(Cc3ccco3)CC2)on1 ZINC000095355974 218289609 /nfs/dbraw/zinc/28/96/09/218289609.db2.gz OPBRHJRWNJYTHG-UHFFFAOYSA-N 0 3 331.416 2.749 50 0 EFAAHN Cc1ccnc(NCCNC(=O)[C@H](c2ccccc2C)N(C)C)c1 ZINC000095357322 218290069 /nfs/dbraw/zinc/29/00/69/218290069.db2.gz YBAKETMGZJYIEO-SFHVURJKSA-N 0 3 326.444 2.529 50 0 EFAAHN CSc1nc(N)cc(N2CCC(c3nccn3C(C)C)CC2)n1 ZINC000095368672 218301271 /nfs/dbraw/zinc/30/12/71/218301271.db2.gz KTAXYEIQABUBMM-UHFFFAOYSA-N 0 3 332.477 2.942 50 0 EFAAHN c1ccc(CN2C[C@H]3CC[C@H](CN3Cc3cccc4nonc43)C2)nc1 ZINC000095371108 218303655 /nfs/dbraw/zinc/30/36/55/218303655.db2.gz PHOXWYKLNNDCHY-MAUKXSAKSA-N 0 3 349.438 2.714 50 0 EFAAHN COc1cccc([C@H]2CN(c3cnccn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095376945 218310332 /nfs/dbraw/zinc/31/03/32/218310332.db2.gz KCZZPYODNGWQFM-MISYRCLQSA-N 0 3 336.439 2.552 50 0 EFAAHN O=C(c1ccc[nH]1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095391032 218323083 /nfs/dbraw/zinc/32/30/83/218323083.db2.gz BLBZZCBSRUNREQ-QXAKKESOSA-N 0 3 339.414 2.856 50 0 EFAAHN COc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC000005071495 210383317 /nfs/dbraw/zinc/38/33/17/210383317.db2.gz MGOUQYLANPAFAP-INIZCTEOSA-N 0 3 332.444 2.538 50 0 EFAAHN CCc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000005045696 210373097 /nfs/dbraw/zinc/37/30/97/210373097.db2.gz TWUMXQVODHUCSZ-LJQANCHMSA-N 0 3 330.472 2.756 50 0 EFAAHN Cn1nnnc1SCCCNCc1ccc(-c2ccccc2F)o1 ZINC000004993849 210352226 /nfs/dbraw/zinc/35/22/26/210352226.db2.gz IGUZRILRCCJUGZ-UHFFFAOYSA-N 0 3 347.419 2.881 50 0 EFAAHN Cc1ccccc1NC(=O)COc1ccccc1CNC(C)(C)CO ZINC000004867365 210306820 /nfs/dbraw/zinc/30/68/20/210306820.db2.gz CLUVDKBXLNYDMU-UHFFFAOYSA-N 0 3 342.439 2.873 50 0 EFAAHN COCCN1CCC(C(=O)N2CCc3cc(SC)ccc3C2)CC1 ZINC000097393916 219021926 /nfs/dbraw/zinc/02/19/26/219021926.db2.gz HNFZAXJQNROIBL-UHFFFAOYSA-N 0 3 348.512 2.652 50 0 EFAAHN CN1CCN([C@@H]2CCN(Cc3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000097474970 219028007 /nfs/dbraw/zinc/02/80/07/219028007.db2.gz NBHJFVPVESZZTI-QGZVFWFLSA-N 0 3 344.890 2.710 50 0 EFAAHN CC(C)Cc1ccc(CN2CCC[C@H](c3nnc(CO)n3C)C2)s1 ZINC000097492558 219029862 /nfs/dbraw/zinc/02/98/62/219029862.db2.gz LFAWBSDTDWXLHZ-AWEZNQCLSA-N 0 3 348.516 2.947 50 0 EFAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)c2ccco2)c1=N ZINC000004793536 210278649 /nfs/dbraw/zinc/27/86/49/210278649.db2.gz OGNHKPNBIHINDP-KRWDZBQOSA-N 0 3 342.443 2.591 50 0 EFAAHN COc1ccc(CN(C)Cc2nccn2C)cc1CN1CCCC1 ZINC000097547538 219034795 /nfs/dbraw/zinc/03/47/95/219034795.db2.gz YQPORFODXLUNIM-UHFFFAOYSA-N 0 3 328.460 2.657 50 0 EFAAHN CN1CCN([C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000097601021 219038879 /nfs/dbraw/zinc/03/88/79/219038879.db2.gz PDQNVGSNGUSHDI-INIZCTEOSA-N 0 3 327.394 2.527 50 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Cc1ccnn1CCN1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077377262 472515035 /nfs/dbraw/zinc/51/50/35/472515035.db2.gz MYERKZMUABYWOJ-HXUWFJFHSA-N 0 3 344.503 2.839 50 0 EFAAHN COCCCN1C[C@@]2(CCCN(Cc3cccc(O)c3)C2)CCC1=O ZINC000077392679 472519151 /nfs/dbraw/zinc/51/91/51/472519151.db2.gz FAGPWELVATUDRP-FQEVSTJZSA-N 0 3 346.471 2.633 50 0 EFAAHN Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)on1 ZINC000077406981 472522764 /nfs/dbraw/zinc/52/27/64/472522764.db2.gz LEWRNCLZADYQMP-UHFFFAOYSA-N 0 3 329.444 2.710 50 0 EFAAHN COc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928404 472524888 /nfs/dbraw/zinc/52/48/88/472524888.db2.gz CIMXMCORFWUGEO-UHFFFAOYSA-N 0 3 325.412 2.737 50 0 EFAAHN O=C(NCCc1ccccc1)NCC1CCN(c2ccncc2)CC1 ZINC000070928892 472525163 /nfs/dbraw/zinc/52/51/63/472525163.db2.gz HSDDLMYXTSSQCN-UHFFFAOYSA-N 0 3 338.455 2.840 50 0 EFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cnn(C)c2)cc1 ZINC000077505666 472540491 /nfs/dbraw/zinc/54/04/91/472540491.db2.gz LKDWORPCEUSKBB-GOSISDBHSA-N 0 3 326.444 2.849 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ZINC000534669101 478168331 /nfs/dbraw/zinc/16/83/31/478168331.db2.gz HPIASLNCGVYZQC-SFHVURJKSA-N 0 3 347.503 2.621 50 0 EFAAHN CCc1nccn1C[C@@H](C)NCc1cnn(-c2ccccc2OC)c1 ZINC000584887600 479271785 /nfs/dbraw/zinc/27/17/85/479271785.db2.gz IKMANDNXPFFJPH-OAHLLOKOSA-N 0 3 339.443 2.818 50 0 EFAAHN COC[C@@H]1CCCN1C(=O)NCC1CCN(Cc2ccc(C)o2)CC1 ZINC000584889917 479272863 /nfs/dbraw/zinc/27/28/63/479272863.db2.gz QFJVWEZVDFFUFW-KRWDZBQOSA-N 0 3 349.475 2.620 50 0 EFAAHN O=C(N[C@@H]1CCCN(C2CCCC2)C1)N1CC(c2ccccn2)C1 ZINC000584888333 479273112 /nfs/dbraw/zinc/27/31/12/479273112.db2.gz UZNQZEOFPGVEBZ-MRXNPFEDSA-N 0 3 328.460 2.597 50 0 EFAAHN Cc1cc(CNC(=O)N2CCN(CC3CCCC3)CC2)cnc1C ZINC000584900244 479276740 /nfs/dbraw/zinc/27/67/40/479276740.db2.gz JZNJDQFKTRDXLV-UHFFFAOYSA-N 0 3 330.476 2.716 50 0 EFAAHN O=C(NCCSc1ccccn1)N1CCN(C2CCCCC2)CC1 ZINC000584900438 479276920 /nfs/dbraw/zinc/27/69/20/479276920.db2.gz BOLMNDDSYYHRBV-UHFFFAOYSA-N 0 3 348.516 2.834 50 0 EFAAHN CCOc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)ccc1O ZINC000019229328 520699466 /nfs/dbraw/zinc/69/94/66/520699466.db2.gz FIJDKEZRUWTUPP-SFHVURJKSA-N 0 3 348.487 2.602 50 0 EFAAHN CCN(CCN(C)C)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000426370871 535728138 /nfs/dbraw/zinc/72/81/38/535728138.db2.gz XYWGMLXEZYVGBK-SFHVURJKSA-N 0 3 326.444 2.764 50 0 EFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc(N)c2Cl)cc1 ZINC000216521197 536020129 /nfs/dbraw/zinc/02/01/29/536020129.db2.gz LIBZGWJRMFYMCH-ZDUSSCGKSA-N 0 3 347.850 2.684 50 0 EFAAHN O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(CN2CCCC2)o1 ZINC000670440504 547489374 /nfs/dbraw/zinc/48/93/74/547489374.db2.gz HNPXZZMEGUKKIC-UHFFFAOYSA-N 0 3 342.443 2.797 50 0 EFAAHN Fc1cccc(-n2cc(CN3CCN(c4ccncc4)CC3)cn2)c1 ZINC000670443518 547490651 /nfs/dbraw/zinc/49/06/51/547490651.db2.gz AKLSFWFVTMWNMY-UHFFFAOYSA-N 0 3 337.402 2.729 50 0 EFAAHN Cc1nc(C(F)(F)F)ncc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000670447513 547491656 /nfs/dbraw/zinc/49/16/56/547491656.db2.gz RSMHAAHTZOBUAD-NSHDSACASA-N 0 3 325.338 2.907 50 0 EFAAHN COCCc1nc(C2CCN(C)CC2)n(Cc2ccccc2C)n1 ZINC000670467163 547494972 /nfs/dbraw/zinc/49/49/72/547494972.db2.gz GDSKKGJJKTVSCU-UHFFFAOYSA-N 0 3 328.460 2.633 50 0 EFAAHN CC[C@@H](C)CNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299804038 568419835 /nfs/dbraw/zinc/41/98/35/568419835.db2.gz UHHHJWVMGQLORV-QGZVFWFLSA-N 0 3 332.488 2.814 50 0 EFAAHN CCC(CC)NC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299804025 577414656 /nfs/dbraw/zinc/41/46/56/577414656.db2.gz RVATXKBBBAWEEN-UHFFFAOYSA-N 0 3 332.488 2.956 50 0 EFAAHN CNCc1nnc([N-]C[C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC001772708562 1249296009 /nfs/dbraw/zinc/29/60/09/1249296009.db2.gz DLGBXZUQXWSNMT-KRWDZBQOSA-N 0 3 343.475 2.983 50 0 EFAAHN CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000821429352 1264952430 /nfs/dbraw/zinc/95/24/30/1264952430.db2.gz ZCLNNNLGWJXGNF-GOSISDBHSA-N 0 3 331.460 2.772 50 0 EFAAHN CCc1nccn1CCC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 ZINC000823557580 1265389731 /nfs/dbraw/zinc/38/97/31/1265389731.db2.gz 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/nfs/dbraw/zinc/99/20/93/1284992093.db2.gz CMIRUGMWHLKKFG-HNNXBMFYSA-N 0 3 330.881 2.611 50 0 EFAAHN CCN(C[C@H]1CCN(CC)C1)S(=O)(=O)c1cc(C)sc1C ZINC000952990817 1284998191 /nfs/dbraw/zinc/99/81/91/1284998191.db2.gz UBLWTSCQFWJNLG-AWEZNQCLSA-N 0 3 330.519 2.717 50 0 EFAAHN CC(C)N1CCC[C@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000885939168 1296014231 /nfs/dbraw/zinc/01/42/31/1296014231.db2.gz UHXQEDXQRYIGIA-HNNXBMFYSA-N 0 3 330.881 2.632 50 0 EFAAHN CCCN(Cc1ccccc1F)C(=O)CC[C@@H](C)N1CCN(C)CC1 ZINC001506405266 1405752565 /nfs/dbraw/zinc/75/25/65/1405752565.db2.gz ADPFZADURSAEFT-QGZVFWFLSA-N 0 3 349.494 2.980 50 0 EFAAHN COCCN1CC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001506420551 1405761410 /nfs/dbraw/zinc/76/14/10/1405761410.db2.gz ISFDITLCIKWEPB-CYBMUJFWSA-N 0 3 349.431 2.856 50 0 EFAAHN CC(C)C[C@@H](NC1CCN(Cc2ccco2)CC1)c1ncnn1C ZINC001506424630 1405762778 /nfs/dbraw/zinc/76/27/78/1405762778.db2.gz KWKVWIGPIRHRSG-QGZVFWFLSA-N 0 3 331.464 2.750 50 0 EFAAHN CC(C)C[C@H](NC1CCN(Cc2ccco2)CC1)c1ncnn1C ZINC001506424627 1405763733 /nfs/dbraw/zinc/76/37/33/1405763733.db2.gz KWKVWIGPIRHRSG-KRWDZBQOSA-N 0 3 331.464 2.750 50 0 EFAAHN CSc1nc(N)cc(N2CCCN(Cc3cccs3)CC2)n1 ZINC001506430927 1405767062 /nfs/dbraw/zinc/76/70/62/1405767062.db2.gz ZMHSQHVRLPSUCN-UHFFFAOYSA-N 0 3 335.502 2.555 50 0 EFAAHN O=C(C1CCC1)N1CCCN([C@H]2CCN(c3ccccc3)C2)CC1 ZINC001506431212 1405767163 /nfs/dbraw/zinc/76/71/63/1405767163.db2.gz DWWOVKUTLVDGOF-IBGZPJMESA-N 0 3 327.472 2.600 50 0 EFAAHN CCNC(=O)c1ccc(NC[C@H]2CCCN(Cc3ccco3)C2)nc1 ZINC001704300943 1417901076 /nfs/dbraw/zinc/90/10/76/1417901076.db2.gz BZLMJIXSQPPVGQ-OAHLLOKOSA-N 0 3 342.443 2.748 50 0 EFAAHN Cc1cc(N2C[C@@H]3COC[C@H](C2)N(C)C3)nc2ccc(Cl)cc12 ZINC001704304380 1417902255 /nfs/dbraw/zinc/90/22/55/1417902255.db2.gz DRDJJZVUYTWGOB-HIFRSBDPSA-N 0 3 331.847 2.963 50 0 EFAAHN O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC001704312525 1417904969 /nfs/dbraw/zinc/90/49/69/1417904969.db2.gz 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/nfs/dbraw/zinc/38/99/38/716389938.db2.gz LZWJJRXQPMAPJL-UHFFFAOYSA-N 0 3 341.411 2.585 50 0 EFAAHN O=C(CCc1ccccc1F)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000989648532 1106515764 /nfs/dbraw/zinc/51/57/64/1106515764.db2.gz PSQVYFBRHTXFJQ-SFHVURJKSA-N 0 3 348.462 2.862 50 0 EFAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1F)N(C)C ZINC000091973987 282150138 /nfs/dbraw/zinc/15/01/38/282150138.db2.gz XIITXYYSJKSNSK-LJQANCHMSA-N 0 3 343.446 2.806 50 0 EFAAHN O=C1N(CC2CC2)CCC[C@]1(O)CNCc1cc2ccccc2s1 ZINC000055386249 214315942 /nfs/dbraw/zinc/31/59/42/214315942.db2.gz GQHPOBVVMWEFAG-IBGZPJMESA-N 0 3 344.480 2.754 50 0 EFAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(C2CCC2)CC1 ZINC000011713716 201812023 /nfs/dbraw/zinc/81/20/23/201812023.db2.gz JLRJZWHSYPKMPT-UHFFFAOYSA-N 0 3 344.455 2.983 50 0 EFAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 ZINC000019720580 202016843 /nfs/dbraw/zinc/01/68/43/202016843.db2.gz ZYJWUGQALZFVEX-GOSISDBHSA-N 0 3 338.407 2.550 50 0 EFAAHN CCCc1cc(=O)[n-]c(-c2ccc(CN(C)[C@H]3CC[N@H+](C)C3)cc2)n1 ZINC000019720848 202017172 /nfs/dbraw/zinc/01/71/72/202017172.db2.gz DAAYISBRFQWXRB-SFHVURJKSA-N 0 3 340.471 2.525 50 0 EFAAHN CCCc1cc(=O)[n-]c(-c2ccc(CN(C)[C@H]3CC[N@@H+](C)C3)cc2)n1 ZINC000019720848 202017176 /nfs/dbraw/zinc/01/71/76/202017176.db2.gz DAAYISBRFQWXRB-SFHVURJKSA-N 0 3 340.471 2.525 50 0 EFAAHN COc1ccc(F)c(CN2CCC[C@H](N3CCC(CO)CC3)C2)c1 ZINC000019789454 202021183 /nfs/dbraw/zinc/02/11/83/202021183.db2.gz ORGROUCCNGGJFQ-KRWDZBQOSA-N 0 3 336.451 2.503 50 0 EFAAHN CCN1CCN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000019877272 202023172 /nfs/dbraw/zinc/02/31/72/202023172.db2.gz OVZNJHNSUCNHID-UHFFFAOYSA-N 0 3 335.879 2.582 50 0 EFAAHN c1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 ZINC000020201877 202034854 /nfs/dbraw/zinc/03/48/54/202034854.db2.gz PBTVRTHJQSXHNP-UHFFFAOYSA-N 0 3 344.484 2.750 50 0 EFAAHN Cc1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1C ZINC000020103330 202031348 /nfs/dbraw/zinc/03/13/48/202031348.db2.gz LYXAJMSYCJWQEL-MRXNPFEDSA-N 0 3 334.379 2.829 50 0 EFAAHN CC[NH+](CC)CCCN[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000020432490 202041710 /nfs/dbraw/zinc/04/17/10/202041710.db2.gz GJQSWTXXLJYDIR-HNNXBMFYSA-N 0 3 340.851 2.688 50 0 EFAAHN CCn1nc(C)c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1C ZINC000020538149 202047986 /nfs/dbraw/zinc/04/79/86/202047986.db2.gz PKDNAMIDJPWLIP-IBGZPJMESA-N 0 3 348.535 2.721 50 0 EFAAHN CC(C)=CCN1CCN(Cc2cc(C)c(O)c(C)c2)C[C@@H]1CCO ZINC000020782961 202055467 /nfs/dbraw/zinc/05/54/67/202055467.db2.gz NIVGVCYETHOTDA-IBGZPJMESA-N 0 3 332.488 2.844 50 0 EFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Nc2ccccc2)CC1 ZINC000022935377 202095592 /nfs/dbraw/zinc/09/55/92/202095592.db2.gz VDDHNQBHPSFDGG-SFHVURJKSA-N 0 3 330.476 2.711 50 0 EFAAHN CC(C)(C)c1cc(=O)[n-]c(-c2ccc(C[N@@H+]3CCCOCC3)cc2)n1 ZINC000023214641 202100655 /nfs/dbraw/zinc/10/06/55/202100655.db2.gz MDCOEHLELJQKFB-UHFFFAOYSA-N 0 3 341.455 2.957 50 0 EFAAHN CC(C)(C)c1cc(=O)[n-]c(-c2ccc(C[N@H+]3CCCOCC3)cc2)n1 ZINC000023214641 202100658 /nfs/dbraw/zinc/10/06/58/202100658.db2.gz MDCOEHLELJQKFB-UHFFFAOYSA-N 0 3 341.455 2.957 50 0 EFAAHN CSc1cccc(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)c1 ZINC000023367480 202103178 /nfs/dbraw/zinc/10/31/78/202103178.db2.gz HVOIWCINHOSARL-CQSZACIVSA-N 0 3 346.500 2.760 50 0 EFAAHN Cn1nccc1C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000071853506 202355462 /nfs/dbraw/zinc/35/54/62/202355462.db2.gz KHXJYFJSOFCHEM-MSOLQXFVSA-N 0 3 338.455 2.689 50 0 EFAAHN COc1nc2ccccc2cc1CN1CC[C@]2(C1)CCCN(C)C2=O ZINC000072431520 216223946 /nfs/dbraw/zinc/22/39/46/216223946.db2.gz VDSMEZCBRBHWBZ-FQEVSTJZSA-N 0 3 339.439 2.688 50 0 EFAAHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072478551 216257583 /nfs/dbraw/zinc/25/75/83/216257583.db2.gz QCVMSQQRVVKMEJ-MRXNPFEDSA-N 0 3 332.488 2.994 50 0 EFAAHN C[C@@H]1CCCC[C@H]1OCCN1CCC(c2ccnn2CCO)CC1 ZINC000058298977 201141427 /nfs/dbraw/zinc/14/14/27/201141427.db2.gz HKJPHUTUMOTLJF-VQIMIIECSA-N 0 3 335.492 2.650 50 0 EFAAHN C[C@H]1CCCC[C@@H]1OCCN1CCC(c2ccnn2CCO)CC1 ZINC000058298976 201141873 /nfs/dbraw/zinc/14/18/73/201141873.db2.gz HKJPHUTUMOTLJF-LPHOPBHVSA-N 0 3 335.492 2.650 50 0 EFAAHN Fc1ccc(-c2nnc(CN3CCC(c4ccn[nH]4)CC3)o2)cc1 ZINC000058265351 201142269 /nfs/dbraw/zinc/14/22/69/201142269.db2.gz LAMNRPUHDOUHDL-UHFFFAOYSA-N 0 3 327.363 2.978 50 0 EFAAHN COc1c(CNC[C@H]2COc3ccccc3C2)c(C(C)C)nn1C ZINC000058421662 201143150 /nfs/dbraw/zinc/14/31/50/201143150.db2.gz RLYFBLGCKMCVKD-AWEZNQCLSA-N 0 3 329.444 2.893 50 0 EFAAHN COc1c(CNCC2(c3ccc(F)cc3)CCOCC2)c(C)nn1C ZINC000058407320 201143558 /nfs/dbraw/zinc/14/35/58/201143558.db2.gz IPOGVKZUYNAESS-UHFFFAOYSA-N 0 3 347.434 2.714 50 0 EFAAHN c1ccc(NC[C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000065477951 201154764 /nfs/dbraw/zinc/15/47/64/201154764.db2.gz QQRHHBKTVOULJJ-MRXNPFEDSA-N 0 3 325.412 2.787 50 0 EFAAHN Cc1nn(C)c(N(C)C)c1CNC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065552454 201155518 /nfs/dbraw/zinc/15/55/18/201155518.db2.gz RZIBKPHTYLGPHD-OAHLLOKOSA-N 0 3 345.466 2.550 50 0 EFAAHN Cc1cccc(NC[C@@H]2CCN(CC(=O)N3CCCCCC3)C2)n1 ZINC000097200853 201382429 /nfs/dbraw/zinc/38/24/29/201382429.db2.gz WEKSRHUGIRJBSV-KRWDZBQOSA-N 0 3 330.476 2.526 50 0 EFAAHN Cc1cccc(NC[C@H]2CCN(CC(=O)NCc3cccs3)C2)n1 ZINC000097200842 201383393 /nfs/dbraw/zinc/38/33/93/201383393.db2.gz KXPGNRRDQBXGJD-OAHLLOKOSA-N 0 3 344.484 2.502 50 0 EFAAHN Cn1cc(C2CCN(CCC(=O)N3CCc4ccccc43)CC2)cn1 ZINC000097200451 201383593 /nfs/dbraw/zinc/38/35/93/201383593.db2.gz AMXKVDDPKAJOKB-UHFFFAOYSA-N 0 3 338.455 2.579 50 0 EFAAHN COc1ccc(CN[C@@H]2COc3ccccc3C2)c(OC)c1OC ZINC000023128626 212352837 /nfs/dbraw/zinc/35/28/37/212352837.db2.gz QMHDPZULXRRLOS-HNNXBMFYSA-N 0 3 329.396 2.806 50 0 EFAAHN COCCN1CCC(CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000023014306 212341474 /nfs/dbraw/zinc/34/14/74/212341474.db2.gz BOFQVLFDPOAXGB-UHFFFAOYSA-N 0 3 340.467 2.857 50 0 EFAAHN COc1ccc(C)cc1NC(=O)CCN1CC(N2CCCC[C@@H]2C)C1 ZINC000252499255 240306995 /nfs/dbraw/zinc/30/69/95/240306995.db2.gz RXXJXHAAEHBIMV-INIZCTEOSA-N 0 3 345.487 2.891 50 0 EFAAHN Cc1ccccc1-c1ncc(CN2CCC[C@](O)(CO)CC2)s1 ZINC000215066949 241105804 /nfs/dbraw/zinc/10/58/04/241105804.db2.gz CUZLVTQBTJSJMT-GOSISDBHSA-N 0 3 332.469 2.828 50 0 EFAAHN O=C(C[C@@H]1CNCCO1)N1CCC(CCCc2ccccc2)CC1 ZINC000215241961 241114985 /nfs/dbraw/zinc/11/49/85/241114985.db2.gz ARSCDARBASSXOZ-LJQANCHMSA-N 0 3 330.472 2.626 50 0 EFAAHN CCN(Cc1cc2c(cc1OC)OCCCO2)[C@@H]1CCCC[C@H]1O ZINC000215681437 241140307 /nfs/dbraw/zinc/14/03/07/241140307.db2.gz DQOONFGVEGBENW-HZPDHXFCSA-N 0 3 335.444 2.982 50 0 EFAAHN Cc1[nH]c2c(cccc2CN2CCC[C@H]2C(=O)N2CCOCC2)c1C ZINC000216205058 241174977 /nfs/dbraw/zinc/17/49/77/241174977.db2.gz HTKQNRQRPKMNEO-SFHVURJKSA-N 0 3 341.455 2.608 50 0 EFAAHN CO[C@@H]1CCN(Cc2ccc(OCC(=O)N3CCC(C)CC3)cc2)C1 ZINC000216325524 241184252 /nfs/dbraw/zinc/18/42/52/241184252.db2.gz BBDCRXFUZSAHST-LJQANCHMSA-N 0 3 346.471 2.545 50 0 EFAAHN Cn1nc(CN2CCN(c3ccncc3)CC2)c2c1cccc2Cl ZINC000216386017 241189638 /nfs/dbraw/zinc/18/96/38/241189638.db2.gz MKFIWZFRZBKNSK-UHFFFAOYSA-N 0 3 341.846 2.944 50 0 EFAAHN CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000215664544 241135881 /nfs/dbraw/zinc/13/58/81/241135881.db2.gz PQNYPGYGRCPRRH-IBGZPJMESA-N 0 3 349.438 2.642 50 0 EFAAHN O=C(c1ccc(F)cc1Cl)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000217665238 241267828 /nfs/dbraw/zinc/26/78/28/241267828.db2.gz NNBLBDKIWKJPBU-AWEZNQCLSA-N 0 3 340.826 2.806 50 0 EFAAHN CC[C@H](C)[C@H](N)C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000218981896 241357345 /nfs/dbraw/zinc/35/73/45/241357345.db2.gz CMWRRLAWRINTDP-XPTSAGLGSA-N 0 3 342.365 2.582 50 0 EFAAHN O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCN2CCC[C@@H]2C1 ZINC000244719075 243065268 /nfs/dbraw/zinc/06/52/68/243065268.db2.gz LWKKRPYQDANVNY-LLVKDONJSA-N 0 3 338.333 2.502 50 0 EFAAHN C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1nnc(C2CC2)s1 ZINC000244763897 243076473 /nfs/dbraw/zinc/07/64/73/243076473.db2.gz OXHRQLVEHDIPJL-NSHDSACASA-N 0 3 331.445 2.832 50 0 EFAAHN c1ccc(C2=NO[C@H](CN3CCC(N4CCSCC4)CC3)C2)cc1 ZINC000244816767 243085427 /nfs/dbraw/zinc/08/54/27/243085427.db2.gz SNZRYODWOIYLSU-SFHVURJKSA-N 0 3 345.512 2.693 50 0 EFAAHN c1ccc(C2=NO[C@@H](CN3CCC(N4CCSCC4)CC3)C2)cc1 ZINC000244816766 243085620 /nfs/dbraw/zinc/08/56/20/243085620.db2.gz SNZRYODWOIYLSU-GOSISDBHSA-N 0 3 345.512 2.693 50 0 EFAAHN CC(=O)N(C)c1ccc(NC(=O)CN2C[C@@H]3CC(C)=CC[C@@H]3C2)cc1 ZINC000244817032 243086654 /nfs/dbraw/zinc/08/66/54/243086654.db2.gz STGBZJNVHPUYIB-SJORKVTESA-N 0 3 341.455 2.896 50 0 EFAAHN Cc1nccn1CC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000244874604 243096097 /nfs/dbraw/zinc/09/60/97/243096097.db2.gz XEBHXKLKHKKNMU-QGZVFWFLSA-N 0 3 327.428 2.744 50 0 EFAAHN COc1ccc([C@H](N)CC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1OC ZINC000071415653 203095013 /nfs/dbraw/zinc/09/50/13/203095013.db2.gz OAMZBWMQTNUGTR-OWCLPIDISA-N 0 3 330.428 2.518 50 0 EFAAHN CCc1oc(C(=O)NC[C@@H]2CCCN(C)C2)cc1CN1CCCC1 ZINC000071278656 203089166 /nfs/dbraw/zinc/08/91/66/203089166.db2.gz NVDRMPXSRKDHER-HNNXBMFYSA-N 0 3 333.476 2.509 50 0 EFAAHN COc1ccc2cc(C(=O)[C@@H]3CCCN(CCC(N)=O)C3)ccc2c1 ZINC000071404084 203093191 /nfs/dbraw/zinc/09/31/91/203093191.db2.gz YUIQEDKWETWIMT-QGZVFWFLSA-N 0 3 340.423 2.619 50 0 EFAAHN CCN(C(=O)CCN1CCC(N2CCCC2=O)CC1)c1ccccc1 ZINC000071614586 203100777 /nfs/dbraw/zinc/10/07/77/203100777.db2.gz VQYWMMVZKZMNEK-UHFFFAOYSA-N 0 3 343.471 2.516 50 0 EFAAHN O=C([C@H]1CCCN(Cc2c[nH]c3cc(=O)ccc-3c2)C1)N1CCCC1 ZINC000071614626 203101218 /nfs/dbraw/zinc/10/12/18/203101218.db2.gz BUDCPFWICWETCB-KRWDZBQOSA-N 0 3 339.439 2.775 50 0 EFAAHN COc1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)ccc1[O-] ZINC000071751611 203108483 /nfs/dbraw/zinc/10/84/83/203108483.db2.gz DKIKXZNFHBLTJJ-KRWDZBQOSA-N 0 3 346.471 2.983 50 0 EFAAHN COc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)ccc1[O-] ZINC000071751611 203108487 /nfs/dbraw/zinc/10/84/87/203108487.db2.gz DKIKXZNFHBLTJJ-KRWDZBQOSA-N 0 3 346.471 2.983 50 0 EFAAHN COc1ccc([C@@H](N)CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1OC ZINC000071761535 203108923 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/nfs/dbraw/zinc/11/69/11/274116911.db2.gz MVYGUEAOURYHNV-DLBZAZTESA-N 0 3 337.427 2.501 50 0 EFAAHN CC(C)[C@](C)(N)C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067856805 275718214 /nfs/dbraw/zinc/71/82/14/275718214.db2.gz PTCDKURRKVCIFF-SFHVURJKSA-N 0 3 346.862 2.988 50 0 EFAAHN COc1ccccc1NC(=O)NC[C@@H]1CCN(Cc2cccnc2)C1 ZINC000067982274 278057507 /nfs/dbraw/zinc/05/75/07/278057507.db2.gz NUMCUZMFFKYEGV-INIZCTEOSA-N 0 3 340.427 2.734 50 0 EFAAHN CC(C)c1nc2oc3c(ncnc3N3CCNCC3)c2c2c1CCC2 ZINC000002200470 278078456 /nfs/dbraw/zinc/07/84/56/278078456.db2.gz WNCZMEQBYLXDHB-UHFFFAOYSA-N 0 3 337.427 2.793 50 0 EFAAHN Cc1cc(N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)nc(N)n1 ZINC000092066707 278715275 /nfs/dbraw/zinc/71/52/75/278715275.db2.gz SKSDGCBNRPDISR-LJQANCHMSA-N 0 3 343.475 2.519 50 0 EFAAHN COc1ccc(-c2ccccc2N2CCNCC2)c(OC)c1OC ZINC000067588982 295047421 /nfs/dbraw/zinc/04/74/21/295047421.db2.gz IMONRXHJDMPCFD-UHFFFAOYSA-N 0 3 328.412 2.789 50 0 EFAAHN Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762377 295360164 /nfs/dbraw/zinc/36/01/64/295360164.db2.gz WETNHZVOLPIATI-YJBOKZPZSA-N 0 3 339.487 2.699 50 0 biogenic EFAAHN O[C@@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685429 323210720 /nfs/dbraw/zinc/21/07/20/323210720.db2.gz UZEMNULQSDGRJD-KBPBESRZSA-N 0 3 349.814 2.509 50 0 EFAAHN CCN1C[C@H](Nc2nc(-c3ccccc3)nc3c2CCC3)[C@@H](OC)C1 ZINC000534656879 468271397 /nfs/dbraw/zinc/27/13/97/468271397.db2.gz MKSOHXLHLUEAAP-ROUUACIJSA-N 0 3 338.455 2.763 50 0 EFAAHN Cc1ccc([C@@H](CNC(=O)N2CCOCC2)N2CCC(C)CC2)cc1 ZINC000040615805 472038384 /nfs/dbraw/zinc/03/83/84/472038384.db2.gz DEOUWYOJJWZBOK-LJQANCHMSA-N 0 3 345.487 2.810 50 0 EFAAHN CSCCN1CCC(NC(=O)[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095502815 473214826 /nfs/dbraw/zinc/21/48/26/473214826.db2.gz XYVUHFSLFBSKJC-MRXNPFEDSA-N 0 3 348.512 2.571 50 0 EFAAHN CSCCN1CCC(NC(=O)[C@H]2CCOc3ccccc3C2)CC1 ZINC000095502816 473215038 /nfs/dbraw/zinc/21/50/38/473215038.db2.gz XYVUHFSLFBSKJC-INIZCTEOSA-N 0 3 348.512 2.571 50 0 EFAAHN C[C@@H](NC1CCN(c2ncnc3ccsc32)CC1)c1ccncn1 ZINC000095505881 473215417 /nfs/dbraw/zinc/21/54/17/473215417.db2.gz GQZVLMRKIHDFIV-GFCCVEGCSA-N 0 3 340.456 2.801 50 0 EFAAHN CCC[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1N(C)C ZINC000095517625 473217994 /nfs/dbraw/zinc/21/79/94/473217994.db2.gz XATYKMUJRFUPAP-NVXWUHKLSA-N 0 3 334.435 2.977 50 0 EFAAHN COc1ccc2c(c1)OC[C@]1(CO)CN(CCCC(F)(F)F)C[C@H]21 ZINC000095529691 473220735 /nfs/dbraw/zinc/22/07/35/473220735.db2.gz DQBWTPVYFQOULJ-GDBMZVCRSA-N 0 3 345.361 2.808 50 0 EFAAHN OC[C@@H]1CCCCN1CCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082098541 473288243 /nfs/dbraw/zinc/28/82/43/473288243.db2.gz RJPFUKILMAIHCU-IBGZPJMESA-N 0 3 336.439 2.945 50 0 EFAAHN O=c1c2c3c(sc2ncn1Cc1ccc2ccccc2n1)CNCC3 ZINC000082096734 473288271 /nfs/dbraw/zinc/28/82/71/473288271.db2.gz LNATXQWOFZYJSN-UHFFFAOYSA-N 0 3 348.431 2.700 50 0 EFAAHN Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1C ZINC000082107806 473289628 /nfs/dbraw/zinc/28/96/28/473289628.db2.gz OEMPKFPRRRPTSE-OAQYLSRUSA-N 0 3 344.499 2.890 50 0 EFAAHN Cc1ccc2[nH]c(CN[C@H]3CCOC4(CCOCC4)C3)nc2c1C ZINC000082109706 473290663 /nfs/dbraw/zinc/29/06/63/473290663.db2.gz LWJSOUVJVPKNEB-HNNXBMFYSA-N 0 3 329.444 2.998 50 0 EFAAHN COc1ccc(F)c(CN[C@H]2CCOC3(CCOCC3)C2)c1F ZINC000082155721 473295877 /nfs/dbraw/zinc/29/58/77/473295877.db2.gz PYZBGRLUVMBNRD-LBPRGKRZSA-N 0 3 327.371 2.791 50 0 EFAAHN CC(C)Cc1cc(C(=O)N(C)[C@H](CN(C)C)c2ccccc2)n(C)n1 ZINC000082156304 473297816 /nfs/dbraw/zinc/29/78/16/473297816.db2.gz WRHOCHNGYKVABN-LJQANCHMSA-N 0 3 342.487 2.994 50 0 EFAAHN CCOC(=O)[C@H]1CCCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000146332235 473298249 /nfs/dbraw/zinc/29/82/49/473298249.db2.gz XVGAIUQGUPGMIU-AWEZNQCLSA-N 0 3 340.464 2.661 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000146332016 473299097 /nfs/dbraw/zinc/29/90/97/473299097.db2.gz XVGAIUQGUPGMIU-CQSZACIVSA-N 0 3 340.464 2.661 50 0 EFAAHN CCCc1cc(N2CCC(NCc3cc(C)nn3C)CC2)nc(C)n1 ZINC000096138230 473311657 /nfs/dbraw/zinc/31/16/57/473311657.db2.gz ZZGFKYUEFVJKMS-UHFFFAOYSA-N 0 3 342.491 2.538 50 0 EFAAHN CC[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CCN1C(C)C ZINC000096141225 473312963 /nfs/dbraw/zinc/31/29/63/473312963.db2.gz PNFKDGGDVZJTDE-QGZVFWFLSA-N 0 3 330.476 2.627 50 0 EFAAHN CC[C@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)CCN1C(C)C ZINC000096141226 473313224 /nfs/dbraw/zinc/31/32/24/473313224.db2.gz PNFKDGGDVZJTDE-KRWDZBQOSA-N 0 3 330.476 2.627 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000000176273 471331280 /nfs/dbraw/zinc/33/12/80/471331280.db2.gz DIPYKFHAIZSMGP-QGZVFWFLSA-N 0 3 344.455 2.779 50 0 EFAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000000176258 471331444 /nfs/dbraw/zinc/33/14/44/471331444.db2.gz HJCKSXVTNQDGGU-UHFFFAOYSA-N 0 3 340.370 2.569 50 0 EFAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1 ZINC000000176318 471331821 /nfs/dbraw/zinc/33/18/21/471331821.db2.gz NIGJPTCHWRQBHJ-INIZCTEOSA-N 0 3 332.444 2.907 50 0 EFAAHN CC(C)CCNC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000000299277 471344723 /nfs/dbraw/zinc/34/47/23/471344723.db2.gz YZVTUNKEJKCCHK-UHFFFAOYSA-N 0 3 332.444 2.790 50 0 EFAAHN COc1cc(OC)cc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000000350361 471350046 /nfs/dbraw/zinc/35/00/46/471350046.db2.gz DDCXDFCSGZSAMR-UHFFFAOYSA-N 0 3 332.444 2.794 50 0 EFAAHN CCOc1ccc2[nH]c3c(ncn(CCN(CC)CC)c3=O)c2c1 ZINC000002325961 471405869 /nfs/dbraw/zinc/40/58/69/471405869.db2.gz WSMWCIPUZTYPDE-UHFFFAOYSA-N 0 3 328.416 2.618 50 0 EFAAHN Cc1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)c(C)c1 ZINC000002451843 471407937 /nfs/dbraw/zinc/40/79/37/471407937.db2.gz DIRFDJONDWSQAR-LJQANCHMSA-N 0 3 329.440 2.538 50 0 EFAAHN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCNCC3)n2)c1 ZINC000002554513 471411638 /nfs/dbraw/zinc/41/16/38/471411638.db2.gz RSIDYVYIIJMCNE-UHFFFAOYSA-N 0 3 338.333 2.581 50 0 EFAAHN Cc1ccc(CNCCSc2nnnn2-c2ccccc2)s1 ZINC000004488585 471467340 /nfs/dbraw/zinc/46/73/40/471467340.db2.gz SGSZWADBSFDKBZ-UHFFFAOYSA-N 0 3 331.470 2.914 50 0 EFAAHN CCN(CC)CCOC(=O)c1ccccc1I ZINC000004664768 471470883 /nfs/dbraw/zinc/47/08/83/471470883.db2.gz YBOINLHVOAMYNS-UHFFFAOYSA-N 0 3 347.196 2.790 50 0 EFAAHN COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000004725483 471472122 /nfs/dbraw/zinc/47/21/22/471472122.db2.gz HFOJAHSSAWEDMS-UHFFFAOYSA-N 0 3 334.460 2.688 50 0 EFAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=N ZINC000004793543 471475299 /nfs/dbraw/zinc/47/52/99/471475299.db2.gz OGNHKPNBIHINDP-QGZVFWFLSA-N 0 3 342.443 2.591 50 0 EFAAHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCC(N)=O ZINC000006701266 471560827 /nfs/dbraw/zinc/56/08/27/471560827.db2.gz KEDCYJDGYHCTFC-UHFFFAOYSA-N 0 3 334.803 2.503 50 0 EFAAHN Cn1nnnc1SCCCNCc1cccc(Cl)c1Cl ZINC000007541549 471620800 /nfs/dbraw/zinc/62/08/00/471620800.db2.gz DIZAGGIJBPRTII-UHFFFAOYSA-N 0 3 332.260 2.789 50 0 EFAAHN O=C(c1ccc2ccccc2c1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008973305 471707484 /nfs/dbraw/zinc/70/74/84/471707484.db2.gz JQPXBRWCQYAQCC-UHFFFAOYSA-N 0 3 346.434 2.840 50 0 EFAAHN Cc1ccc(Nc2nc(NCCN(C)C)nc3nccnc32)cc1C ZINC000009074589 471708789 /nfs/dbraw/zinc/70/87/89/471708789.db2.gz DNYWAEXBBJMXGN-UHFFFAOYSA-N 0 3 337.431 2.754 50 0 EFAAHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)cc1 ZINC000010544213 471738026 /nfs/dbraw/zinc/73/80/26/471738026.db2.gz ACUDMHLWTRHWLL-HNNXBMFYSA-N 0 3 340.489 2.628 50 0 EFAAHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000010544029 471738180 /nfs/dbraw/zinc/73/81/80/471738180.db2.gz IGWBHYUUBZAHBD-KBPBESRZSA-N 0 3 344.908 2.986 50 0 EFAAHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1F ZINC000010544243 471738278 /nfs/dbraw/zinc/73/82/78/471738278.db2.gz OCHKTOHTMQOYEX-INIZCTEOSA-N 0 3 342.480 2.900 50 0 EFAAHN CN(C(=O)C1CCOCC1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011840659 471759997 /nfs/dbraw/zinc/75/99/97/471759997.db2.gz PVRTVPJXZLXPKQ-FQEVSTJZSA-N 0 3 344.499 2.969 50 0 EFAAHN CN(C)CCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000011817764 471760550 /nfs/dbraw/zinc/76/05/50/471760550.db2.gz OSLCBVCOJRSJAI-KRWDZBQOSA-N 0 3 340.423 2.615 50 0 EFAAHN CSc1ccccc1C(=O)N1CCC[C@H](N2CCC(CO)CC2)C1 ZINC000012429600 471775111 /nfs/dbraw/zinc/77/51/11/471775111.db2.gz GAAOBTHPKAIMIR-INIZCTEOSA-N 0 3 348.512 2.717 50 0 EFAAHN COC(=O)CCCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012386638 471775364 /nfs/dbraw/zinc/77/53/64/471775364.db2.gz IXLWNTWTWWZXGV-GOSISDBHSA-N 0 3 346.471 2.543 50 0 EFAAHN CN(C(=O)c1c[nH]cn1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012446023 471775724 /nfs/dbraw/zinc/77/57/24/471775724.db2.gz KEZTUKMDFLWTLF-KRWDZBQOSA-N 0 3 326.444 2.579 50 0 EFAAHN Cc1cccc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)n1 ZINC000012447906 471775777 /nfs/dbraw/zinc/77/57/77/471775777.db2.gz FLEBUUUFBZTFEM-LJQANCHMSA-N 0 3 345.487 2.677 50 0 EFAAHN COc1cccc(C(=O)[C@H]2CCCN(CCCn3cccn3)C2)c1 ZINC000012465748 471776336 /nfs/dbraw/zinc/77/63/36/471776336.db2.gz FDPDNGUTRBPTJY-KRWDZBQOSA-N 0 3 327.428 2.877 50 0 EFAAHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012702612 471790429 /nfs/dbraw/zinc/79/04/29/471790429.db2.gz BGSMDKVTZZERLF-IBGZPJMESA-N 0 3 336.451 2.657 50 0 EFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000013328606 471826208 /nfs/dbraw/zinc/82/62/08/471826208.db2.gz XSVNPOMPSPGRRX-UHFFFAOYSA-N 0 3 338.407 2.810 50 0 EFAAHN O=S(=O)(Cc1c(F)cccc1Cl)NCCCN1CCCCC1 ZINC000013613367 471834855 /nfs/dbraw/zinc/83/48/55/471834855.db2.gz DAMBNCMCAITLMU-UHFFFAOYSA-N 0 3 348.871 2.775 50 0 EFAAHN O=C(CC1N=C(N2CCc3ccccc32)NC1=O)Nc1ccccc1 ZINC000013729515 471841456 /nfs/dbraw/zinc/84/14/56/471841456.db2.gz RCTULUFXEXZYPK-HNNXBMFYSA-N 0 3 334.379 2.773 50 0 EFAAHN CCCN1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000013835341 471843817 /nfs/dbraw/zinc/84/38/17/471843817.db2.gz KBYRJQLFUMUNLE-LJQANCHMSA-N 0 3 339.435 2.950 50 0 EFAAHN CC(C)CN1C(=O)N(C)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014740504 471878896 /nfs/dbraw/zinc/87/88/96/471878896.db2.gz MMRPNSLGJUFRRM-UHFFFAOYSA-N 0 3 329.444 2.571 50 0 EFAAHN CN(C[C@H]1CCCN(C)C1)C(=O)c1coc(COc2ccccc2)n1 ZINC000014953192 471882986 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CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cc(C)ccc2OC)C1 ZINC000000254513 471339763 /nfs/dbraw/zinc/33/97/63/471339763.db2.gz MXBRIHIXJIKSHK-HNNXBMFYSA-N 0 3 348.443 2.607 50 0 EFAAHN CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](N2CCCCC2)[C@H]1O ZINC000000293718 471344058 /nfs/dbraw/zinc/34/40/58/471344058.db2.gz HZFAZVKVQKOGJZ-FUHWJXTLSA-N 0 3 329.396 2.852 50 0 biogenic EFAAHN CC[C@]1(C)C[C@@](O)(CCNCc2ccc(OC)c(OC)c2)CCO1 ZINC000001774011 471397858 /nfs/dbraw/zinc/39/78/58/471397858.db2.gz LYWNZVLBDLLGAO-RTBURBONSA-N 0 3 337.460 2.894 50 0 biogenic EFAAHN NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2Cl)CC1 ZINC000002228928 471403509 /nfs/dbraw/zinc/40/35/09/471403509.db2.gz KYBLETXRWFZIMH-UHFFFAOYSA-N 0 3 335.879 2.646 50 0 EFAAHN CCOC(=O)C1CCN(C[C@@H](O)CO[C@H](CC)c2ccccc2)CC1 ZINC000002694604 471416493 /nfs/dbraw/zinc/41/64/93/471416493.db2.gz CKONUNUKDQTABY-RTBURBONSA-N 0 3 349.471 2.790 50 0 EFAAHN COc1ccc(NC(=O)CCN(CCO)Cc2ccccc2)cc1 ZINC000002765114 471420325 /nfs/dbraw/zinc/42/03/25/471420325.db2.gz 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/nfs/dbraw/zinc/79/31/35/471793135.db2.gz BZYCVBKFRXWVAW-QGZVFWFLSA-N 0 3 344.455 2.601 50 0 EFAAHN O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1cc(C2CC2)on1 ZINC000012836248 471800351 /nfs/dbraw/zinc/80/03/51/471800351.db2.gz QDVFAUQXUGXUCE-QGZVFWFLSA-N 0 3 339.439 2.989 50 0 EFAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000013646210 471836221 /nfs/dbraw/zinc/83/62/21/471836221.db2.gz IMDXZELLAHADLO-OAHLLOKOSA-N 0 3 328.453 2.759 50 0 EFAAHN O=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCCCC1 ZINC000013670565 471837703 /nfs/dbraw/zinc/83/77/03/471837703.db2.gz GNIDHNUTOGDEIX-UHFFFAOYSA-N 0 3 330.881 2.635 50 0 EFAAHN CCN1CCC2(CC1)OCCN2C(=O)c1ccc(OC)c(Cl)c1 ZINC000013725759 471840997 /nfs/dbraw/zinc/84/09/97/471840997.db2.gz RLMAMZQDDXZPFJ-UHFFFAOYSA-N 0 3 338.835 2.633 50 0 EFAAHN COc1cc(C[C@@H]2CC(CN3CCCCC3)=NO2)cc2c1OCO2 ZINC000015085670 471888469 /nfs/dbraw/zinc/88/84/69/471888469.db2.gz PWBNIKLMOZLDGM-OAHLLOKOSA-N 0 3 332.400 2.597 50 0 EFAAHN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCC(N)=O)CC2 ZINC000015083052 471888890 /nfs/dbraw/zinc/88/88/90/471888890.db2.gz YMVNEOZGJQBOGY-FQEVSTJZSA-N 0 3 340.423 2.527 50 0 biogenic EFAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCN(C)C ZINC000016604011 471944278 /nfs/dbraw/zinc/94/42/78/471944278.db2.gz HNUIWMPETJRSFH-UHFFFAOYSA-N 0 3 325.771 2.734 50 0 EFAAHN O=C1C[C@H](NCCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000018115934 471969486 /nfs/dbraw/zinc/96/94/86/471969486.db2.gz ZRLKKUJPUWYEKS-INIZCTEOSA-N 0 3 346.789 2.943 50 0 EFAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000018223104 471973834 /nfs/dbraw/zinc/97/38/34/471973834.db2.gz XBEWRZWPPTUION-IBGZPJMESA-N 0 3 347.418 2.628 50 0 EFAAHN CN1CCN(CCn2c(C(C)(C)C)cn3c4ccccc4nc32)CC1 ZINC000019691055 471983011 /nfs/dbraw/zinc/98/30/11/471983011.db2.gz HIHJVHOIMHPEGD-UHFFFAOYSA-N 0 3 339.487 2.834 50 0 EFAAHN CC1=C(CCN2CCN(c3cnn(C)c(=O)c3)CC2)C(C)(C)CCC1 ZINC000019840632 471984061 /nfs/dbraw/zinc/98/40/61/471984061.db2.gz LJTFGECMROHTHI-UHFFFAOYSA-N 0 3 344.503 2.819 50 0 EFAAHN C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)c1ccccc1 ZINC000035080234 471993940 /nfs/dbraw/zinc/99/39/40/471993940.db2.gz HGOOISFRTZCVFQ-XIRDDKMYSA-N 0 3 334.460 2.955 50 0 EFAAHN CN1CCN(CC[C@@H]2CCCCN2C(=S)Nc2ccccc2)CC1 ZINC000022935438 472023499 /nfs/dbraw/zinc/02/34/99/472023499.db2.gz RHIRKHKXAMLAIB-SFHVURJKSA-N 0 3 346.544 2.875 50 0 EFAAHN Cc1ccc(-c2ccccc2CN2CC[C@H](CNS(C)(=O)=O)C2)o1 ZINC000067724791 472079551 /nfs/dbraw/zinc/07/95/51/472079551.db2.gz ORCMHWHCYKFOLX-OAHLLOKOSA-N 0 3 348.468 2.626 50 0 EFAAHN Cc1cc(N2CCC[C@](CO)(CCCc3ccccc3)C2)nc(N)n1 ZINC000067772583 472087963 /nfs/dbraw/zinc/08/79/63/472087963.db2.gz CILSBPSVDVVHIX-HXUWFJFHSA-N 0 3 340.471 2.969 50 0 EFAAHN COc1ccc2c(C)nc(N3CCC[C@@]4(CCN(C)C4)C3)nc2c1 ZINC000067881370 472103954 /nfs/dbraw/zinc/10/39/54/472103954.db2.gz CTINJVOPJXJELZ-IBGZPJMESA-N 0 3 326.444 2.869 50 0 EFAAHN Cc1nc[nH]c1CN1CCC[C@H](CCNC(=O)NC2CCCC2)C1 ZINC000067895248 472107034 /nfs/dbraw/zinc/10/70/34/472107034.db2.gz AASOUPRUADELER-OAHLLOKOSA-N 0 3 333.480 2.562 50 0 EFAAHN COc1ccc(CNC[C@H](O)COc2cccc(C)c2)cc1OC ZINC000068049440 472128096 /nfs/dbraw/zinc/12/80/96/472128096.db2.gz ZYIFWAXAQFMLBC-INIZCTEOSA-N 0 3 331.412 2.542 50 0 EFAAHN O=C1CC[C@]2(CCCN(C/C=C/c3ccccc3)C2)CN1CCCO ZINC000085479065 472254832 /nfs/dbraw/zinc/25/48/32/472254832.db2.gz OQRADWPVJNLNSV-ZSIUJALASA-N 0 3 342.483 2.787 50 0 EFAAHN CN(C(=O)c1sc(N)nc1-c1ccccc1)C1CCN(C)CC1 ZINC000031972513 472405808 /nfs/dbraw/zinc/40/58/08/472405808.db2.gz REUBVDHQRHVXME-UHFFFAOYSA-N 0 3 330.457 2.559 50 0 EFAAHN CN(C)Cc1ccc(C(=O)N(Cc2cocn2)Cc2cocn2)cc1 ZINC000097076765 472431737 /nfs/dbraw/zinc/43/17/37/472431737.db2.gz LWSBGMSYYKRZIO-UHFFFAOYSA-N 0 3 340.383 2.567 50 0 EFAAHN CCc1nnc2n1C[C@@H](NCc1cc(Br)cs1)CC2 ZINC000097199355 472475086 /nfs/dbraw/zinc/47/50/86/472475086.db2.gz XJEUGHPHMZECNW-JTQLQIEISA-N 0 3 341.278 2.769 50 0 EFAAHN Cc1ccc(NC[C@H]2CCN(Cc3ccc4c(c3)OC(=O)C4)C2)nc1 ZINC000097200520 472478776 /nfs/dbraw/zinc/47/87/76/472478776.db2.gz NGMGRYYLLRNCFW-MRXNPFEDSA-N 0 3 337.423 2.786 50 0 EFAAHN CN1CCCCC[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1 ZINC000097528038 472500052 /nfs/dbraw/zinc/50/00/52/472500052.db2.gz ALIYJRUXUQUVSA-LJQANCHMSA-N 0 3 338.455 2.880 50 0 EFAAHN Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)cc2)n1 ZINC000077319885 472502384 /nfs/dbraw/zinc/50/23/84/472502384.db2.gz IMIWXKXDNWWZTI-PKOBYXMFSA-N 0 3 338.455 2.798 50 0 EFAAHN Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077321494 472503998 /nfs/dbraw/zinc/50/39/98/472503998.db2.gz PIKUKRIKUXOGAM-QGZVFWFLSA-N 0 3 349.438 2.701 50 0 EFAAHN O=C(Cc1cccnc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000077355989 472511577 /nfs/dbraw/zinc/51/15/77/472511577.db2.gz DSMBQLNZBCUZOE-UHFFFAOYSA-N 0 3 337.467 2.791 50 0 EFAAHN CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCN1C(C)C ZINC000077408334 472522221 /nfs/dbraw/zinc/52/22/21/472522221.db2.gz PMHIUVWLVKXZLE-KRWDZBQOSA-N 0 3 326.444 2.817 50 0 EFAAHN COCCN1C[C@]2(CCCN(Cc3ccc(OC)cc3)C2)CCC1=O ZINC000077407049 472522435 /nfs/dbraw/zinc/52/24/35/472522435.db2.gz CMKYIWKZLSSKFW-HXUWFJFHSA-N 0 3 346.471 2.546 50 0 EFAAHN Cc1oncc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077408433 472522859 /nfs/dbraw/zinc/52/28/59/472522859.db2.gz VUGOEPXOZXXQOF-UHFFFAOYSA-N 0 3 327.428 2.764 50 0 EFAAHN CCc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)ccn1 ZINC000077421144 472524705 /nfs/dbraw/zinc/52/47/05/472524705.db2.gz TWSBFUANXCKSAX-UHFFFAOYSA-N 0 3 349.478 2.959 50 0 EFAAHN Cn1cccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000077440057 472527684 /nfs/dbraw/zinc/52/76/84/472527684.db2.gz VDBLCNBLVPZOET-UHFFFAOYSA-N 0 3 325.456 2.806 50 0 EFAAHN O=C1CC[C@]2(CCCN(CCOc3ccccc3)C2)CN1C1CC1 ZINC000077439506 472527912 /nfs/dbraw/zinc/52/79/12/472527912.db2.gz AXPUAWYEUHSDFV-FQEVSTJZSA-N 0 3 328.456 2.932 50 0 EFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000077471791 472532870 /nfs/dbraw/zinc/53/28/70/472532870.db2.gz ZKEBPTXDPGQCNA-OALUTQOASA-N 0 3 341.455 2.689 50 0 EFAAHN c1cc(-c2ccc(CN3CCCC[C@@H]3CN3CCOCC3)s2)n[nH]1 ZINC000077524213 472547492 /nfs/dbraw/zinc/54/74/92/472547492.db2.gz PYLUPZZXSUNLRE-OAHLLOKOSA-N 0 3 346.500 2.825 50 0 EFAAHN COCCN1C[C@@]2(CCCN(Cc3ccc(C)s3)C2)CCC1=O ZINC000077541092 472551573 /nfs/dbraw/zinc/55/15/73/472551573.db2.gz FDIXTFNGEMWYOH-SFHVURJKSA-N 0 3 336.501 2.908 50 0 EFAAHN COCCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071589518 472553247 /nfs/dbraw/zinc/55/32/47/472553247.db2.gz YEGQWXWAGSZBJT-GOSISDBHSA-N 0 3 336.451 2.921 50 0 EFAAHN COCCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071589517 472553728 /nfs/dbraw/zinc/55/37/28/472553728.db2.gz YEGQWXWAGSZBJT-SFHVURJKSA-N 0 3 336.451 2.921 50 0 EFAAHN CC(C)[C@H]1CN(C(=O)C2(N)CCC2)CCCN1Cc1ccc(F)cc1 ZINC000071746425 472557924 /nfs/dbraw/zinc/55/79/24/472557924.db2.gz AYCPPSDGRYWLJC-GOSISDBHSA-N 0 3 347.478 2.766 50 0 EFAAHN CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CCNC2 ZINC000071746355 472558735 /nfs/dbraw/zinc/55/87/35/472558735.db2.gz FSIMDUBZLYFGPV-UHFFFAOYSA-N 0 3 345.450 2.863 50 0 EFAAHN Fc1cccc([C@H]2CN(Cc3c[nH]cn3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071755424 472559806 /nfs/dbraw/zinc/55/98/06/472559806.db2.gz DYVKAAHNBLSFCC-ATZDWAIDSA-N 0 3 344.409 2.750 50 0 EFAAHN Fc1cccc([C@H]2CN(Cc3cnc[nH]3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071755424 472559813 /nfs/dbraw/zinc/55/98/13/472559813.db2.gz DYVKAAHNBLSFCC-ATZDWAIDSA-N 0 3 344.409 2.750 50 0 EFAAHN O=C(C1CCOCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071761068 472562146 /nfs/dbraw/zinc/56/21/46/472562146.db2.gz SKYSHASBJJTAIK-XUVXKRRUSA-N 0 3 340.467 2.502 50 0 EFAAHN CCN(C)C(=O)CN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071767943 472562689 /nfs/dbraw/zinc/56/26/89/472562689.db2.gz UOCXLAUURVHQSB-IBGZPJMESA-N 0 3 349.494 2.836 50 0 EFAAHN CC(C)[C@@H]1CN(Cc2cccc3nonc32)CCC(=O)N1CC1CC1 ZINC000071775707 472565016 /nfs/dbraw/zinc/56/50/16/472565016.db2.gz FANRFNAIVXBMBQ-KRWDZBQOSA-N 0 3 342.443 2.692 50 0 EFAAHN CC(C)c1cc(N2CCCN(c3ccncc3)CC2)n2nccc2n1 ZINC000072149512 472631244 /nfs/dbraw/zinc/63/12/44/472631244.db2.gz HBCXVDWIFALZDP-UHFFFAOYSA-N 0 3 336.443 2.964 50 0 EFAAHN CN(C)[C@H](CNC(=O)NCc1cccs1)c1ccc2c(c1)CCO2 ZINC000090607311 472642684 /nfs/dbraw/zinc/64/26/84/472642684.db2.gz HPFXBECJMOWFLD-MRXNPFEDSA-N 0 3 345.468 2.785 50 0 EFAAHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000090699632 472653722 /nfs/dbraw/zinc/65/37/22/472653722.db2.gz BQPXLMPWMFOJAD-GOSISDBHSA-N 0 3 343.496 2.987 50 0 EFAAHN NC(=O)C[C@H]1CCCCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000120643978 472724264 /nfs/dbraw/zinc/72/42/64/472724264.db2.gz UYIJTSWVEKKBQK-MRXNPFEDSA-N 0 3 332.835 2.756 50 0 EFAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(Cl)c1)C2 ZINC000091270299 472750393 /nfs/dbraw/zinc/75/03/93/472750393.db2.gz JZLUYJSLSZLPHM-JKSUJKDBSA-N 0 3 338.879 2.891 50 0 EFAAHN COc1ccc2c(c1)OC[C@H](Cc1ccc(CNCCO)cc1)C2 ZINC000091621138 472784619 /nfs/dbraw/zinc/78/46/19/472784619.db2.gz QPTDAJXIHXEFNA-QGZVFWFLSA-N 0 3 327.424 2.571 50 0 EFAAHN Cc1nsc(NC(=O)NCC2(c3ccccc3)CCN(C)CC2)n1 ZINC000063856928 472821082 /nfs/dbraw/zinc/82/10/82/472821082.db2.gz QNIBNPKOCQZTTF-UHFFFAOYSA-N 0 3 345.472 2.632 50 0 EFAAHN CC(C)(N)c1cn(C2CCN(C(=O)CC3=CCCCC3)CC2)nn1 ZINC000048234131 472836759 /nfs/dbraw/zinc/83/67/59/472836759.db2.gz NURXNYLPQFYERU-UHFFFAOYSA-N 0 3 331.464 2.526 50 0 EFAAHN CCc1cc(CN2C[C@H]3CC[C@H](CN3Cc3ccccn3)C2)on1 ZINC000092021746 472845475 /nfs/dbraw/zinc/84/54/75/472845475.db2.gz DTCXRPNENFYOHB-MAUKXSAKSA-N 0 3 326.444 2.728 50 0 EFAAHN Cc1cccc(NC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1C ZINC000065361821 472925474 /nfs/dbraw/zinc/92/54/74/472925474.db2.gz PKPYFPKGQZYQRF-UHFFFAOYSA-N 0 3 342.447 2.701 50 0 EFAAHN Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2)cc(N(C)C)n1 ZINC000065362212 472925557 /nfs/dbraw/zinc/92/55/57/472925557.db2.gz GAOJPBFAUMAQLU-UHFFFAOYSA-N 0 3 348.838 2.738 50 0 EFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)nc(C)n1 ZINC000065363044 472927122 /nfs/dbraw/zinc/92/71/22/472927122.db2.gz CTUXDQAISLBHJK-UHFFFAOYSA-N 0 3 340.431 2.571 50 0 EFAAHN C[C@@H](NCCC(=O)NCc1ccco1)c1ccc2c(c1)OCCCO2 ZINC000065376185 472929181 /nfs/dbraw/zinc/92/91/81/472929181.db2.gz HSFJDYZPMPVBFQ-CQSZACIVSA-N 0 3 344.411 2.798 50 0 EFAAHN CCc1cccc(NC(=O)CCN2CCN(c3ccncc3)CC2)c1 ZINC000065382696 472929308 /nfs/dbraw/zinc/92/93/08/472929308.db2.gz WFBZEMDVRIFGFB-UHFFFAOYSA-N 0 3 338.455 2.795 50 0 EFAAHN C[C@@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1 ZINC000065395965 472932001 /nfs/dbraw/zinc/93/20/01/472932001.db2.gz GXGBREXULLGGDK-OAHLLOKOSA-N 0 3 348.462 2.911 50 0 EFAAHN CC(=O)NCC1=CCCN(Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000065399368 472933750 /nfs/dbraw/zinc/93/37/50/472933750.db2.gz RKQDEJZIMCVLEX-UHFFFAOYSA-N 0 3 338.455 2.757 50 0 EFAAHN CC(=O)Nc1ccccc1NC(=O)CN[C@H](C)Cc1ncccc1C ZINC000065425295 472940030 /nfs/dbraw/zinc/94/00/30/472940030.db2.gz WFNMFDHXLYOBMS-CQSZACIVSA-N 0 3 340.427 2.508 50 0 EFAAHN O=C(NCCN1CCCCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000065434241 472942291 /nfs/dbraw/zinc/94/22/91/472942291.db2.gz XYLZUUYFOYGBJU-UHFFFAOYSA-N 0 3 348.462 2.866 50 0 EFAAHN CC(C)[C@@H](Cn1ccnc1)NCC(=O)Nc1ccc(Cl)cc1F ZINC000065451480 472944148 /nfs/dbraw/zinc/94/41/48/472944148.db2.gz WQNILKVCFAUEKI-OAHLLOKOSA-N 0 3 338.814 2.929 50 0 EFAAHN COc1cc2c(cc1CN1CCC[C@@H](Cn3ccnc3)C1)OCO2 ZINC000065460378 472947348 /nfs/dbraw/zinc/94/73/48/472947348.db2.gz QHRYSVJZYQFSIX-CQSZACIVSA-N 0 3 329.400 2.533 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1ccc(Br)s1)CC2 ZINC000065463340 472948453 /nfs/dbraw/zinc/94/84/53/472948453.db2.gz NCYDYGWBLBRBGL-SECBINFHSA-N 0 3 327.251 2.515 50 0 EFAAHN O=C(CCNCc1ccccc1-n1cncn1)Nc1ccccc1F ZINC000065508639 472959535 /nfs/dbraw/zinc/95/95/35/472959535.db2.gz KXJJNTFKMUBLBP-UHFFFAOYSA-N 0 3 339.374 2.525 50 0 EFAAHN c1ccc(NC[C@H]2CCN(Cc3cccc4c3OCCO4)C2)nc1 ZINC000065520788 472964931 /nfs/dbraw/zinc/96/49/31/472964931.db2.gz JUDINGFVEFRYSM-OAHLLOKOSA-N 0 3 325.412 2.787 50 0 EFAAHN O=C(c1ccc(CN2CCCCC2)cc1)N(CCO)Cc1ccco1 ZINC000065535272 472969223 /nfs/dbraw/zinc/96/92/23/472969223.db2.gz XBXHMOKLIUCSCR-UHFFFAOYSA-N 0 3 342.439 2.900 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1cc(Cl)c3c(c1)OCCCO3)CC2 ZINC000065538567 472970770 /nfs/dbraw/zinc/97/07/70/472970770.db2.gz CGGSCSCEYSXXIQ-CYBMUJFWSA-N 0 3 348.834 2.506 50 0 EFAAHN Cc1nn(C)c(N(C)C)c1CNC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065552453 472975778 /nfs/dbraw/zinc/97/57/78/472975778.db2.gz RZIBKPHTYLGPHD-HNNXBMFYSA-N 0 3 345.466 2.550 50 0 EFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000095386454 473194301 /nfs/dbraw/zinc/19/43/01/473194301.db2.gz OXRVGBGDLCYOLO-CQSZACIVSA-N 0 3 332.473 2.526 50 0 EFAAHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1ccc(F)c(F)c1 ZINC000195513334 474086048 /nfs/dbraw/zinc/08/60/48/474086048.db2.gz XSBNKLXURCOCBA-UHFFFAOYSA-N 0 3 334.370 2.896 50 0 EFAAHN O=C(CSCCN1CCCC1)N1CCCC[C@@H]1c1ccccn1 ZINC000219964478 474150786 /nfs/dbraw/zinc/15/07/86/474150786.db2.gz DTCQIHVDCKNGKV-QGZVFWFLSA-N 0 3 333.501 2.964 50 0 EFAAHN CCc1nccn1CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000219916931 474151228 /nfs/dbraw/zinc/15/12/28/474151228.db2.gz BJSZZLIMDHPRDO-GOSISDBHSA-N 0 3 340.471 2.616 50 0 EFAAHN CCN(CCN1CCCC1)Cc1cc2c(cc1OC)OCCCO2 ZINC000220114830 474152540 /nfs/dbraw/zinc/15/25/40/474152540.db2.gz SKXMLXHCKTXCLW-UHFFFAOYSA-N 0 3 334.460 2.774 50 0 EFAAHN COc1ccc(C)cc1[C@@H](O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000222199906 474166126 /nfs/dbraw/zinc/16/61/26/474166126.db2.gz URJFYLVZTGSTDM-WMZOPIPTSA-N 0 3 341.455 2.866 50 0 EFAAHN OCCN1CCN(C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000222726994 474173111 /nfs/dbraw/zinc/17/31/11/474173111.db2.gz YAOINPOZZMLBID-OAQYLSRUSA-N 0 3 336.479 2.603 50 0 EFAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3cccc(F)c3)cc2)C1 ZINC000222757515 474174162 /nfs/dbraw/zinc/17/41/62/474174162.db2.gz QSRCOKXCJHAHHA-MOPGFXCFSA-N 0 3 342.414 2.630 50 0 EFAAHN Cc1cccc(NC[C@H]2CCN([C@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000225219198 474206059 /nfs/dbraw/zinc/20/60/59/474206059.db2.gz ABXUUVIMEUTFIT-HZPDHXFCSA-N 0 3 330.476 2.571 50 0 EFAAHN Cc1ccc(-c2cccc(CN3CCN4CCN(C)C[C@H]4C3)c2)o1 ZINC000225317387 474207651 /nfs/dbraw/zinc/20/76/51/474207651.db2.gz OHZWGVCSUJRNBN-IBGZPJMESA-N 0 3 325.456 2.687 50 0 EFAAHN O=C(c1ccc(Cl)cc1)N1CCCN(CCCn2ccnc2)CC1 ZINC000182700379 474236128 /nfs/dbraw/zinc/23/61/28/474236128.db2.gz OIJINZDUNCYEJJ-UHFFFAOYSA-N 0 3 346.862 2.775 50 0 EFAAHN CCN(CC)CCOC(=O)C[C@](C)(O)[C@H]1CCO[C@](C)(CC)C1 ZINC000248099604 474259308 /nfs/dbraw/zinc/25/93/08/474259308.db2.gz NJVWNHTWZNLWLA-JQHSSLGASA-N 0 3 329.481 2.608 50 0 biogenic EFAAHN C[C@H](NC[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000248241156 474284552 /nfs/dbraw/zinc/28/45/52/474284552.db2.gz HEBNAYZDCNQROW-CKFHNAJUSA-N 0 3 327.380 2.645 50 0 biogenic EFAAHN Cc1noc(C)c1C(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000243956753 474564266 /nfs/dbraw/zinc/56/42/66/474564266.db2.gz CDLKMSXHCQDLMJ-INIZCTEOSA-N 0 3 327.428 2.819 50 0 EFAAHN COCCn1cncc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000244724734 474565144 /nfs/dbraw/zinc/56/51/44/474565144.db2.gz MZTMZBCJGFVJDZ-GOSISDBHSA-N 0 3 328.460 2.912 50 0 EFAAHN CN(CCC(=O)Nc1cccnc1)Cc1n[nH]c2c1CCCCC2 ZINC000244734315 474566311 /nfs/dbraw/zinc/56/63/11/474566311.db2.gz NDFLHYBHZZMNDA-UHFFFAOYSA-N 0 3 327.432 2.534 50 0 EFAAHN C(c1noc(C2CCCC2)n1)N1CCN(C2CCSCC2)CC1 ZINC000244899600 474568492 /nfs/dbraw/zinc/56/84/92/474568492.db2.gz ZMQGOXLWKSOZCU-UHFFFAOYSA-N 0 3 336.505 2.740 50 0 EFAAHN Cc1nccn1CCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000252478172 474664452 /nfs/dbraw/zinc/66/44/52/474664452.db2.gz AFDGSOPJLDPBJW-IBGZPJMESA-N 0 3 325.412 2.692 50 0 EFAAHN COC(=O)C[C@H](c1c(O)ncc(C(=O)OC)c1O)C1CCCCC1 ZINC000252489159 474675632 /nfs/dbraw/zinc/67/56/32/474675632.db2.gz JIKCHNCMGLWWPH-NSHDSACASA-N 0 3 337.372 2.506 50 0 biogenic EFAAHN C[C@@H]1CN(C(=O)CN2CCC[C@H](c3ccccc3)CC2)C[C@H](C)O1 ZINC000340186891 475837878 /nfs/dbraw/zinc/83/78/78/475837878.db2.gz WSLSLKKKAFBDCQ-SCTDSRPQSA-N 0 3 330.472 2.892 50 0 EFAAHN CCn1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)n1 ZINC000299764260 476151798 /nfs/dbraw/zinc/15/17/98/476151798.db2.gz RBUYWHPGAIRQJV-GOSISDBHSA-N 0 3 326.444 2.860 50 0 EFAAHN Cc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)nc(C)n1 ZINC000299769725 476154309 /nfs/dbraw/zinc/15/43/09/476154309.db2.gz PNGLTVDJKPYZGB-KRWDZBQOSA-N 0 3 338.455 2.621 50 0 EFAAHN Cc1ccc(C(=O)N2CCCN(C3CCOCC3)CC2)cc1Cl ZINC000363238682 476620894 /nfs/dbraw/zinc/62/08/94/476620894.db2.gz IAKPOHSYJNDARH-UHFFFAOYSA-N 0 3 336.863 2.975 50 0 EFAAHN Cc1nc(N)ccc1-c1cccc(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000426360417 477707077 /nfs/dbraw/zinc/70/70/77/477707077.db2.gz QPUIIEMDQNBIOG-UHFFFAOYSA-N 0 3 338.455 2.805 50 0 EFAAHN CCc1ccc(CN(CC)C(=O)NCCCN2CCC[C@H](O)C2)cc1 ZINC000426538696 477716879 /nfs/dbraw/zinc/71/68/79/477716879.db2.gz YHASQRJESYMVIU-IBGZPJMESA-N 0 3 347.503 2.627 50 0 EFAAHN Cc1ccsc1CNC(=O)N1CCC(N2CCSCC2)CC1 ZINC000426621567 477728342 /nfs/dbraw/zinc/72/83/42/477728342.db2.gz FYNABFFKTILHFH-UHFFFAOYSA-N 0 3 339.530 2.779 50 0 EFAAHN O=C(NC[C@H]1CNCCO1)c1cccc(-c2cc(Cl)ccc2F)c1 ZINC000426635779 477731275 /nfs/dbraw/zinc/73/12/75/477731275.db2.gz ZYZBUZYRZFUMRC-OAHLLOKOSA-N 0 3 348.805 2.864 50 0 EFAAHN COc1ccccc1CCCNC(=O)N1CC(N2CCCC[C@@H]2C)C1 ZINC000426690299 477738691 /nfs/dbraw/zinc/73/86/91/477738691.db2.gz NCUFGISDTYCJEX-INIZCTEOSA-N 0 3 345.487 2.896 50 0 EFAAHN CO[C@@H]1CC[C@@]2(OC)CCN(Cc3c(C)nn(C)c3Cl)[C@H]2C1 ZINC000426690028 477739239 /nfs/dbraw/zinc/73/92/39/477739239.db2.gz ZFVLKKYVOQLTMF-IVMMDQJWSA-N 0 3 327.856 2.540 50 0 EFAAHN Cc1cccc(C)c1OC1CN(C(=O)NC[C@@H]2CCCCN2C)C1 ZINC000426722690 477743290 /nfs/dbraw/zinc/74/32/90/477743290.db2.gz TWJZABQLDGQXAG-INIZCTEOSA-N 0 3 331.460 2.560 50 0 EFAAHN CC1CCN(CCNC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000534589102 478160439 /nfs/dbraw/zinc/16/04/39/478160439.db2.gz CWEMHKVNFVAPPO-GOSISDBHSA-N 0 3 331.460 2.581 50 0 EFAAHN Cc1ccnc(C[C@H](C)N(C)C(=O)NC2(CN3CCCCC3)CC2)c1 ZINC000534592854 478162225 /nfs/dbraw/zinc/16/22/25/478162225.db2.gz YSQJCMNNJBMJMH-KRWDZBQOSA-N 0 3 344.503 2.981 50 0 EFAAHN C[C@@H](CN1CCCCCC1)NCc1csc(-c2cnccn2)n1 ZINC000534631096 478163502 /nfs/dbraw/zinc/16/35/02/478163502.db2.gz ZZYBUGNWXYALCT-AWEZNQCLSA-N 0 3 331.489 2.954 50 0 EFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cn(C)nc2C)cc1 ZINC000534639349 478164744 /nfs/dbraw/zinc/16/47/44/478164744.db2.gz LBOFAMLPHPJGIW-QGZVFWFLSA-N 0 3 326.444 2.610 50 0 EFAAHN C[C@@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CCCC1 ZINC000534650128 478165764 /nfs/dbraw/zinc/16/57/64/478165764.db2.gz PNHZFLGJBZJNTJ-HNNXBMFYSA-N 0 3 331.460 2.766 50 0 EFAAHN Cn1ccnc1C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000584886295 479270905 /nfs/dbraw/zinc/27/09/05/479270905.db2.gz IEUCZOLAWNBLDV-QGZVFWFLSA-N 0 3 326.444 2.767 50 0 EFAAHN Cc1cccc(-c2nc(CNC(=O)N3CC[C@H](N(C)C)C3)cs2)c1 ZINC000584886929 479271494 /nfs/dbraw/zinc/27/14/94/479271494.db2.gz VDGRMLUMLAHWIL-INIZCTEOSA-N 0 3 344.484 2.964 50 0 EFAAHN O=C(CCC(=O)N1CCCCCC1)N1CCN(CC2CCCC2)CC1 ZINC000584887054 479271682 /nfs/dbraw/zinc/27/16/82/479271682.db2.gz FSUDZJDJMJLAJV-UHFFFAOYSA-N 0 3 349.519 2.504 50 0 EFAAHN Cc1ccn(CC(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)n1 ZINC000584892284 479273311 /nfs/dbraw/zinc/27/33/11/479273311.db2.gz VMNDJYIKDMXZRV-IBGZPJMESA-N 0 3 340.471 2.925 50 0 EFAAHN CN(C)[C@@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000584900972 479276724 /nfs/dbraw/zinc/27/67/24/479276724.db2.gz GWRHZMYMYCOUFD-CQSZACIVSA-N 0 3 348.447 2.795 50 0 EFAAHN CCOc1ccc2nc(CN3CCC[C@@](C)(C(N)=O)C3)ccc2c1 ZINC000216474180 535443145 /nfs/dbraw/zinc/44/31/45/535443145.db2.gz AAHAVRYQQOYXDI-LJQANCHMSA-N 0 3 327.428 2.721 50 0 EFAAHN COc1ccc2cc(CN(C)C(=O)CNC[C@H]3CCCO3)ccc2c1 ZINC000263261627 537031987 /nfs/dbraw/zinc/03/19/87/537031987.db2.gz SSEIBOBHAGHYLD-LJQANCHMSA-N 0 3 342.439 2.575 50 0 EFAAHN Cc1nccn1CC(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670443406 547490585 /nfs/dbraw/zinc/49/05/85/547490585.db2.gz XWPULTNRYZRHSP-IBGZPJMESA-N 0 3 340.471 2.925 50 0 EFAAHN O=c1cc([C@@H]2CCC[N@@H+](CCCOc3ccc(F)cc3)C2)nc[n-]1 ZINC000670470628 547495651 /nfs/dbraw/zinc/49/56/51/547495651.db2.gz NRCQVLIAWZMFQI-CQSZACIVSA-N 0 3 331.391 2.970 50 0 EFAAHN O=c1cc([C@@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)nc[n-]1 ZINC000670470628 547495654 /nfs/dbraw/zinc/49/56/54/547495654.db2.gz NRCQVLIAWZMFQI-CQSZACIVSA-N 0 3 331.391 2.970 50 0 EFAAHN C[C@@H](NC[C@](C)(O)c1ccsc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685940649 550196858 /nfs/dbraw/zinc/19/68/58/550196858.db2.gz QPHPNOIAWWIUJD-WBMJQRKESA-N 0 3 340.489 2.991 50 0 EFAAHN CC(C)=CCN1CCCN(C(=O)Cc2cnc3c(C)cccn23)CC1 ZINC001772705238 1249288133 /nfs/dbraw/zinc/28/81/33/1249288133.db2.gz LYKDIIHNYQWBKE-UHFFFAOYSA-N 0 3 340.471 2.686 50 0 EFAAHN Cc1ccc(CN(C)C[C@]2(O)CCCN(CC3CCCCC3)C2=O)o1 ZINC000011817988 1264017821 /nfs/dbraw/zinc/01/78/21/1264017821.db2.gz DWEONMJEUZWJEV-HXUWFJFHSA-N 0 3 348.487 2.954 50 0 EFAAHN CCCOc1ccc(NC(=O)CN2CCCN(C)CC2)cc1Cl ZINC000822983438 1265204161 /nfs/dbraw/zinc/20/41/61/1265204161.db2.gz PUCQFGCFHOWRTL-UHFFFAOYSA-N 0 3 339.867 2.705 50 0 EFAAHN CCn1cc(C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)cn1 ZINC000823602198 1265398155 /nfs/dbraw/zinc/39/81/55/1265398155.db2.gz XBMMSHUZEXMAAR-CQSZACIVSA-N 0 3 332.473 2.607 50 0 EFAAHN COc1cccc(-n2cc(CNC3CSCCSC3)cn2)c1 ZINC000824792482 1266945488 /nfs/dbraw/zinc/94/54/88/1266945488.db2.gz HVRWPRAZKPCIQZ-UHFFFAOYSA-N 0 3 335.498 2.819 50 0 EFAAHN O=C(CN1C[C@@H]2CC[C@H]1C2)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000827836902 1267492970 /nfs/dbraw/zinc/49/29/70/1267492970.db2.gz SWQPGHIQUXEGIV-OCCSQVGLSA-N 0 3 346.862 2.749 50 0 EFAAHN CC(C)c1nccn1CCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000828161228 1267621392 /nfs/dbraw/zinc/62/13/92/1267621392.db2.gz OFFQLVFFBIZOEZ-UHFFFAOYSA-N 0 3 338.415 2.612 50 0 EFAAHN CCN1CCC[C@H]1CNC(=O)c1coc(COc2ccccc2F)n1 ZINC000012589174 1276558869 /nfs/dbraw/zinc/55/88/69/1276558869.db2.gz CKHLZUNRZDFRKH-ZDUSSCGKSA-N 0 3 347.390 2.607 50 0 EFAAHN N[C@H](CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccccc1 ZINC000952865791 1284909724 /nfs/dbraw/zinc/90/97/24/1284909724.db2.gz XMYXICJWPYGFPR-GOSISDBHSA-N 0 3 337.423 2.536 50 0 EFAAHN Cc1c(NC(=O)C[C@@H](N)c2ccccc2)cccc1C(=O)N(C)C ZINC000952962331 1284918802 /nfs/dbraw/zinc/91/88/02/1284918802.db2.gz DPUZABPZQVPILK-MRXNPFEDSA-N 0 3 325.412 2.725 50 0 EFAAHN CN(CC(=O)Nc1ccccc1CN1CCCC1)Cc1cccnc1 ZINC000952962694 1284919585 /nfs/dbraw/zinc/91/95/85/1284919585.db2.gz GUMAPYLGNXEIAW-UHFFFAOYSA-N 0 3 338.455 2.748 50 0 EFAAHN CCCCc1nc(CN[C@H]2CCCN(C(=O)c3ccco3)C2)c[nH]1 ZINC000952965992 1284926116 /nfs/dbraw/zinc/92/61/16/1284926116.db2.gz HNBMGSOTTAAHPP-AWEZNQCLSA-N 0 3 330.432 2.740 50 0 EFAAHN CCc1nccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000952990982 1284997994 /nfs/dbraw/zinc/99/79/94/1284997994.db2.gz YVZJKXWBNUBAKN-KRWDZBQOSA-N 0 3 328.435 2.932 50 0 EFAAHN Cn1c[n+](Cc2ccccc2)c2c1nc(Nc1ccccc1)[n-]c2=O ZINC000001233362 1306577871 /nfs/dbraw/zinc/57/78/71/1306577871.db2.gz VLYOCPPNYKLMQQ-UHFFFAOYSA-O 0 3 332.387 2.753 50 0 EFAAHN OCCNCc1cc2cc3c(cc2nc1OCc1cccnc1)CCC3 ZINC000020534841 1314682096 /nfs/dbraw/zinc/68/20/96/1314682096.db2.gz CEYRQKRPJUPSIX-UHFFFAOYSA-N 0 3 349.434 2.779 50 0 EFAAHN CCCN(Cc1ccccc1F)C(=O)CC[C@H](C)N1CCN(C)CC1 ZINC001506405265 1405752656 /nfs/dbraw/zinc/75/26/56/1405752656.db2.gz ADPFZADURSAEFT-KRWDZBQOSA-N 0 3 349.494 2.980 50 0 EFAAHN CC1=CC2(CCN(C[C@@H]3Cc4c(nc(C)nc4C)O3)CC2)OCC1 ZINC001704299021 1417900895 /nfs/dbraw/zinc/90/08/95/1417900895.db2.gz MXOXSRKBBIUCJV-INIZCTEOSA-N 0 3 329.444 2.598 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC001704309318 1417903507 /nfs/dbraw/zinc/90/35/07/1417903507.db2.gz QWLIRMUUHNRNKE-UHFFFAOYSA-N 0 3 334.851 2.884 50 0 EFAAHN CC[C@@H](C(=O)N(CCN(C)C)Cc1[nH]cnc1C)c1ccccc1 ZINC001704311819 1417904044 /nfs/dbraw/zinc/90/40/44/1417904044.db2.gz SNFCMITVLLRTOZ-QGZVFWFLSA-N 0 3 328.460 2.802 50 0 EFAAHN CCCOc1ccccc1C(=O)N(CCN(C)C)Cc1[nH]cnc1C ZINC001704324645 1417907253 /nfs/dbraw/zinc/90/72/53/1417907253.db2.gz CHGFBTIDIMBJIM-UHFFFAOYSA-N 0 3 344.459 2.711 50 0 EFAAHN O[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1Cc1cnccn1 ZINC001704325706 1417907267 /nfs/dbraw/zinc/90/72/67/1417907267.db2.gz PVOBDOLRZVDVIN-CZUORRHYSA-N 0 3 337.345 2.531 50 0 EFAAHN Cc1cc2cc(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)ccc2o1 ZINC001704337619 1417910450 /nfs/dbraw/zinc/91/04/50/1417910450.db2.gz AAMGFBXGHZDPRO-UYAOXDASSA-N 0 3 342.439 2.660 50 0 EFAAHN CN1CCC[C@]2(CO)CCN(Cc3cccc(Cl)c3F)C[C@@H]12 ZINC001704339917 1417911516 /nfs/dbraw/zinc/91/15/16/1417911516.db2.gz QFPWEUCLHNIDSJ-NVXWUHKLSA-N 0 3 326.843 2.758 50 0 EFAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000022591466 714850001 /nfs/dbraw/zinc/85/00/01/714850001.db2.gz ZTHWQKUIIGODDC-MRXNPFEDSA-N 0 3 334.460 2.784 50 0 EFAAHN Cc1ccnc(CNc2nc(CC3CC3)nc3c2CCN(C)CC3)c1 ZINC000096162064 717622551 /nfs/dbraw/zinc/62/25/51/717622551.db2.gz BYFZFEGKWXPYRQ-UHFFFAOYSA-N 0 3 337.471 2.775 50 0 EFAAHN O=C(c1cc(C(F)F)[nH]n1)N1CCCN(Cc2ccsc2)CC1 ZINC000981930697 1095654044 /nfs/dbraw/zinc/65/40/44/1095654044.db2.gz QFQXFIWFZGMZRP-UHFFFAOYSA-N 0 3 340.399 2.757 50 0 EFAAHN C[C@H](CN1CCCC1)OC(=O)COc1ccc(Br)cc1 ZINC000004723163 210260044 /nfs/dbraw/zinc/26/00/44/210260044.db2.gz NMFJUBUIQUYPCN-GFCCVEGCSA-N 0 3 342.233 2.855 50 0 EFAAHN CC1(C)Cc2cc(CN3CCC(O)(Cn4ccnc4)CC3)ccc2O1 ZINC000097679849 219046968 /nfs/dbraw/zinc/04/69/68/219046968.db2.gz RTKCKDLXPXEVFF-UHFFFAOYSA-N 0 3 341.455 2.624 50 0 EFAAHN CCn1ncc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c1C ZINC000097698879 219049919 /nfs/dbraw/zinc/04/99/19/219049919.db2.gz CSIBGBSDTZNVDM-GOSISDBHSA-N 0 3 340.471 2.821 50 0 EFAAHN Cc1cc(C)c2c(CN3CCC4(CC3)OCCO4)cc(=O)oc2c1 ZINC000054219989 214224846 /nfs/dbraw/zinc/22/48/46/214224846.db2.gz IFJZLNJTMWTALE-UHFFFAOYSA-N 0 3 329.396 2.749 50 0 biogenic,in-vitro EFAAHN CN1CCN([C@@H]2CCN(Cc3ccccc3-c3ccco3)C2)CC1 ZINC000097743632 219053538 /nfs/dbraw/zinc/05/35/38/219053538.db2.gz BXWUUHZFBQJYGY-GOSISDBHSA-N 0 3 325.456 2.768 50 0 EFAAHN CC[C@@H](CNCc1cnc(-c2cccc(C)c2)nc1)N1CCOCC1 ZINC000055053038 214267396 /nfs/dbraw/zinc/26/73/96/214267396.db2.gz UUYFQOHFDLBMCG-IBGZPJMESA-N 0 3 340.471 2.652 50 0 EFAAHN CCNC(=O)c1c(NC(=O)[C@@H](N)CC(C)C)sc2c1CCCC2 ZINC000055052713 214267512 /nfs/dbraw/zinc/26/75/12/214267512.db2.gz UCTZPWNLTAQBFH-LBPRGKRZSA-N 0 3 337.489 2.689 50 0 EFAAHN COc1cccc2c1OCC(CN(C)[C@@H](C)Cc1cnccn1)=C2 ZINC000097743437 219053823 /nfs/dbraw/zinc/05/38/23/219053823.db2.gz BAQIAGDOVQSOCK-AWEZNQCLSA-N 0 3 325.412 2.824 50 0 EFAAHN Cc1cc(NCCN2CCC(O)CC2)nc2cc3c(cc12)CCC3 ZINC000055152829 214279443 /nfs/dbraw/zinc/27/94/43/214279443.db2.gz GXGFSPDKQFUTIF-UHFFFAOYSA-N 0 3 325.456 2.901 50 0 EFAAHN CNc1ncccc1C(=O)N(CCN(C)C)Cc1ccccc1C ZINC000055168112 214283659 /nfs/dbraw/zinc/28/36/59/214283659.db2.gz IITXRSLFWDBJFV-UHFFFAOYSA-N 0 3 326.444 2.636 50 0 EFAAHN COCc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2C)o1 ZINC000055198439 214287083 /nfs/dbraw/zinc/28/70/83/214287083.db2.gz NLCJUBGOURREIV-UHFFFAOYSA-N 0 3 330.428 2.938 50 0 EFAAHN CCN(CC1CCOCC1)C(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055227752 214292734 /nfs/dbraw/zinc/29/27/34/214292734.db2.gz QFVKHJUREXNNCX-KRWDZBQOSA-N 0 3 334.460 2.767 50 0 EFAAHN COc1ccccc1C(=O)Nc1cccc(NC(=O)[C@H](N)C(C)C)c1 ZINC000055327450 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ZINC000097785571 219057382 /nfs/dbraw/zinc/05/73/82/219057382.db2.gz BSMLZUVZJAKUMW-UHFFFAOYSA-N 0 3 344.434 2.512 50 0 EFAAHN Cc1cc(C)n(C[C@H](C)Nc2ncnc3sc4c(c32)CCNC4)n1 ZINC000065535599 214950917 /nfs/dbraw/zinc/95/09/17/214950917.db2.gz UNPVXMANQADAGE-NSHDSACASA-N 0 3 342.472 2.651 50 0 EFAAHN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNCCc1ccccc1 ZINC000004108280 210121711 /nfs/dbraw/zinc/12/17/11/210121711.db2.gz CQWMYAPQINKJRK-HNNXBMFYSA-N 0 3 337.423 2.583 50 0 EFAAHN COc1cccc(-c2cc3c(N4CCCN(C)CC4)nccn3n2)c1 ZINC000067284933 215130457 /nfs/dbraw/zinc/13/04/57/215130457.db2.gz AGGAGDYVIJEZOH-UHFFFAOYSA-N 0 3 337.427 2.547 50 0 EFAAHN CCCC(=O)NC[C@H]1CCCN(Cc2nc(C)n3ccccc23)C1 ZINC000067491052 215154604 /nfs/dbraw/zinc/15/46/04/215154604.db2.gz VLASARCPVPXRNS-MRXNPFEDSA-N 0 3 328.460 2.771 50 0 EFAAHN CC(=O)c1ccc(OCc2nc(CC3CCN(C)CC3)no2)cc1 ZINC000067491150 215155121 /nfs/dbraw/zinc/15/51/21/215155121.db2.gz RJHVVYVHJQPZEK-UHFFFAOYSA-N 0 3 329.400 2.736 50 0 EFAAHN O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CCN(Cc2ccco2)C1 ZINC000067603460 215167164 /nfs/dbraw/zinc/16/71/64/215167164.db2.gz HMZYHYXQLWIKQV-OAHLLOKOSA-N 0 3 337.423 2.942 50 0 EFAAHN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 ZINC000067642155 215172210 /nfs/dbraw/zinc/17/22/10/215172210.db2.gz FHKBRDWIFLSCEW-HNNXBMFYSA-N 0 3 326.444 2.828 50 0 EFAAHN O=C(NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1)c1cncs1 ZINC000067673349 215179204 /nfs/dbraw/zinc/17/92/04/215179204.db2.gz PCYUCPZLKBXWLQ-CYBMUJFWSA-N 0 3 340.452 2.876 50 0 EFAAHN c1cn(C[C@@H]2CCCN(Cc3cnc(-c4ccccn4)nc3)C2)cn1 ZINC000067694580 215187965 /nfs/dbraw/zinc/18/79/65/215187965.db2.gz CRKPKHHQLNABAX-MRXNPFEDSA-N 0 3 334.427 2.647 50 0 EFAAHN CC(C)n1ccc(CN2CC[C@@H](CNC(=O)c3ccncc3)C2)c1 ZINC000067725519 215195638 /nfs/dbraw/zinc/19/56/38/215195638.db2.gz TWANTXJGFNMWGL-INIZCTEOSA-N 0 3 326.444 2.716 50 0 EFAAHN CC(C)(CN1CCC([C@@H](O)c2cccs2)CC1)N1CCOCC1 ZINC000067739520 215199735 /nfs/dbraw/zinc/19/97/35/215199735.db2.gz 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/nfs/dbraw/zinc/24/04/30/215240430.db2.gz LEFVRUGYUUBIOE-UHFFFAOYSA-N 0 3 349.438 2.742 50 0 EFAAHN NC(=O)CCCN1CC=C(c2cnn(CC3CCCCC3)c2)CC1 ZINC000067919876 215250387 /nfs/dbraw/zinc/25/03/87/215250387.db2.gz KYXGDEAUTFAEHD-UHFFFAOYSA-N 0 3 330.476 2.818 50 0 EFAAHN Cc1ccc(CN2CCC=C(CCNC(=O)N3CCOCC3)C2)cc1 ZINC000067934523 215252452 /nfs/dbraw/zinc/25/24/52/215252452.db2.gz OCBHUXBBORSTTL-UHFFFAOYSA-N 0 3 343.471 2.559 50 0 EFAAHN Cc1ncc(CN2CC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)[nH]1 ZINC000067956131 215258440 /nfs/dbraw/zinc/25/84/40/215258440.db2.gz RYWKLQOOASUWGC-OAHLLOKOSA-N 0 3 327.432 2.670 50 0 EFAAHN Cc1cnc(C(=O)NC[C@H]2CCN(C/C=C/c3ccccc3)C2)cn1 ZINC000067983350 215267907 /nfs/dbraw/zinc/26/79/07/215267907.db2.gz DFZFEXMJFJRUKI-KRZKXXONSA-N 0 3 336.439 2.550 50 0 EFAAHN CC(C)N1CCN(Cc2ccc3cccc(F)c3n2)C[C@H]1CCO ZINC000104380571 219382109 /nfs/dbraw/zinc/38/21/09/219382109.db2.gz JRUHYGZWPFSMJR-QGZVFWFLSA-N 0 3 331.435 2.651 50 0 EFAAHN CCOc1ccccc1CN1CCN(C2CCCC2)C[C@H]1CCO ZINC000104555079 219394155 /nfs/dbraw/zinc/39/41/55/219394155.db2.gz JJUAWDOMAHLLAB-LJQANCHMSA-N 0 3 332.488 2.897 50 0 EFAAHN COc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc(OC)c1 ZINC000039532850 213240047 /nfs/dbraw/zinc/24/00/47/213240047.db2.gz FJLOIPXGXVXKIV-GOSISDBHSA-N 0 3 348.487 2.515 50 0 EFAAHN COc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)c(F)c1 ZINC000039551064 213239578 /nfs/dbraw/zinc/23/95/78/213239578.db2.gz GFNDLQUQTWTREO-MRXNPFEDSA-N 0 3 338.467 2.749 50 0 EFAAHN COc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1OC ZINC000039455570 213238009 /nfs/dbraw/zinc/23/80/09/213238009.db2.gz DRZNODKILSSITQ-GOSISDBHSA-N 0 3 348.487 2.515 50 0 EFAAHN CCCn1ncc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1C ZINC000039442961 213236812 /nfs/dbraw/zinc/23/68/12/213236812.db2.gz XAMXCWJUWGOWFQ-GOSISDBHSA-N 0 3 336.524 2.516 50 0 EFAAHN CCCCc1nc(CN2CCN(CCC(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039362351 213235054 /nfs/dbraw/zinc/23/50/54/213235054.db2.gz INDWRPZBPSBWSA-GOSISDBHSA-N 0 3 336.524 2.667 50 0 EFAAHN CC(C)(C)CN1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000039371573 213234138 /nfs/dbraw/zinc/23/41/38/213234138.db2.gz ISGXGPPXSBZOEK-OAHLLOKOSA-N 0 3 326.431 2.880 50 0 EFAAHN O=C(COc1ccc(Cl)cc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000036610926 213100667 /nfs/dbraw/zinc/10/06/67/213100667.db2.gz QNNQRLQYQAXZRW-GFCCVEGCSA-N 0 3 329.227 2.679 50 0 EFAAHN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NCCN(C)C ZINC000036107984 213069212 /nfs/dbraw/zinc/06/92/12/213069212.db2.gz JRNRWXXOSUMAGV-UHFFFAOYSA-N 0 3 333.457 2.630 50 0 EFAAHN CN(C)CCNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000035248999 213015396 /nfs/dbraw/zinc/01/53/96/213015396.db2.gz DGAHEOGGOGLLGJ-UHFFFAOYSA-N 0 3 334.423 2.831 50 0 EFAAHN CN1C[C@@]2(CCCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)OC1=O ZINC000072123930 216016525 /nfs/dbraw/zinc/01/65/25/216016525.db2.gz SAVCTSKEMOAYGQ-KRWDZBQOSA-N 0 3 346.456 2.945 50 0 EFAAHN c1[nH]c2ccccc2c1-c1nc2c(c(NCCN3CCCC3)n1)CNC2 ZINC000072145945 216032064 /nfs/dbraw/zinc/03/20/64/216032064.db2.gz AGUKHNOKDAEECE-UHFFFAOYSA-N 0 3 348.454 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2.668 50 0 EFAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1CCCn1ccnc1 ZINC000012151058 211307518 /nfs/dbraw/zinc/30/75/18/211307518.db2.gz AAYPZJSCPUJAES-QGZVFWFLSA-N 0 3 344.434 2.583 50 0 EFAAHN CN(Cc1ccon1)C(=O)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000012055962 211283926 /nfs/dbraw/zinc/28/39/26/211283926.db2.gz NZXGBXBICYJMAU-UHFFFAOYSA-N 0 3 339.439 2.657 50 0 EFAAHN Cc1ccc2[nH]c(CNCc3ccc(-n4cncn4)cc3)cc(=O)c2c1 ZINC000091440386 218005743 /nfs/dbraw/zinc/00/57/43/218005743.db2.gz JQHOCAPEXZWWAO-UHFFFAOYSA-N 0 3 345.406 2.707 50 0 EFAAHN COc1ccc(F)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000091468929 218011034 /nfs/dbraw/zinc/01/10/34/218011034.db2.gz NKVYYBFBZFFPQB-GDBMZVCRSA-N 0 3 332.419 2.781 50 0 EFAAHN O=C(/C=C/c1ccncc1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011821669 211251921 /nfs/dbraw/zinc/25/19/21/211251921.db2.gz JTDSVCFOQUOBTH-IBDYFIJFSA-N 0 3 335.451 2.918 50 0 EFAAHN O=C(Cc1ccccn1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091624825 218033420 /nfs/dbraw/zinc/03/34/20/218033420.db2.gz VHLPHUOJHFPDCG-AZUAARDMSA-N 0 3 335.451 2.747 50 0 EFAAHN O=c1cc(C[NH2+]CCCNc2cccnc2)[n-]c2c(F)cccc12 ZINC000091551633 218021595 /nfs/dbraw/zinc/02/15/95/218021595.db2.gz BSDRDTSKGMGNNC-UHFFFAOYSA-N 0 3 326.375 2.654 50 0 EFAAHN CN(C)c1ncccc1CNC(=O)C1(N2CCCCC2)CCCCC1 ZINC000011838381 211254673 /nfs/dbraw/zinc/25/46/73/211254673.db2.gz UXXOTTBFTSNOLG-UHFFFAOYSA-N 0 3 344.503 2.953 50 0 EFAAHN COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000091691627 218047786 /nfs/dbraw/zinc/04/77/86/218047786.db2.gz KSWAWCLGGIVDBA-HOTGVXAUSA-N 0 3 348.443 2.575 50 0 EFAAHN O=c1cc(CNC[C@H](O)c2ccc(O)cc2)[nH]c2c(Cl)cccc12 ZINC000091644812 218037992 /nfs/dbraw/zinc/03/79/92/218037992.db2.gz HHSRCJBOUYJRIL-KRWDZBQOSA-N 0 3 344.798 2.710 50 0 EFAAHN OCc1ccc(C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000091645498 218039096 /nfs/dbraw/zinc/03/90/96/218039096.db2.gz PONJZEBJUQTEKM-SFHVURJKSA-N 0 3 325.408 2.972 50 0 EFAAHN CSc1ccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091656769 218041164 /nfs/dbraw/zinc/04/11/64/218041164.db2.gz PNOQXFVNSPJTTG-LJQANCHMSA-N 0 3 347.528 2.537 50 0 EFAAHN CCCn1cnnc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000091664367 218043198 /nfs/dbraw/zinc/04/31/98/218043198.db2.gz VTXKVQLUHZBFMW-UHFFFAOYSA-N 0 3 341.459 2.604 50 0 EFAAHN CN1CCCCC[C@H]1C(=O)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000091756837 218060061 /nfs/dbraw/zinc/06/00/61/218060061.db2.gz TUBPBBHKSUAOEE-IBGZPJMESA-N 0 3 347.478 2.734 50 0 EFAAHN CCCn1ccnc1-c1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000091779642 218065379 /nfs/dbraw/zinc/06/53/79/218065379.db2.gz JUHCBYFCJSDNNM-QGZVFWFLSA-N 0 3 336.443 2.999 50 0 EFAAHN COC[C@]1(O)CCN(CC2=Cc3cccc(OC)c3OC2)CC1(C)C ZINC000091848977 218077617 /nfs/dbraw/zinc/07/76/17/218077617.db2.gz MUGXIIDZXWISOA-HXUWFJFHSA-N 0 3 347.455 2.580 50 0 EFAAHN CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C(=O)C3(N)CC3)C2)cc1 ZINC000091872159 218081412 /nfs/dbraw/zinc/08/14/12/218081412.db2.gz BKPKBLUSIGFRHQ-HNNXBMFYSA-N 0 3 328.456 2.897 50 0 EFAAHN CCn1c(Cn2cccn2)nnc1C1CCN(CC=C(C)C)CC1 ZINC000091876960 218083310 /nfs/dbraw/zinc/08/33/10/218083310.db2.gz OULOADUTSWMXCG-UHFFFAOYSA-N 0 3 328.464 2.688 50 0 EFAAHN CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)[nH]1 ZINC000091877000 218083931 /nfs/dbraw/zinc/08/39/31/218083931.db2.gz WJMHQQLCUXBCMA-NVXWUHKLSA-N 0 3 340.475 2.643 50 0 EFAAHN CCCn1ncc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C ZINC000091988480 218099330 /nfs/dbraw/zinc/09/93/30/218099330.db2.gz BJKNHQATHBTYKZ-BEFAXECRSA-N 0 3 335.492 2.601 50 0 EFAAHN O=c1cc(C[NH2+]CC2(Cn3ccnc3)CC2)[n-]c2c(F)cccc12 ZINC000092004564 218103150 /nfs/dbraw/zinc/10/31/50/218103150.db2.gz VXIAUPSHEBNQEY-UHFFFAOYSA-N 0 3 326.375 2.846 50 0 EFAAHN Cc1cc(S(=O)(=O)N2C[C@@H](C(C)C)[C@H](N(C)C)C2)c(C)s1 ZINC000092078154 218115781 /nfs/dbraw/zinc/11/57/81/218115781.db2.gz SMMBJLYTJCOLFP-UONOGXRCSA-N 0 3 330.519 2.572 50 0 EFAAHN COc1c[nH]c(CN2C[C@H]3CC[C@H](CN3CC=C(C)C)C2)cc1=O ZINC000092078486 218117407 /nfs/dbraw/zinc/11/74/07/218117407.db2.gz BMYYVEVVRMPVOF-DOTOQJQBSA-N 0 3 331.460 2.658 50 0 EFAAHN CC1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000010541035 211180535 /nfs/dbraw/zinc/18/05/35/211180535.db2.gz OLCAZESLAWDYLF-UHFFFAOYSA-N 0 3 344.908 2.881 50 0 EFAAHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000010544125 211180640 /nfs/dbraw/zinc/18/06/40/211180640.db2.gz FAGMJSGZQOPNBM-GJZGRUSLSA-N 0 3 342.480 2.613 50 0 EFAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)cc1 ZINC000010544212 211179978 /nfs/dbraw/zinc/17/99/78/211179978.db2.gz ACUDMHLWTRHWLL-OAHLLOKOSA-N 0 3 340.489 2.628 50 0 EFAAHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000010544030 211179686 /nfs/dbraw/zinc/17/96/86/211179686.db2.gz IGWBHYUUBZAHBD-ZIAGYGMSSA-N 0 3 344.908 2.986 50 0 EFAAHN CCOc1c(CNC(C)(C)CO)cc(Br)cc1OC ZINC000010473845 211176299 /nfs/dbraw/zinc/17/62/99/211176299.db2.gz SUYHUUZNVUGZEU-UHFFFAOYSA-N 0 3 332.238 2.717 50 0 EFAAHN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCN(C)C)cc1 ZINC000010312663 211162656 /nfs/dbraw/zinc/16/26/56/211162656.db2.gz FRKXFYHYYBAAPO-UHFFFAOYSA-N 0 3 325.412 2.539 50 0 EFAAHN CCOC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000010003194 211138790 /nfs/dbraw/zinc/13/87/90/211138790.db2.gz CDGBWVXPKPAPNM-AWEZNQCLSA-N 0 3 331.391 2.991 50 0 EFAAHN COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1 ZINC000009249992 211058361 /nfs/dbraw/zinc/05/83/61/211058361.db2.gz XUOONNHPFFRJRK-UHFFFAOYSA-N 0 3 341.440 2.553 50 0 EFAAHN Cc1ccc(C)c(Nc2nc(NCCN(C)C)nc3nccnc32)c1 ZINC000009074976 211039518 /nfs/dbraw/zinc/03/95/18/211039518.db2.gz WCYKVTBSERSYSW-UHFFFAOYSA-N 0 3 337.431 2.754 50 0 EFAAHN Cc1ccc(Nc2nc(NCCN(C)C)nc3nccnc32)c(C)c1 ZINC000009074783 211039389 /nfs/dbraw/zinc/03/93/89/211039389.db2.gz YMYJSPCLSNTCSB-UHFFFAOYSA-N 0 3 337.431 2.754 50 0 EFAAHN CN1CCCCC[C@@H]1C(=O)N(C/C=C/c1ccccc1)CCCO ZINC000095374915 218307534 /nfs/dbraw/zinc/30/75/34/218307534.db2.gz AHZSZNIZWSEOEE-YRVHBARZSA-N 0 3 330.472 2.785 50 0 EFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095376374 218308566 /nfs/dbraw/zinc/30/85/66/218308566.db2.gz IZMLNABSLIBEPL-INIZCTEOSA-N 0 3 347.507 2.666 50 0 EFAAHN CN1CCCCC[C@H]1C(=O)N(CCCO)Cc1ccc(Cl)cc1 ZINC000095369188 218301380 /nfs/dbraw/zinc/30/13/80/218301380.db2.gz MJDCHQXLSBSFIA-KRWDZBQOSA-N 0 3 338.879 2.925 50 0 EFAAHN O=C(C1CCCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095376151 218309382 /nfs/dbraw/zinc/30/93/82/218309382.db2.gz HBYDSSHDOLENIT-XUVXKRRUSA-N 0 3 340.467 2.971 50 0 EFAAHN CCc1nc(N)nc(NC[C@H]2CCCN(Cc3ccco3)C2)c1C ZINC000095377931 218309831 /nfs/dbraw/zinc/30/98/31/218309831.db2.gz AXUSTZQPSGRFFT-CQSZACIVSA-N 0 3 329.448 2.847 50 0 EFAAHN O=C(NCc1cn2cccnc2n1)c1ccc(CN2CCCCC2)cc1 ZINC000095379270 218311250 /nfs/dbraw/zinc/31/12/50/218311250.db2.gz OUEQHGALTKFOGZ-UHFFFAOYSA-N 0 3 349.438 2.645 50 0 EFAAHN Cc1ccc2cccc(OCCNC(=O)[C@H]3CCCCCN3C)c2n1 ZINC000095392033 218323614 /nfs/dbraw/zinc/32/36/14/218323614.db2.gz FOASFFGIJKVMPI-QGZVFWFLSA-N 0 3 341.455 2.913 50 0 EFAAHN CN(C)[C@@H](C(=O)NCc1cc(C(C)(C)C)[nH]n1)c1ccc(F)cc1 ZINC000095387465 218319514 /nfs/dbraw/zinc/31/95/14/218319514.db2.gz HWKWHNAQOKHHMU-MRXNPFEDSA-N 0 3 332.423 2.765 50 0 EFAAHN Cc1ccccc1CN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095390436 218321412 /nfs/dbraw/zinc/32/14/12/218321412.db2.gz RUZDJZLQKCVMJX-TZIWHRDSSA-N 0 3 342.483 2.580 50 0 EFAAHN Cn1nnnc1SCCCNCc1ccc(-c2ccccc2)o1 ZINC000004993846 210353273 /nfs/dbraw/zinc/35/32/73/210353273.db2.gz NHGXAUDKWSDGGK-UHFFFAOYSA-N 0 3 329.429 2.742 50 0 EFAAHN COc1ccc(NC(=S)NC2CCN(C(C)C)CC2)c(OC)c1 ZINC000004999152 210355744 /nfs/dbraw/zinc/35/57/44/210355744.db2.gz ZCLDVABMGYLPIQ-UHFFFAOYSA-N 0 3 337.489 2.863 50 0 EFAAHN Cc1ccc([C@H](NC(=O)C2(O)CCN(C)CC2)c2cccs2)cc1 ZINC000097521946 219032267 /nfs/dbraw/zinc/03/22/67/219032267.db2.gz KZWPYWMDOIJJPX-KRWDZBQOSA-N 0 3 344.480 2.719 50 0 EFAAHN Cc1ccc([C@H](C)CCN2CCC(c3nnc(CO)n3C)CC2)o1 ZINC000097515090 219032327 /nfs/dbraw/zinc/03/23/27/219032327.db2.gz GXJFBJGVCOWQNG-CYBMUJFWSA-N 0 3 332.448 2.582 50 0 EFAAHN CN1CCN([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000097601020 219039154 /nfs/dbraw/zinc/03/91/54/219039154.db2.gz PDQNVGSNGUSHDI-MRXNPFEDSA-N 0 3 327.394 2.527 50 0 EFAAHN Cn1c(CO)nnc1[C@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000097604120 219040102 /nfs/dbraw/zinc/04/01/02/219040102.db2.gz KCRTUARQXMTBCI-AWEZNQCLSA-N 0 3 342.468 2.902 50 0 EFAAHN Cc1ccc(-c2noc(CN(C)CCCc3nccn3C)n2)cc1 ZINC000299783437 258091298 /nfs/dbraw/zinc/09/12/98/258091298.db2.gz ZIMHIEYPEOGAPP-UHFFFAOYSA-N 0 3 325.416 2.843 50 0 EFAAHN Fc1ccc(N2CCN(Cc3ccc4c(c3)CNCCO4)CC2)cc1 ZINC000299789533 258095652 /nfs/dbraw/zinc/09/56/52/258095652.db2.gz WWTNYVVIAHKEON-UHFFFAOYSA-N 0 3 341.430 2.630 50 0 EFAAHN C[C@@H]1Cc2cc(C(=O)N3CCC(N4CCSCC4)CC3)ccc2O1 ZINC000299790865 258096615 /nfs/dbraw/zinc/09/66/15/258096615.db2.gz CQSFUOSFCRTNIE-CQSZACIVSA-N 0 3 346.496 2.663 50 0 EFAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1c[nH]c(=O)cn1 ZINC000299792950 258098125 /nfs/dbraw/zinc/09/81/25/258098125.db2.gz GKZSPOQPYKQLBU-QGZVFWFLSA-N 0 3 340.427 2.529 50 0 EFAAHN CCn1cc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)cn1 ZINC000299797402 258101934 /nfs/dbraw/zinc/10/19/34/258101934.db2.gz NXDXHMIOTOFREL-UHFFFAOYSA-N 0 3 326.444 2.736 50 0 EFAAHN Cc1ccc(CN2CCC(CNC(=O)CCc3cccnc3)CC2)o1 ZINC000299799141 258103177 /nfs/dbraw/zinc/10/31/77/258103177.db2.gz QSTRLNNEEYEZDT-UHFFFAOYSA-N 0 3 341.455 2.944 50 0 EFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccnn1C1CCCCC1 ZINC000299800092 258103502 /nfs/dbraw/zinc/10/35/02/258103502.db2.gz UXUZNQJMDHOYPK-HOTGVXAUSA-N 0 3 349.479 2.617 50 0 EFAAHN CCCCc1ncc(CN2CCN(Cc3ccccc3CO)CC2)[nH]1 ZINC000055061084 258061059 /nfs/dbraw/zinc/06/10/59/258061059.db2.gz XQIWKWFXQIFPDU-UHFFFAOYSA-N 0 3 342.487 2.562 50 0 EFAAHN COc1ccc(C)cc1NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299758725 258075860 /nfs/dbraw/zinc/07/58/60/258075860.db2.gz LHUPGJICXFNTPY-INIZCTEOSA-N 0 3 347.459 2.769 50 0 EFAAHN CO[C@]12CCN(Cc3nc4ccc(C)c(C)c4[nH]3)[C@H]1C[C@H](O)CC2 ZINC000299762419 258079515 /nfs/dbraw/zinc/07/95/15/258079515.db2.gz WBDFSPZSXHHFSB-SIXWZSSISA-N 0 3 329.444 2.684 50 0 EFAAHN CCn1ccc2cc(CN3CC[C@H]4OCc5cnnn5[C@H]4C3)ccc21 ZINC000299764920 258080000 /nfs/dbraw/zinc/08/00/00/258080000.db2.gz WOLMOMCIWZDOQG-RBUKOAKNSA-N 0 3 337.427 2.599 50 0 EFAAHN CN1CCN(CC[C@H]2CCCCN2C(=S)Nc2ccccc2)CC1 ZINC000022935442 277106775 /nfs/dbraw/zinc/10/67/75/277106775.db2.gz RHIRKHKXAMLAIB-GOSISDBHSA-N 0 3 346.544 2.875 50 0 EFAAHN O=C(C(C(=O)C(F)(F)F)[C@H]1NCCc2ccccc21)C(F)(F)F ZINC000100333864 279732352 /nfs/dbraw/zinc/73/23/52/279732352.db2.gz ZSEUWKINLLCNHM-JTQLQIEISA-N 0 3 339.235 2.752 50 0 EFAAHN CC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000220638199 288378118 /nfs/dbraw/zinc/37/81/18/288378118.db2.gz BNYOLVLGAZUTAD-YDZRNGNQSA-N 0 3 342.483 2.580 50 0 EFAAHN C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 ZINC000035080238 290026897 /nfs/dbraw/zinc/02/68/97/290026897.db2.gz HGOOISFRTZCVFQ-USXIJHARSA-N 0 3 334.460 2.955 50 0 EFAAHN Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCC(C)CC3)ccc12 ZINC000001522276 301068592 /nfs/dbraw/zinc/06/85/92/301068592.db2.gz 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/nfs/dbraw/zinc/28/75/93/473287593.db2.gz OTWYDNCCMOKVKS-UHFFFAOYSA-N 0 3 340.475 2.636 50 0 EFAAHN COc1nccnc1N1C[C@@H]2CCN(Cc3ccc(C)s3)[C@@H]2C1 ZINC000082096856 473287756 /nfs/dbraw/zinc/28/77/56/473287756.db2.gz FDSPQPOHNIBEAC-DZGCQCFKSA-N 0 3 330.457 2.566 50 0 EFAAHN CC(C)Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)n(C)n1 ZINC000082096676 473288015 /nfs/dbraw/zinc/28/80/15/473288015.db2.gz PPRUZLPHYUSDTF-UHFFFAOYSA-N 0 3 334.508 2.955 50 0 EFAAHN COc1c(C)cnc(CN(C)[C@@H]2CCOC3(CCOCC3)C2)c1C ZINC000082114988 473290486 /nfs/dbraw/zinc/29/04/86/473290486.db2.gz VSRZJQRWYCKCNC-MRXNPFEDSA-N 0 3 334.460 2.867 50 0 EFAAHN O=c1[n-]c(NCc2nc(-c3ccccc3)cs2)nc2c1CC[NH2+]C2 ZINC000082120120 473291964 /nfs/dbraw/zinc/29/19/64/473291964.db2.gz ORYZSYNEESOMMS-UHFFFAOYSA-N 0 3 339.424 2.564 50 0 EFAAHN CC[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CCN1C(C)C ZINC000082120183 473293117 /nfs/dbraw/zinc/29/31/17/473293117.db2.gz HNGAWGBHOCNLFR-ZDUSSCGKSA-N 0 3 328.378 2.978 50 0 EFAAHN Cc1ccc2c(c1)c(CN[C@@H]1CCOC3(CCOCC3)C1)nn2C ZINC000082137609 473294155 /nfs/dbraw/zinc/29/41/55/473294155.db2.gz BCBNKGXPHFZZDZ-OAHLLOKOSA-N 0 3 329.444 2.700 50 0 EFAAHN Cc1cc(F)ccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082147025 473295436 /nfs/dbraw/zinc/29/54/36/473295436.db2.gz KJMHWQNYNZOAEN-FQEVSTJZSA-N 0 3 348.462 2.721 50 0 EFAAHN Cc1cc(C)c(NC(=O)NCCN2CCCC[C@H]2CO)c(Cl)c1 ZINC000096133770 473311553 /nfs/dbraw/zinc/31/15/53/473311553.db2.gz OUJDVGNJYWDMCY-AWEZNQCLSA-N 0 3 339.867 2.925 50 0 EFAAHN Cc1nc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)cs1 ZINC000096150481 473315227 /nfs/dbraw/zinc/31/52/27/473315227.db2.gz RPLOGVQSXOWENG-OAHLLOKOSA-N 0 3 329.469 2.979 50 0 EFAAHN CCCc1cc(N2CCC(NCc3[nH]cnc3C)CC2)nc(C)n1 ZINC000096163848 473321510 /nfs/dbraw/zinc/32/15/10/473321510.db2.gz ZTHWSUYNNXXCBK-UHFFFAOYSA-N 0 3 328.464 2.528 50 0 EFAAHN CN1CCC(C(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 ZINC000000001845 471317963 /nfs/dbraw/zinc/31/79/63/471317963.db2.gz HPKYRXAEGNUARA-UHFFFAOYSA-N 0 3 336.395 2.654 50 0 in-man EFAAHN O=C1C[C@@H](NCCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000000100485 471322869 /nfs/dbraw/zinc/32/28/69/471322869.db2.gz ZRLKKUJPUWYEKS-MRXNPFEDSA-N 0 3 346.789 2.943 50 0 EFAAHN COc1ccc(C(=O)c2c3c(sc2NC(C)=O)CNCC3)cc1 ZINC000000156239 471328909 /nfs/dbraw/zinc/32/89/09/471328909.db2.gz MTOFIUOMXAMWSJ-UHFFFAOYSA-N 0 3 330.409 2.592 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000000178154 471331639 /nfs/dbraw/zinc/33/16/39/471331639.db2.gz XVILRDKHULNENT-MRXNPFEDSA-N 0 3 332.444 2.907 50 0 EFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000000240430 471338600 /nfs/dbraw/zinc/33/86/00/471338600.db2.gz LFUNNQKKBSPAJW-HNNXBMFYSA-N 0 3 334.460 2.784 50 0 EFAAHN CC(C)(C)[C@@H](O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N ZINC000000274295 471342130 /nfs/dbraw/zinc/34/21/30/471342130.db2.gz MWCSFYNDOUZTLZ-SFHVURJKSA-N 0 3 344.503 2.815 50 0 EFAAHN CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N2CCCCC2)[C@@H]1O ZINC000000293716 471344128 /nfs/dbraw/zinc/34/41/28/471344128.db2.gz HZFAZVKVQKOGJZ-AEFFLSMTSA-N 0 3 329.396 2.852 50 0 biogenic EFAAHN COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)ccc1O ZINC000000819210 471377706 /nfs/dbraw/zinc/37/77/06/471377706.db2.gz FCFZXZIZPAIHPM-UHFFFAOYSA-N 0 3 332.444 2.672 50 0 EFAAHN C[C@H]1CCCc2sc3nc(NCCN(C)C)n4ncnc4c3c21 ZINC000002217095 471404040 /nfs/dbraw/zinc/40/40/40/471404040.db2.gz MIJORAAKPPVWME-JTQLQIEISA-N 0 3 330.461 2.752 50 0 EFAAHN O=C(COc1ccccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000003209347 471436638 /nfs/dbraw/zinc/43/66/38/471436638.db2.gz LDXFMFNFVSUJAQ-UHFFFAOYSA-N 0 3 342.414 2.985 50 0 EFAAHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000003362732 471443720 /nfs/dbraw/zinc/44/37/20/471443720.db2.gz NQEFDYMTXFKCNP-UHFFFAOYSA-N 0 3 339.288 2.860 50 0 EFAAHN c1ccc(N2CCN(C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000004109112 471459869 /nfs/dbraw/zinc/45/98/69/471459869.db2.gz WCYKXQBBALYJKH-UHFFFAOYSA-N 0 3 336.483 2.868 50 0 EFAAHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000004724981 471472024 /nfs/dbraw/zinc/47/20/24/471472024.db2.gz BONQYLULHXAPGO-UHFFFAOYSA-N 0 3 338.451 2.998 50 0 EFAAHN CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1N1CCCCC1 ZINC000004958064 471480249 /nfs/dbraw/zinc/48/02/49/471480249.db2.gz JQILUMBUNLQQNH-ZWKOTPCHSA-N 0 3 330.453 2.971 50 0 EFAAHN COc1ccccc1-c1cnn2c1nc(C)cc2NCCN(C)C ZINC000005348311 471501399 /nfs/dbraw/zinc/50/13/99/471501399.db2.gz SSJIQFCKANTYGG-UHFFFAOYSA-N 0 3 325.416 2.687 50 0 EFAAHN Cc1cccc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000012447905 471776466 /nfs/dbraw/zinc/77/64/66/471776466.db2.gz FLEBUUUFBZTFEM-IBGZPJMESA-N 0 3 345.487 2.677 50 0 EFAAHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012702617 471790439 /nfs/dbraw/zinc/79/04/39/471790439.db2.gz BGSMDKVTZZERLF-LJQANCHMSA-N 0 3 336.451 2.657 50 0 EFAAHN O=C(Cc1c(O)nc2[nH]c3ccccc3n21)Nc1cccc(Cl)c1 ZINC000013692498 471838820 /nfs/dbraw/zinc/83/88/20/471838820.db2.gz DPMLJYQRQUFLGL-CQSZACIVSA-N 0 3 340.770 2.866 50 0 EFAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(Cl)c1 ZINC000013692498 471838828 /nfs/dbraw/zinc/83/88/28/471838828.db2.gz DPMLJYQRQUFLGL-CQSZACIVSA-N 0 3 340.770 2.866 50 0 EFAAHN O=C(Cc1c(O)nc2[nH]c3ccccc3n21)Nc1cccc(Cl)c1 ZINC000013692499 471839036 /nfs/dbraw/zinc/83/90/36/471839036.db2.gz DPMLJYQRQUFLGL-AWEZNQCLSA-N 0 3 340.770 2.866 50 0 EFAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(Cl)c1 ZINC000013692499 471839038 /nfs/dbraw/zinc/83/90/38/471839038.db2.gz DPMLJYQRQUFLGL-AWEZNQCLSA-N 0 3 340.770 2.866 50 0 EFAAHN COc1ccc(CCN2C[C@@H](NCc3ccc(F)cc3)CC2=O)cc1 ZINC000014949585 471883422 /nfs/dbraw/zinc/88/34/22/471883422.db2.gz QGTVIHWKCWBVNB-SFHVURJKSA-N 0 3 342.414 2.768 50 0 EFAAHN CN(C(=O)C1CCOCC1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000015061708 471886187 /nfs/dbraw/zinc/88/61/87/471886187.db2.gz HUQRNPWLTQCZEA-LJQANCHMSA-N 0 3 330.472 2.579 50 0 EFAAHN COc1cccc(CN[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 ZINC000015066583 471887399 /nfs/dbraw/zinc/88/73/99/471887399.db2.gz XZIOYAQYPADIDG-SFHVURJKSA-N 0 3 342.414 2.768 50 0 EFAAHN C[C@@H]1CN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000015068008 471888120 /nfs/dbraw/zinc/88/81/20/471888120.db2.gz STEKYGDNJNKAEX-CALCHBBNSA-N 0 3 342.483 2.646 50 0 EFAAHN Cc1cccc(CN2CCC[C@](O)(CNCc3ccccc3)C2=O)c1 ZINC000015076887 471888450 /nfs/dbraw/zinc/88/84/50/471888450.db2.gz RMUZGRUWPVLVFZ-NRFANRHFSA-N 0 3 338.451 2.638 50 0 EFAAHN COc1cc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1F ZINC000015076263 471888828 /nfs/dbraw/zinc/88/88/28/471888828.db2.gz RBODAWDLLRPPDC-MRXNPFEDSA-N 0 3 346.377 2.864 50 0 EFAAHN COc1ccc(OC)c(NC(=S)NC2CCN(C(C)C)CC2)c1 ZINC000017070946 471955382 /nfs/dbraw/zinc/95/53/82/471955382.db2.gz ZZWMPTDNGVDQGJ-UHFFFAOYSA-N 0 3 337.489 2.863 50 0 EFAAHN CCOC(=O)C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000034320142 471989503 /nfs/dbraw/zinc/98/95/03/471989503.db2.gz WEVYRERJWPPGNZ-UHFFFAOYSA-N 0 3 340.464 2.661 50 0 EFAAHN Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000067268286 472012320 /nfs/dbraw/zinc/01/23/20/472012320.db2.gz FHNTZXJUHUPDTC-IBGZPJMESA-N 0 3 342.487 2.697 50 0 EFAAHN COc1ccc(F)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000039429871 472024490 /nfs/dbraw/zinc/02/44/90/472024490.db2.gz NMNBKMAXVMUBQI-QGZVFWFLSA-N 0 3 336.451 2.646 50 0 EFAAHN CCCc1cc(N2CCN(Cc3n[nH]c(C)c3Cl)CC2)nc(C)n1 ZINC000067673382 472069024 /nfs/dbraw/zinc/06/90/24/472069024.db2.gz LSCGGYOXRNIOBO-UHFFFAOYSA-N 0 3 348.882 2.745 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(F)c3)cnn2c1 ZINC000067724647 472079859 /nfs/dbraw/zinc/07/98/59/472079859.db2.gz CZBGOJDJVIGLCV-UHFFFAOYSA-N 0 3 341.390 2.963 50 0 EFAAHN CNc1ccc(C)cc1C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1 ZINC000067878939 472103399 /nfs/dbraw/zinc/10/33/99/472103399.db2.gz QJWWSFUNGIBZLC-INIZCTEOSA-N 0 3 338.455 2.684 50 0 EFAAHN CCOCC(=O)NCC1CCN(Cc2ccccc2SC)CC1 ZINC000043990955 472278354 /nfs/dbraw/zinc/27/83/54/472278354.db2.gz JGRXMCQMXJBYCP-UHFFFAOYSA-N 0 3 336.501 2.773 50 0 EFAAHN COc1ccccc1OCCN1CC[C@@H](CNc2ccccn2)C1 ZINC000069416143 472337143 /nfs/dbraw/zinc/33/71/43/472337143.db2.gz FPTBZTCFNBNTSR-INIZCTEOSA-N 0 3 327.428 2.903 50 0 EFAAHN Cn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000069454078 472347292 /nfs/dbraw/zinc/34/72/92/472347292.db2.gz PLHQDJNAVFKZIO-RBUKOAKNSA-N 0 3 338.455 2.689 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1ccc(OCc3ccccn3)cc1)CC2 ZINC000097199426 472474619 /nfs/dbraw/zinc/47/46/19/472474619.db2.gz DNMOOSQGDRBVGL-QGZVFWFLSA-N 0 3 349.438 2.665 50 0 EFAAHN Cc1cccc(NC[C@H]2CCN(Cc3ccc4c(c3)OC(=O)C4)C2)n1 ZINC000097200546 472477706 /nfs/dbraw/zinc/47/77/06/472477706.db2.gz KJTFJZOVEYJDAE-MRXNPFEDSA-N 0 3 337.423 2.786 50 0 EFAAHN COc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)o2)cc1 ZINC000077287416 472494137 /nfs/dbraw/zinc/49/41/37/472494137.db2.gz QVGCDCQFZDKYBG-GOEBONIOSA-N 0 3 326.396 2.731 50 0 EFAAHN C[C@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCOCC1 ZINC000077285949 472494470 /nfs/dbraw/zinc/49/44/70/472494470.db2.gz PXSHZLDGQRCJGM-OAHLLOKOSA-N 0 3 342.443 2.674 50 0 EFAAHN O=C(CN1CCCCCC1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077299990 472496941 /nfs/dbraw/zinc/49/69/41/472496941.db2.gz JNDYPWGBNBVJMZ-FQEVSTJZSA-N 0 3 344.499 2.705 50 0 EFAAHN Cc1c(C(=O)NCCN2CCCC[C@@H]2CO)[nH]c2c1c(C)ccc2C ZINC000097492563 472497792 /nfs/dbraw/zinc/49/77/92/472497792.db2.gz ZDKPIAMYOOKOFH-MRXNPFEDSA-N 0 3 343.471 2.670 50 0 EFAAHN Cc1c(C(=O)NCCN2CCCC[C@H]2CO)[nH]c2c1c(C)ccc2C ZINC000097492564 472497813 /nfs/dbraw/zinc/49/78/13/472497813.db2.gz ZDKPIAMYOOKOFH-INIZCTEOSA-N 0 3 343.471 2.670 50 0 EFAAHN Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)n(C)n1 ZINC000077337495 472505902 /nfs/dbraw/zinc/50/59/02/472505902.db2.gz LTCBDJRMIHUSBY-UHFFFAOYSA-N 0 3 340.471 2.509 50 0 EFAAHN c1cn(CC[C@H]2CCCCN2Cc2cnc(N3CCCC3)nc2)cn1 ZINC000077354665 472511392 /nfs/dbraw/zinc/51/13/92/472511392.db2.gz VOIQBDWFFHCCBA-GOSISDBHSA-N 0 3 340.475 2.718 50 0 EFAAHN CNc1nc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H](N(C)C)C2)cs1 ZINC000077393825 472519518 /nfs/dbraw/zinc/51/95/18/472519518.db2.gz 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CN1CCCN(CC(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000952873942 1284899186 /nfs/dbraw/zinc/89/91/86/1284899186.db2.gz SGEBMSAEJHEBDP-FQEVSTJZSA-N 0 3 343.515 2.638 50 0 EFAAHN Cc1nc(N(C)C)ncc1C(=O)Nc1ccccc1CN1CCCC1 ZINC000952864390 1284909454 /nfs/dbraw/zinc/90/94/54/1284909454.db2.gz YRZATAHOIZYFTR-UHFFFAOYSA-N 0 3 339.443 2.699 50 0 EFAAHN CSc1cccc(CN(C(=O)CN2CCCN(C)CC2)C(C)C)c1 ZINC000952865955 1284910549 /nfs/dbraw/zinc/91/05/49/1284910549.db2.gz ZSJXCOOFYBJIJM-UHFFFAOYSA-N 0 3 349.544 2.783 50 0 EFAAHN C[C@@H](CCNC(=O)CC12CC3CC(CC(C3)C1)C2)N1CCN(C)CC1 ZINC000952963770 1284921594 /nfs/dbraw/zinc/92/15/94/1284921594.db2.gz KBUWRXPRTZPQQU-PDRSHUBSSA-N 0 3 347.547 2.735 50 0 EFAAHN C[C@H](CCC(=O)Nc1ccc2scnc2c1)N1CCN(C)CC1 ZINC000952977408 1284952171 /nfs/dbraw/zinc/95/21/71/1284952171.db2.gz JXLKLEVKNFQYQD-CYBMUJFWSA-N 0 3 332.473 2.651 50 0 EFAAHN Cc1nc(CNCCN2CC[C@@H](c3ccccc3C)C2)n(C)c1C ZINC000952979648 1284958870 /nfs/dbraw/zinc/95/88/70/1284958870.db2.gz OAHGUBYEPJUFRN-GOSISDBHSA-N 0 3 326.488 2.924 50 0 EFAAHN O=C(CN1CCCCCC1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000952981818 1284977880 /nfs/dbraw/zinc/97/78/80/1284977880.db2.gz NZGOTQSUWNLHLK-ZCYBBYNQSA-N 0 3 334.504 2.556 50 0 EFAAHN CN(C)[C@H](CNC(=O)c1ccc(CN2CCCC2)o1)c1ccco1 ZINC000952986881 1284988572 /nfs/dbraw/zinc/98/85/72/1284988572.db2.gz LPSLOPDANCESQL-OAHLLOKOSA-N 0 3 331.416 2.501 50 0 EFAAHN CCNC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1Cl ZINC000952986994 1284988763 /nfs/dbraw/zinc/98/87/63/1284988763.db2.gz DIKDBZSRUHTWOW-UHFFFAOYSA-N 0 3 337.851 2.903 50 0 EFAAHN CC1(C(=O)N2CCCN(CCCOCc3ccccc3)CC2)CC1 ZINC001195907340 1294075256 /nfs/dbraw/zinc/07/52/56/1294075256.db2.gz MMNJVSFMAFIKAX-UHFFFAOYSA-N 0 3 330.472 2.928 50 0 EFAAHN CC(C)(C)CN1CCC[C@@](O)(CNCc2ccc(Cl)s2)C1=O ZINC000014966209 1311408694 /nfs/dbraw/zinc/40/86/94/1311408694.db2.gz OUWOITNGIIJETO-MRXNPFEDSA-N 0 3 344.908 2.891 50 0 EFAAHN OCC[C@H]1CN(Cc2ccoc2)CCN1CCCc1ccccc1 ZINC000019791487 1314540518 /nfs/dbraw/zinc/54/05/18/1314540518.db2.gz 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/nfs/dbraw/zinc/18/24/13/718182413.db2.gz ILBZZYZOAFVTEC-INIZCTEOSA-N 0 3 340.471 2.907 50 0 EFAAHN O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCC2)CC1 ZINC000004744345 210267843 /nfs/dbraw/zinc/26/78/43/210267843.db2.gz VPKMUJDPUSQDDJ-UHFFFAOYSA-N 0 3 328.865 2.589 50 0 EFAAHN COc1ccc2[nH]c(CN3CCC(c4nnc[nH]4)CC3)c(C)c2c1 ZINC000097619219 219042224 /nfs/dbraw/zinc/04/22/24/219042224.db2.gz YOSNEZVSADYCCT-UHFFFAOYSA-N 0 3 325.416 2.983 50 0 EFAAHN CCn1ncc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)c1C ZINC000097698878 219049779 /nfs/dbraw/zinc/04/97/79/219049779.db2.gz CSIBGBSDTZNVDM-SFHVURJKSA-N 0 3 340.471 2.821 50 0 EFAAHN CCN1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000004700529 210252325 /nfs/dbraw/zinc/25/23/25/210252325.db2.gz QLYJDKKXNCIZMV-UHFFFAOYSA-N 0 3 349.906 2.716 50 0 EFAAHN O[C@@]1(c2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000097744777 219053854 /nfs/dbraw/zinc/05/38/54/219053854.db2.gz KRJUDMVQHFBWFE-SFHVURJKSA-N 0 3 329.469 2.837 50 0 EFAAHN COCc1cn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055107706 214273735 /nfs/dbraw/zinc/27/37/35/214273735.db2.gz FOMZXVQUNMFTJS-NSCUHMNNSA-N 0 3 330.407 2.914 50 0 EFAAHN CSc1nnc(CC2CCN(Cc3ccc(O)cc3)CC2)n1C ZINC000055284208 214301755 /nfs/dbraw/zinc/30/17/55/214301755.db2.gz DARDDWLLTBOADL-UHFFFAOYSA-N 0 3 332.473 2.697 50 0 EFAAHN Cc1cc(C)n(-c2cccc(CN3CCC4(COC(=O)O4)CC3)c2)n1 ZINC000097775512 219056415 /nfs/dbraw/zinc/05/64/15/219056415.db2.gz PDLTWZFKVJDRBP-UHFFFAOYSA-N 0 3 341.411 2.991 50 0 EFAAHN Cc1ccsc1CN(CCN(C)C)c1ncnc2oc(C)nc21 ZINC000055413842 214322488 /nfs/dbraw/zinc/32/24/88/214322488.db2.gz RQYYPRQPAOPDOY-UHFFFAOYSA-N 0 3 331.445 2.864 50 0 EFAAHN CCN(Cc1cn(CCC(N)=O)c2ccccc12)C[C@@H]1CCCO1 ZINC000055576425 214332270 /nfs/dbraw/zinc/33/22/70/214332270.db2.gz OEBIBTGGSJJWHK-INIZCTEOSA-N 0 3 329.444 2.518 50 0 EFAAHN Cc1ccc(CN(CCN(C)C)C(=O)CCc2[nH]nc(C)c2C)s1 ZINC000097823170 219058905 /nfs/dbraw/zinc/05/89/05/219058905.db2.gz NQDJHAWSHIFHIN-UHFFFAOYSA-N 0 3 348.516 2.919 50 0 EFAAHN CC(C)c1ccc(NC(=O)CCC(=O)NCCN2CCCC2)cc1 ZINC000004680332 210245999 /nfs/dbraw/zinc/24/59/99/210245999.db2.gz IZZZWBKVNMWTNQ-UHFFFAOYSA-N 0 3 331.460 2.741 50 0 EFAAHN CCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)=C1[O-] ZINC000100288904 219095745 /nfs/dbraw/zinc/09/57/45/219095745.db2.gz OEYJYVYTFSKKEI-HNNXBMFYSA-N 0 3 326.352 2.613 50 0 EFAAHN CCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O ZINC000100288904 219095747 /nfs/dbraw/zinc/09/57/47/219095747.db2.gz OEYJYVYTFSKKEI-HNNXBMFYSA-N 0 3 326.352 2.613 50 0 EFAAHN Cc1cc(C)n([C@@H]2CCN(CCC(=O)NCc3ccc(C)cc3)C2)n1 ZINC000065393589 214886853 /nfs/dbraw/zinc/88/68/53/214886853.db2.gz VZQADQMIWPRKTE-LJQANCHMSA-N 0 3 340.471 2.762 50 0 EFAAHN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C3(N)CCC3)C2)cc1 ZINC000067603980 215167418 /nfs/dbraw/zinc/16/74/18/215167418.db2.gz NUDIMZZRDQBLAK-INIZCTEOSA-N 0 3 338.455 2.973 50 0 EFAAHN Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C3(N)CCC3)C2)cc1 ZINC000067603980 215167421 /nfs/dbraw/zinc/16/74/21/215167421.db2.gz NUDIMZZRDQBLAK-INIZCTEOSA-N 0 3 338.455 2.973 50 0 EFAAHN C[C@@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)N1CCCC1 ZINC000067640924 215170951 /nfs/dbraw/zinc/17/09/51/215170951.db2.gz BWVNKPDUVIRVBO-HNNXBMFYSA-N 0 3 349.438 2.521 50 0 EFAAHN N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc2sccc2c1 ZINC000067673510 215178791 /nfs/dbraw/zinc/17/87/91/215178791.db2.gz MHQWLKZIMIHIRP-INIZCTEOSA-N 0 3 326.421 2.793 50 0 EFAAHN O=C(C1CC1)N1CC[C@]2(C1)CCCN(CCOCc1ccccc1)C2 ZINC000067723560 215194764 /nfs/dbraw/zinc/19/47/64/215194764.db2.gz SXEKHMVPLRWPOB-OAQYLSRUSA-N 0 3 342.483 2.928 50 0 EFAAHN CCOc1ccc2[nH]c(=O)c(CN3CCC([C@H](C)O)CC3)cc2c1 ZINC000067690847 215185584 /nfs/dbraw/zinc/18/55/84/215185584.db2.gz XTYWWKOVKGVFAT-ZDUSSCGKSA-N 0 3 330.428 2.520 50 0 EFAAHN CN(C)C(=O)N1CC[C@@]2(C1)CCCN(CCOCc1ccccc1)C2 ZINC000067692728 215187654 /nfs/dbraw/zinc/18/76/54/215187654.db2.gz XTEPDQMOZLKQPC-FQEVSTJZSA-N 0 3 345.487 2.673 50 0 EFAAHN CCC[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067727448 215197553 /nfs/dbraw/zinc/19/75/53/215197553.db2.gz LQCCZIRZENIMRV-AWEZNQCLSA-N 0 3 335.354 2.896 50 0 EFAAHN O=C(NC[C@H]1CCCN(Cc2ccccn2)C1)c1nc2ccccc2[nH]1 ZINC000067740551 215199012 /nfs/dbraw/zinc/19/90/12/215199012.db2.gz ICLWHCDVFUIMLU-OAHLLOKOSA-N 0 3 349.438 2.600 50 0 EFAAHN O=C(Cn1cccc1)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067757605 215204754 /nfs/dbraw/zinc/20/47/54/215204754.db2.gz XWZOIDVQZMIVLU-INIZCTEOSA-N 0 3 336.439 2.608 50 0 EFAAHN Cn1ccnc1-c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000067773602 215209006 /nfs/dbraw/zinc/20/90/06/215209006.db2.gz GYOOPJSRFZTYLM-QGZVFWFLSA-N 0 3 348.454 2.954 50 0 EFAAHN Cc1cncc(C(=O)NC[C@H]2CCCN(Cc3cccc(O)c3)C2)c1 ZINC000067788685 215214080 /nfs/dbraw/zinc/21/40/80/215214080.db2.gz KZBRXWSPQBMIPJ-QGZVFWFLSA-N 0 3 339.439 2.738 50 0 EFAAHN CSc1ccc2cc(CN(C)CCn3cccn3)c(=O)[nH]c2c1 ZINC000067834420 215224850 /nfs/dbraw/zinc/22/48/50/215224850.db2.gz DRBCZHGMIAKMLC-UHFFFAOYSA-N 0 3 328.441 2.579 50 0 EFAAHN Cc1noc(C)c1C(=O)NCC1CCN(Cc2cccc(O)c2)CC1 ZINC000067850528 215229762 /nfs/dbraw/zinc/22/97/62/215229762.db2.gz XXFQUKPIWPEWBL-UHFFFAOYSA-N 0 3 343.427 2.639 50 0 EFAAHN Cc1cccc(CNC(=O)NC[C@@H]2CCN(Cc3ccncc3)C2)c1 ZINC000067851606 215231496 /nfs/dbraw/zinc/23/14/96/215231496.db2.gz FZSXSUIRWIREEH-IBGZPJMESA-N 0 3 338.455 2.711 50 0 EFAAHN O=C(NC[C@@H]1CCN(Cc2cccc(-n3cccn3)c2)C1)C1CCC1 ZINC000067867372 215234692 /nfs/dbraw/zinc/23/46/92/215234692.db2.gz ABNHIEVDKGGSHG-KRWDZBQOSA-N 0 3 338.455 2.611 50 0 EFAAHN Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccncn3)C2)cc1C ZINC000067879010 215239315 /nfs/dbraw/zinc/23/93/15/215239315.db2.gz SOOIBDFFMQJYHY-GOSISDBHSA-N 0 3 338.455 2.735 50 0 EFAAHN C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000067919716 215249883 /nfs/dbraw/zinc/24/98/83/215249883.db2.gz SSWDQNMSTRAYSB-FCONWMNKSA-N 0 3 340.427 2.533 50 0 EFAAHN C[C@@H](CC1=CCCN(C)C1)NC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000067921444 215251695 /nfs/dbraw/zinc/25/16/95/215251695.db2.gz YXGOMSXGPCCCQV-NSHDSACASA-N 0 3 338.354 2.778 50 0 EFAAHN Cc1cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)ccc1F ZINC000067935465 215254362 /nfs/dbraw/zinc/25/43/62/215254362.db2.gz ZVBTVQUXJLXKAM-HNNXBMFYSA-N 0 3 334.435 2.707 50 0 EFAAHN Cc1cc(NCc2cccnc2-n2cnc3ccccc32)nc(N)n1 ZINC000067935317 215254425 /nfs/dbraw/zinc/25/44/25/215254425.db2.gz LGLYJVGBWNPWJF-UHFFFAOYSA-N 0 3 331.383 2.713 50 0 EFAAHN O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1ccncc1Cl ZINC000067955973 215259657 /nfs/dbraw/zinc/25/96/57/215259657.db2.gz QQZZIRCZCVPBAI-ZDUSSCGKSA-N 0 3 333.819 2.970 50 0 EFAAHN C/C(=C\c1ccccc1)CN1CC[C@H](CNC(=O)c2cnco2)C1 ZINC000067954513 215259683 /nfs/dbraw/zinc/25/96/83/215259683.db2.gz LAIJAYJDDSZZNM-NQUDRAQSSA-N 0 3 325.412 2.830 50 0 EFAAHN C/C(=C\c1ccccc1)CN1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC000067954515 215259750 /nfs/dbraw/zinc/25/97/50/215259750.db2.gz LAIJAYJDDSZZNM-FVLHSZHDSA-N 0 3 325.412 2.830 50 0 EFAAHN Cc1ccc(C(=O)N2CCC(C3=CCN(CCO)CC3)CC2)cc1F ZINC000067965237 215261095 /nfs/dbraw/zinc/26/10/95/215261095.db2.gz VKAKKDUNNVIRJL-UHFFFAOYSA-N 0 3 346.446 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CCc1nc2ccc(NC(=O)N(C)CCn3ccnc3C)cc2[nH]1 ZINC000097360151 219015142 /nfs/dbraw/zinc/01/51/42/219015142.db2.gz TZBGAWSBTISPCI-UHFFFAOYSA-N 0 3 326.404 2.794 50 0 EFAAHN N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000097402490 219021966 /nfs/dbraw/zinc/02/19/66/219021966.db2.gz VGTVTGMXCUHQMK-WMZOPIPTSA-N 0 3 336.370 2.570 50 0 EFAAHN Cc1cc(C)n(-c2cccc(CN3C[C@H]4CC[C@@H](C3)N(C)C4=O)c2)n1 ZINC000097468457 219027314 /nfs/dbraw/zinc/02/73/14/219027314.db2.gz CHGWYRHZIXPCSX-MJGOQNOKSA-N 0 3 338.455 2.542 50 0 EFAAHN CCN(CCN1CCCC1)C(=O)c1cc(-c2ccccc2)nn1C ZINC000097569015 219035668 /nfs/dbraw/zinc/03/56/68/219035668.db2.gz IKDLCTMOYIAWSG-UHFFFAOYSA-N 0 3 326.444 2.645 50 0 EFAAHN Cn1c(CO)nnc1C1CCN(Cc2csc3ccccc23)CC1 ZINC000097578647 219036172 /nfs/dbraw/zinc/03/61/72/219036172.db2.gz XWQWVHFTRRMAOZ-UHFFFAOYSA-N 0 3 342.468 2.902 50 0 EFAAHN CN(CCNC(=O)c1cccc(-c2ncc[nH]2)c1)CCc1ccccc1 ZINC000097594957 219036892 /nfs/dbraw/zinc/03/68/92/219036892.db2.gz PABFBAJSSNKEQK-UHFFFAOYSA-N 0 3 348.450 2.981 50 0 EFAAHN Cc1ccc(OC[C@@H](O)CNCc2ccc3c(c2)OCO3)cc1C ZINC000000119211 258047637 /nfs/dbraw/zinc/04/76/37/258047637.db2.gz KWOMMEBCIBZADL-INIZCTEOSA-N 0 3 329.396 2.562 50 0 EFAAHN CC(C)CN1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000036385619 258003854 /nfs/dbraw/zinc/00/38/54/258003854.db2.gz DKTLINJHZYTANH-LJQANCHMSA-N 0 3 327.472 2.759 50 0 EFAAHN COc1ccc(OC)c2nc(N(C)C)c(CNC[C@@H]3CCCO3)cc12 ZINC000299780824 258089735 /nfs/dbraw/zinc/08/97/35/258089735.db2.gz BOWIPTDHULRWGR-AWEZNQCLSA-N 0 3 345.443 2.587 50 0 EFAAHN COCC1(C(=O)NCC2(c3ccccc3)CCN(C)CC2)CCC1 ZINC000299785345 258092392 /nfs/dbraw/zinc/09/23/92/258092392.db2.gz YBCIQDYCVJOEMR-UHFFFAOYSA-N 0 3 330.472 2.583 50 0 EFAAHN COc1c(C)cc(NC(=O)NCCCOC2CCN(C)CC2)cc1C ZINC000299787203 258093707 /nfs/dbraw/zinc/09/37/07/258093707.db2.gz PSWDXSZSRASOIY-UHFFFAOYSA-N 0 3 349.475 2.934 50 0 EFAAHN CO[C@]12CCN(Cc3ccc4c(c3)CC(C)(C)O4)[C@H]1C[C@@H](O)CC2 ZINC000299796388 258100617 /nfs/dbraw/zinc/10/06/17/258100617.db2.gz MQHBEUIRFLJXGJ-XKGZKEIXSA-N 0 3 331.456 2.904 50 0 EFAAHN OC1(c2ccc3c(c2)CNCCO3)CCN(c2ccccc2F)CC1 ZINC000299799395 258103010 /nfs/dbraw/zinc/10/30/10/258103010.db2.gz RIWNUKRJSUIJGM-UHFFFAOYSA-N 0 3 342.414 2.796 50 0 EFAAHN c1cncc(OC2CCN(Cc3ccc4c(c3)CNCCO4)CC2)c1 ZINC000299803158 258105912 /nfs/dbraw/zinc/10/59/12/258105912.db2.gz YNKAKEHMVXBXBF-UHFFFAOYSA-N 0 3 339.439 2.607 50 0 EFAAHN CC(C)(Oc1ccccc1)C(=O)N1CCC(N2CCSCC2)CC1 ZINC000299759581 258076801 /nfs/dbraw/zinc/07/68/01/258076801.db2.gz UUASILPJWOPDBV-UHFFFAOYSA-N 0 3 348.512 2.884 50 0 EFAAHN Cc1[nH]c2c(cccc2CN2CC[C@H]3[C@H](C2)OCc2cnnn23)c1C ZINC000299759628 258076998 /nfs/dbraw/zinc/07/69/98/258076998.db2.gz NRACQJQOOKLUBX-ROUUACIJSA-N 0 3 337.427 2.722 50 0 EFAAHN Cc1n[nH]c(C)c1CCN1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000299760142 258077181 /nfs/dbraw/zinc/07/71/81/258077181.db2.gz SBBCBMGWDGDZFV-FQEVSTJZSA-N 0 3 338.499 2.744 50 0 EFAAHN Cc1nnc([C@@H](C)NC(=O)c2cccc(CN3CCCCCC3)c2)[nH]1 ZINC000299761604 258078452 /nfs/dbraw/zinc/07/84/52/258078452.db2.gz WUDUQWPMOJNPMT-CQSZACIVSA-N 0 3 341.459 2.980 50 0 EFAAHN COCCn1c(C)cc2cc(NC(=O)NCCN3CCCC3)ccc21 ZINC000299765012 258080416 /nfs/dbraw/zinc/08/04/16/258080416.db2.gz YPOOBPOLMWVTNU-UHFFFAOYSA-N 0 3 344.459 2.813 50 0 EFAAHN CO[C@]12CCN(Cc3c[nH]nc3C3CCCCC3)[C@H]1C[C@H](O)CC2 ZINC000299765974 258080989 /nfs/dbraw/zinc/08/09/89/258080989.db2.gz ACZCAQFQMAHWJH-ZIFCJYIRSA-N 0 3 333.476 2.962 50 0 EFAAHN CCc1nccn1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000299766894 258081210 /nfs/dbraw/zinc/08/12/10/258081210.db2.gz UOFQCZLURLEPOU-KRWDZBQOSA-N 0 3 344.434 2.538 50 0 EFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)NC[C@@H]1CCCO1 ZINC000005050120 292355167 /nfs/dbraw/zinc/35/51/67/292355167.db2.gz WSCKMIBHIVCVOS-ZVZYQTTQSA-N 0 3 345.512 2.656 50 0 biogenic EFAAHN O=C(Cc1ccncc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000272348539 266236460 /nfs/dbraw/zinc/23/64/60/266236460.db2.gz BUPZRPUSANMYNZ-UHFFFAOYSA-N 0 3 335.451 2.673 50 0 EFAAHN COc1ccc2[nH]cc([C@@H]3NC(=N)Nc4nc5ccccc5n43)c2c1 ZINC000001430149 274120775 /nfs/dbraw/zinc/12/07/75/274120775.db2.gz DCMZSUVXBFSDQK-MRXNPFEDSA-N 0 3 332.367 2.623 50 0 EFAAHN c1csc(N2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095512327 275075042 /nfs/dbraw/zinc/07/50/42/275075042.db2.gz PHMJEQGQLMKWML-OAHLLOKOSA-N 0 3 329.469 2.907 50 0 EFAAHN CC(C)c1cc(N2CCCO[C@H](CN3CCCC3)C2)n2nccc2n1 ZINC000072168309 276047171 /nfs/dbraw/zinc/04/71/71/276047171.db2.gz PWARWMKQFCIEPM-MRXNPFEDSA-N 0 3 343.475 2.544 50 0 EFAAHN C[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N1CCOCC1 ZINC000072433902 277558329 /nfs/dbraw/zinc/55/83/29/277558329.db2.gz LFTKDLXSELEXRX-SFHVURJKSA-N 0 3 344.499 2.969 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)c1cc3c(s1)CCCC3)CCNC2 ZINC000091563133 279158208 /nfs/dbraw/zinc/15/82/08/279158208.db2.gz DPGYPYXANGGTQQ-UHFFFAOYSA-N 0 3 341.480 2.906 50 0 EFAAHN CCSCCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 ZINC000082156046 280035565 /nfs/dbraw/zinc/03/55/65/280035565.db2.gz KEEXVINTNMNFAS-UHFFFAOYSA-N 0 3 338.521 2.504 50 0 EFAAHN Cc1cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)ccc2o1 ZINC000219265050 280694080 /nfs/dbraw/zinc/69/40/80/280694080.db2.gz UJTDUFZSLKXLLI-QXCFHYIPSA-N 0 3 340.423 2.723 50 0 EFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)N2CCOCC2)cc1 ZINC000072153895 289224726 /nfs/dbraw/zinc/22/47/26/289224726.db2.gz BWAMYJIKJXQJPL-SFHVURJKSA-N 0 3 331.460 2.727 50 0 EFAAHN Cc1c([C@@H]2NC(=N)Nc3nc4ccccc4n32)c2ccccc2n1C ZINC000001430184 300996011 /nfs/dbraw/zinc/99/60/11/300996011.db2.gz YBHNQXMURADGAP-QGZVFWFLSA-N 0 3 330.395 2.933 50 0 EFAAHN Cc1nc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc2nncn21 ZINC000298904667 311033465 /nfs/dbraw/zinc/03/34/65/311033465.db2.gz OADQYIHSZRKJLT-HXUWFJFHSA-N 0 3 348.454 2.535 50 0 EFAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000095503894 473215329 /nfs/dbraw/zinc/21/53/29/473215329.db2.gz OAZQJTBBTUUPQU-CTNGQTDRSA-N 0 3 342.483 2.907 50 0 EFAAHN CCC[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1NC(C)=O ZINC000095507656 473216970 /nfs/dbraw/zinc/21/69/70/473216970.db2.gz GIJASSYSFSPCBV-IEBWSBKVSA-N 0 3 326.444 2.609 50 0 EFAAHN COc1ccc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2N(C)C)cc1 ZINC000095512232 473217848 /nfs/dbraw/zinc/21/78/48/473217848.db2.gz JDPUDBUJFCVNPH-ZWKOTPCHSA-N 0 3 344.480 2.855 50 0 EFAAHN COCCc1nc(CCN2C[C@@H]3CC[C@H]2C3)n(Cc2ccccc2)n1 ZINC000095517879 473218167 /nfs/dbraw/zinc/21/81/67/473218167.db2.gz OFUZODFBTMGKKW-MSOLQXFVSA-N 0 3 340.471 2.542 50 0 EFAAHN O[C@@H]1CN(Cc2ccccc2)CCN(c2nccc3ccccc32)C1 ZINC000095521429 473218802 /nfs/dbraw/zinc/21/88/02/473218802.db2.gz FDCBXKCZFKBHHT-LJQANCHMSA-N 0 3 333.435 2.918 50 0 EFAAHN CCc1cc(CN(C)C(=O)[C@H]2CCCN(Cc3ccco3)C2)on1 ZINC000095518473 473219309 /nfs/dbraw/zinc/21/93/09/473219309.db2.gz UTVONZXVMIKIPZ-AWEZNQCLSA-N 0 3 331.416 2.701 50 0 EFAAHN CCCc1cnc(C)nc1N1CCC(NCc2ccccn2)CC1 ZINC000095521449 473219348 /nfs/dbraw/zinc/21/93/48/473219348.db2.gz FSYAHTYSFNHBHB-UHFFFAOYSA-N 0 3 325.460 2.891 50 0 EFAAHN CCN1CC2(CC1=O)CCN(Cc1nc3ccccc3nc1C)CC2 ZINC000095531284 473221632 /nfs/dbraw/zinc/22/16/32/473221632.db2.gz USFIJORFQHXESA-UHFFFAOYSA-N 0 3 338.455 2.773 50 0 EFAAHN CC(C)c1nnc2n1C[C@@H](NCc1cccc3c1OCCCO3)CC2 ZINC000095958129 473229938 /nfs/dbraw/zinc/22/99/38/473229938.db2.gz WTQMSVOALUAXRN-HNNXBMFYSA-N 0 3 342.443 2.667 50 0 EFAAHN CC(C)CN1CCC[C@@H]1c1ccc(C(=O)Nc2cn(C)nn2)s1 ZINC000082039459 473285914 /nfs/dbraw/zinc/28/59/14/473285914.db2.gz ATTAZWWAEQJZQH-GFCCVEGCSA-N 0 3 333.461 2.922 50 0 EFAAHN OC[C@H]1CCCCN1CCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082098540 473287076 /nfs/dbraw/zinc/28/70/76/473287076.db2.gz RJPFUKILMAIHCU-LJQANCHMSA-N 0 3 336.439 2.945 50 0 EFAAHN CCCc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082097444 473287917 /nfs/dbraw/zinc/28/79/17/473287917.db2.gz JBNHFDFUKUTGAD-HXUWFJFHSA-N 0 3 348.487 2.819 50 0 EFAAHN COc1cccc(OC2CN(C(=O)C3(N4CCCC4)CCCC3)C2)c1 ZINC000082097466 473288316 /nfs/dbraw/zinc/28/83/16/473288316.db2.gz DVUANFUJMCDRHK-UHFFFAOYSA-N 0 3 344.455 2.693 50 0 EFAAHN CCn1c(CN2CCCC2)nnc1C1CCN(c2ccncc2)CC1 ZINC000082106770 473288657 /nfs/dbraw/zinc/28/86/57/473288657.db2.gz ZKDUHEGRKCNXCB-UHFFFAOYSA-N 0 3 340.475 2.673 50 0 EFAAHN CC(C)(C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082107212 473289376 /nfs/dbraw/zinc/28/93/76/473289376.db2.gz YTAYXBAKXXZZCB-UHFFFAOYSA-N 0 3 332.492 2.941 50 0 EFAAHN Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)n1 ZINC000082161126 473297082 /nfs/dbraw/zinc/29/70/82/473297082.db2.gz MWCBBUAELBUYMT-KRWDZBQOSA-N 0 3 348.454 2.996 50 0 EFAAHN C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc3ncn(C)c3c2)C1 ZINC000096133760 473310253 /nfs/dbraw/zinc/31/02/53/473310253.db2.gz REWXVQDWBLSDBJ-CYBMUJFWSA-N 0 3 327.432 2.664 50 0 EFAAHN Cc1cc(C)c(NC(=O)NCCN2CCCC[C@@H]2CO)c(Cl)c1 ZINC000096133769 473311393 /nfs/dbraw/zinc/31/13/93/473311393.db2.gz OUJDVGNJYWDMCY-CQSZACIVSA-N 0 3 339.867 2.925 50 0 EFAAHN CC(C)c1nc([C@@H]2NCCc3[nH]cnc32)n(CCc2ccccc2)n1 ZINC000096140047 473313417 /nfs/dbraw/zinc/31/34/17/473313417.db2.gz VRVURFKXJPTZAM-QGZVFWFLSA-N 0 3 336.443 2.602 50 0 EFAAHN CN1CCC(Cc2nc(-c3ccc(Cl)s3)n(CCO)n2)CC1 ZINC000096148640 473315081 /nfs/dbraw/zinc/31/50/81/473315081.db2.gz ZKLGHCINGMJTMC-UHFFFAOYSA-N 0 3 340.880 2.537 50 0 EFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CN1CCCCC1 ZINC000000034477 471319034 /nfs/dbraw/zinc/31/90/34/471319034.db2.gz WZCDPAZKCMKDCJ-IEBWSBKVSA-N 0 3 327.472 2.615 50 0 EFAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000000176502 471331872 /nfs/dbraw/zinc/33/18/72/471331872.db2.gz MJJOGCTVOKSCPH-ZDUSSCGKSA-N 0 3 338.835 2.944 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000000253832 471340321 /nfs/dbraw/zinc/34/03/21/471340321.db2.gz TUKIUTGWWSDEKX-CYBMUJFWSA-N 0 3 338.835 2.944 50 0 EFAAHN Cc1nc2n(C)c3ccccc3n2c1C(=O)OCCN1CCCCC1 ZINC000000255157 471341514 /nfs/dbraw/zinc/34/15/14/471341514.db2.gz YIDOBZFFBDJLJS-UHFFFAOYSA-N 0 3 340.427 2.777 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000000254767 471341743 /nfs/dbraw/zinc/34/17/43/471341743.db2.gz KJXSQUDNJGJYFJ-MRXNPFEDSA-N 0 3 332.444 2.907 50 0 EFAAHN CCOc1ccccc1CN1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000000317500 471347015 /nfs/dbraw/zinc/34/70/15/471347015.db2.gz QBAKWMZJZBUHFM-GOSISDBHSA-N 0 3 346.471 2.593 50 0 EFAAHN CCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000000804953 471376156 /nfs/dbraw/zinc/37/61/56/471376156.db2.gz DHRVWPLPJZJVRQ-UHFFFAOYSA-N 0 3 339.439 2.846 50 0 EFAAHN COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 ZINC000002169424 471402467 /nfs/dbraw/zinc/40/24/67/471402467.db2.gz GYSZUJHYXCZAKI-CQSZACIVSA-N 0 3 345.395 2.512 50 0 in-vivo EFAAHN COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 ZINC000002169422 471403120 /nfs/dbraw/zinc/40/31/20/471403120.db2.gz GYSZUJHYXCZAKI-AWEZNQCLSA-N 0 3 345.395 2.512 50 0 in-vivo EFAAHN Cc1cc(C)n(-c2cc(OCCN(C)C)nc(-c3ccccc3)n2)n1 ZINC000005423984 471504536 /nfs/dbraw/zinc/50/45/36/471504536.db2.gz IGPDFYMQGUVOEE-UHFFFAOYSA-N 0 3 337.427 2.887 50 0 EFAAHN O=C(CN1CCCCCC1)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000005829859 471522767 /nfs/dbraw/zinc/52/27/67/471522767.db2.gz KNYLIOYUILATSB-UHFFFAOYSA-N 0 3 327.472 2.686 50 0 EFAAHN CN(C[C@H]1CCCN1C)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012571573 471782515 /nfs/dbraw/zinc/78/25/15/471782515.db2.gz SXEZPMMBSHGQFH-CQSZACIVSA-N 0 3 347.390 2.559 50 0 EFAAHN CCN(CC)CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012580728 471783577 /nfs/dbraw/zinc/78/35/77/471783577.db2.gz NMGVKGIASCLFHD-KRWDZBQOSA-N 0 3 335.467 2.590 50 0 EFAAHN CC(C)(C)CN1CCC[C@@](O)(CNCc2cccc3[nH]ccc32)C1=O ZINC000012597273 471785432 /nfs/dbraw/zinc/78/54/32/471785432.db2.gz UMQAWTREGYKHEX-HXUWFJFHSA-N 0 3 343.471 2.657 50 0 EFAAHN Cc1nnsc1C(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 ZINC000012762507 471794007 /nfs/dbraw/zinc/79/40/07/471794007.db2.gz RMZYRMQLPVVICF-OAHLLOKOSA-N 0 3 330.457 2.583 50 0 EFAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1cc(C2CC2)on1 ZINC000012836251 471800433 /nfs/dbraw/zinc/80/04/33/471800433.db2.gz QDVFAUQXUGXUCE-KRWDZBQOSA-N 0 3 339.439 2.989 50 0 EFAAHN Cc1ocnc1C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012836911 471800445 /nfs/dbraw/zinc/80/04/45/471800445.db2.gz IIQHJUWWWUTVBC-QGZVFWFLSA-N 0 3 327.428 2.810 50 0 EFAAHN O=C(c1ccc2c(c1)OCCO2)N1CCN(C2CCCCC2)CC1 ZINC000013326416 471826795 /nfs/dbraw/zinc/82/67/95/471826795.db2.gz CJLWBYZFAGCVMC-UHFFFAOYSA-N 0 3 330.428 2.548 50 0 EFAAHN CCN1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccccc2)on1 ZINC000013692772 471838678 /nfs/dbraw/zinc/83/86/78/471838678.db2.gz KFYICQJDGGBIGP-UHFFFAOYSA-N 0 3 341.411 2.626 50 0 EFAAHN COc1ccc(CN[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 ZINC000014966560 471882543 /nfs/dbraw/zinc/88/25/43/471882543.db2.gz OYYGODPEOPUCHV-GOSISDBHSA-N 0 3 342.414 2.768 50 0 EFAAHN CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccs3)C2)nn1 ZINC000015066644 471887816 /nfs/dbraw/zinc/88/78/16/471887816.db2.gz OMUXDFIEEMOVLP-AWEZNQCLSA-N 0 3 347.488 2.659 50 0 EFAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(CCO)CC1 ZINC000015063414 471887905 /nfs/dbraw/zinc/88/79/05/471887905.db2.gz BJGLWOAGSRJLKJ-UHFFFAOYSA-N 0 3 325.836 2.520 50 0 EFAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cnn(C)c2)C1 ZINC000015064134 471888134 /nfs/dbraw/zinc/88/81/34/471888134.db2.gz QABXXTNAPXVBCE-HXUWFJFHSA-N 0 3 341.455 2.808 50 0 EFAAHN Cc1cccc(CN2CCC[C@@](O)(CNCc3ccccc3)C2=O)c1 ZINC000015076885 471888974 /nfs/dbraw/zinc/88/89/74/471888974.db2.gz RMUZGRUWPVLVFZ-OAQYLSRUSA-N 0 3 338.451 2.638 50 0 EFAAHN COc1ccccc1OCCNCC(=O)NCc1ccccc1Cl ZINC000016695441 471948005 /nfs/dbraw/zinc/94/80/05/471948005.db2.gz LBUDUHFNTYECDY-UHFFFAOYSA-N 0 3 348.830 2.633 50 0 EFAAHN CCCCS(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017071304 471955017 /nfs/dbraw/zinc/95/50/17/471955017.db2.gz PDQXEPMRGZMFGY-UHFFFAOYSA-N 0 3 340.533 2.703 50 0 EFAAHN Fc1ccc2nc([C@@H]3CCCCN3CCCn3cncn3)[nH]c2c1 ZINC000019730656 471984366 /nfs/dbraw/zinc/98/43/66/471984366.db2.gz FFBSSJOWURDTIE-INIZCTEOSA-N 0 3 328.395 2.911 50 0 EFAAHN CC(=O)c1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000036385734 472001534 /nfs/dbraw/zinc/00/15/34/472001534.db2.gz UWPRIKQULIUDOH-HXUWFJFHSA-N 0 3 330.472 2.700 50 0 EFAAHN COC[C@@H](NC1CCN(c2cccc(C)c2C)CC1)c1ccnn1C ZINC000067605897 472058000 /nfs/dbraw/zinc/05/80/00/472058000.db2.gz YNQKFTRSTXCZEJ-GOSISDBHSA-N 0 3 342.487 2.983 50 0 EFAAHN Cc1cncc(C(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)c1 ZINC000067642935 472064273 /nfs/dbraw/zinc/06/42/73/472064273.db2.gz FPPNVXITJQFVAJ-OAHLLOKOSA-N 0 3 327.403 2.781 50 0 EFAAHN CCN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000024936392 472073857 /nfs/dbraw/zinc/07/38/57/472073857.db2.gz OMRMLYXXFRJZKD-QGZVFWFLSA-N 0 3 337.467 2.793 50 0 EFAAHN COc1ccccc1OCCN1CC[C@H](CNc2ccccn2)C1 ZINC000069416140 472336935 /nfs/dbraw/zinc/33/69/35/472336935.db2.gz FPTBZTCFNBNTSR-MRXNPFEDSA-N 0 3 327.428 2.903 50 0 EFAAHN O=C([C@@H]1CCCO1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000069520923 472362622 /nfs/dbraw/zinc/36/26/22/472362622.db2.gz PEQFSIVACLVVNV-QYZOEREBSA-N 0 3 328.456 2.821 50 0 EFAAHN CCn1cc(C2CCN(C[C@H](O)COCc3cccs3)CC2)cn1 ZINC000097200434 472476119 /nfs/dbraw/zinc/47/61/19/472476119.db2.gz 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O=C1CCCN1C1CCN(Cc2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC000071747444 472558130 /nfs/dbraw/zinc/55/81/30/472558130.db2.gz ZMOOQOXSDXOYIU-UHFFFAOYSA-N 0 3 325.412 2.527 50 0 EFAAHN CC(C)[C@@H]1CN(C(=O)C(C)(C)N)CCCN1Cc1ccc(F)cc1 ZINC000071749395 472559042 /nfs/dbraw/zinc/55/90/42/472559042.db2.gz YESOJBFCJLVLQL-KRWDZBQOSA-N 0 3 335.467 2.622 50 0 EFAAHN Cc1ccc(NC(=O)CCN2CCC[C@@H](N3CCCC3=O)C2)c(C)c1 ZINC000071756795 472559796 /nfs/dbraw/zinc/55/97/96/472559796.db2.gz LRMDDYGFVOQLHS-QGZVFWFLSA-N 0 3 343.471 2.719 50 0 EFAAHN Cc1cc(-n2cccn2)ccc1CN1CCC(N2CCCC2=O)CC1 ZINC000071759624 472561693 /nfs/dbraw/zinc/56/16/93/472561693.db2.gz RZBNZMYDZCGKBP-UHFFFAOYSA-N 0 3 338.455 2.768 50 0 EFAAHN Cc1nn(C)c(N(C)C)c1CNC[C@@H]1CCN(C)c2ccccc21 ZINC000058407778 472565614 /nfs/dbraw/zinc/56/56/14/472565614.db2.gz QKHWLRGXDBLOSG-HNNXBMFYSA-N 0 3 327.476 2.508 50 0 EFAAHN Cc1nn(C)c(N(C)C)c1CNC1CCN(c2ccc(F)cc2)CC1 ZINC000058427962 472568132 /nfs/dbraw/zinc/56/81/32/472568132.db2.gz CIOGTGBQGLWYND-UHFFFAOYSA-N 0 3 345.466 2.692 50 0 EFAAHN Cc1ccc(C)c(OCCCN(C)Cc2cc3n(n2)CCCNC3)c1 ZINC000072161153 472633825 /nfs/dbraw/zinc/63/38/25/472633825.db2.gz WGLMXPVMJUAIMD-UHFFFAOYSA-N 0 3 342.487 2.894 50 0 EFAAHN Cc1c(F)cccc1CN1CCC2(CCC(=O)N(C[C@@H](C)O)C2)CC1 ZINC000091326598 472757434 /nfs/dbraw/zinc/75/74/34/472757434.db2.gz CJZHCBVERRTXRO-OAHLLOKOSA-N 0 3 348.462 2.720 50 0 EFAAHN C/C=C(\C)CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091643830 472789100 /nfs/dbraw/zinc/78/91/00/472789100.db2.gz SXNOUPVTAGOPPI-CRKCGEKBSA-N 0 3 342.487 2.852 50 0 EFAAHN C/C=C(\C)CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000091643830 472789106 /nfs/dbraw/zinc/78/91/06/472789106.db2.gz SXNOUPVTAGOPPI-CRKCGEKBSA-N 0 3 342.487 2.852 50 0 EFAAHN CCCCc1cc(=O)[n-]c(-c2ccc(C[N@H+](C)CCOC)cc2)n1 ZINC000048179605 472827378 /nfs/dbraw/zinc/82/73/78/472827378.db2.gz KGGMNPMHIMTXDB-UHFFFAOYSA-N 0 3 329.444 2.858 50 0 EFAAHN CCCCc1cc(=O)[n-]c(-c2ccc(C[N@@H+](C)CCOC)cc2)n1 ZINC000048179605 472827383 /nfs/dbraw/zinc/82/73/83/472827383.db2.gz KGGMNPMHIMTXDB-UHFFFAOYSA-N 0 3 329.444 2.858 50 0 EFAAHN CCNc1cc(NCCNC(=O)Nc2ccccc2C)nc(C)n1 ZINC000065363858 472927156 /nfs/dbraw/zinc/92/71/56/472927156.db2.gz ANQNPHMUMMJGNV-UHFFFAOYSA-N 0 3 328.420 2.759 50 0 EFAAHN O=C(c1cc2n(n1)CCCNC2)N1CCC2(C=Cc3ccccc32)CC1 ZINC000065373434 472928369 /nfs/dbraw/zinc/92/83/69/472928369.db2.gz XSRRLEVJOYRPAR-UHFFFAOYSA-N 0 3 348.450 2.577 50 0 EFAAHN Cc1nn(C)c(C)c1CN(CCC(=O)Nc1nccs1)C(C)C ZINC000065382490 472929999 /nfs/dbraw/zinc/92/99/99/472929999.db2.gz CRXXGQXWFACWEX-UHFFFAOYSA-N 0 3 335.477 2.733 50 0 EFAAHN C[C@@H]1CCCN(C(=O)CCNCc2ccc3c(c2)OCCCO3)C1 ZINC000065374685 472930045 /nfs/dbraw/zinc/93/00/45/472930045.db2.gz VMAFMXIEAJGBPT-OAHLLOKOSA-N 0 3 332.444 2.586 50 0 EFAAHN CCc1cc(NC2CCN(Cc3cccnc3)CC2)nc(N(C)C)n1 ZINC000065380348 472930459 /nfs/dbraw/zinc/93/04/59/472930459.db2.gz IXNHMWMSNVIJMV-UHFFFAOYSA-N 0 3 340.475 2.577 50 0 EFAAHN O=C(COc1ccccc1)NCC1=CCCN([C@@H]2C=CCCC2)C1 ZINC000065393604 472932960 /nfs/dbraw/zinc/93/29/60/472932960.db2.gz WQGMWPRWMXYMSQ-GOSISDBHSA-N 0 3 326.440 2.922 50 0 EFAAHN Cc1cc(C)n(C[C@H](C)NCC(=O)N2CCCc3cc(C)ccc32)n1 ZINC000065398820 472934369 /nfs/dbraw/zinc/93/43/69/472934369.db2.gz ZDYAFLXXOHKELV-INIZCTEOSA-N 0 3 340.471 2.766 50 0 EFAAHN Cc1cccn2c(CNCCC(=O)NCc3cccs3)cnc12 ZINC000065470408 472950477 /nfs/dbraw/zinc/95/04/77/472950477.db2.gz HMKOBJAAXZLEFZ-UHFFFAOYSA-N 0 3 328.441 2.500 50 0 EFAAHN CC(C)CC(=O)N1CCN(CC2=CCCN([C@H]3C=CCCC3)C2)CC1 ZINC000065492591 472955787 /nfs/dbraw/zinc/95/57/87/472955787.db2.gz KIXFLBMZGNPFMB-FQEVSTJZSA-N 0 3 345.531 2.918 50 0 EFAAHN c1ccc(NC[C@@H]2CCN(Cc3cccc4c3OCCO4)C2)nc1 ZINC000065520786 472964199 /nfs/dbraw/zinc/96/41/99/472964199.db2.gz JUDINGFVEFRYSM-HNNXBMFYSA-N 0 3 325.412 2.787 50 0 EFAAHN O[C@H]1CN(Cc2ccccc2)CCN(c2nccc3ccccc32)C1 ZINC000108269945 473009566 /nfs/dbraw/zinc/00/95/66/473009566.db2.gz FDCBXKCZFKBHHT-IBGZPJMESA-N 0 3 333.435 2.918 50 0 EFAAHN Cn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000095352723 473190753 /nfs/dbraw/zinc/19/07/53/473190753.db2.gz LUBSBJGMOSPMTO-FUHWJXTLSA-N 0 3 328.435 2.656 50 0 EFAAHN Cc1ccoc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192218361 473650706 /nfs/dbraw/zinc/65/07/06/473650706.db2.gz LYHJVLFMPNTIRV-KRWDZBQOSA-N 0 3 328.412 2.609 50 0 EFAAHN Cc1ncsc1CCN(C)CCN1CCN(c2ccccc2)CC1 ZINC000172597159 473654250 /nfs/dbraw/zinc/65/42/50/473654250.db2.gz UWHPOIKFKPTMAZ-UHFFFAOYSA-N 0 3 344.528 2.748 50 0 EFAAHN CN1CCC(N2CCN(Cc3cc(F)ccc3Cl)CC2)CC1 ZINC000215942318 474139609 /nfs/dbraw/zinc/13/96/09/474139609.db2.gz KDSFELICDZANKL-UHFFFAOYSA-N 0 3 325.859 2.691 50 0 EFAAHN CC(C)(C)c1cc(CNC(=O)C2CCN(Cc3ccco3)CC2)[nH]n1 ZINC000221206230 474160263 /nfs/dbraw/zinc/16/02/63/474160263.db2.gz WPHBSBCMGDGWTA-UHFFFAOYSA-N 0 3 344.459 2.829 50 0 EFAAHN COc1ccc(C)cc1[C@H](O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000222199958 474166196 /nfs/dbraw/zinc/16/61/96/474166196.db2.gz URJFYLVZTGSTDM-FUHWJXTLSA-N 0 3 341.455 2.866 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/nfs/dbraw/zinc/25/70/74/216257074.db2.gz AIOOCOCKVIPIPG-UHFFFAOYSA-N 0 3 340.471 2.512 50 0 EFAAHN CC(C)c1nccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000072478433 216257593 /nfs/dbraw/zinc/25/75/93/216257593.db2.gz MQTIQMXFMNSGID-IYBDPMFKSA-N 0 3 332.492 2.674 50 0 EFAAHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(c2ccnn2CCO)CC1 ZINC000058298975 201140984 /nfs/dbraw/zinc/14/09/84/201140984.db2.gz HKJPHUTUMOTLJF-APWZRJJASA-N 0 3 335.492 2.650 50 0 EFAAHN O=C(CCN1CCC(c2cc[nH]n2)CC1)NCc1ccccc1Cl ZINC000058218591 201142195 /nfs/dbraw/zinc/14/21/95/201142195.db2.gz AJXJEEVPFRHQRW-UHFFFAOYSA-N 0 3 346.862 2.949 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1cc(Br)cs1)CC2 ZINC000065542859 201155598 /nfs/dbraw/zinc/15/55/98/201155598.db2.gz SFWJZTKEEZSJFH-JTQLQIEISA-N 0 3 327.251 2.515 50 0 EFAAHN CC[C@]1(C)C[C@](O)(CCNCc2ccc(OC)c(OC)c2)CCO1 ZINC000001774015 201358867 /nfs/dbraw/zinc/35/88/67/201358867.db2.gz LYWNZVLBDLLGAO-MOPGFXCFSA-N 0 3 337.460 2.894 50 0 biogenic EFAAHN Cc1ccnc(NC[C@@H]2CCN(Cc3ccc4c(c3)OC(=O)C4)C2)c1 ZINC000097200807 201382063 /nfs/dbraw/zinc/38/20/63/201382063.db2.gz CJQVEDDUMFKCGU-INIZCTEOSA-N 0 3 337.423 2.786 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1c[nH]nc1-c1cc3ccccc3o1)CC2 ZINC000097199373 201382274 /nfs/dbraw/zinc/38/22/74/201382274.db2.gz CCRMKQQKANBQNC-HNNXBMFYSA-N 0 3 348.410 2.827 50 0 EFAAHN CCc1nnc2n1C[C@@H](NCc1csc(Br)c1)CC2 ZINC000097199579 201382314 /nfs/dbraw/zinc/38/23/14/201382314.db2.gz DPBKSWTUZIMMEF-JTQLQIEISA-N 0 3 341.278 2.769 50 0 EFAAHN CCn1cc(C2CCN(C[C@@H](O)COCc3cccs3)CC2)cn1 ZINC000097200435 201382871 /nfs/dbraw/zinc/38/28/71/201382871.db2.gz OXHQKNDBSFWVQR-QGZVFWFLSA-N 0 3 349.500 2.722 50 0 EFAAHN CCc1nnc2n1C[C@@H](NCc1ccc(Br)s1)CC2 ZINC000097199595 201383331 /nfs/dbraw/zinc/38/33/31/201383331.db2.gz OAJACSNFLXIFPW-VIFPVBQESA-N 0 3 341.278 2.769 50 0 EFAAHN O[C@@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)c(F)c1 ZINC000097200705 201383417 /nfs/dbraw/zinc/38/34/17/201383417.db2.gz GFEUQYIYJZZJDC-GUYCJALGSA-N 0 3 333.382 2.827 50 0 EFAAHN Cc1nc(C)n(C[C@H](C)C(=O)N(CCN2CCCCCC2)C(C)C)n1 ZINC000055392768 202692496 /nfs/dbraw/zinc/69/24/96/202692496.db2.gz DMEIMTQRDOJDRS-INIZCTEOSA-N 0 3 349.523 2.644 50 0 EFAAHN COc1ccc(CCN(C)Cc2ccc(N(C)C)nc2)cc1OC ZINC000215042489 241102567 /nfs/dbraw/zinc/10/25/67/241102567.db2.gz FXHPROSOQYBYMO-UHFFFAOYSA-N 0 3 329.444 2.839 50 0 EFAAHN Cc1nc2ccccc2nc1CN1CCC(N2CCSCC2)CC1 ZINC000215226094 241113552 /nfs/dbraw/zinc/11/35/52/241113552.db2.gz RYDLEFBKLMVDHR-UHFFFAOYSA-N 0 3 342.512 2.951 50 0 EFAAHN COc1ccc(-c2ncc(CN(C)[C@@H]3CCCC[C@@H]3O)cn2)cc1 ZINC000215249741 241115506 /nfs/dbraw/zinc/11/55/06/241115506.db2.gz BDEPKNJGYSREPN-MSOLQXFVSA-N 0 3 327.428 2.888 50 0 EFAAHN Cc1nccc(C2CCN(CCn3c4ccccc4oc3=O)CC2)n1 ZINC000215883081 241154469 /nfs/dbraw/zinc/15/44/69/241154469.db2.gz ISHJRIJJLBYYSF-UHFFFAOYSA-N 0 3 338.411 2.573 50 0 EFAAHN Cc1nccn1CC[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000215944672 241157925 /nfs/dbraw/zinc/15/79/25/241157925.db2.gz KJKLNWBDOVYPJM-KRWDZBQOSA-N 0 3 349.438 2.965 50 0 EFAAHN Cc1cc(C)n2ncc(CN3CCCC[C@H]3CCn3cccn3)c2n1 ZINC000216138756 241168483 /nfs/dbraw/zinc/16/84/83/241168483.db2.gz HCHBZKDVILXZPJ-SFHVURJKSA-N 0 3 338.459 2.987 50 0 EFAAHN Cc1nc2c(c(C)n1)C[C@@H](CN(C)Cc1ccc3nsnc3c1)O2 ZINC000244708000 243064618 /nfs/dbraw/zinc/06/46/18/243064618.db2.gz KLRIYGRBIDLXOR-ZDUSSCGKSA-N 0 3 341.440 2.534 50 0 EFAAHN c1ccc(CN2CCCO[C@H](CN3CC(c4ccccn4)C3)C2)cc1 ZINC000244620007 243044273 /nfs/dbraw/zinc/04/42/73/243044273.db2.gz FKDXVESXZVKROR-FQEVSTJZSA-N 0 3 337.467 2.772 50 0 EFAAHN NC(=O)c1ccc(OCCCN2CCC[C@H]2c2ccccn2)cc1 ZINC000244641233 243049255 /nfs/dbraw/zinc/04/92/55/243049255.db2.gz GLUQDCFPUPATRW-SFHVURJKSA-N 0 3 325.412 2.787 50 0 EFAAHN CCn1nc(C)c([C@H](C)NC(=O)CSCCN2CCCC2)c1C ZINC000244646884 243050013 /nfs/dbraw/zinc/05/00/13/243050013.db2.gz GQUNTFYUTGUXMG-ZDUSSCGKSA-N 0 3 338.521 2.526 50 0 EFAAHN O=C(NCCN1CCC[C@@H](CO)C1)C1(c2ccccc2)CCCCC1 ZINC000244873369 243092772 /nfs/dbraw/zinc/09/27/72/243092772.db2.gz WOYJXXUXNXYKTN-GOSISDBHSA-N 0 3 344.499 2.709 50 0 EFAAHN O=C(CN1CCCCCCC1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244719173 243069233 /nfs/dbraw/zinc/06/92/33/243069233.db2.gz LYFYNBLIKGDRBF-UFYCRDLUSA-N 0 3 344.499 2.751 50 0 EFAAHN CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000020756503 212170124 /nfs/dbraw/zinc/17/01/24/212170124.db2.gz ZHDOMMQABWFEMM-JFQNMGATSA-N 0 3 346.515 2.938 50 0 biogenic EFAAHN Cc1cccc(OCCNCCn2ncc3ccccc3c2=O)c1C ZINC000065373728 202839594 /nfs/dbraw/zinc/83/95/94/202839594.db2.gz LKBSFDMWVIWPCC-UHFFFAOYSA-N 0 3 337.423 2.682 50 0 EFAAHN Cc1ccccc1N1CCC([NH2+][C@H]2C[C@H](c3cc(=O)[n-]cn3)C2)CC1 ZINC000253534784 244006171 /nfs/dbraw/zinc/00/61/71/244006171.db2.gz CSMIYYOLFDFSNZ-JCNLHEQBSA-N 0 3 338.455 2.995 50 0 EFAAHN Cc1c[nH]c(CN2CCC[C@@H](c3nnc4ccccn43)C2)c(C)c1=O ZINC000253537385 244015815 /nfs/dbraw/zinc/01/58/15/244015815.db2.gz TZHABTPLZBFWFP-OAHLLOKOSA-N 0 3 337.427 2.826 50 0 EFAAHN Cc1ccsc1CN(C(=O)c1n[nH]c2c1CN(C)CC2)C1CC1 ZINC000071499271 203098888 /nfs/dbraw/zinc/09/88/88/203098888.db2.gz DDCFDNXZIHXYBM-UHFFFAOYSA-N 0 3 330.457 2.572 50 0 EFAAHN CC(C)[C@H]1CN(C(=O)c2cc[nH]n2)CCCN1Cc1ccc(F)cc1 ZINC000071760434 203108960 /nfs/dbraw/zinc/10/89/60/203108960.db2.gz RPDJIRNPSJXSAM-GOSISDBHSA-N 0 3 344.434 2.922 50 0 EFAAHN CC(C)[C@H]1CN(C(=O)c2ccn[nH]2)CCCN1Cc1ccc(F)cc1 ZINC000071760434 203108963 /nfs/dbraw/zinc/10/89/63/203108963.db2.gz RPDJIRNPSJXSAM-GOSISDBHSA-N 0 3 344.434 2.922 50 0 EFAAHN CCn1c(=O)[nH]nc1CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000071759070 203109788 /nfs/dbraw/zinc/10/97/88/203109788.db2.gz CQGDPYSSTSTDCW-UHFFFAOYSA-N 0 3 340.427 2.792 50 0 EFAAHN CCN1CCN(C(C)(C)CNc2nc(C)cc(C3CCC3)n2)CC1 ZINC000071765411 203110708 /nfs/dbraw/zinc/11/07/08/203110708.db2.gz JYMJKAFLAMSSDB-UHFFFAOYSA-N 0 3 331.508 2.881 50 0 EFAAHN COc1ccccc1-n1cc(CN2CC(N3CCCC[C@H]3C)C2)cn1 ZINC000072133663 203166685 /nfs/dbraw/zinc/16/66/85/203166685.db2.gz VMARGXKQDOAXRE-MRXNPFEDSA-N 0 3 340.471 2.940 50 0 EFAAHN Cc1nnc(CN(CCc2ccccc2)C2CCN(C)CC2)s1 ZINC000072138958 203168044 /nfs/dbraw/zinc/16/80/44/203168044.db2.gz SPQIYZUHXDRNRM-UHFFFAOYSA-N 0 3 330.501 2.985 50 0 EFAAHN Cc1noc(C)c1CN(Cc1cccnc1)[C@@H]1CN2CCC1CC2 ZINC000072145347 203169363 /nfs/dbraw/zinc/16/93/63/203169363.db2.gz KHWXMEPNPMXQHF-LJQANCHMSA-N 0 3 326.444 2.783 50 0 EFAAHN Fc1cc(F)cc([C@@H]2CN(Cc3c[nH]cn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072148709 203171404 /nfs/dbraw/zinc/17/14/04/203171404.db2.gz RYJJYCCBKZXZAI-IPMKNSEASA-N 0 3 344.409 2.750 50 0 EFAAHN Fc1cc(F)cc([C@@H]2CN(Cc3cnc[nH]3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072148709 203171406 /nfs/dbraw/zinc/17/14/06/203171406.db2.gz RYJJYCCBKZXZAI-IPMKNSEASA-N 0 3 344.409 2.750 50 0 EFAAHN O=C(C1CCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072161179 203175964 /nfs/dbraw/zinc/17/59/64/203175964.db2.gz WOBYOBZKBOKYJG-IPMKNSEASA-N 0 3 326.440 2.581 50 0 EFAAHN COCCCN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072170077 203181437 /nfs/dbraw/zinc/18/14/37/203181437.db2.gz RHCQSFCCMSCGNL-KFKAGJAMSA-N 0 3 336.426 2.863 50 0 EFAAHN CN(C[C@@]1(C)CCN(C)C1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072448136 203227139 /nfs/dbraw/zinc/22/71/39/203227139.db2.gz DDJRMUGZIPQICQ-FQEVSTJZSA-N 0 3 332.488 2.804 50 0 EFAAHN CSc1cccc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1 ZINC000072467994 203229845 /nfs/dbraw/zinc/22/98/45/203229845.db2.gz UJXGALSKRNMXCP-UHFFFAOYSA-N 0 3 325.441 2.951 50 0 EFAAHN CC(C)CN1C(=O)CC[C@H]2CN(Cc3cccc4nonc43)CC[C@H]21 ZINC000072475172 203230409 /nfs/dbraw/zinc/23/04/09/203230409.db2.gz OJBPPVTYCDYRNS-WMLDXEAASA-N 0 3 342.443 2.692 50 0 EFAAHN CN(CCC(=O)Nc1ccc(Cn2cncn2)cc1)Cc1ccccc1 ZINC000072406000 203215750 /nfs/dbraw/zinc/21/57/50/203215750.db2.gz NUTNQGPBFOQFAC-UHFFFAOYSA-N 0 3 349.438 2.787 50 0 EFAAHN Cc1ccc([C@@H]2CN(Cc3nccn3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072410591 203217092 /nfs/dbraw/zinc/21/70/92/203217092.db2.gz RMGUYRLXOIJRGC-CEWLAPEOSA-N 0 3 336.483 2.791 50 0 EFAAHN Cn1ncc2c1nc(C1CCCC1)nc2N[C@@H]1CN2CCC1CC2 ZINC000072418907 203218836 /nfs/dbraw/zinc/21/88/36/203218836.db2.gz DWJXMKRUKGAMEE-OAHLLOKOSA-N 0 3 326.448 2.527 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)c1ccnc3ccccc31)CCNC2 ZINC000072419330 203219070 /nfs/dbraw/zinc/21/90/70/203219070.db2.gz WDIZNEWBXSTANZ-UHFFFAOYSA-N 0 3 332.407 2.514 50 0 EFAAHN CSc1ccc(CC(=O)NCc2c(C)ncc3c2CCNC3)cc1 ZINC000072479834 203233105 /nfs/dbraw/zinc/23/31/05/203233105.db2.gz WRLPYDOCBYBYSN-UHFFFAOYSA-N 0 3 341.480 2.617 50 0 EFAAHN c1cn(-c2cccc(-c3cnco3)c2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072428308 203222680 /nfs/dbraw/zinc/22/26/80/203222680.db2.gz UKFZEZAUIXKURF-UHFFFAOYSA-N 0 3 346.394 2.884 50 0 EFAAHN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccncc2)C1 ZINC000072435939 203223829 /nfs/dbraw/zinc/22/38/29/203223829.db2.gz INXDKACUEVNVDU-MRXNPFEDSA-N 0 3 340.475 2.580 50 0 EFAAHN CC(C)c1noc(-c2ccc(NCCCN3CCC[C@H](O)C3)nc2)n1 ZINC000072436504 203223856 /nfs/dbraw/zinc/22/38/56/203223856.db2.gz AIFGGMHRZJHDBQ-HNNXBMFYSA-N 0 3 345.447 2.514 50 0 EFAAHN O=C1CC[C@H]2CN(c3ccncc3)CC[C@H]2N1CCc1ccccn1 ZINC000072438387 203224093 /nfs/dbraw/zinc/22/40/93/203224093.db2.gz VFYYXXFEQPGWLK-QFBILLFUSA-N 0 3 336.439 2.537 50 0 EFAAHN CC(C)c1noc(-c2ccc(NCCCN3CCC[C@@H](O)C3)nc2)n1 ZINC000072436506 203224274 /nfs/dbraw/zinc/22/42/74/203224274.db2.gz AIFGGMHRZJHDBQ-OAHLLOKOSA-N 0 3 345.447 2.514 50 0 EFAAHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccncc1 ZINC000075733977 203322486 /nfs/dbraw/zinc/32/24/86/203322486.db2.gz YQLYWCVFZMQRPL-QGZVFWFLSA-N 0 3 328.412 2.938 50 0 EFAAHN Cc1cc(C2CCC2)nc(N2CCC(CN3CCOCC3)CC2)n1 ZINC000077321971 203379528 /nfs/dbraw/zinc/37/95/28/203379528.db2.gz PAMRNSKVOFBECC-UHFFFAOYSA-N 0 3 330.476 2.601 50 0 EFAAHN CN(c1ncccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C1CCCCC1 ZINC000077338331 203381847 /nfs/dbraw/zinc/38/18/47/203381847.db2.gz GHXIDWNBTGMRKF-MAUKXSAKSA-N 0 3 342.487 2.627 50 0 EFAAHN c1ccc(CCN2CCN([C@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000077380180 203384475 /nfs/dbraw/zinc/38/44/75/203384475.db2.gz 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/nfs/dbraw/zinc/39/46/24/203394624.db2.gz QEEIHZNNJUDTTG-UHFFFAOYSA-N 0 3 329.469 2.898 50 0 EFAAHN C/C=C/CN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077539030 203395125 /nfs/dbraw/zinc/39/51/25/203395125.db2.gz RGDUAMKJBLWDGG-NUALSEBGSA-N 0 3 327.472 2.905 50 0 EFAAHN C[C@@H]1Cc2cc(NC(=O)N3CCN(c4ccncc4)CC3)ccc2O1 ZINC000095513141 203753478 /nfs/dbraw/zinc/75/34/78/203753478.db2.gz SIJQVZUDAXMLAI-CQSZACIVSA-N 0 3 338.411 2.759 50 0 EFAAHN C[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)c1ccccc1 ZINC000090728222 296165291 /nfs/dbraw/zinc/16/52/91/296165291.db2.gz HGOOISFRTZCVFQ-OIISXLGYSA-N 0 3 334.460 2.955 50 0 EFAAHN CCN(C)C(=O)CN1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216523299 284272824 /nfs/dbraw/zinc/27/28/24/284272824.db2.gz UOCXLAUURVHQSB-LJQANCHMSA-N 0 3 349.494 2.836 50 0 EFAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000000176523 206208437 /nfs/dbraw/zinc/20/84/37/206208437.db2.gz AKVSDAFSURZRKP-UHFFFAOYSA-N 0 3 338.835 2.944 50 0 EFAAHN 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0 3 346.471 2.928 50 0 EFAAHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000006454935 471546319 /nfs/dbraw/zinc/54/63/19/471546319.db2.gz OXWXXMDTFPNWGG-KSSFIOAISA-N 0 3 328.412 2.736 50 0 EFAAHN COc1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008700905 471698153 /nfs/dbraw/zinc/69/81/53/471698153.db2.gz HXCZNAYSIOTCQJ-UHFFFAOYSA-N 0 3 329.444 2.783 50 0 EFAAHN CC1CCN(CCCNS(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000010541033 471737823 /nfs/dbraw/zinc/73/78/23/471737823.db2.gz QSMYTYYDFSZMBR-UHFFFAOYSA-N 0 3 344.908 2.881 50 0 EFAAHN Cc1cccc(CS(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000010544105 471737938 /nfs/dbraw/zinc/73/79/38/471737938.db2.gz MQDBBNVZCOLONI-IRXDYDNUSA-N 0 3 338.517 2.782 50 0 EFAAHN CCOC(=O)C1(Cc2cccc(F)c2)CCN(CC[C@H](C)O)CC1 ZINC000011817020 471760220 /nfs/dbraw/zinc/76/02/20/471760220.db2.gz CORGUDWUKDRQDV-HNNXBMFYSA-N 0 3 337.435 2.784 50 0 EFAAHN Cc1cccc(CNCCn2cc(C(=O)Nc3ccccc3)nn2)c1 ZINC000012028299 471762717 /nfs/dbraw/zinc/76/27/17/471762717.db2.gz VGVJFVUSDRNLAW-UHFFFAOYSA-N 0 3 335.411 2.629 50 0 EFAAHN CC(=O)CCC(=O)N(CCc1ccccc1)C[C@H]1CCCN(C)C1 ZINC000012091019 471763333 /nfs/dbraw/zinc/76/33/33/471763333.db2.gz FTHZHHPGXKKEBX-IBGZPJMESA-N 0 3 330.472 2.769 50 0 EFAAHN Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCCN(C)C)c12 ZINC000012128682 471765072 /nfs/dbraw/zinc/76/50/72/471765072.db2.gz KENOXJTYCMARGX-UHFFFAOYSA-N 0 3 349.504 2.701 50 0 EFAAHN CN1C[C@@H]2C[C@@H](C3=Cc4cc(Cl)ccc4OC3)N3CCC[C@@]23C1=O ZINC000012197116 471768141 /nfs/dbraw/zinc/76/81/41/471768141.db2.gz DZUWPBLNZRJMJU-QOKNQOGYSA-N 0 3 344.842 2.811 50 0 EFAAHN Cc1ncc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)[nH]1 ZINC000012299900 471770349 /nfs/dbraw/zinc/77/03/49/471770349.db2.gz WTJGVKWGVXAQPI-UHFFFAOYSA-N 0 3 344.463 2.736 50 0 EFAAHN CCCCN(C)C(=O)c1sc2ncnc(NCCN(C)C)c2c1C ZINC000012279602 471770991 /nfs/dbraw/zinc/77/09/91/471770991.db2.gz UTDLBZFHOQDENC-UHFFFAOYSA-N 0 3 349.504 2.845 50 0 EFAAHN COc1ccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000012363343 471773852 /nfs/dbraw/zinc/77/38/52/471773852.db2.gz VIUNDWBJIPFQCY-IYBDPMFKSA-N 0 3 348.487 2.777 50 0 EFAAHN Cc1c(C)n(C[C@H](O)CN2CCC(O)CC2)c2c1cccc2Cl ZINC000012421937 471774755 /nfs/dbraw/zinc/77/47/55/471774755.db2.gz MXZWVNSNAQIQJO-OAHLLOKOSA-N 0 3 336.863 2.729 50 0 EFAAHN COc1ccc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc1OC ZINC000012440584 471775592 /nfs/dbraw/zinc/77/55/92/471775592.db2.gz PNPNKQHUUSAIRM-OAHLLOKOSA-N 0 3 346.471 2.975 50 0 EFAAHN CN(C[C@@H]1CCCN1C)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012571582 471783141 /nfs/dbraw/zinc/78/31/41/471783141.db2.gz SXEZPMMBSHGQFH-AWEZNQCLSA-N 0 3 347.390 2.559 50 0 EFAAHN Cc1ccccc1-n1cc(CN[C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000012594177 471783886 /nfs/dbraw/zinc/78/38/86/471783886.db2.gz BGLQEDPAFGZRAV-GOSISDBHSA-N 0 3 348.454 2.729 50 0 EFAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)c(OC)c1 ZINC000012701817 471790284 /nfs/dbraw/zinc/79/02/84/471790284.db2.gz ACWKVZRRZMJEOA-CQSZACIVSA-N 0 3 333.428 2.778 50 0 EFAAHN COCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012715821 471791847 /nfs/dbraw/zinc/79/18/47/471791847.db2.gz CMSLLNPJULFVEX-LJQANCHMSA-N 0 3 334.435 2.677 50 0 EFAAHN Cc1ocnc1C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012836913 471800269 /nfs/dbraw/zinc/80/02/69/471800269.db2.gz IIQHJUWWWUTVBC-KRWDZBQOSA-N 0 3 327.428 2.810 50 0 EFAAHN O=C(c1cccnc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013323637 471826309 /nfs/dbraw/zinc/82/63/09/471826309.db2.gz VFCGZEFFMRUDBR-UHFFFAOYSA-N 0 3 325.456 2.808 50 0 EFAAHN O=C(COc1ccc(F)cc1F)N1CCN(C2CCCCC2)CC1 ZINC000013324288 471826632 /nfs/dbraw/zinc/82/66/32/471826632.db2.gz RLLKKJGCWCBRGQ-UHFFFAOYSA-N 0 3 338.398 2.821 50 0 EFAAHN O=C(NCCCn1ccnc1)c1ccc(CN2CCCCC2)cc1 ZINC000013681838 471837052 /nfs/dbraw/zinc/83/70/52/471837052.db2.gz OUODXKGXRZMENO-UHFFFAOYSA-N 0 3 326.444 2.689 50 0 EFAAHN CN1CCC(NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000013775547 471843269 /nfs/dbraw/zinc/84/32/69/471843269.db2.gz JWLJSLCCRTYFDZ-UHFFFAOYSA-N 0 3 328.279 2.830 50 0 EFAAHN O=C1CC[C@H](CCNCc2cccnc2)N1CCc1ccc(F)cc1 ZINC000014889069 471880245 /nfs/dbraw/zinc/88/02/45/471880245.db2.gz UCWYNHUUCATDOQ-LJQANCHMSA-N 0 3 341.430 2.934 50 0 EFAAHN COc1ccc(CCN2C[C@H](NCc3ccc(F)cc3)CC2=O)cc1 ZINC000014949588 471882888 /nfs/dbraw/zinc/88/28/88/471882888.db2.gz QGTVIHWKCWBVNB-GOSISDBHSA-N 0 3 342.414 2.768 50 0 EFAAHN COc1ccc(CN[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 ZINC000014966556 471882994 /nfs/dbraw/zinc/88/29/94/471882994.db2.gz OYYGODPEOPUCHV-SFHVURJKSA-N 0 3 342.414 2.768 50 0 EFAAHN COC[C@@H]1CCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 ZINC000014968366 471884689 /nfs/dbraw/zinc/88/46/89/471884689.db2.gz OATANQXEOREMOU-QGZVFWFLSA-N 0 3 342.483 2.505 50 0 EFAAHN O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1cccc(F)c1 ZINC000015067182 471888202 /nfs/dbraw/zinc/88/82/02/471888202.db2.gz HMPQLKMONBFBBV-HXUWFJFHSA-N 0 3 348.462 2.849 50 0 EFAAHN CN1CCC(N2CCC[C@@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075475 471888548 /nfs/dbraw/zinc/88/85/48/471888548.db2.gz LVGYOBHBGKISPP-SQFNAUOLSA-N 0 3 345.462 2.672 50 0 EFAAHN COCCNC(=O)CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000015075164 471889096 /nfs/dbraw/zinc/88/90/96/471889096.db2.gz ZVMZJOZEOQQHQH-UHFFFAOYSA-N 0 3 346.471 2.644 50 0 EFAAHN CCCN1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000016580720 471941982 /nfs/dbraw/zinc/94/19/82/471941982.db2.gz MOEQMYAVXQNEPD-UHFFFAOYSA-N 0 3 336.304 2.986 50 0 EFAAHN COc1ccccc1OCCNCC(=O)N[C@H](C)c1ccccc1C ZINC000016695500 471947835 /nfs/dbraw/zinc/94/78/35/471947835.db2.gz RHYSFNVEHAXSQU-MRXNPFEDSA-N 0 3 342.439 2.849 50 0 EFAAHN CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618233 471992866 /nfs/dbraw/zinc/99/28/66/471992866.db2.gz LFDSZBZPFOTAFO-ZDUSSCGKSA-N 0 3 332.473 2.735 50 0 EFAAHN CC[C@H]1CCCC[N@H+]1CCCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618233 471992872 /nfs/dbraw/zinc/99/28/72/471992872.db2.gz LFDSZBZPFOTAFO-ZDUSSCGKSA-N 0 3 332.473 2.735 50 0 EFAAHN Cc1cccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)n1 ZINC000039363284 472023485 /nfs/dbraw/zinc/02/34/85/472023485.db2.gz WVURIEYFLRZSOD-OAQYLSRUSA-N 0 3 339.483 2.501 50 0 EFAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc(Cl)c2)CN1C(C)C ZINC000039543494 472024828 /nfs/dbraw/zinc/02/48/28/472024828.db2.gz ZMQHQRHDNPYIQU-SJORKVTESA-N 0 3 337.895 2.806 50 0 EFAAHN CCn1nc(C)c(CN2CCC[C@@H](CNC(=O)C=C(C)C)C2)c1C ZINC000067540756 472046824 /nfs/dbraw/zinc/04/68/24/472046824.db2.gz PNBMHLGVCMMFOQ-KRWDZBQOSA-N 0 3 332.492 2.814 50 0 EFAAHN Oc1cccc(-c2cn(CC3(N4CCOCC4)CCCCC3)nn2)c1 ZINC000067604856 472057521 /nfs/dbraw/zinc/05/75/21/472057521.db2.gz MVXLITZDHUBOHL-UHFFFAOYSA-N 0 3 342.443 2.686 50 0 EFAAHN CC[C@@H](NCCc1[nH]nc2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673829 472068889 /nfs/dbraw/zinc/06/88/89/472068889.db2.gz QSXMONUNMBUVIG-MRXNPFEDSA-N 0 3 326.444 2.838 50 0 EFAAHN CC[C@@H](NCCc1n[nH]c2c1CCCC2)C(=O)Nc1ccccc1 ZINC000067673829 472068894 /nfs/dbraw/zinc/06/88/94/472068894.db2.gz QSXMONUNMBUVIG-MRXNPFEDSA-N 0 3 326.444 2.838 50 0 EFAAHN CCC[C@@H]1CCCN1C(=O)c1cnn2cc(CN(CC)CC)cnc12 ZINC000067675044 472069517 /nfs/dbraw/zinc/06/95/17/472069517.db2.gz ZGMUBTZROSVPKX-MRXNPFEDSA-N 0 3 343.475 2.976 50 0 EFAAHN Cc1ccc(C)c(CC(=O)NC[C@H]2CCN(Cc3ccncc3)C2)c1 ZINC000067690517 472073115 /nfs/dbraw/zinc/07/31/15/472073115.db2.gz ZGLKDQREYJXUTN-LJQANCHMSA-N 0 3 337.467 2.879 50 0 EFAAHN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C(C)(C)N)CC2)c1 ZINC000067691543 472073261 /nfs/dbraw/zinc/07/32/61/472073261.db2.gz YBIWXWBKTVSOPC-UHFFFAOYSA-N 0 3 326.444 2.828 50 0 EFAAHN C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000067714159 472078252 /nfs/dbraw/zinc/07/82/52/472078252.db2.gz IUHWCKHDTSXDSE-GUNGLEHYSA-N 0 3 331.441 2.891 50 0 EFAAHN COC(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067758295 472084943 /nfs/dbraw/zinc/08/49/43/472084943.db2.gz GFUCRLIBXDURLP-AWEZNQCLSA-N 0 3 329.444 2.531 50 0 EFAAHN O=C(Cn1cccc1)NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067757602 472085368 /nfs/dbraw/zinc/08/53/68/472085368.db2.gz XWZOIDVQZMIVLU-MRXNPFEDSA-N 0 3 336.439 2.608 50 0 EFAAHN CCc1nn(C)c(Cl)c1CN1CCC(N2CCSCC2)CC1 ZINC000067805168 472092066 /nfs/dbraw/zinc/09/20/66/472092066.db2.gz LUKVZMIITYKGOB-UHFFFAOYSA-N 0 3 342.940 2.649 50 0 EFAAHN COc1ccc(C2(C(=O)NC[C@H]3CCCN(C)C3)CCCC2)cc1 ZINC000067820503 472094099 /nfs/dbraw/zinc/09/40/99/472094099.db2.gz XQGAFWOANQJDKM-MRXNPFEDSA-N 0 3 330.472 2.965 50 0 EFAAHN Cc1noc(C)c1CN[C@@H](C)COc1ccc2ccc(=O)oc2c1 ZINC000067822087 472094690 /nfs/dbraw/zinc/09/46/90/472094690.db2.gz MDEJNEDRAFUPFB-NSHDSACASA-N 0 3 328.368 2.955 50 0 EFAAHN CCOc1ccc2[nH]c(=O)c(CN(C)C[C@H]3CCCCO3)cc2c1 ZINC000067833401 472095648 /nfs/dbraw/zinc/09/56/48/472095648.db2.gz RDKSGNAEBYLEGK-QGZVFWFLSA-N 0 3 330.428 2.928 50 0 EFAAHN CC(C)[C@@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067847336 472097466 /nfs/dbraw/zinc/09/74/66/472097466.db2.gz NHMUDOZZCLATCS-OAHLLOKOSA-N 0 3 335.354 2.752 50 0 EFAAHN c1ccc(OCCNc2nc(-c3ccncc3)nc3c2CCNC3)cc1 ZINC000067850129 472097881 /nfs/dbraw/zinc/09/78/81/472097881.db2.gz MNRGYKNOQGTCFH-UHFFFAOYSA-N 0 3 347.422 2.675 50 0 EFAAHN CN1CCC(Cc2noc(-c3cnn(Cc4ccccc4)c3)n2)CC1 ZINC000067856471 472098579 /nfs/dbraw/zinc/09/85/79/472098579.db2.gz ICXAHTHVMUTWLF-UHFFFAOYSA-N 0 3 337.427 2.866 50 0 EFAAHN Cc1[nH]nc(CN2CC[C@H](CNC(=O)c3cccc(C)c3)C2)c1Cl ZINC000067850425 472098619 /nfs/dbraw/zinc/09/86/19/472098619.db2.gz AABHHAZMPWWPES-CQSZACIVSA-N 0 3 346.862 2.932 50 0 EFAAHN Cc1cc(C)nc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1 ZINC000067878841 472103418 /nfs/dbraw/zinc/10/34/18/472103418.db2.gz QLSGGTOFXLDVJG-UHFFFAOYSA-N 0 3 346.438 2.808 50 0 EFAAHN COc1ccccc1CN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067909103 472108712 /nfs/dbraw/zinc/10/87/12/472108712.db2.gz HQWHNUCUIUZSOV-DLBZAZTESA-N 0 3 341.407 2.774 50 0 EFAAHN CN1CCC(Cc2noc(-c3cccc(Cn4cccn4)c3)n2)CC1 ZINC000067920603 472109368 /nfs/dbraw/zinc/10/93/68/472109368.db2.gz DTIHYHHQKOZXCQ-UHFFFAOYSA-N 0 3 337.427 2.866 50 0 EFAAHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](CCNS(C)(=O)=O)C1 ZINC000067947487 472113367 /nfs/dbraw/zinc/11/33/67/472113367.db2.gz QPTDZAIAHACBQH-OAHLLOKOSA-N 0 3 349.500 2.628 50 0 EFAAHN CC(=O)NCCC1=CCN(CCc2nc3cc(C)ccc3[nH]2)CC1 ZINC000067947994 472113431 /nfs/dbraw/zinc/11/34/31/472113431.db2.gz ILFDGGTUIVDHHK-UHFFFAOYSA-N 0 3 326.444 2.572 50 0 EFAAHN CC(=O)NCCC1=CCN(CCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000067947994 472113433 /nfs/dbraw/zinc/11/34/33/472113433.db2.gz ILFDGGTUIVDHHK-UHFFFAOYSA-N 0 3 326.444 2.572 50 0 EFAAHN COc1ccc2c(c1)C[C@@H](c1nc(CC3CCN(C)CC3)no1)CO2 ZINC000067947663 472113524 /nfs/dbraw/zinc/11/35/24/472113524.db2.gz OUTCDOAHSOSGLO-OAHLLOKOSA-N 0 3 343.427 2.681 50 0 EFAAHN O=C(NC[C@H]1CCN(Cc2ccccn2)C1)Nc1ccc(F)cc1 ZINC000067973777 472118855 /nfs/dbraw/zinc/11/88/55/472118855.db2.gz YGSGJLDOWFPDPO-CQSZACIVSA-N 0 3 328.391 2.864 50 0 EFAAHN CCC(=O)NCC1CCN(CC2=Cc3cc(OC)ccc3OC2)CC1 ZINC000067975414 472119041 /nfs/dbraw/zinc/11/90/41/472119041.db2.gz KODNVHABZSKRRC-UHFFFAOYSA-N 0 3 344.455 2.709 50 0 EFAAHN COc1ccccc1/C=C/CN1CCC(n2cc([C@@H](C)O)nn2)CC1 ZINC000055060696 472136149 /nfs/dbraw/zinc/13/61/49/472136149.db2.gz ANIHGMGMVUSZNU-KEDPEKRHSA-N 0 3 342.443 2.690 50 0 EFAAHN CCc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2C=CCN2)c1 ZINC000055061022 472137036 /nfs/dbraw/zinc/13/70/36/472137036.db2.gz INIRSAHJAVPRQO-GOSISDBHSA-N 0 3 335.407 2.968 50 0 EFAAHN O=C(NCCc1ccccc1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473232 472253399 /nfs/dbraw/zinc/25/33/99/472253399.db2.gz OPKPXGMOWUCBQW-GOSISDBHSA-N 0 3 347.528 2.842 50 0 EFAAHN O=C(C[C@H]1CNCCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000097009892 472406446 /nfs/dbraw/zinc/40/64/46/472406446.db2.gz HSIHWNYIZBFJJG-IBGZPJMESA-N 0 3 338.451 2.703 50 0 EFAAHN Cc1ccc(-c2cccc(C(=O)NCCN3CCCC[C@@H]3CO)c2)o1 ZINC000097527807 472499682 /nfs/dbraw/zinc/49/96/82/472499682.db2.gz PBNMKURGFMZHNR-GOSISDBHSA-N 0 3 342.439 2.832 50 0 EFAAHN Cc1ccc([C@H](C)CCN2CCN(c3ncnc4nc[nH]c43)CC2)o1 ZINC000097551385 472499959 /nfs/dbraw/zinc/49/99/59/472499959.db2.gz PRRCXNQXEWKMBT-CYBMUJFWSA-N 0 3 340.431 2.570 50 0 EFAAHN Cc1ccc([C@H](C)CCN2CCN(c3ncnc4[nH]cnc43)CC2)o1 ZINC000097551385 472499964 /nfs/dbraw/zinc/49/99/64/472499964.db2.gz PRRCXNQXEWKMBT-CYBMUJFWSA-N 0 3 340.431 2.570 50 0 EFAAHN OC1(Cn2ccnc2)CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000097568987 472501776 /nfs/dbraw/zinc/50/17/76/472501776.db2.gz AADXLYNYNVTUOR-MRXNPFEDSA-N 0 3 347.484 2.823 50 0 EFAAHN C[C@@H](Cc1cnccn1)N(C)Cc1cc(F)ccc1-n1cccn1 ZINC000097813688 472507863 /nfs/dbraw/zinc/50/78/63/472507863.db2.gz UKUQWOZEQRKNQS-AWEZNQCLSA-N 0 3 325.391 2.864 50 0 EFAAHN CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1nn(C)c2c1CCCC2 ZINC000097797587 472507912 /nfs/dbraw/zinc/50/79/12/472507912.db2.gz JGOCXKKAGIBXHC-GOSISDBHSA-N 0 3 340.471 2.674 50 0 EFAAHN Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000077556141 472555573 /nfs/dbraw/zinc/55/55/73/472555573.db2.gz XJZDTWKMNCSSQS-MAUKXSAKSA-N 0 3 340.423 2.943 50 0 EFAAHN Cc1cccc(N2CCC(N3CC[C@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072454139 472665162 /nfs/dbraw/zinc/66/51/62/472665162.db2.gz PHIRRUKSVXPPSB-FQEVSTJZSA-N 0 3 343.471 2.799 50 0 EFAAHN CC(C)CN1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO ZINC000104837818 472697055 /nfs/dbraw/zinc/69/70/55/472697055.db2.gz NZDYMXSHWJOHML-LJQANCHMSA-N 0 3 348.535 2.982 50 0 EFAAHN COCCN1CC[C@@H](CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000062373097 472736061 /nfs/dbraw/zinc/73/60/61/472736061.db2.gz OUFVFKHZUGVXLJ-NSHDSACASA-N 0 3 329.803 2.569 50 0 EFAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)NC(C)C)C2)cc1 ZINC000091270555 472750948 /nfs/dbraw/zinc/75/09/48/472750948.db2.gz GAKUBRLYQMWKNH-DLBZAZTESA-N 0 3 331.460 2.709 50 0 EFAAHN COc1ccnc(CN2C[C@H]3CC[C@H](CN3CC3CCC3)C2)c1OC ZINC000091289354 472752657 /nfs/dbraw/zinc/75/26/57/472752657.db2.gz FOYJRTIALNGFIE-DLBZAZTESA-N 0 3 345.487 2.795 50 0 EFAAHN COCC[C@@]1(CO)CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000091382124 472763271 /nfs/dbraw/zinc/76/32/71/472763271.db2.gz DXTUNVUBBJTGJS-KRWDZBQOSA-N 0 3 327.852 2.830 50 0 EFAAHN COCCN1CCC(CN2C[C@@](C)(c3ccccc3)CCC2=O)CC1 ZINC000091381888 472763315 /nfs/dbraw/zinc/76/33/15/472763315.db2.gz ZXKWIHBMKMDMCM-NRFANRHFSA-N 0 3 344.499 2.925 50 0 EFAAHN CN1CCCCC[C@H]1C(=O)NCCCN1CCCc2ccccc21 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c1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000534673453 478169022 /nfs/dbraw/zinc/16/90/22/478169022.db2.gz LDIFWNWYDYCCEX-UHFFFAOYSA-N 0 3 334.427 2.625 50 0 EFAAHN C[C@H](CCC(=O)N1CCC2(C1)CCCCCC2)N1CCN(C)CC1 ZINC000584885849 479271336 /nfs/dbraw/zinc/27/13/36/479271336.db2.gz SPFDBBOJELBAKE-GOSISDBHSA-N 0 3 335.536 2.975 50 0 EFAAHN CC(C)N1CCC[C@@H]1CNC(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000584898327 479275000 /nfs/dbraw/zinc/27/50/00/479275000.db2.gz SKLLYVNHXJBMKB-OAHLLOKOSA-N 0 3 347.507 2.693 50 0 EFAAHN c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2 ZINC000000016050 526501577 /nfs/dbraw/zinc/50/15/77/526501577.db2.gz QJPPEMXOOWNICQ-UHFFFAOYSA-N 0 3 336.435 2.747 50 0 in-vitro EFAAHN COc1cccc2c1OCCCN(CCC(=O)Nc1cccnc1)C2 ZINC000244695636 536960598 /nfs/dbraw/zinc/96/05/98/536960598.db2.gz JPRMVXUETHSJLK-UHFFFAOYSA-N 0 3 341.411 2.704 50 0 EFAAHN CC[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)N(C)C ZINC000670420463 547487334 /nfs/dbraw/zinc/48/73/34/547487334.db2.gz 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/nfs/dbraw/zinc/29/98/29/1249299829.db2.gz UFOQGRFSPDVCAP-UHFFFAOYSA-N 0 3 328.460 2.979 50 0 EFAAHN COc1ccc2[nH]c([C@@H]3C[C@H]4CN(C)C(=O)[C@]45CCCN35)c(C)c2c1 ZINC000011662226 1262929048 /nfs/dbraw/zinc/92/90/48/1262929048.db2.gz ZRVGRERLIIOXLG-ROOHIHILSA-N 0 3 339.439 2.853 50 0 EFAAHN COc1cccc(C[C@]2(CO)CCCN(Cc3ccncc3)C2)c1 ZINC000011821470 1264036327 /nfs/dbraw/zinc/03/63/27/1264036327.db2.gz SNEPAIGLXWYJES-HXUWFJFHSA-N 0 3 326.440 2.907 50 0 EFAAHN CC[C@H](C)Oc1ccccc1CN1CCC(c2nc(N)n[nH]2)CC1 ZINC000822645476 1265109955 /nfs/dbraw/zinc/10/99/55/1265109955.db2.gz NTNWYZQGGUCNSU-ZDUSSCGKSA-N 0 3 329.448 2.944 50 0 EFAAHN COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(CO)o3)C2)c1 ZINC000012612609 1265340898 /nfs/dbraw/zinc/34/08/98/1265340898.db2.gz YCJNLUSZLGMRDW-HXUWFJFHSA-N 0 3 345.439 2.598 50 0 EFAAHN Cc1noc(C)c1CC(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000827846868 1267502263 /nfs/dbraw/zinc/50/22/63/1267502263.db2.gz DLLQJLBHRUGRIN-HNNXBMFYSA-N 0 3 347.484 2.924 50 0 EFAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C)nc(C)n2)cc1 ZINC000952872618 1284897018 /nfs/dbraw/zinc/89/70/18/1284897018.db2.gz ATVCBUCFWSAXLX-UHFFFAOYSA-N 0 3 326.444 2.606 50 0 EFAAHN OC[C@@H]1CCCN(CCNCc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000952963894 1284923250 /nfs/dbraw/zinc/92/32/50/1284923250.db2.gz AJQURVGFKLNUJT-CQSZACIVSA-N 0 3 349.475 2.743 50 0 EFAAHN Cc1ccc([C@@H](CNC(=O)c2cc(C(C)C)nc(N)n2)N(C)C)cc1 ZINC000952977256 1284951287 /nfs/dbraw/zinc/95/12/87/1284951287.db2.gz XNEFGLIBDVVBNS-QGZVFWFLSA-N 0 3 341.459 2.523 50 0 EFAAHN CCN(CCN1CCCC1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000952983653 1284981153 /nfs/dbraw/zinc/98/11/53/1284981153.db2.gz UNHWYLZAZBMJTQ-UHFFFAOYSA-N 0 3 330.881 2.588 50 0 EFAAHN O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1ccc(Cl)s1 ZINC000055327649 1314980734 /nfs/dbraw/zinc/98/07/34/1314980734.db2.gz ZLLMVMOQTYHFMD-INIZCTEOSA-N 0 3 342.892 2.645 50 0 EFAAHN COc1ccc(OCCC[N@@H+]2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC001506407419 1405754042 /nfs/dbraw/zinc/75/40/42/1405754042.db2.gz RXXBVSLAOSDBLQ-HNNXBMFYSA-N 0 3 343.427 2.839 50 0 EFAAHN COc1ccc(OCCC[N@H+]2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC001506407419 1405754049 /nfs/dbraw/zinc/75/40/49/1405754049.db2.gz RXXBVSLAOSDBLQ-HNNXBMFYSA-N 0 3 343.427 2.839 50 0 EFAAHN O=c1cc([C@H]2CCCN(Cc3cc(-c4cccnc4)no3)C2)nc[nH]1 ZINC001506406961 1405754282 /nfs/dbraw/zinc/75/42/82/1405754282.db2.gz HUZXBEBAECJMLU-AWEZNQCLSA-N 0 3 337.383 2.612 50 0 EFAAHN CN1CCC[C@]2(CO)CCN(Cc3c(Cl)cncc3Cl)C[C@@H]12 ZINC001704300966 1417901144 /nfs/dbraw/zinc/90/11/44/1417901144.db2.gz DCZZCYGUZBABRG-HZPDHXFCSA-N 0 3 344.286 2.667 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1ccccc1Cl ZINC001704310000 1417903282 /nfs/dbraw/zinc/90/32/82/1417903282.db2.gz VRCFVSYBLZFBPT-UHFFFAOYSA-N 0 3 348.878 2.895 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(F)c(Cl)c1 ZINC001704315385 1417905870 /nfs/dbraw/zinc/90/58/70/1417905870.db2.gz BMVUCKWPWAIMNK-UHFFFAOYSA-N 0 3 338.814 2.715 50 0 EFAAHN COc1ccc2c(c1)CCOC21CCN(Cc2cnn(C)c2C)CC1 ZINC001704339883 1417911130 /nfs/dbraw/zinc/91/11/30/1417911130.db2.gz PLIPPYVKWRYTSQ-UHFFFAOYSA-N 0 3 341.455 2.801 50 0 EFAAHN O=C1C2[C@H](C(=O)N1c1ccc(Br)cc1)N2c1ccccc1 ZINC000100703415 716009564 /nfs/dbraw/zinc/00/95/64/716009564.db2.gz PIGIWMNFDNNSGO-ZIAGYGMSSA-N 0 3 343.180 2.580 50 0 EFAAHN COc1ccccc1/C=C/CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010355 717704274 /nfs/dbraw/zinc/70/42/74/717704274.db2.gz QPZSBZGRUIMOFW-XNSJLZHBSA-N 0 3 336.435 2.989 50 0 EFAAHN O=C(c1sccc1Cl)N1CCCN(C[C@@H]2CCCOC2)CC1 ZINC000981219341 718511179 /nfs/dbraw/zinc/51/11/79/718511179.db2.gz KKYWNKPYFYWXCJ-ZDUSSCGKSA-N 0 3 342.892 2.976 50 0 EFAAHN c1ccc2cc(-c3ncc(C[NH2+]CCCc4nnn[n-]4)cn3)ccc2c1 ZINC000055165757 727907913 /nfs/dbraw/zinc/90/79/13/727907913.db2.gz IVEKCUYEKKMFHM-UHFFFAOYSA-N 0 3 345.410 2.532 50 0 EFAAHN c1ccc2cc(-c3ncc(C[NH2+]CCCc4nn[n-]n4)cn3)ccc2c1 ZINC000055165757 727907914 /nfs/dbraw/zinc/90/79/14/727907914.db2.gz IVEKCUYEKKMFHM-UHFFFAOYSA-N 0 3 345.410 2.532 50 0 EFAAHN CCCCCC(=O)O[C@H](CN1CCCC1=O)CN1CCCCCC1 ZINC000004729443 210263308 /nfs/dbraw/zinc/26/33/08/210263308.db2.gz UODGGJZLMTYHDJ-KRWDZBQOSA-N 0 3 338.492 2.977 50 0 EFAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cn2ccsc2n1 ZINC000097679884 219047378 /nfs/dbraw/zinc/04/73/78/219047378.db2.gz UTUDASGCFYKFHJ-HNNXBMFYSA-N 0 3 340.452 2.615 50 0 EFAAHN Cc1cc(C)c(CN2CCC(Oc3ncccn3)CC2)c(C)c1CO ZINC000055182940 214284030 /nfs/dbraw/zinc/28/40/30/214284030.db2.gz NZHYFYUVFQKAFL-UHFFFAOYSA-N 0 3 341.455 2.938 50 0 EFAAHN Cc1ccnc(C[C@H](C)N(C)CCn2c3ccccc3oc2=O)c1 ZINC000055271813 214299317 /nfs/dbraw/zinc/29/93/17/214299317.db2.gz FPOCPBVTJRFNOK-HNNXBMFYSA-N 0 3 325.412 2.861 50 0 EFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)N2CCN(C)CC2)cc1 ZINC000072419542 282148301 /nfs/dbraw/zinc/14/83/01/282148301.db2.gz CZLYHNORESSLOC-LJQANCHMSA-N 0 3 344.503 2.643 50 0 EFAAHN O=C(NCc1ccc(Cl)nc1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000055383940 214315574 /nfs/dbraw/zinc/31/55/74/214315574.db2.gz AZULIQLQMYZCNJ-CQSZACIVSA-N 0 3 333.819 2.856 50 0 EFAAHN C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000065363971 214874747 /nfs/dbraw/zinc/87/47/47/214874747.db2.gz MXEXOIBNPQOPIM-UHFFFAOYSA-N 0 3 346.452 2.960 50 0 EFAAHN Cc1cccc(CNCCC(=O)Nc2ccc(C(N)=O)cc2)c1C ZINC000065461891 214917824 /nfs/dbraw/zinc/91/78/24/214917824.db2.gz JMMJURDUOFLWMF-UHFFFAOYSA-N 0 3 325.412 2.521 50 0 EFAAHN COc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000101702246 219158601 /nfs/dbraw/zinc/15/86/01/219158601.db2.gz CJFDXPGKFHZRJB-CLROSIBMSA-N 0 3 330.428 2.741 50 0 EFAAHN CCc1ccc(CN2CCC[C@H](CNC(=O)c3ccc[nH]3)C2)nc1 ZINC000067432371 215145848 /nfs/dbraw/zinc/14/58/48/215145848.db2.gz MHHSQDCWHPNMGP-MRXNPFEDSA-N 0 3 326.444 2.614 50 0 EFAAHN CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1c([O-])cccc1O ZINC000067515557 215157885 /nfs/dbraw/zinc/15/78/85/215157885.db2.gz JLHIYPBWEBEFEN-UHFFFAOYSA-N 0 3 340.423 2.966 50 0 EFAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccncc3C)CC2)o1 ZINC000067539847 215158636 /nfs/dbraw/zinc/15/86/36/215158636.db2.gz ZHNLPKVBMKNOQT-UHFFFAOYSA-N 0 3 327.428 2.933 50 0 EFAAHN COc1ccc(CN2CC[C@H](CNC(=O)c3cccc(O)c3)C2)cc1 ZINC000067588003 215164883 /nfs/dbraw/zinc/16/48/83/215164883.db2.gz OYZYOXMFGRYMBT-MRXNPFEDSA-N 0 3 340.423 2.653 50 0 EFAAHN CN1CCC(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000067601757 215166460 /nfs/dbraw/zinc/16/64/60/215166460.db2.gz QJJZHBSENGKHKP-UHFFFAOYSA-N 0 3 349.906 2.762 50 0 EFAAHN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)C3(N)CCC3)C2)cc1 ZINC000067603977 215166935 /nfs/dbraw/zinc/16/69/35/215166935.db2.gz NUDIMZZRDQBLAK-MRXNPFEDSA-N 0 3 338.455 2.973 50 0 EFAAHN Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)C3(N)CCC3)C2)cc1 ZINC000067603977 215166937 /nfs/dbraw/zinc/16/69/37/215166937.db2.gz NUDIMZZRDQBLAK-MRXNPFEDSA-N 0 3 338.455 2.973 50 0 EFAAHN C[NH+]1CCC2(CC1)CCCN(Cc1ccccc1OCC(=O)[O-])CC2 ZINC000067649305 215173544 /nfs/dbraw/zinc/17/35/44/215173544.db2.gz HUTFWFCCTGACQJ-UHFFFAOYSA-N 0 3 346.471 2.848 50 0 EFAAHN NC(=O)CCN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067672913 215177841 /nfs/dbraw/zinc/17/78/41/215177841.db2.gz IJJIJTSAHPDPNE-UHFFFAOYSA-N 0 3 346.434 2.977 50 0 EFAAHN CCC[C@H]1CCCN1C(=O)c1cnn2cc(CN(CC)CC)cnc12 ZINC000067675045 215181521 /nfs/dbraw/zinc/18/15/21/215181521.db2.gz ZGMUBTZROSVPKX-INIZCTEOSA-N 0 3 343.475 2.976 50 0 EFAAHN Cc1ccccc1CN1CCC[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000067688583 215183963 /nfs/dbraw/zinc/18/39/63/215183963.db2.gz RRBXWZYZKFTHKF-INIZCTEOSA-N 0 3 336.501 2.679 50 0 EFAAHN CCn1c(=O)n(C)nc1[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC000067714835 215192416 /nfs/dbraw/zinc/19/24/16/215192416.db2.gz UZJKCYZEYMCZBX-KRWDZBQOSA-N 0 3 328.460 2.598 50 0 EFAAHN Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C1(N)CC1)CCO2 ZINC000067713956 215192478 /nfs/dbraw/zinc/19/24/78/215192478.db2.gz MILMJYLPGBVSNA-UHFFFAOYSA-N 0 3 338.407 2.580 50 0 EFAAHN CCOc1ccc2[nH]c(=O)c(CN3CCC([C@@H](C)O)CC3)cc2c1 ZINC000067690845 215185345 /nfs/dbraw/zinc/18/53/45/215185345.db2.gz XTYWWKOVKGVFAT-CYBMUJFWSA-N 0 3 330.428 2.520 50 0 EFAAHN Cc1ccc(C)c(CC(=O)NC[C@@H]2CCN(Cc3ccncc3)C2)c1 ZINC000067690514 215186241 /nfs/dbraw/zinc/18/62/41/215186241.db2.gz ZGLKDQREYJXUTN-IBGZPJMESA-N 0 3 337.467 2.879 50 0 EFAAHN c1cn(C[C@H]2CCCN(Cc3cnc(-c4ccccn4)nc3)C2)cn1 ZINC000067694579 215187452 /nfs/dbraw/zinc/18/74/52/215187452.db2.gz CRKPKHHQLNABAX-INIZCTEOSA-N 0 3 334.427 2.647 50 0 EFAAHN CCn1c(=O)[nH]nc1[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000067755024 215202647 /nfs/dbraw/zinc/20/26/47/215202647.db2.gz QHLZGEMXSKRSQT-INIZCTEOSA-N 0 3 344.459 2.596 50 0 EFAAHN CCCc1cc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cs1 ZINC000067742877 215200176 /nfs/dbraw/zinc/20/01/76/215200176.db2.gz XBGFTPCEPWCXPA-UHFFFAOYSA-N 0 3 335.517 2.553 50 0 EFAAHN COc1ccc(Oc2cncc(N(C)C)n2)cc1CN1CCCC1 ZINC000067741980 215201227 /nfs/dbraw/zinc/20/12/27/215201227.db2.gz HUGYEJMZCRHEIF-UHFFFAOYSA-N 0 3 328.416 2.939 50 0 EFAAHN COc1ccc(CN2CCCC2)cc1Oc1cncc(N(C)C)n1 ZINC000067771074 215208067 /nfs/dbraw/zinc/20/80/67/215208067.db2.gz DCEXMTPRSSNIAM-UHFFFAOYSA-N 0 3 328.416 2.939 50 0 EFAAHN C=Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)COC)C3)C2)c1 ZINC000067788268 215211744 /nfs/dbraw/zinc/21/17/44/215211744.db2.gz SUWQZKKHVHCPBT-HXUWFJFHSA-N 0 3 328.456 2.791 50 0 EFAAHN c1ccc(NCCNc2nc(-c3cccnc3)nc3c2CCNC3)cc1 ZINC000067805154 215218014 /nfs/dbraw/zinc/21/80/14/215218014.db2.gz KIRPUJVRGYYXMU-UHFFFAOYSA-N 0 3 346.438 2.708 50 0 EFAAHN Cc1ccc(-c2nc(CNC(=O)C(C)(C)N)[nH]c2-c2ccccn2)cc1 ZINC000067840244 215226294 /nfs/dbraw/zinc/22/62/94/215226294.db2.gz MOCNRSCZJJHTGY-UHFFFAOYSA-N 0 3 349.438 2.801 50 0 EFAAHN Cc1ccc(-c2[nH]c(CNC(=O)C(C)(C)N)nc2-c2ccccn2)cc1 ZINC000067840244 215226295 /nfs/dbraw/zinc/22/62/95/215226295.db2.gz MOCNRSCZJJHTGY-UHFFFAOYSA-N 0 3 349.438 2.801 50 0 EFAAHN CCc1c[nH]nc1C1CCN(Cc2ccccc2OCCO)CC1 ZINC000067841404 215227071 /nfs/dbraw/zinc/22/70/71/215227071.db2.gz CFGMTUYVLCBEPK-UHFFFAOYSA-N 0 3 329.444 2.723 50 0 EFAAHN COc1ccc(CN2CCCC2)cc1Oc1nccnc1N(C)C ZINC000067846878 215228423 /nfs/dbraw/zinc/22/84/23/215228423.db2.gz 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CC(C)=CCN1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 ZINC000011813785 211250852 /nfs/dbraw/zinc/25/08/52/211250852.db2.gz SLHROERGVLFCRY-UHFFFAOYSA-N 0 3 331.464 2.554 50 0 EFAAHN CCc1nc(C)sc1CN1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091526415 218018161 /nfs/dbraw/zinc/01/81/61/218018161.db2.gz VKOWPUVWYRAETJ-HUUCEWRRSA-N 0 3 343.500 2.905 50 0 EFAAHN COCC[C@]1(CO)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000091626303 218035904 /nfs/dbraw/zinc/03/59/04/218035904.db2.gz UWIUQWSGKOVIMX-LJQANCHMSA-N 0 3 335.492 2.753 50 0 EFAAHN COCC[C@@]1(CO)CCCN(CC2=Cc3cccc(OC)c3OC2)C1 ZINC000091663686 218041825 /nfs/dbraw/zinc/04/18/25/218041825.db2.gz LWLSAPKFTHMTFY-FQEVSTJZSA-N 0 3 347.455 2.582 50 0 EFAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000011668272 211233265 /nfs/dbraw/zinc/23/32/65/211233265.db2.gz UPQVCFKBCDGWOL-GOSISDBHSA-N 0 3 343.496 2.851 50 0 EFAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccccc2F)CC1 ZINC000091746296 218058034 /nfs/dbraw/zinc/05/80/34/218058034.db2.gz HDRKLWWABVSBNT-UHFFFAOYSA-N 0 3 344.434 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/nfs/dbraw/zinc/10/64/44/252106444.db2.gz VRZXDQIMEHBTLJ-GOSISDBHSA-N 0 3 348.450 2.817 50 0 EFAAHN COc1ccc(N2C(=O)C[C@H](NCCC3=CCCCC3)C2=O)cc1 ZINC000005043841 210372885 /nfs/dbraw/zinc/37/28/85/210372885.db2.gz CBWZKGGGSSHBPQ-KRWDZBQOSA-N 0 3 328.412 2.807 50 0 EFAAHN CCc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000005045692 210372922 /nfs/dbraw/zinc/37/29/22/210372922.db2.gz TWUMXQVODHUCSZ-IBGZPJMESA-N 0 3 330.472 2.756 50 0 EFAAHN CSCc1nc(CNC(=O)c2cccc(CN(C)C)c2)cs1 ZINC000097436778 219024794 /nfs/dbraw/zinc/02/47/94/219024794.db2.gz JMGFLXIUUWBPOP-UHFFFAOYSA-N 0 3 335.498 2.998 50 0 EFAAHN Cc1[nH]nc(CCC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1C ZINC000097347370 219013651 /nfs/dbraw/zinc/01/36/51/219013651.db2.gz YHAJIRNIOMKMIG-OAHLLOKOSA-N 0 3 346.500 2.801 50 0 EFAAHN CCN1CCCC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097468563 219027829 /nfs/dbraw/zinc/02/78/29/219027829.db2.gz HRTHCHCNQWVUOF-OJLWIZQOSA-N 0 3 341.499 2.718 50 0 EFAAHN COc1cc(C(=O)O[C@@H](C)CN2CCCCC2)cc(OC)c1OC 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C[C@H]1Cc2cc(C(=O)N3CCC(N4CCSCC4)CC3)ccc2O1 ZINC000299790844 258096728 /nfs/dbraw/zinc/09/67/28/258096728.db2.gz CQSFUOSFCRTNIE-AWEZNQCLSA-N 0 3 346.496 2.663 50 0 EFAAHN Cc1ccc([C@@H](CNC(=O)c2scc3c2OCCO3)N(C)C)cc1 ZINC000299791618 258097225 /nfs/dbraw/zinc/09/72/25/258097225.db2.gz FSRSXRUWUQMLIH-CQSZACIVSA-N 0 3 346.452 2.860 50 0 EFAAHN C[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1nncn1C1CCCC1 ZINC000299792232 258097606 /nfs/dbraw/zinc/09/76/06/258097606.db2.gz GQQFSNWPMOCRMS-HNNXBMFYSA-N 0 3 345.491 2.979 50 0 EFAAHN O=C(Nc1ccc[nH]c1=O)NC1CCN(Cc2cccs2)CC1 ZINC000299795130 258099646 /nfs/dbraw/zinc/09/96/46/258099646.db2.gz LMVWFIQHTDNXSX-UHFFFAOYSA-N 0 3 332.429 2.635 50 0 EFAAHN O=C(NCCN1CCCC1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000299797149 258101033 /nfs/dbraw/zinc/10/10/33/258101033.db2.gz PVIFEXLQDDDHBQ-UHFFFAOYSA-N 0 3 347.850 2.802 50 0 EFAAHN Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000299798486 258102276 /nfs/dbraw/zinc/10/22/76/258102276.db2.gz RYXNSJRTVYAECV-GOSISDBHSA-N 0 3 340.471 2.597 50 0 EFAAHN CO[C@]12CCN(Cc3cc4cc(C)ccc4n3C)[C@H]1C[C@H](O)CC2 ZINC000299799906 258103849 /nfs/dbraw/zinc/10/38/49/258103849.db2.gz VTBBCWNBORFYRE-YZGWKJHDSA-N 0 3 328.456 2.991 50 0 EFAAHN CC(C)c1cc(CN(C)C(=O)CSCCN2CCCC2)no1 ZINC000299802312 258105487 /nfs/dbraw/zinc/10/54/87/258105487.db2.gz KJVQUTHQCMKCHV-UHFFFAOYSA-N 0 3 325.478 2.585 50 0 EFAAHN O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000055060745 258061097 /nfs/dbraw/zinc/06/10/97/258061097.db2.gz BERQFLRYGJENAV-MRXNPFEDSA-N 0 3 328.412 2.556 50 0 EFAAHN Cc1cccc(-c2ccc(NC(=O)N[C@@H]3CNCC[C@H]3O)cc2)c1 ZINC000299755765 258074025 /nfs/dbraw/zinc/07/40/25/258074025.db2.gz CPXLKCVMGWUCFH-QZTJIDSGSA-N 0 3 325.412 2.506 50 0 EFAAHN COc1cccc2ccc(CN3CC[C@]4(OC)CC[C@H](O)C[C@H]34)nc21 ZINC000299760791 258078054 /nfs/dbraw/zinc/07/80/54/258078054.db2.gz KDIINWFPJPPITN-XKGZKEIXSA-N 0 3 342.439 2.748 50 0 EFAAHN O=C(CSCCN1CCCC1)NCc1cnc2ccccc2c1 ZINC000299764768 258080345 /nfs/dbraw/zinc/08/03/45/258080345.db2.gz LBGAFDOEVRQXGA-UHFFFAOYSA-N 0 3 329.469 2.680 50 0 EFAAHN Cc1cnc(C)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000277283661 273151813 /nfs/dbraw/zinc/15/18/13/273151813.db2.gz ZAGCCHPDKQMSAH-SFHVURJKSA-N 0 3 326.444 2.796 50 0 EFAAHN COCCN1C[C@H]2CC[C@@H]1CN(c1ncnc3c(C)csc31)C2 ZINC000091680059 274033553 /nfs/dbraw/zinc/03/35/53/274033553.db2.gz JUKCDJIUTXAVFW-ZIAGYGMSSA-N 0 3 332.473 2.547 50 0 EFAAHN COc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000013153722 274113066 /nfs/dbraw/zinc/11/30/66/274113066.db2.gz WWHFQRGCCRXFNB-WBAXXEDZSA-N 0 3 342.439 2.982 50 0 EFAAHN CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCCCC1 ZINC000004958062 278114963 /nfs/dbraw/zinc/11/49/63/278114963.db2.gz JQILUMBUNLQQNH-ROUUACIJSA-N 0 3 330.453 2.971 50 0 EFAAHN C[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)N(C)C1CCCCC1 ZINC000299763358 278209186 /nfs/dbraw/zinc/20/91/86/278209186.db2.gz ZQKHCOIDDAXULZ-LBPRGKRZSA-N 0 3 332.423 2.971 50 0 EFAAHN CC(C)C/C=C(\CN1CCC2(CC1)NCCNC2=O)c1ccccc1 ZINC000067740813 278697340 /nfs/dbraw/zinc/69/73/40/278697340.db2.gz XGMYZUALIOQOED-DJKKODMXSA-N 0 3 341.499 2.670 50 0 EFAAHN Cc1ccc(-c2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3N)[nH]n2)s1 ZINC000097087804 280718336 /nfs/dbraw/zinc/71/83/36/280718336.db2.gz IZRHEDFGHUPBBM-YOEHRIQHSA-N 0 3 338.436 2.801 50 0 EFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCCCC1 ZINC000004046552 281099081 /nfs/dbraw/zinc/09/90/81/281099081.db2.gz WZCDPAZKCMKDCJ-HKUYNNGSSA-N 0 3 327.472 2.615 50 0 biogenic EFAAHN Cc1cn2c(CN[C@H]3CCc4nnc(C(C)C)n4C3)c(C)nc2s1 ZINC000097199469 281528131 /nfs/dbraw/zinc/52/81/31/281528131.db2.gz VBUTWDFEGXCOLO-ZDUSSCGKSA-N 0 3 344.488 2.832 50 0 EFAAHN CN(C)[C@H]1CCCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000082157398 289367791 /nfs/dbraw/zinc/36/77/91/289367791.db2.gz HAIIFPFBHGOQPO-SFHVURJKSA-N 0 3 348.462 2.817 50 0 EFAAHN Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762382 295360194 /nfs/dbraw/zinc/36/01/94/295360194.db2.gz WETNHZVOLPIATI-QAPCUYQASA-N 0 3 339.487 2.699 50 0 biogenic EFAAHN Cc1ccccc1CN(CCN(C)C)C(=O)c1ncc(F)cc1F ZINC000055344423 302098696 /nfs/dbraw/zinc/09/86/96/302098696.db2.gz JPRAHHDBPNJKKA-UHFFFAOYSA-N 0 3 333.382 2.872 50 0 EFAAHN Cc1cc(C)nc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000302782226 311200988 /nfs/dbraw/zinc/20/09/88/311200988.db2.gz KDSAPFYHSGRYOV-GOSISDBHSA-N 0 3 326.444 2.796 50 0 EFAAHN O[C@H](CNC[C@@H]1COc2ccccc2O1)COc1ccccc1Cl ZINC000005685434 323210481 /nfs/dbraw/zinc/21/04/81/323210481.db2.gz UZEMNULQSDGRJD-ZIAGYGMSSA-N 0 3 349.814 2.509 50 0 EFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(ccn2CCOC)c1 ZINC000095480763 473212571 /nfs/dbraw/zinc/21/25/71/473212571.db2.gz VANFDDMCCZZQKT-QGZVFWFLSA-N 0 3 329.444 2.502 50 0 EFAAHN O=C(Nc1ccc(Cl)nc1)N1CCC(N2CCSCC2)CC1 ZINC000095502889 473214971 /nfs/dbraw/zinc/21/49/71/473214971.db2.gz XHCXAQIOVJRKKD-UHFFFAOYSA-N 0 3 340.880 2.780 50 0 EFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(c2ncccc2Cl)C1 ZINC000095507101 473215351 /nfs/dbraw/zinc/21/53/51/473215351.db2.gz ZQHMWPZZTGLGTO-AWEZNQCLSA-N 0 3 333.867 2.877 50 0 EFAAHN c1ccc(CN2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)nc1 ZINC000095509532 473216691 /nfs/dbraw/zinc/21/66/91/473216691.db2.gz SDMJZZKZJHJLFM-GOSISDBHSA-N 0 3 337.467 2.841 50 0 EFAAHN c1ccc(CN2CCN(C[C@H]3CCOc4ccccc4C3)CC2)nc1 ZINC000095509533 473216742 /nfs/dbraw/zinc/21/67/42/473216742.db2.gz SDMJZZKZJHJLFM-SFHVURJKSA-N 0 3 337.467 2.841 50 0 EFAAHN COCCCCN1CCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095528316 473220946 /nfs/dbraw/zinc/22/09/46/473220946.db2.gz HYSVWEJZWHCSKM-SFHVURJKSA-N 0 3 332.488 2.672 50 0 EFAAHN Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)n1 ZINC000095529775 473221409 /nfs/dbraw/zinc/22/14/09/473221409.db2.gz IWIKEWNTMMJVJG-GOSISDBHSA-N 0 3 340.471 2.745 50 0 EFAAHN C[C@H](O)c1cccc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000095530452 473222806 /nfs/dbraw/zinc/22/28/06/473222806.db2.gz CCIPODQLAQRISF-HNNXBMFYSA-N 0 3 329.419 2.986 50 0 EFAAHN CCC(CO)(CO)NCCOC(c1ccccc1)c1ccccc1 ZINC000096026378 473257700 /nfs/dbraw/zinc/25/77/00/473257700.db2.gz AOKYIXJKCWGFFD-UHFFFAOYSA-N 0 3 329.440 2.516 50 0 EFAAHN CCN1CCCC[C@H]1CNC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000184892237 473265275 /nfs/dbraw/zinc/26/52/75/473265275.db2.gz ATXLASYOFMAYQQ-SFHVURJKSA-N 0 3 345.487 2.554 50 0 EFAAHN c1sc(N2CCCC2)nc1CN[C@H]1CCOC2(CCOCC2)C1 ZINC000082091317 473285869 /nfs/dbraw/zinc/28/58/69/473285869.db2.gz JFWVEHQFFYNJDX-AWEZNQCLSA-N 0 3 337.489 2.561 50 0 EFAAHN Cc1ccc2[nH]c(CN[C@@H]3CCOC4(CCOCC4)C3)nc2c1C ZINC000082109705 473290337 /nfs/dbraw/zinc/29/03/37/473290337.db2.gz LWJSOUVJVPKNEB-OAHLLOKOSA-N 0 3 329.444 2.998 50 0 EFAAHN C=Cc1ccc(NC(=O)N2CCC3(CC2)CN(C)CCN3C)cc1 ZINC000096150977 473314924 /nfs/dbraw/zinc/31/49/24/473314924.db2.gz GMMUSWWVQQYBSK-UHFFFAOYSA-N 0 3 328.460 2.573 50 0 EFAAHN CC(C)c1nc([C@H]2NCCc3[nH]cnc32)n(CCc2ccccc2)n1 ZINC000096140046 473313207 /nfs/dbraw/zinc/31/32/07/473313207.db2.gz VRVURFKXJPTZAM-KRWDZBQOSA-N 0 3 336.443 2.602 50 0 EFAAHN Clc1cnc(N2CCC(CN3CCOCC3)CC2)c(Cl)c1 ZINC000096139812 473313567 /nfs/dbraw/zinc/31/35/67/473313567.db2.gz RVVDOIKPPRBJJN-UHFFFAOYSA-N 0 3 330.259 2.937 50 0 EFAAHN COCCOc1cccc(NC(=O)N2CC(N3CCCC[C@H]3C)C2)c1 ZINC000096165906 473322058 /nfs/dbraw/zinc/32/20/58/473322058.db2.gz WOCJUAHRXJTDID-OAHLLOKOSA-N 0 3 347.459 2.802 50 0 EFAAHN CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1[O-] ZINC000000001395 471317590 /nfs/dbraw/zinc/31/75/90/471317590.db2.gz AADCDMQTJNYOSS-LBPRGKRZSA-N 0 3 340.851 2.831 50 0 world EFAAHN CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1[O-] ZINC000000001395 471317597 /nfs/dbraw/zinc/31/75/97/471317597.db2.gz AADCDMQTJNYOSS-LBPRGKRZSA-N 0 3 340.851 2.831 50 0 world EFAAHN CCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O ZINC000000146747 471327828 /nfs/dbraw/zinc/32/78/28/471327828.db2.gz OEYJYVYTFSKKEI-OAHLLOKOSA-N 0 3 326.352 2.613 50 0 EFAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000000176571 471331074 /nfs/dbraw/zinc/33/10/74/471331074.db2.gz WNESZXKWXXPKIR-ZDUSSCGKSA-N 0 3 338.835 2.944 50 0 EFAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000000178171 471331374 /nfs/dbraw/zinc/33/13/74/471331374.db2.gz HQOMKYWUOQWZJM-UHFFFAOYSA-N 0 3 332.444 2.907 50 0 EFAAHN COc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000000212857 471335964 /nfs/dbraw/zinc/33/59/64/471335964.db2.gz ZGLRROFWFAWUDX-KRWDZBQOSA-N 0 3 346.471 2.928 50 0 EFAAHN CCOc1cc(CN2CCC(C(=O)NCC(C)C)CC2)ccc1O ZINC000000236111 471338493 /nfs/dbraw/zinc/33/84/93/471338493.db2.gz UGFCZANNSOJMMA-UHFFFAOYSA-N 0 3 334.460 2.775 50 0 EFAAHN CCOc1cc(CN2CCC[C@@H](C(=O)N(CC)CC)C2)ccc1O ZINC000000241763 471338797 /nfs/dbraw/zinc/33/87/97/471338797.db2.gz GZXYHQSQVWGXEB-MRXNPFEDSA-N 0 3 334.460 2.871 50 0 EFAAHN CN(C)CCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000000534356 471369259 /nfs/dbraw/zinc/36/92/59/471369259.db2.gz JDIXJTOGZIFVTO-UHFFFAOYSA-N 0 3 338.502 2.779 50 0 EFAAHN CC(C)CC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000000549193 471370749 /nfs/dbraw/zinc/37/07/49/471370749.db2.gz ZDUQNZCPZPBYFL-UHFFFAOYSA-N 0 3 329.488 2.846 50 0 EFAAHN CCOC(=O)N1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000757046 471375158 /nfs/dbraw/zinc/37/51/58/471375158.db2.gz STTPZXSMVPMVOI-UHFFFAOYSA-N 0 3 335.423 2.569 50 0 EFAAHN CC(C)C[C@H]1NC(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000002120498 471401688 /nfs/dbraw/zinc/40/16/88/471401688.db2.gz RLTXBGNBTNFYNF-QGZVFWFLSA-N 0 3 329.444 2.618 50 0 EFAAHN CCOC(=O)C1CCN(C[C@H](O)CO[C@@H](CC)c2ccccc2)CC1 ZINC000002694605 471416404 /nfs/dbraw/zinc/41/64/04/471416404.db2.gz CKONUNUKDQTABY-OALUTQOASA-N 0 3 349.471 2.790 50 0 EFAAHN COc1ccc(N2C(=O)C[C@H](NCCCc3ccccc3)C2=O)cc1 ZINC000002729910 471418666 /nfs/dbraw/zinc/41/86/66/471418666.db2.gz HLFBVZFDKIDWRX-SFHVURJKSA-N 0 3 338.407 2.550 50 0 EFAAHN CCCCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000002857447 471424656 /nfs/dbraw/zinc/42/46/56/471424656.db2.gz YWIIJOBLJKINIP-QGZVFWFLSA-N 0 3 331.460 2.568 50 0 EFAAHN CCN(CC)CCOC(=O)C[C@]1(C)Sc2ccccc2NC1=O ZINC000005952398 471527011 /nfs/dbraw/zinc/52/70/11/471527011.db2.gz VIVNAXHWGUSISU-KRWDZBQOSA-N 0 3 336.457 2.765 50 0 EFAAHN CCN(CC)CCOC(=O)C[C@@]1(C)Sc2ccccc2NC1=O ZINC000005952396 471527042 /nfs/dbraw/zinc/52/70/42/471527042.db2.gz VIVNAXHWGUSISU-QGZVFWFLSA-N 0 3 336.457 2.765 50 0 EFAAHN COc1nc2ccccc2cc1CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000012297773 471770507 /nfs/dbraw/zinc/77/05/07/471770507.db2.gz QWICOQHDVNAIEO-QGZVFWFLSA-N 0 3 349.438 2.792 50 0 EFAAHN COCCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000012588311 471784160 /nfs/dbraw/zinc/78/41/60/471784160.db2.gz KAWYMCIOWXGHGI-INIZCTEOSA-N 0 3 336.451 2.575 50 0 EFAAHN CN(C[C@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2)n1 ZINC000012595742 471784644 /nfs/dbraw/zinc/78/46/44/471784644.db2.gz HWHNOUXNKOICIC-OAHLLOKOSA-N 0 3 343.427 2.810 50 0 EFAAHN CC(C)(C)CN1CCC[C@@]2(CCN(Cc3ccc(CO)o3)C2)C1=O ZINC000012713524 471791431 /nfs/dbraw/zinc/79/14/31/471791431.db2.gz SKSSHWUFGXWLPY-IBGZPJMESA-N 0 3 334.460 2.633 50 0 EFAAHN COc1ccc(OCC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000013452189 471829369 /nfs/dbraw/zinc/82/93/69/471829369.db2.gz DCEJGNKTFDWSHB-UHFFFAOYSA-N 0 3 332.444 2.551 50 0 EFAAHN O=C1CC[C@@H](CCNCc2cccnc2)N1CCc1ccccc1F ZINC000014884479 471880397 /nfs/dbraw/zinc/88/03/97/471880397.db2.gz XYFMMLQEHFMHNH-SFHVURJKSA-N 0 3 341.430 2.934 50 0 EFAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000016580559 471941717 /nfs/dbraw/zinc/94/17/17/471941717.db2.gz ARBFTMPJWIMYSL-LLVKDONJSA-N 0 3 328.815 2.847 50 0 EFAAHN CCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000016580560 471942142 /nfs/dbraw/zinc/94/21/42/471942142.db2.gz ARBFTMPJWIMYSL-NSHDSACASA-N 0 3 328.815 2.847 50 0 EFAAHN Cc1cc(S(=O)(=O)[N-]CCC[NH+](C)C)c(Cl)cc1Cl ZINC000033877210 471988320 /nfs/dbraw/zinc/98/83/20/471988320.db2.gz MUCOMDCYBVKCFW-UHFFFAOYSA-N 0 3 325.261 2.532 50 0 EFAAHN CCN(CC)CCN1CNC(=S)N(c2cccc(Cl)c2)C1 ZINC000020189365 471988296 /nfs/dbraw/zinc/98/82/96/471988296.db2.gz PPDJRVZSXFJRAN-UHFFFAOYSA-N 0 3 326.897 2.593 50 0 EFAAHN Nc1[nH]nc2nc(N3CCCC3)c3c(c12)CCN(C1CCCCC1)C3 ZINC000020548150 471990818 /nfs/dbraw/zinc/99/08/18/471990818.db2.gz SZVJRQJTHUQKGM-UHFFFAOYSA-N 0 3 340.475 2.831 50 0 EFAAHN Cc1nn(C)c(C)c1CCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000067268284 472012906 /nfs/dbraw/zinc/01/29/06/472012906.db2.gz FHNTZXJUHUPDTC-LJQANCHMSA-N 0 3 342.487 2.697 50 0 EFAAHN CC(C)(C)c1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000041625430 472074321 /nfs/dbraw/zinc/07/43/21/472074321.db2.gz CHXLPYXHHRXTSE-INIZCTEOSA-N 0 3 338.517 2.745 50 0 EFAAHN CC[C@H](NC1CSCCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000067983469 472118137 /nfs/dbraw/zinc/11/81/37/472118137.db2.gz JFYAGKUERSYUFP-HNNXBMFYSA-N 0 3 345.555 2.979 50 0 EFAAHN COC(=O)c1ccc(C(=O)NCCCN(C)Cc2ccccc2)s1 ZINC000042658990 472156729 /nfs/dbraw/zinc/15/67/29/472156729.db2.gz WIMUPCYFPWVWLK-UHFFFAOYSA-N 0 3 346.452 2.787 50 0 EFAAHN COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccncc1 ZINC000075733976 472192154 /nfs/dbraw/zinc/19/21/54/472192154.db2.gz YQLYWCVFZMQRPL-KRWDZBQOSA-N 0 3 328.412 2.938 50 0 EFAAHN FC(F)(F)c1cc(N2CCNCC2)nc(Cl)c1Br ZINC000043224360 472211238 /nfs/dbraw/zinc/21/12/38/472211238.db2.gz RYAJKUBPSQPTMO-UHFFFAOYSA-N 0 3 344.562 2.926 50 0 EFAAHN Cc1nnsc1C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC000043971555 472277424 /nfs/dbraw/zinc/27/74/24/472277424.db2.gz NTYXZZIZOAJWGX-UHFFFAOYSA-N 0 3 336.486 2.550 50 0 EFAAHN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000097199486 472474709 /nfs/dbraw/zinc/47/47/09/472474709.db2.gz KBNLCLRHWRZDKW-CQSZACIVSA-N 0 3 340.431 2.798 50 0 EFAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cc(F)ccc2o1 ZINC000117791499 472479087 /nfs/dbraw/zinc/47/90/87/472479087.db2.gz JMQJTJIWMWMDDM-OAHLLOKOSA-N 0 3 334.391 2.755 50 0 EFAAHN O=C1OC2(CN1CCc1ccccc1)CCN(C[C@H]1CCCO1)CC2 ZINC000077288133 472493842 /nfs/dbraw/zinc/49/38/42/472493842.db2.gz JEUPSOFJDKDZJH-GOSISDBHSA-N 0 3 344.455 2.695 50 0 EFAAHN CC[C@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000077319949 472501035 /nfs/dbraw/zinc/50/10/35/472501035.db2.gz MBYYCQPATKXBAN-GOSISDBHSA-N 0 3 349.906 2.859 50 0 EFAAHN c1cc2c(ncnc2N2CCN([C@H]3CCc4ccccc4C3)CC2)[nH]1 ZINC000077320691 472504234 /nfs/dbraw/zinc/50/42/34/472504234.db2.gz HRUGNDUAIBODAO-KRWDZBQOSA-N 0 3 333.439 2.637 50 0 EFAAHN COCc1cc(CN2CCCC[C@H]2CN2CCOCC2)ccc1OC ZINC000097694588 472504699 /nfs/dbraw/zinc/50/46/99/472504699.db2.gz MBGGRDLTUYVCFO-IBGZPJMESA-N 0 3 348.487 2.528 50 0 EFAAHN Cc1ncsc1CCCn1cnc2sc3c(c2c1=O)CCNC3 ZINC000077386768 472517767 /nfs/dbraw/zinc/51/77/67/472517767.db2.gz NZIJSYIOZIBIRM-UHFFFAOYSA-N 0 3 346.481 2.501 50 0 EFAAHN Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1C ZINC000077406141 472520804 /nfs/dbraw/zinc/52/08/04/472520804.db2.gz MRQNGCIOFHUXRB-FQEVSTJZSA-N 0 3 330.472 2.500 50 0 EFAAHN c1cc(C2CCN(Cc3csc(-c4ncccn4)n3)CC2)[nH]n1 ZINC000058227080 472522640 /nfs/dbraw/zinc/52/26/40/472522640.db2.gz YRGYASQJWFMYNB-UHFFFAOYSA-N 0 3 326.429 2.703 50 0 EFAAHN CSCC[C@H](N)C(=O)N(C)Cc1csc(-c2cccs2)n1 ZINC000077406343 472522912 /nfs/dbraw/zinc/52/29/12/472522912.db2.gz CAISVUYMGYVVTA-NSHDSACASA-N 0 3 341.527 2.910 50 0 EFAAHN COC(C)(C)C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071416277 472550785 /nfs/dbraw/zinc/55/07/85/472550785.db2.gz PAKKSYUKGRECKY-KZNAEPCWSA-N 0 3 328.456 2.500 50 0 EFAAHN COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071750720 472558230 /nfs/dbraw/zinc/55/82/30/472558230.db2.gz HUHDNSQJNFONSP-XUVXKRRUSA-N 0 3 340.467 2.884 50 0 EFAAHN Cc1ccc(NC(=O)CCN2CCC[C@H](N3CCCC3=O)C2)c(C)c1 ZINC000071756794 472559545 /nfs/dbraw/zinc/55/95/45/472559545.db2.gz LRMDDYGFVOQLHS-KRWDZBQOSA-N 0 3 343.471 2.719 50 0 EFAAHN COc1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1[O-] ZINC000071751612 472560708 /nfs/dbraw/zinc/56/07/08/472560708.db2.gz DKIKXZNFHBLTJJ-QGZVFWFLSA-N 0 3 346.471 2.983 50 0 EFAAHN COc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1[O-] ZINC000071751612 472560713 /nfs/dbraw/zinc/56/07/13/472560713.db2.gz DKIKXZNFHBLTJJ-QGZVFWFLSA-N 0 3 346.471 2.983 50 0 EFAAHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC2(CCCO2)CC1 ZINC000071759318 472561113 /nfs/dbraw/zinc/56/11/13/472561113.db2.gz JTRLHXICFYQPOL-GOSISDBHSA-N 0 3 328.456 2.648 50 0 EFAAHN O=c1[nH]nc([C@@H]2CCCN(CCc3ccccc3)C2)n1-c1ccccc1 ZINC000071762787 472562118 /nfs/dbraw/zinc/56/21/18/472562118.db2.gz CALBSKWMJVWCHC-GOSISDBHSA-N 0 3 348.450 2.983 50 0 EFAAHN CC(C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCCN1Cc1ccc(F)cc1 ZINC000071760433 472562215 /nfs/dbraw/zinc/56/22/15/472562215.db2.gz RPDJIRNPSJXSAM-SFHVURJKSA-N 0 3 344.434 2.922 50 0 EFAAHN CC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)CCCN1Cc1ccc(F)cc1 ZINC000071760433 472562217 /nfs/dbraw/zinc/56/22/17/472562217.db2.gz RPDJIRNPSJXSAM-SFHVURJKSA-N 0 3 344.434 2.922 50 0 EFAAHN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCCC1 ZINC000071767362 472562901 /nfs/dbraw/zinc/56/29/01/472562901.db2.gz CBYUKRSATGENTJ-UHFFFAOYSA-N 0 3 349.434 2.578 50 0 EFAAHN CC(C)c1nnc2sc(C3CCN(C4CCOCC4)CC3)nn21 ZINC000071764130 472563451 /nfs/dbraw/zinc/56/34/51/472563451.db2.gz UYDARUWPRFGDJO-UHFFFAOYSA-N 0 3 335.477 2.668 50 0 EFAAHN CC(C)[C@H]1CN(Cc2cccc3nonc32)CCC(=O)N1CC1CC1 ZINC000071775708 472564997 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ZINC000011819946 211252624 /nfs/dbraw/zinc/25/26/24/211252624.db2.gz DADBNKHZCZTJGS-UHFFFAOYSA-N 0 3 344.478 2.946 50 0 EFAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2cccc(C)n2)C1 ZINC000091713760 218053945 /nfs/dbraw/zinc/05/39/45/218053945.db2.gz BPPREEKYCXEARJ-FUHWJXTLSA-N 0 3 325.460 2.518 50 0 EFAAHN CCCc1nc(C(=O)N2C[C@H](N)[C@@H](c3cccc(OC)c3)C2)cs1 ZINC000091915196 218088065 /nfs/dbraw/zinc/08/80/65/218088065.db2.gz RBZJIAYGGQXPEZ-CABCVRRESA-N 0 3 345.468 2.671 50 0 EFAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(CCC(=O)NCc1ccco1)C2 ZINC000091933780 218091395 /nfs/dbraw/zinc/09/13/95/218091395.db2.gz JMERGABEHODBHC-ZWKOTPCHSA-N 0 3 345.487 2.648 50 0 EFAAHN C[C@H](C(=O)N1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1 ZINC000091845796 218075815 /nfs/dbraw/zinc/07/58/15/218075815.db2.gz AQINMTNMAXOEJD-MRXNPFEDSA-N 0 3 344.503 2.874 50 0 EFAAHN Cc1ccc(C)c2c(=O)cc(CNCc3ccc4nonc4c3)[nH]c12 ZINC000091986250 218097950 /nfs/dbraw/zinc/09/79/50/218097950.db2.gz NEAOSRWRYQUYNJ-UHFFFAOYSA-N 0 3 334.379 2.971 50 0 EFAAHN 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CCc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@@H]3CN(C)C4)[nH]n2)cc1 ZINC000097323905 219011864 /nfs/dbraw/zinc/01/18/64/219011864.db2.gz JKUSSXYERLOYQM-DOTOQJQBSA-N 0 3 338.455 2.805 50 0 EFAAHN COCc1cc(CN2CCC[C@@H](Cn3ccnc3)C2)ccc1OC ZINC000097515012 219032399 /nfs/dbraw/zinc/03/23/99/219032399.db2.gz XDAQBUJIHJEPCK-QGZVFWFLSA-N 0 3 329.444 2.950 50 0 EFAAHN O=C1CC[C@@H](CCNCc2ccccn2)N1Cc1cccc(F)c1 ZINC000299770666 258083311 /nfs/dbraw/zinc/08/33/11/258083311.db2.gz ULYUZZOUBDDQAL-SFHVURJKSA-N 0 3 327.403 2.892 50 0 EFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2nccs2)c1 ZINC000299774895 258085300 /nfs/dbraw/zinc/08/53/00/258085300.db2.gz IJFRETMRXLPOER-HOTGVXAUSA-N 0 3 345.468 2.648 50 0 EFAAHN O=C([O-])CC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCCC1 ZINC000299779455 258088837 /nfs/dbraw/zinc/08/88/37/258088837.db2.gz FSKNSQVYIUPYPG-AZUAARDMSA-N 0 3 342.483 2.805 50 0 EFAAHN O=C([O-])CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCCC1 ZINC000299779455 258088838 /nfs/dbraw/zinc/08/88/38/258088838.db2.gz FSKNSQVYIUPYPG-AZUAARDMSA-N 0 3 342.483 2.805 50 0 EFAAHN Cc1cnn(Cc2cccc(C)c2)c1NC(=O)NCCN1CCCC1 ZINC000299784862 258092552 /nfs/dbraw/zinc/09/25/52/258092552.db2.gz NBVOJNXEURULMV-UHFFFAOYSA-N 0 3 341.459 2.766 50 0 EFAAHN Cc1ccccc1CC1(NC(=O)CC[C@H](C)N2CCN(C)CC2)CC1 ZINC000299788785 258094800 /nfs/dbraw/zinc/09/48/00/258094800.db2.gz XJOPYLOYORNBAZ-SFHVURJKSA-N 0 3 343.515 2.602 50 0 EFAAHN CO[C@]12CCN(Cc3cnn(-c4ccccc4F)c3)[C@H]1C[C@H](O)CC2 ZINC000299792774 258098170 /nfs/dbraw/zinc/09/81/70/258098170.db2.gz GIAYCJRQRLQFSS-AYOQOUSVSA-N 0 3 345.418 2.516 50 0 EFAAHN COc1ccc(C)c(NC(=O)NC2CCN(CCSC)CC2)c1 ZINC000299800344 258103602 /nfs/dbraw/zinc/10/36/02/258103602.db2.gz WYWULHDQKXTVBW-UHFFFAOYSA-N 0 3 337.489 2.953 50 0 EFAAHN COc1cccc(-n2cc(CN(C)CCc3c(C)n[nH]c3C)cn2)c1 ZINC000299800690 258104306 /nfs/dbraw/zinc/10/43/06/258104306.db2.gz VRFPKRWMVVDXCV-UHFFFAOYSA-N 0 3 339.443 2.895 50 0 EFAAHN O=C(CSCCN1CCCC1)NCc1ccc2ccccc2n1 ZINC000299801597 258104771 /nfs/dbraw/zinc/10/47/71/258104771.db2.gz ZUYQMIGVLBTKEH-UHFFFAOYSA-N 0 3 329.469 2.680 50 0 EFAAHN CC(C)CCNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299803754 258105842 /nfs/dbraw/zinc/10/58/42/258105842.db2.gz AWQISRLMSOFVDI-UHFFFAOYSA-N 0 3 332.488 2.814 50 0 EFAAHN Cc1ccc(O)c(CN(CCCn2ccnc2)Cc2cccnc2)n1 ZINC000055060718 258061257 /nfs/dbraw/zinc/06/12/57/258061257.db2.gz VAXXIEGBURCETF-UHFFFAOYSA-N 0 3 337.427 2.780 50 0 EFAAHN CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@H]1CNCCO1 ZINC000299757518 258075233 /nfs/dbraw/zinc/07/52/33/258075233.db2.gz IQIIIKFCMWPLSO-NSHDSACASA-N 0 3 338.860 2.892 50 0 EFAAHN O=C(c1ccn(C(F)F)n1)N1CCCN(C2CCCCC2)CC1 ZINC000299758917 258076746 /nfs/dbraw/zinc/07/67/46/258076746.db2.gz FLHJIFVPLWEQRX-UHFFFAOYSA-N 0 3 326.391 2.759 50 0 EFAAHN CCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc2)n1 ZINC000299760508 258077349 /nfs/dbraw/zinc/07/73/49/258077349.db2.gz UZGHGSSJTFDLHF-HNNXBMFYSA-N 0 3 341.415 2.611 50 0 EFAAHN Cc1cccc2c(CCNC(=O)CSCCN3CCCC3)c[nH]c21 ZINC000299764918 258080422 /nfs/dbraw/zinc/08/04/22/258080422.db2.gz WLMKANPXLIQJMY-UHFFFAOYSA-N 0 3 345.512 2.964 50 0 EFAAHN CN(CC(=O)NCCCc1nc2cc(F)ccc2[nH]1)C1CCCC1 ZINC000299767621 258082363 /nfs/dbraw/zinc/08/23/63/258082363.db2.gz MJBVQQOCRVNRMP-UHFFFAOYSA-N 0 3 332.423 2.625 50 0 EFAAHN Cc1ccccc1N1CCN([C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000082106933 132818520 /nfs/dbraw/zinc/81/85/20/132818520.db2.gz IXUGGDFYNTUPML-GOSISDBHSA-N 0 3 330.472 2.845 50 0 EFAAHN CCCCc1c(O)nc(SCCN(C)C)n(-c2ccccc2)c1=O ZINC000100476505 544560648 /nfs/dbraw/zinc/56/06/48/544560648.db2.gz GFBAQDHKPRQGAJ-UHFFFAOYSA-N 0 3 347.484 2.934 50 0 EFAAHN C[C@@](CO)(NCC1=CCCOC1)c1ccc(Br)cc1 ZINC000285553114 274023988 /nfs/dbraw/zinc/02/39/88/274023988.db2.gz QWVPPERAUVOCCW-HNNXBMFYSA-N 0 3 326.234 2.593 50 0 EFAAHN Cc1c2cc(F)ccc2oc1C(=O)N1CCOC12CCN(C)CC2 ZINC000013729035 274667438 /nfs/dbraw/zinc/66/74/38/274667438.db2.gz ANXXTMXUXOMMDN-UHFFFAOYSA-N 0 3 332.375 2.775 50 0 EFAAHN CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](N2CCCCC2)[C@H]1O ZINC000000293721 275883259 /nfs/dbraw/zinc/88/32/59/275883259.db2.gz HZFAZVKVQKOGJZ-SJLPKXTDSA-N 0 3 329.396 2.852 50 0 biogenic EFAAHN CC(C)CN1CCCn2nc(CNC(=O)CCC(F)(F)F)cc2C1 ZINC000082092705 277399277 /nfs/dbraw/zinc/39/92/77/277399277.db2.gz UGJHSDLVDXIZCG-UHFFFAOYSA-N 0 3 346.397 2.704 50 0 EFAAHN COc1cccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000019889886 278010335 /nfs/dbraw/zinc/01/03/35/278010335.db2.gz CNJDQQJIVOHZAX-HOTGVXAUSA-N 0 3 348.487 2.777 50 0 EFAAHN COc1ccccc1NC(=O)NC[C@H]1CCN(Cc2cccnc2)C1 ZINC000067982276 278057587 /nfs/dbraw/zinc/05/75/87/278057587.db2.gz NUMCUZMFFKYEGV-MRXNPFEDSA-N 0 3 340.427 2.734 50 0 EFAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cn2ccnc2)cc1 ZINC000077505530 289224818 /nfs/dbraw/zinc/22/48/18/289224818.db2.gz ZMKBSGNUCDOPFA-GOSISDBHSA-N 0 3 326.444 2.699 50 0 EFAAHN CS(=O)(=O)N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCCCC1 ZINC000004958063 295536707 /nfs/dbraw/zinc/53/67/07/295536707.db2.gz JQILUMBUNLQQNH-QZTJIDSGSA-N 0 3 330.453 2.971 50 0 EFAAHN CN(C)C(=O)c1ccc(NC[C@H](c2ccco2)N2CCCC2)nc1 ZINC000301234094 311125796 /nfs/dbraw/zinc/12/57/96/311125796.db2.gz KVBWZZXFERQNNE-OAHLLOKOSA-N 0 3 328.416 2.625 50 0 EFAAHN CN(C)C(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCC2)nc1 ZINC000301234092 311126004 /nfs/dbraw/zinc/12/60/04/311126004.db2.gz KVBWZZXFERQNNE-HNNXBMFYSA-N 0 3 328.416 2.625 50 0 EFAAHN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2NCc1ccccc1 ZINC000041105034 472044302 /nfs/dbraw/zinc/04/43/02/472044302.db2.gz PBDUGLIMFCWXND-QGZVFWFLSA-N 0 3 339.439 2.819 50 0 EFAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nnc(N)s1 ZINC000095499657 473213573 /nfs/dbraw/zinc/21/35/73/473213573.db2.gz BLZXVSNRELFKOP-LBPRGKRZSA-N 0 3 345.472 2.597 50 0 EFAAHN COCCN1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000095498885 473213892 /nfs/dbraw/zinc/21/38/92/473213892.db2.gz PJMSPSYIOVUALF-UHFFFAOYSA-N 0 3 330.472 2.580 50 0 EFAAHN CSCCc1nc([C@@H]2CCN(C)C2)n(Cc2ccc(F)cc2)n1 ZINC000095503325 473215073 /nfs/dbraw/zinc/21/50/73/473215073.db2.gz IASAUXAVCRBZMV-CQSZACIVSA-N 0 3 334.464 2.790 50 0 EFAAHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCC2)cc1 ZINC000095508409 473216636 /nfs/dbraw/zinc/21/66/36/473216636.db2.gz OLQRCSSVJRRHRB-FQEVSTJZSA-N 0 3 340.467 2.764 50 0 EFAAHN O=C(C1CCC1)N1CCCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095519416 473219141 /nfs/dbraw/zinc/21/91/41/473219141.db2.gz YKYLHGSXJWESKK-QGZVFWFLSA-N 0 3 342.483 2.962 50 0 EFAAHN O=C(C1CCC1)N1CCCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095519417 473219291 /nfs/dbraw/zinc/21/92/91/473219291.db2.gz YKYLHGSXJWESKK-KRWDZBQOSA-N 0 3 342.483 2.962 50 0 EFAAHN CCc1cc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)on1 ZINC000095518472 473219453 /nfs/dbraw/zinc/21/94/53/473219453.db2.gz UTVONZXVMIKIPZ-CQSZACIVSA-N 0 3 331.416 2.701 50 0 EFAAHN CCCc1nnc(N2CCC[C@H](c3nccn3CCN(C)C)C2)s1 ZINC000095525496 473219873 /nfs/dbraw/zinc/21/98/73/473219873.db2.gz ZQCICGALSLTJFB-AWEZNQCLSA-N 0 3 348.520 2.633 50 0 EFAAHN CCCc1nnc(NCc2cc3n(n2)CCCN(CCC)C3)s1 ZINC000082138611 473295747 /nfs/dbraw/zinc/29/57/47/473295747.db2.gz KKSNBMIQXCULMI-UHFFFAOYSA-N 0 3 334.493 2.915 50 0 EFAAHN COc1ccc(F)c(CN[C@@H]2CCOC3(CCOCC3)C2)c1F ZINC000082155719 473295774 /nfs/dbraw/zinc/29/57/74/473295774.db2.gz PYZBGRLUVMBNRD-GFCCVEGCSA-N 0 3 327.371 2.791 50 0 EFAAHN CC(C)NC(=O)c1ccc(-c2cccc(N3CCNCC3)c2)s1 ZINC000096131647 473309595 /nfs/dbraw/zinc/30/95/95/473309595.db2.gz MFUMJGRLKRSEOQ-UHFFFAOYSA-N 0 3 329.469 2.963 50 0 EFAAHN CN1CCC(Cc2noc(C3CCN(Cc4ccco4)CC3)n2)CC1 ZINC000096162313 473319928 /nfs/dbraw/zinc/31/99/28/473319928.db2.gz DQZIRUCDUXONBQ-UHFFFAOYSA-N 0 3 344.459 2.927 50 0 EFAAHN O=C(NC[C@@H]1COc2ccccc2C1)C1(N2CCCC2)CCCC1 ZINC000096151143 473316679 /nfs/dbraw/zinc/31/66/79/473316679.db2.gz DPDSVUFNTNZHHM-MRXNPFEDSA-N 0 3 328.456 2.763 50 0 EFAAHN CN1CCN(CCCNC(=O)Nc2ccc(-c3ccco3)cc2)CC1 ZINC000096160351 473320250 /nfs/dbraw/zinc/32/02/50/473320250.db2.gz SKWIVJJEVVDSQG-UHFFFAOYSA-N 0 3 342.443 2.706 50 0 EFAAHN Cc1ccc(Cn2nc(-c3ccccc3)nc2C[C@H]2CNCCO2)cc1 ZINC000096161883 473319380 /nfs/dbraw/zinc/31/93/80/473319380.db2.gz NFKYTRCRLHBCKX-IBGZPJMESA-N 0 3 348.450 2.833 50 0 EFAAHN COCCOc1cccc(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)c1 ZINC000096165907 473321483 /nfs/dbraw/zinc/32/14/83/473321483.db2.gz WOCJUAHRXJTDID-HNNXBMFYSA-N 0 3 347.459 2.802 50 0 EFAAHN CCc1nc2cc(NC(=O)N[C@@H]3CN4CCC3CC4)ccc2n1CC ZINC000096180398 473322575 /nfs/dbraw/zinc/32/25/75/473322575.db2.gz AILYKDPKNIQHRV-MRXNPFEDSA-N 0 3 341.459 2.834 50 0 EFAAHN Cc1nc(-c2nc(C[C@H]3CNCCO3)n(C3CCCCC3)n2)cs1 ZINC000096162158 473320342 /nfs/dbraw/zinc/32/03/42/473320342.db2.gz CFCPPPITCFNEKE-AWEZNQCLSA-N 0 3 347.488 2.746 50 0 EFAAHN CN(C)CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21 ZINC000096318996 473375466 /nfs/dbraw/zinc/37/54/66/473375466.db2.gz IXGJTGSPFBCMPT-SMDDNHRTSA-N 0 3 348.493 2.718 50 0 EFAAHN COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1 ZINC000000004716 471317277 /nfs/dbraw/zinc/31/72/77/471317277.db2.gz VNRNJNRVACIMAP-GOSISDBHSA-N 0 3 329.440 2.782 50 0 EFAAHN CN(c1ncnc2ccc(Br)cc21)C1CCN(C)CC1 ZINC000000099181 471323393 /nfs/dbraw/zinc/32/33/93/471323393.db2.gz NOPKPPIKSUUGKJ-UHFFFAOYSA-N 0 3 335.249 2.923 50 0 EFAAHN c1ccc(N2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000000207679 471334689 /nfs/dbraw/zinc/33/46/89/471334689.db2.gz RGRNCNJQNHRSLD-UHFFFAOYSA-N 0 3 336.483 2.868 50 0 EFAAHN O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCc2ccccc2C1 ZINC000000212881 471335878 /nfs/dbraw/zinc/33/58/78/471335878.db2.gz WFKHITGEJNDWAT-FQEVSTJZSA-N 0 3 335.451 2.879 50 0 EFAAHN CCOc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000000317170 471346699 /nfs/dbraw/zinc/34/66/99/471346699.db2.gz ZDNGDLMCRVXIQW-LJQANCHMSA-N 0 3 346.471 2.593 50 0 EFAAHN CC(C)(C)NC(=O)COc1ccc(CNCc2cccnc2)cc1 ZINC000000360048 471351039 /nfs/dbraw/zinc/35/10/39/471351039.db2.gz KVMCOGFNHZVKRV-UHFFFAOYSA-N 0 3 327.428 2.665 50 0 EFAAHN CC[C@@]1(C)C[C@](O)(CCNCc2ccc(OC)c(OC)c2)CCO1 ZINC000001774013 471398094 /nfs/dbraw/zinc/39/80/94/471398094.db2.gz LYWNZVLBDLLGAO-OALUTQOASA-N 0 3 337.460 2.894 50 0 biogenic EFAAHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000006454939 471545477 /nfs/dbraw/zinc/54/54/77/471545477.db2.gz OXWXXMDTFPNWGG-KBXCAEBGSA-N 0 3 328.412 2.736 50 0 EFAAHN Cn1nnnc1SCCNCc1ccc(-c2ccccc2)cc1 ZINC000006728981 471562882 /nfs/dbraw/zinc/56/28/82/471562882.db2.gz PRJZOCLMIOIGDG-UHFFFAOYSA-N 0 3 325.441 2.759 50 0 EFAAHN Cc1c(C(=O)NCCC(C)C)sc2ncnc(NCCN(C)C)c12 ZINC000015072807 471887726 /nfs/dbraw/zinc/88/77/26/471887726.db2.gz HGEGQTBMDIMRRM-UHFFFAOYSA-N 0 3 349.504 2.749 50 0 EFAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000016607253 471944291 /nfs/dbraw/zinc/94/42/91/471944291.db2.gz VOQYTUJQKRKBDI-UHFFFAOYSA-N 0 3 349.434 2.884 50 0 EFAAHN CCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000016605796 471944508 /nfs/dbraw/zinc/94/45/08/471944508.db2.gz NAVVAULOUFFLFJ-UHFFFAOYSA-N 0 3 325.250 2.592 50 0 EFAAHN Cc1ccn2cc(C(=O)N(C)Cc3cccc(CN(C)C)c3)nc2c1 ZINC000019113303 471977435 /nfs/dbraw/zinc/97/74/35/471977435.db2.gz SVQRZGSJVHFKBA-UHFFFAOYSA-N 0 3 336.439 2.977 50 0 EFAAHN Cc1[nH]c2c(cccc2F)c1CCN1CCN(c2cnccn2)CC1 ZINC000019742079 471984095 /nfs/dbraw/zinc/98/40/95/471984095.db2.gz PDAMAMGDWGZLLE-UHFFFAOYSA-N 0 3 339.418 2.770 50 0 EFAAHN CC1=NCCNC2=C1[C@H](c1ccccn1)N(c1ccc(F)cc1)C2=O ZINC000019874930 471986169 /nfs/dbraw/zinc/98/61/69/471986169.db2.gz HVNDNIONERSBQF-SFHVURJKSA-N 0 3 336.370 2.627 50 0 EFAAHN Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 ZINC000034998897 471992973 /nfs/dbraw/zinc/99/29/73/471992973.db2.gz XGJTUORNDQJFHC-UHFFFAOYSA-N 0 3 333.407 2.593 50 0 in-vitro EFAAHN CN1CCCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000025659063 472107067 /nfs/dbraw/zinc/10/70/67/472107067.db2.gz SVTHCNNBKJYCAB-HXUWFJFHSA-N 0 3 340.467 2.731 50 0 EFAAHN COc1ccc(CNC[C@@H](O)COc2cccc(C)c2)cc1OC ZINC000068049437 472127958 /nfs/dbraw/zinc/12/79/58/472127958.db2.gz ZYIFWAXAQFMLBC-MRXNPFEDSA-N 0 3 331.412 2.542 50 0 EFAAHN O=C1CC[C@@]2(CCCN(C/C=C/c3ccccc3)C2)CN1CCCO ZINC000085479073 472254627 /nfs/dbraw/zinc/25/46/27/472254627.db2.gz OQRADWPVJNLNSV-AZJBKQKUSA-N 0 3 342.483 2.787 50 0 EFAAHN CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1O ZINC000044941177 472354326 /nfs/dbraw/zinc/35/43/26/472354326.db2.gz HTDXSIZCZUGTAG-MOPGFXCFSA-N 0 3 330.472 2.661 50 0 EFAAHN COc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CCCCC3)no2)cc1 ZINC000032594177 472445161 /nfs/dbraw/zinc/44/51/61/472445161.db2.gz YPUAJBPTAVHIHN-CQSZACIVSA-N 0 3 343.427 2.954 50 0 EFAAHN CCc1nnc2n1C[C@H](NCc1ccc(Br)s1)CC2 ZINC000097199594 472474459 /nfs/dbraw/zinc/47/44/59/472474459.db2.gz OAJACSNFLXIFPW-SECBINFHSA-N 0 3 341.278 2.769 50 0 EFAAHN Cc1cn2c(CN[C@@H]3CCc4nnc(C(C)C)n4C3)c(C)nc2s1 ZINC000097199468 472474996 /nfs/dbraw/zinc/47/49/96/472474996.db2.gz VBUTWDFEGXCOLO-CYBMUJFWSA-N 0 3 344.488 2.832 50 0 EFAAHN CN(Cc1cc(-c2cccnc2)no1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077300745 472496821 /nfs/dbraw/zinc/49/68/21/472496821.db2.gz ZHTDHSUBYOUZCY-MRXNPFEDSA-N 0 3 343.427 2.897 50 0 EFAAHN Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077321496 472502734 /nfs/dbraw/zinc/50/27/34/472502734.db2.gz PIKUKRIKUXOGAM-KRWDZBQOSA-N 0 3 349.438 2.701 50 0 EFAAHN O=C(CCCN1CCCC[C@H]1CN1CCOCC1)c1ccc(F)cc1 ZINC000077323851 472503310 /nfs/dbraw/zinc/50/33/10/472503310.db2.gz YTUUIFJXLIJMNV-IBGZPJMESA-N 0 3 348.462 2.975 50 0 EFAAHN CCCc1ccc2oc(C(=O)NCC3(O)CCN(C)CC3)c(C)c2c1 ZINC000077356944 472511232 /nfs/dbraw/zinc/51/12/32/472511232.db2.gz FLBPXCHVFNIFRG-UHFFFAOYSA-N 0 3 344.455 2.880 50 0 EFAAHN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CN1CCCCCCC1 ZINC000077407532 472522415 /nfs/dbraw/zinc/52/24/15/472522415.db2.gz UWWFYLFJQBZWJT-HXUWFJFHSA-N 0 3 343.515 2.768 50 0 EFAAHN CC(=O)NCC[C@H]1CCCCN1Cc1nc2ccccc2nc1C ZINC000077438584 472527197 /nfs/dbraw/zinc/52/71/97/472527197.db2.gz RRLVDOVYJWMEIU-MRXNPFEDSA-N 0 3 326.444 2.819 50 0 EFAAHN COc1c(CNC2CCN(Cc3cccc(C)c3)CC2)c(C)nn1C ZINC000058311950 472543194 /nfs/dbraw/zinc/54/31/94/472543194.db2.gz IYAXRPKWPHWTOD-UHFFFAOYSA-N 0 3 342.487 2.800 50 0 EFAAHN COCCN1C[C@]2(CCCN(Cc3ccc(C)s3)C2)CCC1=O ZINC000077541095 472551361 /nfs/dbraw/zinc/55/13/61/472551361.db2.gz FDIXTFNGEMWYOH-GOSISDBHSA-N 0 3 336.501 2.908 50 0 EFAAHN CCN(C)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071575966 472553971 /nfs/dbraw/zinc/55/39/71/472553971.db2.gz REULTHGJKKAWDG-IBGZPJMESA-N 0 3 349.494 2.836 50 0 EFAAHN C[C@H](c1ccc(-c2nccn2CCN2CCOCC2)cc1)N(C)C ZINC000071721512 472556865 /nfs/dbraw/zinc/55/68/65/472556865.db2.gz NJRNMRMJOZMHFW-MRXNPFEDSA-N 0 3 328.460 2.505 50 0 EFAAHN FC(F)(F)[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000071730653 472556998 /nfs/dbraw/zinc/55/69/98/472556998.db2.gz RBKBWAZSDSYROT-INIZCTEOSA-N 0 3 328.378 2.914 50 0 EFAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccc(OC)cc2)[nH]1 ZINC000071747460 472558003 /nfs/dbraw/zinc/55/80/03/472558003.db2.gz UHCOSVDQNSDROM-HOTGVXAUSA-N 0 3 342.443 2.573 50 0 EFAAHN Cn1nccc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000071853504 472583941 /nfs/dbraw/zinc/58/39/41/472583941.db2.gz KHXJYFJSOFCHEM-ROUUACIJSA-N 0 3 338.455 2.689 50 0 EFAAHN CC(C)c1ccc([C@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000077753528 472601748 /nfs/dbraw/zinc/60/17/48/472601748.db2.gz IJSCUCPSKVBYMT-HNNXBMFYSA-N 0 3 333.476 2.627 50 0 EFAAHN COc1ccc(OC)c([C@H]2NCC[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000061717620 472715346 /nfs/dbraw/zinc/71/53/46/472715346.db2.gz HINAQJUAGMVCCT-MJGOQNOKSA-N 0 3 342.370 2.767 50 0 EFAAHN CC(C)(N)C(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091350499 472758205 /nfs/dbraw/zinc/75/82/05/472758205.db2.gz ANFYXXNVXKRZCM-GFCCVEGCSA-N 0 3 342.361 2.864 50 0 EFAAHN CC(C)(N)C(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091350498 472759094 /nfs/dbraw/zinc/75/90/94/472759094.db2.gz ANFYXXNVXKRZCM-LBPRGKRZSA-N 0 3 342.361 2.864 50 0 EFAAHN Cc1n[nH]c(C)c1CN1C[C@H](NC(=O)CC2CCC2)[C@@H](C2CC2)C1 ZINC000091547589 472776359 /nfs/dbraw/zinc/77/63/59/472776359.db2.gz NGTXSIIVTCGTDM-MSOLQXFVSA-N 0 3 330.476 2.543 50 0 EFAAHN CCC(CC)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000092019353 472845105 /nfs/dbraw/zinc/84/51/05/472845105.db2.gz LLLCWBSNPUCMIN-UHFFFAOYSA-N 0 3 332.492 2.941 50 0 EFAAHN Cc1ccc(C(=O)N2CCC(n3cc(C(C)(C)N)nn3)CC2)c(C)c1 ZINC000048379574 472870020 /nfs/dbraw/zinc/87/00/20/472870020.db2.gz GFPMVXJDWQCWKX-UHFFFAOYSA-N 0 3 341.459 2.566 50 0 EFAAHN C[C@@H](NCCc1csc(-c2cccnc2)n1)C(=O)NC1CCCC1 ZINC000065376393 472929600 /nfs/dbraw/zinc/92/96/00/472929600.db2.gz GGEJINLYNMFLRT-CYBMUJFWSA-N 0 3 344.484 2.785 50 0 EFAAHN Cc1ccc(C)c(NC(=O)CCNC(=O)CN2CCCCCC2)c1 ZINC000065393481 472932228 /nfs/dbraw/zinc/93/22/28/472932228.db2.gz ZZJZLXRUKKPRAF-UHFFFAOYSA-N 0 3 331.460 2.624 50 0 EFAAHN C[C@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1 ZINC000065395964 472932250 /nfs/dbraw/zinc/93/22/50/472932250.db2.gz GXGBREXULLGGDK-HNNXBMFYSA-N 0 3 348.462 2.911 50 0 EFAAHN CCn1ncnc1[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000065404846 472935425 /nfs/dbraw/zinc/93/54/25/472935425.db2.gz SPFSLKSFTPLQME-HNNXBMFYSA-N 0 3 341.459 2.775 50 0 EFAAHN COc1cc2c(cc1CN1CCC[C@H](Cn3ccnc3)C1)OCO2 ZINC000065460376 472947246 /nfs/dbraw/zinc/94/72/46/472947246.db2.gz QHRYSVJZYQFSIX-AWEZNQCLSA-N 0 3 329.400 2.533 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1csc(Br)c1)CC2 ZINC000065563805 472976153 /nfs/dbraw/zinc/97/61/53/472976153.db2.gz JJMQPLYKYQBGCA-SNVBAGLBSA-N 0 3 327.251 2.515 50 0 EFAAHN COc1ccc(Cl)cc1NC(=O)CCN1CCCO[C@H](C)C1 ZINC000170768905 473608598 /nfs/dbraw/zinc/60/85/98/473608598.db2.gz HPIZWJNHTFLOSJ-GFCCVEGCSA-N 0 3 326.824 2.788 50 0 EFAAHN CN(Cc1ccccc1OCCO)C[C@H]1Cc2ccccc2CN1C ZINC000216474435 474140833 /nfs/dbraw/zinc/14/08/33/474140833.db2.gz HXOAJINNPYAOEL-HXUWFJFHSA-N 0 3 340.467 2.546 50 0 EFAAHN Cc1ccc(CN(C(=O)CN2CC[C@H](N(C)C)C2)C2CCCC2)cc1 ZINC000252482695 474667801 /nfs/dbraw/zinc/66/78/01/474667801.db2.gz DMDINFFIYCMKOQ-FQEVSTJZSA-N 0 3 343.515 2.902 50 0 EFAAHN CC(C)CN1CCN(Cc2cncn2C2CCCCC2)C[C@@H]1CCO ZINC000252509475 474687454 /nfs/dbraw/zinc/68/74/54/474687454.db2.gz YOMXKHWOOZQTQH-IBGZPJMESA-N 0 3 348.535 2.913 50 0 EFAAHN Cc1cc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc2n1 ZINC000361815728 475777133 /nfs/dbraw/zinc/77/71/33/475777133.db2.gz SSUOVBPZALJREV-IBGZPJMESA-N 0 3 339.439 2.761 50 0 EFAAHN CN1CCN(C[C@@H]2CCCN(Cc3ccc(Cl)s3)C2)CC1 ZINC000371422284 477310606 /nfs/dbraw/zinc/31/06/06/477310606.db2.gz FCDXUENXACUUOZ-AWEZNQCLSA-N 0 3 327.925 2.861 50 0 EFAAHN Cc1nc2ccc(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)cc2o1 ZINC000426518900 477711582 /nfs/dbraw/zinc/71/15/82/477711582.db2.gz CUCFYCPNLHWKGL-MRXNPFEDSA-N 0 3 343.427 2.509 50 0 EFAAHN COc1cccc(CN2CCC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000426683797 477737535 /nfs/dbraw/zinc/73/75/35/477737535.db2.gz KISWJUGOXOCGDF-HXUWFJFHSA-N 0 3 338.455 2.978 50 0 EFAAHN Cc1cccc([C@H](CNC(=O)N(C)CCC2(O)CCCC2)N(C)C)c1 ZINC000534660602 478166990 /nfs/dbraw/zinc/16/69/90/478166990.db2.gz SZXAXMSDAJUJOM-SFHVURJKSA-N 0 3 347.503 2.934 50 0 EFAAHN COCCN1CCC[C@H](CN(C)C(=O)NCc2ccc(C)cc2C)C1 ZINC000534660282 478167301 /nfs/dbraw/zinc/16/73/01/478167301.db2.gz 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214266985 /nfs/dbraw/zinc/26/69/85/214266985.db2.gz RFNNSSUSTILAJC-UHFFFAOYSA-N 0 3 349.500 2.680 50 0 EFAAHN CCCC(=O)Nc1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000055271249 214298868 /nfs/dbraw/zinc/29/88/68/214298868.db2.gz VUQGYKBXJRSMFX-UHFFFAOYSA-N 0 3 331.460 2.570 50 0 EFAAHN O=C(NCc1ccc(Cl)nc1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055383935 214316077 /nfs/dbraw/zinc/31/60/77/214316077.db2.gz AZULIQLQMYZCNJ-AWEZNQCLSA-N 0 3 333.819 2.856 50 0 EFAAHN C[C@H](CO)CN(CCn1c(=O)oc2ccccc21)Cc1ccccc1 ZINC000055392924 214316639 /nfs/dbraw/zinc/31/66/39/214316639.db2.gz YYNWBRFGKRHIBS-INIZCTEOSA-N 0 3 340.423 2.725 50 0 EFAAHN CC(C)c1nnsc1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055393216 214316754 /nfs/dbraw/zinc/31/67/54/214316754.db2.gz LSAWPICOVXGXPR-ZDUSSCGKSA-N 0 3 348.472 2.783 50 0 EFAAHN Cc1ccccc1CN(CCN(C)C)C(=O)c1ccc2nccn2c1 ZINC000055358770 214311459 /nfs/dbraw/zinc/31/14/59/214311459.db2.gz VLJBUMZAYUBLKE-UHFFFAOYSA-N 0 3 336.439 2.847 50 0 EFAAHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1NC(=O)c1ccco1 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/nfs/dbraw/zinc/06/61/57/212066157.db2.gz GBGPSUOLCICWGQ-ZWKOTPCHSA-N 0 3 348.487 2.779 50 0 EFAAHN COc1ccc(F)c(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c1 ZINC000019742830 212060114 /nfs/dbraw/zinc/06/01/14/212060114.db2.gz QAWPBASEYNSNAD-KRWDZBQOSA-N 0 3 338.467 2.749 50 0 EFAAHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCSCC1 ZINC000426471580 247283005 /nfs/dbraw/zinc/28/30/05/247283005.db2.gz ODLTVPDXCWDIMA-QGZVFWFLSA-N 0 3 333.501 2.972 50 0 EFAAHN Cc1ccc2[nH]c(CNC(=O)N3CC[C@@H](N4CCCCC4)C3)nc2c1 ZINC000426492741 247286516 /nfs/dbraw/zinc/28/65/16/247286516.db2.gz DKTUXQNLDQCVDC-OAHLLOKOSA-N 0 3 341.459 2.641 50 0 EFAAHN CCOC(=O)c1cc(CNCCc2c[nH]c3ccc(F)cc23)on1 ZINC000012410842 211372050 /nfs/dbraw/zinc/37/20/50/211372050.db2.gz CUYZDJAUXMKNMI-UHFFFAOYSA-N 0 3 331.347 2.804 50 0 EFAAHN CN(CCN1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012385345 211365377 /nfs/dbraw/zinc/36/53/77/211365377.db2.gz WCXSRDLYZYTWPF-QGZVFWFLSA-N 0 3 349.519 2.502 50 0 EFAAHN C/C=C(\C)CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000012279586 211333275 /nfs/dbraw/zinc/33/32/75/211333275.db2.gz NDXBCYGUCUZLDV-CRKCGEKBSA-N 0 3 331.464 2.507 50 0 EFAAHN COc1cccc(CN2C(=O)CC[C@H]2CCNCc2cccnc2)c1 ZINC000012243766 211330144 /nfs/dbraw/zinc/33/01/44/211330144.db2.gz NBSBPMGCUQLNLV-SFHVURJKSA-N 0 3 339.439 2.761 50 0 EFAAHN CC(C)C[C@H](N)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 ZINC000011954357 211275017 /nfs/dbraw/zinc/27/50/17/211275017.db2.gz LSGZCNNNNMAOQL-INIZCTEOSA-N 0 3 329.444 2.688 50 0 EFAAHN CN1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000091411872 218002538 /nfs/dbraw/zinc/00/25/38/218002538.db2.gz SPVARHQPOAIAKF-KRWDZBQOSA-N 0 3 348.512 2.680 50 0 EFAAHN COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(C(C)C)cc1)C2 ZINC000091426064 218004440 /nfs/dbraw/zinc/00/44/40/218004440.db2.gz PNSFTIJUDAXBQU-RBUKOAKNSA-N 0 3 330.472 2.879 50 0 EFAAHN COCC[C@]1(O)CCN(CC2=Cc3cccc(OC)c3OC2)C[C@H]1C ZINC000091434863 218004892 /nfs/dbraw/zinc/00/48/92/218004892.db2.gz QHYYHVPYFHBXRR-FOIQADDNSA-N 0 3 347.455 2.580 50 0 EFAAHN COc1ccc(C)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000091434529 218004908 /nfs/dbraw/zinc/00/49/08/218004908.db2.gz HVGSOHBPKKXHGB-IAGOWNOFSA-N 0 3 328.456 2.950 50 0 EFAAHN CN1C[C@H]2CC[C@H](CN2C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000091460837 218009796 /nfs/dbraw/zinc/00/97/96/218009796.db2.gz VICJBHAKGFNMOZ-DZGCQCFKSA-N 0 3 326.362 2.801 50 0 EFAAHN Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)no1 ZINC000091476363 218012173 /nfs/dbraw/zinc/01/21/73/218012173.db2.gz WJVIOLCXUONXNU-IAGOWNOFSA-N 0 3 325.412 2.720 50 0 EFAAHN CCCc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)[nH]n1 ZINC000091624572 218033214 /nfs/dbraw/zinc/03/32/14/218033214.db2.gz LOTRJQTXGZZHEN-QGZVFWFLSA-N 0 3 340.471 2.972 50 0 EFAAHN CCn1nccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091505792 218015983 /nfs/dbraw/zinc/01/59/83/218015983.db2.gz NDMAPYLSLUMWHA-ZWKOTPCHSA-N 0 3 338.455 2.640 50 0 EFAAHN O=C1N(CC2CCC2)CCC[C@]1(O)CNCc1cccc(Cl)c1 ZINC000011879146 211262821 /nfs/dbraw/zinc/26/28/21/211262821.db2.gz STNZCYCLNRNMMV-SFHVURJKSA-N 0 3 336.863 2.583 50 0 EFAAHN O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1cccc(Cl)c1 ZINC000011879145 211262156 /nfs/dbraw/zinc/26/21/56/211262156.db2.gz STNZCYCLNRNMMV-GOSISDBHSA-N 0 3 336.863 2.583 50 0 EFAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cccc3c2OCO3)C1 ZINC000011842037 211256077 /nfs/dbraw/zinc/25/60/77/211256077.db2.gz KJJBMLVJJODFFI-LJQANCHMSA-N 0 3 349.427 2.597 50 0 EFAAHN CN(CCc1ccccn1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000011843739 211255771 /nfs/dbraw/zinc/25/57/71/211255771.db2.gz UPQVCFKBCDGWOL-SFHVURJKSA-N 0 3 343.496 2.851 50 0 EFAAHN CCC[C@@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091596156 218028971 /nfs/dbraw/zinc/02/89/71/218028971.db2.gz BZMKYLJTSUZYRT-OAHLLOKOSA-N 0 3 332.492 2.941 50 0 EFAAHN COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000091691625 218047622 /nfs/dbraw/zinc/04/76/22/218047622.db2.gz KSWAWCLGGIVDBA-JKSUJKDBSA-N 0 3 348.443 2.575 50 0 EFAAHN CCCc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)[nH]n1 ZINC000091707088 218051262 /nfs/dbraw/zinc/05/12/62/218051262.db2.gz IXNXQPZARWHMNH-INIZCTEOSA-N 0 3 340.471 2.890 50 0 EFAAHN OCc1ccc(C[C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000091645499 218038831 /nfs/dbraw/zinc/03/88/31/218038831.db2.gz PONJZEBJUQTEKM-GOSISDBHSA-N 0 3 325.408 2.972 50 0 EFAAHN Cc1cccc(-c2n[nH]cc2C(=O)N2C[C@H](N)[C@@H](c3ccccc3)C2)c1 ZINC000091738537 218055679 /nfs/dbraw/zinc/05/56/79/218055679.db2.gz YLAMEIKGQXZIPR-MOPGFXCFSA-N 0 3 346.434 2.952 50 0 EFAAHN COc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)cc1O ZINC000091757757 218061817 /nfs/dbraw/zinc/06/18/17/218061817.db2.gz LLMUERKCYLTVCX-DLBZAZTESA-N 0 3 344.455 2.790 50 0 EFAAHN CN1C[C@H]2CC[C@@H]1CN(Cc1c(-c3ccccc3)nc3ncccn13)C2 ZINC000091985449 218098295 /nfs/dbraw/zinc/09/82/95/218098295.db2.gz GQWWXSWUNSFTRW-SJLPKXTDSA-N 0 3 347.466 2.922 50 0 EFAAHN O=C(C1CCOCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091997279 218100457 /nfs/dbraw/zinc/10/04/57/218100457.db2.gz ZKNDMMXNKFOSEE-IEBWSBKVSA-N 0 3 328.456 2.536 50 0 EFAAHN COc1cccc([C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2N)c1 ZINC000092080445 218116792 /nfs/dbraw/zinc/11/67/92/218116792.db2.gz BXZVKHNWIBYEIV-MSOLQXFVSA-N 0 3 335.407 2.743 50 0 EFAAHN C[C@@H]1CN(CCOc2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000092081605 218117255 /nfs/dbraw/zinc/11/72/55/218117255.db2.gz CVUZHLVKCQZNIK-BEFAXECRSA-N 0 3 337.435 2.704 50 0 EFAAHN COC(=O)C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000010542169 211180863 /nfs/dbraw/zinc/18/08/63/211180863.db2.gz GOTJWXRWFVXPEZ-UHFFFAOYSA-N 0 3 344.455 2.698 50 0 EFAAHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2F)C1 ZINC000010544121 211180358 /nfs/dbraw/zinc/18/03/58/211180358.db2.gz PQIGMTCDNGBJJV-GJZGRUSLSA-N 0 3 342.480 2.613 50 0 EFAAHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1Cl ZINC000010279139 211159867 /nfs/dbraw/zinc/15/98/67/211159867.db2.gz BFQQDGBMRRVMMQ-UHFFFAOYSA-N 0 3 346.880 2.503 50 0 EFAAHN CCOc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1 ZINC000010111215 211148127 /nfs/dbraw/zinc/14/81/27/211148127.db2.gz QVQXVAGWWFILAB-UHFFFAOYSA-N 0 3 340.489 2.630 50 0 EFAAHN CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCCCCN2C)n1 ZINC000095356030 218289466 /nfs/dbraw/zinc/28/94/66/218289466.db2.gz FZGCSAWPUZXFTM-INIZCTEOSA-N 0 3 347.507 2.530 50 0 EFAAHN CN1CCC(n2nc(-c3cccnc3)nc2CCc2cccnc2)CC1 ZINC000095361347 218294644 /nfs/dbraw/zinc/29/46/44/218294644.db2.gz QRGQTFOWOSIZJQ-UHFFFAOYSA-N 0 3 348.454 2.787 50 0 EFAAHN Cc1nn(CCCNC(=O)[C@@H]2CCCCCN2C)c(C)c1Cl ZINC000095370915 218303663 /nfs/dbraw/zinc/30/36/63/218303663.db2.gz BQQWIPPFHJKPJO-AWEZNQCLSA-N 0 3 326.872 2.534 50 0 EFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000095372641 218304986 /nfs/dbraw/zinc/30/49/86/218304986.db2.gz QQYCFBBNSKPXLU-KRWDZBQOSA-N 0 3 332.492 2.731 50 0 EFAAHN CN(CCc1cnn(C)c1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095378666 218311358 /nfs/dbraw/zinc/31/13/58/218311358.db2.gz ZOJNPZHNFBJCMD-UHFFFAOYSA-N 0 3 340.471 2.721 50 0 EFAAHN COc1cccc([C@H]2CN(C(=O)C3CCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095390527 218322355 /nfs/dbraw/zinc/32/23/55/218322355.db2.gz 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471341288 /nfs/dbraw/zinc/34/12/88/471341288.db2.gz RKCXQHBLFWWRPA-UHFFFAOYSA-N 0 3 339.439 2.846 50 0 EFAAHN O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000000317910 471347321 /nfs/dbraw/zinc/34/73/21/471347321.db2.gz BDFJEVSZDGLBGP-MRXNPFEDSA-N 0 3 328.799 2.804 50 0 EFAAHN CCCCOC(=O)Cn1c2ccccc2n(CCN(CC)CC)c1=N ZINC000001761538 471397743 /nfs/dbraw/zinc/39/77/43/471397743.db2.gz AIFVERIOCINDRO-UHFFFAOYSA-N 0 3 346.475 2.607 50 0 EFAAHN C[C@H](NC[C@H](O)COC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000002686939 471416160 /nfs/dbraw/zinc/41/61/60/471416160.db2.gz FCYDSJVNZCQEOT-SZMVWBNQSA-N 0 3 343.423 2.555 50 0 EFAAHN CN1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000002872683 471426173 /nfs/dbraw/zinc/42/61/73/471426173.db2.gz UQMBRZFUWYTMQL-UHFFFAOYSA-N 0 3 331.641 2.927 50 0 EFAAHN c1nnc2c(N3CCN(C4CCCCC4)CC3)nc3ccccc3n12 ZINC000004709814 471472819 /nfs/dbraw/zinc/47/28/19/471472819.db2.gz JXXSVCJNNKYRGJ-UHFFFAOYSA-N 0 3 336.443 2.732 50 0 EFAAHN COc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1OC 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COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1 ZINC000013890091 471845062 /nfs/dbraw/zinc/84/50/62/471845062.db2.gz VNRNJNRVACIMAP-SFHVURJKSA-N 0 3 329.440 2.782 50 0 EFAAHN CCCc1ncc(CN2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000015062037 471888243 /nfs/dbraw/zinc/88/82/43/471888243.db2.gz AYQCCMFBLSGTNG-HXUWFJFHSA-N 0 3 342.487 2.654 50 0 EFAAHN CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618231 471992535 /nfs/dbraw/zinc/99/25/35/471992535.db2.gz LFDSZBZPFOTAFO-CYBMUJFWSA-N 0 3 332.473 2.735 50 0 EFAAHN CC[C@@H]1CCCC[N@H+]1CCCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618231 471992540 /nfs/dbraw/zinc/99/25/40/471992540.db2.gz LFDSZBZPFOTAFO-CYBMUJFWSA-N 0 3 332.473 2.735 50 0 EFAAHN CCn1ncc(CN2CC[C@H](CNC(=O)c3ccsc3)C2)c1C ZINC000067641732 472063554 /nfs/dbraw/zinc/06/35/54/472063554.db2.gz PUPLJVYJTWXTOS-CQSZACIVSA-N 0 3 332.473 2.525 50 0 EFAAHN CCN1CCN(C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC000028293535 472221065 /nfs/dbraw/zinc/22/10/65/472221065.db2.gz HMOQGXUNPZBNJS-UHFFFAOYSA-N 0 3 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Cc1nccn1-c1ccccc1CNC(=O)CN1CCCCCC1 ZINC000223369561 474184116 /nfs/dbraw/zinc/18/41/16/474184116.db2.gz SEUHDIMNJFPNFH-UHFFFAOYSA-N 0 3 326.444 2.673 50 0 EFAAHN O=C(Cc1ccsc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225687413 474235437 /nfs/dbraw/zinc/23/54/37/474235437.db2.gz PNJJQCFDGLKBOA-GOSISDBHSA-N 0 3 326.465 2.950 50 0 EFAAHN O=C(CN1CCN2CCC[C@H]2C1)Nc1nc(-c2ccccc2)cs1 ZINC000239302511 474544703 /nfs/dbraw/zinc/54/47/03/474544703.db2.gz FJZPPHKXPWZWRZ-HNNXBMFYSA-N 0 3 342.468 2.529 50 0 EFAAHN CCC1=NO[C@H](CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)C1 ZINC000244724166 474565639 /nfs/dbraw/zinc/56/56/39/474565639.db2.gz MOZAQIWFVWWGIF-IBGZPJMESA-N 0 3 343.471 2.912 50 0 EFAAHN Cc1ccc(CN(C(=O)CN2CC[C@@H](N(C)C)C2)C2CCCC2)cc1 ZINC000252482696 474668570 /nfs/dbraw/zinc/66/85/70/474668570.db2.gz DMDINFFIYCMKOQ-HXUWFJFHSA-N 0 3 343.515 2.902 50 0 EFAAHN Cc1nccn1CCC(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000299755130 476150460 /nfs/dbraw/zinc/15/04/60/476150460.db2.gz CHOZSVYNCLFMFK-UHFFFAOYSA-N 0 3 345.834 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/nfs/dbraw/zinc/17/60/09/241176009.db2.gz ZGLKJNFLXYDDHN-FQEVSTJZSA-N 0 3 336.483 2.714 50 0 EFAAHN COc1ccc(CN2CCCC[C@H]2CCN2CCN(C)CC2)c(F)c1 ZINC000216374668 241185382 /nfs/dbraw/zinc/18/53/82/241185382.db2.gz QFTRLQADWUJSKH-SFHVURJKSA-N 0 3 349.494 2.826 50 0 EFAAHN Cc1ccc(-c2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)o1 ZINC000215425919 241124980 /nfs/dbraw/zinc/12/49/80/241124980.db2.gz CBEUEWNIRDRGLE-UHFFFAOYSA-N 0 3 341.455 2.622 50 0 EFAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1cnc(-c2ccccn2)nc1 ZINC000215460706 241125971 /nfs/dbraw/zinc/12/59/71/241125971.db2.gz OOUXVWMNFDDJNZ-UHFFFAOYSA-N 0 3 336.443 2.943 50 0 EFAAHN CC(=O)Nc1ccc(CN2CCC(Cc3noc(C)n3)CC2)cc1 ZINC000215569046 241133066 /nfs/dbraw/zinc/13/30/66/241133066.db2.gz ZUVYNVVHFAUQFY-UHFFFAOYSA-N 0 3 328.416 2.791 50 0 EFAAHN CC[C@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1ccnn1C ZINC000218970313 241355201 /nfs/dbraw/zinc/35/52/01/241355201.db2.gz QJWQUUZGIONRGI-KRWDZBQOSA-N 0 3 340.471 2.651 50 0 EFAAHN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1cccc(CN2CCCCCC2)c1 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ZINC000244794941 243084425 /nfs/dbraw/zinc/08/44/25/243084425.db2.gz QWUHKMWYNBLXQU-HXUWFJFHSA-N 0 3 343.515 2.714 50 0 EFAAHN O=C(CSCCN1CCCC1)N1CCC(c2ccncc2)CC1 ZINC000244874473 243094229 /nfs/dbraw/zinc/09/42/29/243094229.db2.gz XBUUOULYGLTANY-UHFFFAOYSA-N 0 3 333.501 2.617 50 0 EFAAHN COC(=O)C1CCN(Cc2cc3ccc(SC)cc3[nH]c2=O)CC1 ZINC000067908486 202946363 /nfs/dbraw/zinc/94/63/63/202946363.db2.gz HHIGUBDIHFUBII-UHFFFAOYSA-N 0 3 346.452 2.635 50 0 EFAAHN CN(C)C[C@@H]1CSCCCN1C(=O)NCc1ccc(Cl)cc1 ZINC000090700240 203005012 /nfs/dbraw/zinc/00/50/12/203005012.db2.gz LFYVVHCHSDCEFY-OAHLLOKOSA-N 0 3 341.908 2.919 50 0 EFAAHN O=c1cc([C@H]2C[C@@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C2)nc[n-]1 ZINC000253535550 244010054 /nfs/dbraw/zinc/01/00/54/244010054.db2.gz BOXNWUDXIXPRFP-MAEOIBBWSA-N 0 3 338.455 2.682 50 0 EFAAHN CCCCOCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071776323 203113054 /nfs/dbraw/zinc/11/30/54/203113054.db2.gz ABBOMLIZZFPATB-CEWLAPEOSA-N 0 3 342.483 2.892 50 0 EFAAHN Cc1noc(C)c1CCN1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071589789 203100498 /nfs/dbraw/zinc/10/04/98/203100498.db2.gz HSDHDHQFEDJLRF-GOSISDBHSA-N 0 3 333.476 2.803 50 0 EFAAHN O=C([C@@H]1CCCN(Cc2c[nH]c3cc(=O)ccc-3c2)C1)N1CCCC1 ZINC000071614628 203101325 /nfs/dbraw/zinc/10/13/25/203101325.db2.gz BUDCPFWICWETCB-QGZVFWFLSA-N 0 3 339.439 2.775 50 0 EFAAHN CCn1c(=O)[nH]nc1CC1CCN(Cc2ccc3occc3c2)CC1 ZINC000071712282 203103365 /nfs/dbraw/zinc/10/33/65/203103365.db2.gz QEQALXBKCMSVIH-UHFFFAOYSA-N 0 3 340.427 2.792 50 0 EFAAHN COc1ccc2cc([C@H]3CN(C(=O)C4(N)CCC4)CCO3)ccc2c1 ZINC000071712230 203104179 /nfs/dbraw/zinc/10/41/79/203104179.db2.gz RSXFFZRHLHTGNF-GOSISDBHSA-N 0 3 340.423 2.630 50 0 EFAAHN O=C(c1ccccn1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071753672 203107739 /nfs/dbraw/zinc/10/77/39/203107739.db2.gz HSNCBBCZEOGNNA-DFQSSKMNSA-N 0 3 333.435 2.784 50 0 EFAAHN O=c1[nH]nc([C@H]2CCCN(CCc3ccccc3)C2)n1-c1ccccc1 ZINC000071762786 203110920 /nfs/dbraw/zinc/11/09/20/203110920.db2.gz CALBSKWMJVWCHC-SFHVURJKSA-N 0 3 348.450 2.983 50 0 EFAAHN CCOC(=O)C1CCN(CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000071863843 203131553 /nfs/dbraw/zinc/13/15/53/203131553.db2.gz GZOVZIMHCUQXPE-UHFFFAOYSA-N 0 3 328.453 2.519 50 0 EFAAHN CC[C@@H]1CN(Cc2cnc(N3CCCCC3)nc2)CCN1C(C)C ZINC000072124165 203165393 /nfs/dbraw/zinc/16/53/93/203165393.db2.gz IOFQXIJXCFAMEQ-GOSISDBHSA-N 0 3 331.508 2.772 50 0 EFAAHN CC(C)C/C=C(\CN1CCO[C@]2(C1)CNCCOC2)c1ccccc1 ZINC000072145408 203169967 /nfs/dbraw/zinc/16/99/67/203169967.db2.gz QOWBBMBXIOVWTP-JOYAQPMTSA-N 0 3 344.499 2.807 50 0 EFAAHN CNc1nc(CN(Cc2cccnc2)[C@H]2CN3CCC2CC3)cs1 ZINC000072156943 203175534 /nfs/dbraw/zinc/17/55/34/203175534.db2.gz OKLPGABWEBJSKD-KRWDZBQOSA-N 0 3 343.500 2.676 50 0 EFAAHN COc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072166974 203178977 /nfs/dbraw/zinc/17/89/77/203178977.db2.gz NAGYKFUVFIDKRG-NSISKUIASA-N 0 3 336.439 2.552 50 0 EFAAHN OC[C@@]12CCC[C@@H]1CN(Cc1cnc3c(-c4ccccc4)cnn3c1)C2 ZINC000072165148 203179958 /nfs/dbraw/zinc/17/99/58/203179958.db2.gz ZIOMQIQIPDZGFO-NQIIRXRSSA-N 0 3 348.450 2.991 50 0 EFAAHN Cc1ccccc1CC[C@H]1CCC[N@@H+](Cc2c(C)[nH]c(=O)[n-]c2=O)C1 ZINC000072167983 203181092 /nfs/dbraw/zinc/18/10/92/203181092.db2.gz KYGFWNPDINBKML-MRXNPFEDSA-N 0 3 341.455 2.525 50 0 EFAAHN Cc1ccccc1CC[C@H]1CCC[N@H+](Cc2c(C)[nH]c(=O)[n-]c2=O)C1 ZINC000072167983 203181096 /nfs/dbraw/zinc/18/10/96/203181096.db2.gz KYGFWNPDINBKML-MRXNPFEDSA-N 0 3 341.455 2.525 50 0 EFAAHN CC(C)(O)CCc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000072440555 203225858 /nfs/dbraw/zinc/22/58/58/203225858.db2.gz ZSHHQILSBPYTHS-GOSISDBHSA-N 0 3 330.472 2.700 50 0 EFAAHN Cc1cccnc1C[C@H](C)n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072454356 203226827 /nfs/dbraw/zinc/22/68/27/203226827.db2.gz NZVVWYZKZUCHGC-HNNXBMFYSA-N 0 3 336.443 2.747 50 0 EFAAHN Cc1ccc([C@H]2CN(Cc3nccn3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072454338 203227383 /nfs/dbraw/zinc/22/73/83/203227383.db2.gz RMGUYRLXOIJRGC-HMXCVIKNSA-N 0 3 336.483 2.791 50 0 EFAAHN CNc1nc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)ncc1F ZINC000072456890 203227631 /nfs/dbraw/zinc/22/76/31/203227631.db2.gz XDXGOCMEKDDKNI-OAHLLOKOSA-N 0 3 341.434 2.701 50 0 EFAAHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072469910 203229164 /nfs/dbraw/zinc/22/91/64/203229164.db2.gz ITLNFOKCWKUDSX-IBGZPJMESA-N 0 3 332.488 2.738 50 0 EFAAHN CN(Cc1ccoc1)c1nc(-c2cccnc2)nc2c1CCN(C)CC2 ZINC000072468905 203229472 /nfs/dbraw/zinc/22/94/72/203229472.db2.gz ZMUAFZJVHWQYTD-UHFFFAOYSA-N 0 3 349.438 2.798 50 0 EFAAHN C[C@@H](C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)n1cccn1 ZINC000072463661 203229665 /nfs/dbraw/zinc/22/96/65/203229665.db2.gz SUJXJVXCMHAKCK-CCLIWJKGSA-N 0 3 342.487 2.557 50 0 EFAAHN CN(C)c1ccc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 ZINC000072473208 203230655 /nfs/dbraw/zinc/23/06/55/203230655.db2.gz YAAQOFCDTLSQAE-FQEVSTJZSA-N 0 3 339.483 2.963 50 0 EFAAHN COC(=O)CCn1cc(CN2CC[C@H](c3ccccc3F)C2)cn1 ZINC000072475484 203230790 /nfs/dbraw/zinc/23/07/90/203230790.db2.gz ABBGUXXFAXESME-HNNXBMFYSA-N 0 3 331.391 2.575 50 0 EFAAHN CCc1n[nH]cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000072477779 203232096 /nfs/dbraw/zinc/23/20/96/203232096.db2.gz PNFSXVCLULMXNO-UHFFFAOYSA-N 0 3 340.471 2.753 50 0 EFAAHN CSc1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1 ZINC000072407425 203215826 /nfs/dbraw/zinc/21/58/26/203215826.db2.gz GXBHNEXKNAHTEZ-OAHLLOKOSA-N 0 3 348.512 2.981 50 0 EFAAHN CN(C[C@]1(C)CCN(C)C1)c1cc(-c2ccncc2)nc2ccnn21 ZINC000072481127 203233035 /nfs/dbraw/zinc/23/30/35/203233035.db2.gz MVMQJJFDCTXXAS-LJQANCHMSA-N 0 3 336.443 2.569 50 0 EFAAHN c1cn(-c2cccc(-c3c[nH]cn3)c2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072412170 203216904 /nfs/dbraw/zinc/21/69/04/203216904.db2.gz UIKCLKWPGIEDIM-UHFFFAOYSA-N 0 3 345.410 2.619 50 0 EFAAHN CC(C)(O)CCc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1 ZINC000072409741 203217479 /nfs/dbraw/zinc/21/74/79/203217479.db2.gz ABWHJJZPVJVDRL-UHFFFAOYSA-N 0 3 332.488 2.994 50 0 EFAAHN CC(=O)NCC1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072420140 203219114 /nfs/dbraw/zinc/21/91/14/203219114.db2.gz ZQMKCZLGZYYCDW-UHFFFAOYSA-N 0 3 332.488 2.738 50 0 EFAAHN c1cn(C[C@@H]2OCCc3ccccc32)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072423986 203219741 /nfs/dbraw/zinc/21/97/41/203219741.db2.gz YLADDMNBNAOHCM-IBGZPJMESA-N 0 3 349.438 2.554 50 0 EFAAHN CCN1CC2(CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)OC1=O ZINC000072422039 203220687 /nfs/dbraw/zinc/22/06/87/203220687.db2.gz GSMOUAXERFEVHJ-UHFFFAOYSA-N 0 3 346.456 2.945 50 0 EFAAHN O=C1CC[C@@]2(CCCN(c3ccncc3)C2)CN1Cc1ccccn1 ZINC000072424812 203221619 /nfs/dbraw/zinc/22/16/19/203221619.db2.gz DRUMOPHNHILURH-HXUWFJFHSA-N 0 3 336.439 2.886 50 0 EFAAHN CN1CCc2nc(-c3ccco3)nc(N[C@@H]3CCSC3)c2CC1 ZINC000072426073 203221664 /nfs/dbraw/zinc/22/16/64/203221664.db2.gz VQLNUCQTXKZBRN-GFCCVEGCSA-N 0 3 330.457 2.684 50 0 EFAAHN O=C(C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1)N1CCCC1 ZINC000073276324 203263124 /nfs/dbraw/zinc/26/31/24/203263124.db2.gz IIORRILJUABJOZ-UHFFFAOYSA-N 0 3 338.455 2.707 50 0 EFAAHN Cc1cccc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n1 ZINC000077288205 203377995 /nfs/dbraw/zinc/37/79/95/203377995.db2.gz FURUFDCDVNWXET-UHFFFAOYSA-N 0 3 335.451 2.705 50 0 EFAAHN O=C(C1CCOCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000077322433 203379987 /nfs/dbraw/zinc/37/99/87/203379987.db2.gz XJUDFIPIOCKZBC-UHFFFAOYSA-N 0 3 330.472 2.580 50 0 EFAAHN CC[C@@H](C(=O)N1CCN(Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000077319945 203380035 /nfs/dbraw/zinc/38/00/35/203380035.db2.gz MBYYCQPATKXBAN-SFHVURJKSA-N 0 3 349.906 2.859 50 0 EFAAHN c1ccc(-c2nc3c(c(NCC[C@H]4CCCCO4)n2)CCNC3)nc1 ZINC000077341939 203381208 /nfs/dbraw/zinc/38/12/08/203381208.db2.gz HHQDCIWJXHZERJ-CQSZACIVSA-N 0 3 339.443 2.555 50 0 EFAAHN CC(=O)NCC[C@H]1CCCCN1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000077354749 203382145 /nfs/dbraw/zinc/38/21/45/203382145.db2.gz NMCKNZFJIPTOLP-CQSZACIVSA-N 0 3 340.370 2.889 50 0 EFAAHN Cc1cc(N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)n1 ZINC000077440473 203388456 /nfs/dbraw/zinc/38/84/56/203388456.db2.gz ZNIQPRZUJZFXFG-IBGZPJMESA-N 0 3 345.491 2.622 50 0 EFAAHN Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)nc(N)n1 ZINC000077440475 203388464 /nfs/dbraw/zinc/38/84/64/203388464.db2.gz ZNIQPRZUJZFXFG-LJQANCHMSA-N 0 3 345.491 2.622 50 0 EFAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(N)nc1 ZINC000077469885 203390506 /nfs/dbraw/zinc/39/05/06/203390506.db2.gz CLWVZZGIVPMCGL-UHFFFAOYSA-N 0 3 338.455 2.648 50 0 EFAAHN O=c1cc(CNCc2n[nH]c3c2CCC3)[nH]c2ccc(Cl)cc12 ZINC000077518778 203393095 /nfs/dbraw/zinc/39/30/95/203393095.db2.gz DVQAAYUFMGTOPF-UHFFFAOYSA-N 0 3 328.803 2.683 50 0 EFAAHN c1cc(-c2ccc(CN3CCCC[C@H]3CN3CCOCC3)s2)n[nH]1 ZINC000077524215 203393486 /nfs/dbraw/zinc/39/34/86/203393486.db2.gz PYLUPZZXSUNLRE-HNNXBMFYSA-N 0 3 346.500 2.825 50 0 EFAAHN COc1ccccc1OC1CCN(C(=O)[C@@H](C)N2CCCC2)CC1 ZINC000077540157 203394364 /nfs/dbraw/zinc/39/43/64/203394364.db2.gz ZZHBZRCGUUNGSS-OAHLLOKOSA-N 0 3 332.444 2.549 50 0 EFAAHN COc1cc(CN[C@@H]2COc3ccccc3C2)cc(OC)c1OC ZINC000019771006 212063327 /nfs/dbraw/zinc/06/33/27/212063327.db2.gz NLUSVSBMYPIWKU-HNNXBMFYSA-N 0 3 329.396 2.806 50 0 EFAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@H]3C=C12 ZINC000019703191 212055875 /nfs/dbraw/zinc/05/58/75/212055875.db2.gz GGQNKELRRAZPBI-XKTCVQHVSA-N 0 3 332.488 2.548 50 0 biogenic EFAAHN Cc1ncsc1CN1C[C@H](NC(=O)CC(F)(F)F)[C@@H](C(C)C)C1 ZINC000091745715 203649705 /nfs/dbraw/zinc/64/97/05/203649705.db2.gz GEDCQSDPUXPCHS-NEPJUHHUSA-N 0 3 349.422 2.977 50 0 EFAAHN Cn1cccc1C(=O)N(CCc1ccccc1)C1CCN(C)CC1 ZINC000102797538 204051044 /nfs/dbraw/zinc/05/10/44/204051044.db2.gz QSKDTJIYUOCQPC-UHFFFAOYSA-N 0 3 325.456 2.804 50 0 EFAAHN OCc1cccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c1 ZINC000426387716 247272727 /nfs/dbraw/zinc/27/27/27/247272727.db2.gz OUXIAZBHOKVLPE-UYAOXDASSA-N 0 3 325.408 2.736 50 0 EFAAHN O=C(NC[C@@H]1CC12CCCCC2)N1CCN(c2ccncc2)CC1 ZINC000426388012 247274672 /nfs/dbraw/zinc/27/46/72/247274672.db2.gz STVFAHVYSSSAHW-INIZCTEOSA-N 0 3 328.460 2.884 50 0 EFAAHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cn2ccsc2n1 ZINC000091425311 218003966 /nfs/dbraw/zinc/00/39/66/218003966.db2.gz NKNADUYODXOWOP-OAHLLOKOSA-N 0 3 340.452 2.963 50 0 EFAAHN Cc1ccc([C@H]2CN(C(=O)Cc3c(C)[nH]c4ccccc43)C[C@@H]2N)o1 ZINC000091440780 218006344 /nfs/dbraw/zinc/00/63/44/218006344.db2.gz CNZRJUDGCKCTGC-IRXDYDNUSA-N 0 3 337.423 2.874 50 0 EFAAHN CN1CCN(Cc2ccccc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091460674 218009585 /nfs/dbraw/zinc/00/95/85/218009585.db2.gz UNYWMHUTXNYWHE-NRFANRHFSA-N 0 3 341.499 2.595 50 0 EFAAHN Cc1cccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)c1F ZINC000091871372 218081424 /nfs/dbraw/zinc/08/14/24/218081424.db2.gz UXPGEWIVYHNCTH-UHFFFAOYSA-N 0 3 348.462 2.721 50 0 EFAAHN CCN(CC)CCOC(=O)C[C@](C)(O)[C@@H]1CCO[C@@](C)(CC)C1 ZINC000012658449 207188865 /nfs/dbraw/zinc/18/88/65/207188865.db2.gz NJVWNHTWZNLWLA-NJAFHUGGSA-N 0 3 329.481 2.608 50 0 biogenic EFAAHN COc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cn1 ZINC000426597367 257961753 /nfs/dbraw/zinc/96/17/53/257961753.db2.gz GHNNDZZBCUTDIL-UHFFFAOYSA-N 0 3 339.439 2.973 50 0 EFAAHN O=C1CC[C@H](CCNCc2ccccn2)N1Cc1cccc(F)c1 ZINC000299770665 258083290 /nfs/dbraw/zinc/08/32/90/258083290.db2.gz ULYUZZOUBDDQAL-GOSISDBHSA-N 0 3 327.403 2.892 50 0 EFAAHN CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCNC2 ZINC000299770842 258083342 /nfs/dbraw/zinc/08/33/42/258083342.db2.gz RMPZFHQYYALEDJ-UHFFFAOYSA-N 0 3 327.453 2.688 50 0 EFAAHN CO[C@]12CCN(Cc3ccc4cccc(F)c4n3)[C@H]1C[C@@H](O)CC2 ZINC000299773121 258085553 /nfs/dbraw/zinc/08/55/53/258085553.db2.gz AQVBOILPLHACIS-VDZJLULYSA-N 0 3 330.403 2.878 50 0 EFAAHN CSCC[C@H](N)C(=O)NCCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000299778134 258087541 /nfs/dbraw/zinc/08/75/41/258087541.db2.gz PJSXTXAVKGWHEJ-AWEZNQCLSA-N 0 3 339.892 2.869 50 0 EFAAHN Cc1cc(CC(=O)N2CCCN(CCCc3ccccc3)CC2)on1 ZINC000299781360 258090188 /nfs/dbraw/zinc/09/01/88/258090188.db2.gz WVOQEPMQUWOGPO-UHFFFAOYSA-N 0 3 341.455 2.693 50 0 EFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)Nc1cnns1 ZINC000299783256 258091109 /nfs/dbraw/zinc/09/11/09/258091109.db2.gz ZJBUFBAUXFEHFV-UHFFFAOYSA-N 0 3 325.463 2.504 50 0 EFAAHN O=C(NCCN1CCC(CO)CC1)[C@H](c1ccccc1)C1CCCC1 ZINC000299796372 258100497 /nfs/dbraw/zinc/10/04/97/258100497.db2.gz MIGYBWSVOJPGAL-HXUWFJFHSA-N 0 3 344.499 2.781 50 0 EFAAHN CN(C)c1nc2cc(F)ccc2cc1CNCCCN1CCCC1=O ZINC000299761699 258078477 /nfs/dbraw/zinc/07/84/77/258078477.db2.gz MYQUHQYCYQEZLD-UHFFFAOYSA-N 0 3 344.434 2.542 50 0 EFAAHN COc1cccc(CN2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1OC ZINC000299768708 258082645 /nfs/dbraw/zinc/08/26/45/258082645.db2.gz OTWPSHODULAMPL-VDZJLULYSA-N 0 3 335.444 2.862 50 0 EFAAHN CCOCCN1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077407457 276318142 /nfs/dbraw/zinc/31/81/42/276318142.db2.gz VIDWLKPIIGVIGJ-OAQYLSRUSA-N 0 3 344.499 2.970 50 0 EFAAHN CCN(CC)[C@H](CNc1nc(C)nc2c1cnn2C)c1ccco1 ZINC000067383226 276340586 /nfs/dbraw/zinc/34/05/86/276340586.db2.gz LHYOLIBQDLKVLF-CQSZACIVSA-N 0 3 328.420 2.760 50 0 EFAAHN CN(C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1F)N(C)C ZINC000091973988 289226017 /nfs/dbraw/zinc/22/60/17/289226017.db2.gz XIITXYYSJKSNSK-IBGZPJMESA-N 0 3 343.446 2.806 50 0 EFAAHN CCN1CCC[C@H]1CNC(=O)c1cn(CCOC)c2ccccc12 ZINC000095474526 473211510 /nfs/dbraw/zinc/21/15/10/473211510.db2.gz CSEFWAAJNNJZNA-HNNXBMFYSA-N 0 3 329.444 2.502 50 0 EFAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2N(C)C)cc1 ZINC000095501838 473214905 /nfs/dbraw/zinc/21/49/05/473214905.db2.gz YGJQNXVSKWQKTD-FUHWJXTLSA-N 0 3 327.403 2.699 50 0 EFAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000095504611 473215474 /nfs/dbraw/zinc/21/54/74/473215474.db2.gz HFNYCFMZTFFSPS-KRWDZBQOSA-N 0 3 346.434 2.531 50 0 EFAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095504611 473215478 /nfs/dbraw/zinc/21/54/78/473215478.db2.gz HFNYCFMZTFFSPS-KRWDZBQOSA-N 0 3 346.434 2.531 50 0 EFAAHN CN(C)CCn1ccnc1[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000095511635 473216585 /nfs/dbraw/zinc/21/65/85/473216585.db2.gz DKOGPAGOAAORBI-HNNXBMFYSA-N 0 3 339.443 2.970 50 0 EFAAHN CCCc1nc(C)cc(N2CCC(NCc3cc(C)n[nH]3)CC2)n1 ZINC000095511578 473216819 /nfs/dbraw/zinc/21/68/19/473216819.db2.gz KQQAIXCFTWIOIU-UHFFFAOYSA-N 0 3 328.464 2.528 50 0 EFAAHN Cn1ccc2ccc(C(=O)N3CCCO[C@@H](CN4CCCC4)C3)cc21 ZINC000095522335 473219245 /nfs/dbraw/zinc/21/92/45/473219245.db2.gz JUJBUUVAFUIVFI-SFHVURJKSA-N 0 3 341.455 2.505 50 0 EFAAHN Cc1c[nH]c(C(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)n1 ZINC000095529776 473221080 /nfs/dbraw/zinc/22/10/80/473221080.db2.gz IWIKEWNTMMJVJG-SFHVURJKSA-N 0 3 340.471 2.745 50 0 EFAAHN C[C@@H](O)c1cccc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000095530453 473221879 /nfs/dbraw/zinc/22/18/79/473221879.db2.gz CCIPODQLAQRISF-OAHLLOKOSA-N 0 3 329.419 2.986 50 0 EFAAHN CC(C)Cc1ccc(CN2CCC[C@H](NS(C)(=O)=O)CC2)s1 ZINC000082116351 473292393 /nfs/dbraw/zinc/29/23/93/473292393.db2.gz YUCUVYYNTIADLR-AWEZNQCLSA-N 0 3 344.546 2.850 50 0 EFAAHN CC[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2F)CCN1C(C)C ZINC000082120182 473293081 /nfs/dbraw/zinc/29/30/81/473293081.db2.gz HNGAWGBHOCNLFR-CYBMUJFWSA-N 0 3 328.378 2.978 50 0 EFAAHN Cc1cc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)ccc1F ZINC000082136867 473293575 /nfs/dbraw/zinc/29/35/75/473293575.db2.gz HWBQHUQAIBCCCX-HXUWFJFHSA-N 0 3 348.462 2.721 50 0 EFAAHN CCC(=O)c1ccc(OCC(=O)N2CCCC[C@H](N(C)C)C2)cc1 ZINC000082126046 473294248 /nfs/dbraw/zinc/29/42/48/473294248.db2.gz WAPXEZRIBFPRDL-INIZCTEOSA-N 0 3 332.444 2.601 50 0 EFAAHN CSc1nc(N)cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 ZINC000082146945 473296426 /nfs/dbraw/zinc/29/64/26/473296426.db2.gz KHXDNASRJVKKDF-CYBMUJFWSA-N 0 3 344.488 2.771 50 0 EFAAHN CC(C)(C)OC(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 ZINC000147210981 473307865 /nfs/dbraw/zinc/30/78/65/473307865.db2.gz SXQFCTNCKGGCEW-UHFFFAOYSA-N 0 3 334.460 2.928 50 0 EFAAHN Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccsc2)CC1 ZINC000096136392 473311107 /nfs/dbraw/zinc/31/11/07/473311107.db2.gz DNVUDHYXSRDEMR-UHFFFAOYSA-N 0 3 342.472 2.501 50 0 EFAAHN CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C)o2)CC1 ZINC000096140638 473313358 /nfs/dbraw/zinc/31/33/58/473313358.db2.gz BUEHKFRHNXFRBG-UHFFFAOYSA-N 0 3 331.464 2.641 50 0 EFAAHN COCCN(C(=O)Nc1cc(OC)ccc1C)C1CCN(C)CC1 ZINC000096162241 473319678 /nfs/dbraw/zinc/31/96/78/473319678.db2.gz YQYUXIDMNPRLRR-UHFFFAOYSA-N 0 3 335.448 2.578 50 0 EFAAHN C[C@H](Cc1nc(CC2CCN(C)CC2)nn1CCO)c1ccccc1 ZINC000096161850 473320444 /nfs/dbraw/zinc/32/04/44/473320444.db2.gz CGPYLTPTWJBRIH-MRXNPFEDSA-N 0 3 342.487 2.501 50 0 EFAAHN O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000100458 471322735 /nfs/dbraw/zinc/32/27/35/471322735.db2.gz WLNUACLYCDXSIO-MRXNPFEDSA-N 0 3 328.799 2.804 50 0 EFAAHN CCN(CC)CCn1c2ccccc2n(CC(=O)c2ccco2)c1=N ZINC000000182192 471331171 /nfs/dbraw/zinc/33/11/71/471331171.db2.gz PMKQDYNOUBEMDB-UHFFFAOYSA-N 0 3 340.427 2.740 50 0 EFAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000000176270 471331893 /nfs/dbraw/zinc/33/18/93/471331893.db2.gz DIPYKFHAIZSMGP-KRWDZBQOSA-N 0 3 344.455 2.779 50 0 EFAAHN Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCCN(C)C)c1C ZINC000000293595 471343313 /nfs/dbraw/zinc/34/33/13/471343313.db2.gz LYDVKJBWLIXPBX-UHFFFAOYSA-N 0 3 345.468 2.909 50 0 EFAAHN CCN(CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C ZINC000000390502 471354583 /nfs/dbraw/zinc/35/45/83/471354583.db2.gz YUGJLXLFBFLSGF-UHFFFAOYSA-N 0 3 342.443 2.547 50 0 EFAAHN O=C(CCN1CCCC[C@@H]1c1cccnc1)NCN1CCCCC1 ZINC000000486097 471365578 /nfs/dbraw/zinc/36/55/78/471365578.db2.gz QWRXNRWLIDVDJT-GOSISDBHSA-N 0 3 330.476 2.558 50 0 biogenic EFAAHN COc1cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1O ZINC000000819212 471377297 /nfs/dbraw/zinc/37/72/97/471377297.db2.gz RZCGOZFZSZDJDF-OAHLLOKOSA-N 0 3 346.471 2.871 50 0 EFAAHN CCOC(=O)C1CCN(C[C@@H](O)CO[C@@H](CC)c2ccccc2)CC1 ZINC000002694603 471416389 /nfs/dbraw/zinc/41/63/89/471416389.db2.gz CKONUNUKDQTABY-MOPGFXCFSA-N 0 3 349.471 2.790 50 0 EFAAHN CCOC(=O)C1CCN(C[C@H](O)CO[C@H](CC)c2ccccc2)CC1 ZINC000002694607 471416674 /nfs/dbraw/zinc/41/66/74/471416674.db2.gz CKONUNUKDQTABY-RBUKOAKNSA-N 0 3 349.471 2.790 50 0 EFAAHN CN(C)CCOC(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000002750838 471418498 /nfs/dbraw/zinc/41/84/98/471418498.db2.gz OFFMBALEWPTJLY-UHFFFAOYSA-N 0 3 337.313 2.822 50 0 EFAAHN C[C@H](NC[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000004023017 471456778 /nfs/dbraw/zinc/45/67/78/471456778.db2.gz HEBNAYZDCNQROW-KSMMKXTCSA-N 0 3 327.380 2.645 50 0 biogenic EFAAHN Cc1c(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc2n1C ZINC000004062696 471458329 /nfs/dbraw/zinc/45/83/29/471458329.db2.gz FFFGMMRZHUXEJI-UHFFFAOYSA-N 0 3 341.455 2.662 50 0 EFAAHN C[C@@H](CN1CCCC1)OC(=O)COc1ccc(Br)cc1 ZINC000004723162 471472688 /nfs/dbraw/zinc/47/26/88/471472688.db2.gz NMFJUBUIQUYPCN-LBPRGKRZSA-N 0 3 342.233 2.855 50 0 EFAAHN CN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004981347 471481912 /nfs/dbraw/zinc/48/19/12/471481912.db2.gz UVLWLYGPCRPEJB-UHFFFAOYSA-N 0 3 327.394 2.922 50 0 EFAAHN CCCN1CCC(NC(=S)Nc2ccc(OC)c(OC)c2)CC1 ZINC000005041884 471484268 /nfs/dbraw/zinc/48/42/68/471484268.db2.gz HCVSVMKBZZBYHE-UHFFFAOYSA-N 0 3 337.489 2.865 50 0 EFAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000005270171 471496570 /nfs/dbraw/zinc/49/65/70/471496570.db2.gz QSVSVPXVBUMLQM-AWEZNQCLSA-N 0 3 334.460 2.760 50 0 EFAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN(C)C1CCN(C)CC1 ZINC000008717534 471701059 /nfs/dbraw/zinc/70/10/59/471701059.db2.gz NKKOZBDNURQYJW-UHFFFAOYSA-N 0 3 342.487 2.841 50 0 EFAAHN CC(C)c1ccc([C@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000008913866 471706826 /nfs/dbraw/zinc/70/68/26/471706826.db2.gz KMJPPKARCCNADU-INIZCTEOSA-N 0 3 333.395 2.616 50 0 EFAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N(C)C)cc1 ZINC000010017937 471725767 /nfs/dbraw/zinc/72/57/67/471725767.db2.gz ACGTZGHZXYETKQ-SFHVURJKSA-N 0 3 330.403 2.932 50 0 EFAAHN CN(C(=O)c1cnccn1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012001825 471762228 /nfs/dbraw/zinc/76/22/28/471762228.db2.gz VGOVHWCLKVQXLW-SFHVURJKSA-N 0 3 338.455 2.646 50 0 EFAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000012206733 471769350 /nfs/dbraw/zinc/76/93/50/471769350.db2.gz ZBEOIYWEIPIGHG-HXUWFJFHSA-N 0 3 347.455 2.803 50 0 EFAAHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCN(C)CC1 ZINC000012380611 471773498 /nfs/dbraw/zinc/77/34/98/471773498.db2.gz YUJBDISQHQRHJN-JTQLQIEISA-N 0 3 331.243 2.971 50 0 EFAAHN C/C=C(\C)CNCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012387310 471774615 /nfs/dbraw/zinc/77/46/15/471774615.db2.gz PVLSBMRJCAVJQA-IJUHEHPCSA-N 0 3 337.471 2.859 50 0 EFAAHN O=C(NC[C@@H]1CCCN(Cc2ccncc2)C1)c1ccc(F)cc1 ZINC000012448774 471776788 /nfs/dbraw/zinc/77/67/88/471776788.db2.gz KUJCSMNDMFWZFZ-INIZCTEOSA-N 0 3 327.403 2.863 50 0 EFAAHN Cc1ccc(F)cc1CNC[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012752598 471793313 /nfs/dbraw/zinc/79/33/13/471793313.db2.gz YSXDKGGNYKSJJB-IBGZPJMESA-N 0 3 336.451 2.623 50 0 EFAAHN Cc1nnsc1C(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 ZINC000012762513 471794365 /nfs/dbraw/zinc/79/43/65/471794365.db2.gz RMZYRMQLPVVICF-HNNXBMFYSA-N 0 3 330.457 2.583 50 0 EFAAHN Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCN(C)C)cc2s1 ZINC000013735827 471843117 /nfs/dbraw/zinc/84/31/17/471843117.db2.gz CRDNIYUFYOTXIT-UHFFFAOYSA-N 0 3 342.468 2.995 50 0 EFAAHN COc1ccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000013748068 471843258 /nfs/dbraw/zinc/84/32/58/471843258.db2.gz YODNBRNXOMARSA-IYBDPMFKSA-N 0 3 348.487 2.777 50 0 EFAAHN Cn1cc(CN[C@H]2CCCN(c3ncccn3)C2)c(-c2ccccc2)n1 ZINC000014971439 471884629 /nfs/dbraw/zinc/88/46/29/471884629.db2.gz NTAVLVNEAIXEAQ-SFHVURJKSA-N 0 3 348.454 2.636 50 0 EFAAHN COc1cc(C[C@H]2CC(CN3CCCCC3)=NO2)cc2c1OCO2 ZINC000015085672 471888965 /nfs/dbraw/zinc/88/89/65/471888965.db2.gz PWBNIKLMOZLDGM-HNNXBMFYSA-N 0 3 332.400 2.597 50 0 EFAAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCC(N)=O)CC2 ZINC000015083053 471889283 /nfs/dbraw/zinc/88/92/83/471889283.db2.gz YMVNEOZGJQBOGY-HXUWFJFHSA-N 0 3 340.423 2.527 50 0 biogenic EFAAHN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(C2CCCCC2)CC1 ZINC000017072019 471956086 /nfs/dbraw/zinc/95/60/86/471956086.db2.gz HEUYHXUSDPFPCU-UHFFFAOYSA-N 0 3 345.443 2.940 50 0 EFAAHN CCN1CCC(NC(=S)Nc2sc(C)cc2C(=O)OC)CC1 ZINC000017071473 471956535 /nfs/dbraw/zinc/95/65/35/471956535.db2.gz 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ZINC000067540753 472046595 /nfs/dbraw/zinc/04/65/95/472046595.db2.gz PNBMHLGVCMMFOQ-QGZVFWFLSA-N 0 3 332.492 2.814 50 0 EFAAHN O=C1CCC2(CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)CCN1 ZINC000067562997 472050692 /nfs/dbraw/zinc/05/06/92/472050692.db2.gz NZOLIIVCTCWOJS-UHFFFAOYSA-N 0 3 328.416 2.552 50 0 EFAAHN C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000067714158 472078760 /nfs/dbraw/zinc/07/87/60/472078760.db2.gz IUHWCKHDTSXDSE-WTWVRAIASA-N 0 3 331.441 2.891 50 0 EFAAHN CC(C)n1ccc(CN2CC[C@H](CNC(=O)c3ccncc3)C2)c1 ZINC000067725516 472079146 /nfs/dbraw/zinc/07/91/46/472079146.db2.gz TWANTXJGFNMWGL-MRXNPFEDSA-N 0 3 326.444 2.716 50 0 EFAAHN C/C=C(\C)CN1CCC(CNS(=O)(=O)c2ccccc2C)CC1 ZINC000067772596 472087697 /nfs/dbraw/zinc/08/76/97/472087697.db2.gz UQUJNBLHSGOGMX-SYZQJQIISA-N 0 3 336.501 2.952 50 0 EFAAHN Cc1ccc(-c2nc(CNC(=O)C3(N)CC3)[nH]c2-c2ccccn2)cc1 ZINC000067773390 472088092 /nfs/dbraw/zinc/08/80/92/472088092.db2.gz KDPSIZLJDJZHML-UHFFFAOYSA-N 0 3 347.422 2.555 50 0 EFAAHN Cc1ccc(-c2[nH]c(CNC(=O)C3(N)CC3)nc2-c2ccccn2)cc1 ZINC000067773390 472088096 /nfs/dbraw/zinc/08/80/96/472088096.db2.gz KDPSIZLJDJZHML-UHFFFAOYSA-N 0 3 347.422 2.555 50 0 EFAAHN C[C@@H]1CN(C2CCN(Cc3cc(C(C)(C)C)n[nH]3)CC2)C[C@H](C)O1 ZINC000067789600 472089135 /nfs/dbraw/zinc/08/91/35/472089135.db2.gz WAPFOLFTKWGKAL-GASCZTMLSA-N 0 3 334.508 2.781 50 0 EFAAHN C=Cc1cccc(CN2CCC[C@]3(CCN(C(=O)COC)C3)C2)c1 ZINC000067788266 472090003 /nfs/dbraw/zinc/09/00/03/472090003.db2.gz SUWQZKKHVHCPBT-FQEVSTJZSA-N 0 3 328.456 2.791 50 0 EFAAHN CN1CCN(CCCn2ccnc2-c2ccc(F)cc2Cl)CC1 ZINC000067802978 472091225 /nfs/dbraw/zinc/09/12/25/472091225.db2.gz JALMDCCDZIFXHN-UHFFFAOYSA-N 0 3 336.842 2.980 50 0 EFAAHN Cc1ccc2c(c1)c(-c1nc(CC3CCN(C)CC3)no1)nn2C ZINC000067856068 472098873 /nfs/dbraw/zinc/09/88/73/472098873.db2.gz HQXIKSWIZWDAHI-UHFFFAOYSA-N 0 3 325.416 2.816 50 0 EFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)c3cnco3)C2)c(C)c1F ZINC000067868844 472102240 /nfs/dbraw/zinc/10/22/40/472102240.db2.gz XSLAIMWNCJESRT-CQSZACIVSA-N 0 3 331.391 2.682 50 0 EFAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccncn3)C2)cc1C ZINC000067879015 472103066 /nfs/dbraw/zinc/10/30/66/472103066.db2.gz SOOIBDFFMQJYHY-SFHVURJKSA-N 0 3 338.455 2.735 50 0 EFAAHN CCn1nc(C)c(NC(=O)CNCCc2c[nH]c3ccccc23)c1C ZINC000067895304 472107079 /nfs/dbraw/zinc/10/70/79/472107079.db2.gz DASXZBYIEYMFEC-UHFFFAOYSA-N 0 3 339.443 2.772 50 0 EFAAHN CN1[C@@H]2CC[C@H]1CCN(c1cc(Sc3cccs3)nc(N)n1)C2 ZINC000067921090 472109677 /nfs/dbraw/zinc/10/96/77/472109677.db2.gz QPIMEFGAPMDSCQ-NWDGAFQWSA-N 0 3 347.513 2.944 50 0 EFAAHN O=C(NC[C@@H]1CCCN(Cc2ccncc2)C1)C1(C(F)(F)F)CC1 ZINC000067935432 472111337 /nfs/dbraw/zinc/11/13/37/472111337.db2.gz ZXBDBXAWLWZIQP-AWEZNQCLSA-N 0 3 341.377 2.752 50 0 EFAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)COc2cccnc2)cc1 ZINC000067947658 472113639 /nfs/dbraw/zinc/11/36/39/472113639.db2.gz DRYMERJZWVITKF-LJQANCHMSA-N 0 3 339.439 2.886 50 0 EFAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1NC(=O)C(C)C ZINC000055183205 472149154 /nfs/dbraw/zinc/14/91/54/472149154.db2.gz HCZGHXPETDMZEC-OAHLLOKOSA-N 0 3 331.460 2.804 50 0 EFAAHN Cc1ccnc(C[C@@H](C)N(C)CCn2c3ccccc3oc2=O)c1 ZINC000055271812 472160234 /nfs/dbraw/zinc/16/02/34/472160234.db2.gz FPOCPBVTJRFNOK-OAHLLOKOSA-N 0 3 325.412 2.861 50 0 EFAAHN CC[C@@H](CO)N(CCn1c(=O)oc2ccccc21)Cc1ccsc1 ZINC000055282896 472163323 /nfs/dbraw/zinc/16/33/23/472163323.db2.gz JXZIZAHXRVYDLJ-HNNXBMFYSA-N 0 3 346.452 2.929 50 0 EFAAHN COc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cn1 ZINC000027931633 472203491 /nfs/dbraw/zinc/20/34/91/472203491.db2.gz UNZCFEWHPPQYSS-UHFFFAOYSA-N 0 3 339.439 2.527 50 0 EFAAHN CN1CCN([C@H]2CCN(Cc3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000097474971 472498796 /nfs/dbraw/zinc/49/87/96/472498796.db2.gz NBHJFVPVESZZTI-KRWDZBQOSA-N 0 3 344.890 2.710 50 0 EFAAHN COCc1cc(CN2CCC[C@H](Cn3ccnc3)C2)ccc1OC ZINC000097515011 472499334 /nfs/dbraw/zinc/49/93/34/472499334.db2.gz XDAQBUJIHJEPCK-KRWDZBQOSA-N 0 3 329.444 2.950 50 0 EFAAHN CC1=C(CCN2CCN(CCn3cncn3)CC2)C(C)(C)CCC1 ZINC000097601137 472501500 /nfs/dbraw/zinc/50/15/00/472501500.db2.gz HOQRAIXJXLJEQD-UHFFFAOYSA-N 0 3 331.508 2.812 50 0 EFAAHN C[C@H]1CCCCN1C1CN(C(=O)c2ccc(CN3CCCC3)o2)C1 ZINC000097636543 472503354 /nfs/dbraw/zinc/50/33/54/472503354.db2.gz VRIPVSWHOLZMLO-HNNXBMFYSA-N 0 3 331.460 2.574 50 0 EFAAHN Cc1nc2ccccc2nc1CN1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000097642624 472503385 /nfs/dbraw/zinc/50/33/85/472503385.db2.gz XQKSWCPOWHYHOJ-IBGZPJMESA-N 0 3 340.427 2.745 50 0 EFAAHN Cn1cnnc1C1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000097744934 472507033 /nfs/dbraw/zinc/50/70/33/472507033.db2.gz DBHRFWVXJADHCS-UHFFFAOYSA-N 0 3 340.406 2.724 50 0 EFAAHN C[C@H]1CCCCN1C1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000097773263 472508609 /nfs/dbraw/zinc/50/86/09/472508609.db2.gz FQUKTNNDIRSUKK-ZDUSSCGKSA-N 0 3 342.418 2.915 50 0 EFAAHN CN(C)Cc1csc(CN2CCC[C@@H](CCC(=O)N(C)C)C2)c1 ZINC000072158311 472631357 /nfs/dbraw/zinc/63/13/57/472631357.db2.gz ZPYHNTORYJAIRU-HNNXBMFYSA-N 0 3 337.533 2.890 50 0 EFAAHN CN(Cc1ccc2c(c1)OCCO2)C[C@H]1Cc2ccccc2CN1C ZINC000072134757 472632103 /nfs/dbraw/zinc/63/21/03/472632103.db2.gz FJENJTZFFVLJQT-LJQANCHMSA-N 0 3 338.451 2.946 50 0 EFAAHN COc1c(C)cnc(CN2CCCC[C@@H]2CCN2CCOCC2)c1C ZINC000072428335 472663923 /nfs/dbraw/zinc/66/39/23/472663923.db2.gz DLEWWOLYQCWTGB-GOSISDBHSA-N 0 3 347.503 2.784 50 0 EFAAHN Cc1ccccc1OC1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC000072420361 472664215 /nfs/dbraw/zinc/66/42/15/472664215.db2.gz NUNYUURELITHRB-UHFFFAOYSA-N 0 3 332.488 2.949 50 0 EFAAHN Cc1cc(C)c(-n2cccn2)c(CN2CC[C@]3(CN(C)C(=O)O3)C2)c1 ZINC000072422050 472664343 /nfs/dbraw/zinc/66/43/43/472664343.db2.gz KABFASYTYBAMNR-IBGZPJMESA-N 0 3 340.427 2.516 50 0 EFAAHN COc1ccc(F)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000104338035 472666872 /nfs/dbraw/zinc/66/68/72/472666872.db2.gz OLFJIRFKHFGXQF-MRXNPFEDSA-N 0 3 338.467 2.749 50 0 EFAAHN COc1ccc(CN2CCN(C3CCC3)C[C@H]2CCO)c(C)c1C ZINC000104367843 472668403 /nfs/dbraw/zinc/66/84/03/472668403.db2.gz XDPHBKOALKJHGT-LJQANCHMSA-N 0 3 332.488 2.733 50 0 EFAAHN COc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c(F)c1 ZINC000104405068 472671108 /nfs/dbraw/zinc/67/11/08/472671108.db2.gz LDRWSNYBCHFKRY-MRXNPFEDSA-N 0 3 338.467 2.749 50 0 EFAAHN Cc1cccc(CN2CCN(C3CCCCCC3)C[C@H]2CCO)n1 ZINC000104464077 472673298 /nfs/dbraw/zinc/67/32/98/472673298.db2.gz DPXKBNUKAKPMPQ-HXUWFJFHSA-N 0 3 331.504 2.981 50 0 EFAAHN CCCn1cc(C(=O)N(C)[C@H](CN(C)C)c2ccccc2)c(C)n1 ZINC000091325277 472757012 /nfs/dbraw/zinc/75/70/12/472757012.db2.gz JWZQPEORFVPTFV-GOSISDBHSA-N 0 3 328.460 2.976 50 0 EFAAHN Cc1ccc(-c2cc(C(=O)N3C[C@H](N)[C@@H](c4ccccc4)C3)[nH]n2)o1 ZINC000091416647 472764845 /nfs/dbraw/zinc/76/48/45/472764845.db2.gz AOAUBUGZSXSKDT-CABCVRRESA-N 0 3 336.395 2.545 50 0 EFAAHN Cc1cc2ccccc2n1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2 ZINC000091445135 472767090 /nfs/dbraw/zinc/76/70/90/472767090.db2.gz CMNMXBLDYGNHPZ-SJLPKXTDSA-N 0 3 325.456 2.892 50 0 EFAAHN Cc1cccc([C@H](C(=O)NCCNc2cc(C)ccn2)N(C)C)c1 ZINC000091444672 472767493 /nfs/dbraw/zinc/76/74/93/472767493.db2.gz JOKVRQBBSHEHLH-GOSISDBHSA-N 0 3 326.444 2.529 50 0 EFAAHN O=c1cc(CNCc2ccc(CO)cc2)[nH]c2c(Cl)cccc12 ZINC000091474544 472770458 /nfs/dbraw/zinc/77/04/58/472770458.db2.gz YUUZFHHRPTZUGV-UHFFFAOYSA-N 0 3 328.799 2.964 50 0 EFAAHN Cn1ccnc1C1CCN(CCC(=O)NC2CCCCCC2)CC1 ZINC000091665233 472790672 /nfs/dbraw/zinc/79/06/72/472790672.db2.gz PBZFMNOXANCXBT-UHFFFAOYSA-N 0 3 332.492 2.829 50 0 EFAAHN Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCCCN1C ZINC000091690160 472794429 /nfs/dbraw/zinc/79/44/29/472794429.db2.gz NVSLQXKEALXSDD-GOSISDBHSA-N 0 3 326.444 2.671 50 0 EFAAHN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C(C)(C)N)c1C ZINC000091690111 472795031 /nfs/dbraw/zinc/79/50/31/472795031.db2.gz QNVDVIGAFHFHOK-HNNXBMFYSA-N 0 3 326.444 2.720 50 0 EFAAHN O=C(CC[NH2+]Cc1cc(=O)c2cccc(F)c2[n-]1)NC1CCCCC1 ZINC000091724640 472798308 /nfs/dbraw/zinc/79/83/08/472798308.db2.gz JSHJSIHYQFVVLN-UHFFFAOYSA-N 0 3 345.418 2.596 50 0 EFAAHN CCOc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CCOC)C3)cc1 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/nfs/dbraw/zinc/39/74/17/1265397417.db2.gz XBMMSHUZEXMAAR-AWEZNQCLSA-N 0 3 332.473 2.607 50 0 EFAAHN COc1ccc(-c2nn3c(nnc3C3CCN(C)CC3)s2)cc1 ZINC000824693045 1266930111 /nfs/dbraw/zinc/93/01/11/1266930111.db2.gz NQOXOIXDGAQGAY-UHFFFAOYSA-N 0 3 329.429 2.671 50 0 EFAAHN CCn1nc(COc2ccccc2OC)nc1C[C@H]1CCCCN1C ZINC000824827618 1266948520 /nfs/dbraw/zinc/94/85/20/1266948520.db2.gz QUBNGFBYDXPZIZ-OAHLLOKOSA-N 0 3 344.459 2.912 50 0 EFAAHN CC(=O)Nc1ccccc1SCC(=O)N1CCCN(C(C)C)CC1 ZINC000952871850 1284894976 /nfs/dbraw/zinc/89/49/76/1284894976.db2.gz FADYYSGFMDWJJX-UHFFFAOYSA-N 0 3 349.500 2.680 50 0 EFAAHN CN1CCCN(CC(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000952873943 1284898003 /nfs/dbraw/zinc/89/80/03/1284898003.db2.gz SGEBMSAEJHEBDP-HXUWFJFHSA-N 0 3 343.515 2.638 50 0 EFAAHN CCc1nccn1CCC(=O)NC[C@H](c1sccc1C)N(C)C ZINC000952970997 1284938492 /nfs/dbraw/zinc/93/84/92/1284938492.db2.gz RAYSXGPNHQRABB-CQSZACIVSA-N 0 3 334.489 2.625 50 0 EFAAHN CN(C[C@]1(C)CCN(C)C1)S(=O)(=O)Cc1ccc(Cl)cc1F ZINC000952983966 1284980495 /nfs/dbraw/zinc/98/04/95/1284980495.db2.gz MKVAQASFRFTFLD-OAHLLOKOSA-N 0 3 348.871 2.583 50 0 EFAAHN CCCCN(Cc1sccc1C)C(=O)C[C@H]1CN(C)CCN1C ZINC000065528767 1294035856 /nfs/dbraw/zinc/03/58/56/1294035856.db2.gz JTHHPFVPYWVASV-INIZCTEOSA-N 0 3 337.533 2.821 50 0 EFAAHN CN(Cc1cnccn1)C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000020868418 1314735266 /nfs/dbraw/zinc/73/52/66/1314735266.db2.gz NYBVJLBLHMLLHQ-UHFFFAOYSA-N 0 3 348.454 2.763 50 0 EFAAHN Cc1cc(F)ccc1N1CCC(NCc2nnc3ccccn32)CC1 ZINC001506395699 1405749416 /nfs/dbraw/zinc/74/94/16/1405749416.db2.gz DWSFSRHYNHROOE-UHFFFAOYSA-N 0 3 339.418 2.935 50 0 EFAAHN CSc1cccc(CN(C)C(=O)[C@@H](N)Cc2ccc(O)cc2)c1 ZINC001506403845 1405753163 /nfs/dbraw/zinc/75/31/63/1405753163.db2.gz ZQXGSJRPXSLZOD-KRWDZBQOSA-N 0 3 330.453 2.643 50 0 EFAAHN CO[C@H]1CN(CCOc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 ZINC001704300715 1417901508 /nfs/dbraw/zinc/90/15/08/1417901508.db2.gz YOUOWLGBRWQXLB-KDOFPFPSSA-N 0 3 334.391 2.690 50 0 EFAAHN Cc1cc2cc(C(=O)N(CCN(C)C)Cc3[nH]cnc3C)ccc2o1 ZINC001704325972 1417907811 /nfs/dbraw/zinc/90/78/11/1417907811.db2.gz PZDOOHVRERAVHI-UHFFFAOYSA-N 0 3 340.427 2.977 50 0 EFAAHN Cc1noc(C)c1CN1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1 ZINC001704342092 1417912020 /nfs/dbraw/zinc/91/20/20/1417912020.db2.gz GEPKBYYHCJCNIS-OXQOHEQNSA-N 0 3 337.423 2.875 50 0 EFAAHN O=c1cc([C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)nc[nH]1 ZINC001704351017 1417914933 /nfs/dbraw/zinc/91/49/33/1417914933.db2.gz MFOSMMZZGGUOEM-CYBMUJFWSA-N 0 3 345.472 2.619 50 0 EFAAHN COc1ccc(CC[C@H](C)N2CCN(c3ncccn3)CC2)cc1 ZINC000023282791 717932628 /nfs/dbraw/zinc/93/26/28/717932628.db2.gz BNZLMNRHOYEFEK-INIZCTEOSA-N 0 3 326.444 2.629 50 0 EFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000022918647 715444271 /nfs/dbraw/zinc/44/42/71/715444271.db2.gz MVEKIRCCMIYCDJ-SFHVURJKSA-N 0 3 349.450 2.564 50 0 EFAAHN Cc1cc(F)ccc1CN1CCCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000981456572 718732124 /nfs/dbraw/zinc/73/21/24/718732124.db2.gz CXNAEVOLXUSGNT-LJQANCHMSA-N 0 3 347.478 2.653 50 0 EFAAHN CNc1cc(C(=O)NC2CCN(Cc3cccs3)CC2)ccn1 ZINC000097657242 219044814 /nfs/dbraw/zinc/04/48/14/219044814.db2.gz UKOFMLWPHPPLCY-UHFFFAOYSA-N 0 3 330.457 2.579 50 0 EFAAHN COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)CC1CCN(C)CC1 ZINC000097711708 219049933 /nfs/dbraw/zinc/04/99/33/219049933.db2.gz ROYJFKCAJNDAGG-OAHLLOKOSA-N 0 3 336.451 2.921 50 0 EFAAHN CN(C)CCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004699619 210252440 /nfs/dbraw/zinc/25/24/40/210252440.db2.gz WFTBUKPXWQEXPT-UHFFFAOYSA-N 0 3 339.439 2.809 50 0 EFAAHN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000097756306 219053700 /nfs/dbraw/zinc/05/37/00/219053700.db2.gz ZYAQSASUIPZBIS-HNNXBMFYSA-N 0 3 338.415 2.513 50 0 EFAAHN CN(C)Cc1cn(C2CCN(C/C=C/c3ccccc3)CC2)nn1 ZINC000055306937 214303951 /nfs/dbraw/zinc/30/39/51/214303951.db2.gz XGBXJYVTJJLMGV-RMKNXTFCSA-N 0 3 325.460 2.690 50 0 EFAAHN Cc1c(NCc2cccnc2)cccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000055310141 214305096 /nfs/dbraw/zinc/30/50/96/214305096.db2.gz OCTVIGDGGYPJEZ-QGZVFWFLSA-N 0 3 338.455 2.778 50 0 EFAAHN Cn1cnnc1CC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000055383197 214314271 /nfs/dbraw/zinc/31/42/71/214314271.db2.gz QORQSUSQGFFWRL-UHFFFAOYSA-N 0 3 340.471 2.983 50 0 EFAAHN Cc1nc(C)n(C[C@@H](C)C(=O)N(CCN2CCCCCC2)C(C)C)n1 ZINC000055392767 214317456 /nfs/dbraw/zinc/31/74/56/214317456.db2.gz DMEIMTQRDOJDRS-MRXNPFEDSA-N 0 3 349.523 2.644 50 0 EFAAHN C[C@@H](CO)CN(CCn1c(=O)oc2ccccc21)Cc1ccccc1 ZINC000055392925 214317539 /nfs/dbraw/zinc/31/75/39/214317539.db2.gz YYNWBRFGKRHIBS-MRXNPFEDSA-N 0 3 340.423 2.725 50 0 EFAAHN COc1cccc(CN(C)[C@@H](C)c2ccon2)c1OCCN(C)C ZINC000055402007 214317774 /nfs/dbraw/zinc/31/77/74/214317774.db2.gz QMROOIDTYUYTNN-AWEZNQCLSA-N 0 3 333.432 2.817 50 0 EFAAHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1N ZINC000097823594 219058985 /nfs/dbraw/zinc/05/89/85/219058985.db2.gz FGVQUTFKMWMKHU-ICSRJNTNSA-N 0 3 337.398 2.899 50 0 EFAAHN CN(C)CCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000004511574 210209304 /nfs/dbraw/zinc/20/93/04/210209304.db2.gz PNXMYHCCIPOBKI-UHFFFAOYSA-N 0 3 349.434 2.857 50 0 EFAAHN CC(=O)N(C1=C([O-])N(c2ccc(C)cc2)C(=O)C1)c1ccc(C)cc1 ZINC000100900762 219111136 /nfs/dbraw/zinc/11/11/36/219111136.db2.gz XROPYLIYALJKLM-GOSISDBHSA-N 0 3 336.391 2.988 50 0 EFAAHN CC(=O)N(c1ccc(C)cc1)C1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000100900762 219111138 /nfs/dbraw/zinc/11/11/38/219111138.db2.gz XROPYLIYALJKLM-GOSISDBHSA-N 0 3 336.391 2.988 50 0 EFAAHN CN(C)CCNC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000004336330 210174939 /nfs/dbraw/zinc/17/49/39/210174939.db2.gz KRJBRXGETVWLNX-UHFFFAOYSA-N 0 3 349.434 2.958 50 0 EFAAHN CC[C@]1(C)C[C@@H]([C@H](O)CNCc2ccc(OC)c(OC)c2)CCO1 ZINC000004025608 210101513 /nfs/dbraw/zinc/10/15/13/210101513.db2.gz RMOMIOWOQMAUHS-FRQCXROJSA-N 0 3 337.460 2.750 50 0 biogenic EFAAHN C[C@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)N1CCCC1 ZINC000102546672 219210124 /nfs/dbraw/zinc/21/01/24/219210124.db2.gz BDFIXOAMMXFXKV-CYBMUJFWSA-N 0 3 342.418 2.585 50 0 EFAAHN C[C@H](C(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c2C1)N1CCCC1 ZINC000102546672 219210126 /nfs/dbraw/zinc/21/01/26/219210126.db2.gz BDFIXOAMMXFXKV-CYBMUJFWSA-N 0 3 342.418 2.585 50 0 EFAAHN CN1CCC(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000067603803 215168208 /nfs/dbraw/zinc/16/82/08/215168208.db2.gz GBVRKVZDKNWSPP-UHFFFAOYSA-N 0 3 349.906 2.762 50 0 EFAAHN Cc1cccc([C@H](C(=O)NCCc2n[nH]c3c2CCCC3)N(C)C)c1 ZINC000067674908 215181596 /nfs/dbraw/zinc/18/15/96/215181596.db2.gz WDFPNBCAPUBDPS-LJQANCHMSA-N 0 3 340.471 2.559 50 0 EFAAHN CC[C@@H]1CN(Cc2cnc(-c3ccccn3)nc2)CCN1C(C)C ZINC000067696434 215189962 /nfs/dbraw/zinc/18/99/62/215189962.db2.gz OLRISSYBLVFZJU-QGZVFWFLSA-N 0 3 325.460 2.843 50 0 EFAAHN O=C(NCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1cccnn1 ZINC000067725858 215196347 /nfs/dbraw/zinc/19/63/47/215196347.db2.gz QMFSUFXOWWBJLE-UHFFFAOYSA-N 0 3 349.438 2.600 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccccc3O)cnn2c1 ZINC000067802864 215215145 /nfs/dbraw/zinc/21/51/45/215215145.db2.gz VNUZQBKBVCFWIM-UHFFFAOYSA-N 0 3 339.399 2.529 50 0 EFAAHN CC(C)n1cc(C2=CCN(CCC(=O)NCc3ccco3)CC2)cn1 ZINC000067803126 215215351 /nfs/dbraw/zinc/21/53/51/215215351.db2.gz VSBJXXXHEIQJIW-UHFFFAOYSA-N 0 3 342.443 2.853 50 0 EFAAHN CN1CCC(Cc2noc([C@]34CC[C@](C)([C@@H](O)C3)C4(C)C)n2)CC1 ZINC000067820779 215221221 /nfs/dbraw/zinc/22/12/21/215221221.db2.gz AQONLEXZRSSZSY-KYNGSXCRSA-N 0 3 333.476 2.783 50 0 EFAAHN CCc1ccc(CN2CC[C@H](CNC(=O)c3ncccc3C)C2)nc1 ZINC000067843250 215228973 /nfs/dbraw/zinc/22/89/73/215228973.db2.gz AFJQRRHTGUEYRI-QGZVFWFLSA-N 0 3 338.455 2.599 50 0 EFAAHN Cc1ccc(F)c(C(=O)NC[C@H]2CCN(Cc3ccccn3)C2)c1F ZINC000067852373 215231478 /nfs/dbraw/zinc/23/14/78/215231478.db2.gz HBCNKSXLMQNGLL-CQSZACIVSA-N 0 3 345.393 2.920 50 0 EFAAHN CN1CCC(Cc2noc(-c3[nH]nc(N)c3-c3ccccc3)n2)CC1 ZINC000067856290 215233573 /nfs/dbraw/zinc/23/35/73/215233573.db2.gz JVCCLBNSWDKMKS-UHFFFAOYSA-N 0 3 338.415 2.593 50 0 EFAAHN CCN(Cc1ccncc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067879866 215238888 /nfs/dbraw/zinc/23/88/88/215238888.db2.gz LSXHXBGCBIYOMB-UHFFFAOYSA-N 0 3 337.379 2.674 50 0 EFAAHN COc1ccc(-c2n[nH]cc2CNC(=O)CN2CCCCCC2)cc1 ZINC000067884956 215240506 /nfs/dbraw/zinc/24/05/06/215240506.db2.gz DLRVYUYJDGJWKY-UHFFFAOYSA-N 0 3 342.443 2.578 50 0 EFAAHN CC[C@@]1(CO)CCCN(Cc2cc3ccc(OC)cc3[nH]c2=O)C1 ZINC000067910183 215247964 /nfs/dbraw/zinc/24/79/64/215247964.db2.gz JWWUULVIEJPPHX-LJQANCHMSA-N 0 3 330.428 2.521 50 0 EFAAHN CC[C@@H]1CCCCN1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067910035 215248964 /nfs/dbraw/zinc/24/89/64/215248964.db2.gz URGQBRWSZYJJTC-OAHLLOKOSA-N 0 3 330.476 2.881 50 0 EFAAHN Cc1cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)ccc1F ZINC000067935464 215254977 /nfs/dbraw/zinc/25/49/77/215254977.db2.gz ZVBTVQUXJLXKAM-OAHLLOKOSA-N 0 3 334.435 2.707 50 0 EFAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)COc2cccnc2)cc1 ZINC000067947657 215255392 /nfs/dbraw/zinc/25/53/92/215255392.db2.gz DRYMERJZWVITKF-IBGZPJMESA-N 0 3 339.439 2.886 50 0 EFAAHN Cc1ccc(C(=O)NCC[C@H]2CCCN(Cc3ccccn3)C2)cn1 ZINC000067946706 215256496 /nfs/dbraw/zinc/25/64/96/215256496.db2.gz JVWPEMGQSLOLMJ-QGZVFWFLSA-N 0 3 338.455 2.817 50 0 EFAAHN COc1ccc2c(c1)C[C@H](c1nc(CC3CCN(C)CC3)no1)CO2 ZINC000067947664 215256732 /nfs/dbraw/zinc/25/67/32/215256732.db2.gz OUTCDOAHSOSGLO-HNNXBMFYSA-N 0 3 343.427 2.681 50 0 EFAAHN CN1CCCC[C@H]1CSc1nnc2ccc(-c3ccccn3)nn21 ZINC000038770673 213225565 /nfs/dbraw/zinc/22/55/65/213225565.db2.gz CKHAHNWIOSIKIS-ZDUSSCGKSA-N 0 3 340.456 2.763 50 0 EFAAHN COc1ccc(C(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc1OC ZINC000000783095 209687025 /nfs/dbraw/zinc/68/70/25/209687025.db2.gz VWEOIYVDDXSYRO-MRXNPFEDSA-N 0 3 344.455 2.818 50 0 EFAAHN COC(=O)c1c2c(sc1NC(=O)CNC1CCCCC1)CCC2 ZINC000036646062 213107838 /nfs/dbraw/zinc/10/78/38/213107838.db2.gz CJUMBCBHTOJENJ-UHFFFAOYSA-N 0 3 336.457 2.884 50 0 EFAAHN CN(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1F ZINC000036367023 213091065 /nfs/dbraw/zinc/09/10/65/213091065.db2.gz 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CNc1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)ccn1 ZINC000096167163 473323148 /nfs/dbraw/zinc/32/31/48/473323148.db2.gz RMJQWMGNFAJUPW-UHFFFAOYSA-N 0 3 338.455 2.733 50 0 EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000000176572 471331214 /nfs/dbraw/zinc/33/12/14/471331214.db2.gz WNESZXKWXXPKIR-CYBMUJFWSA-N 0 3 338.835 2.944 50 0 EFAAHN Cc1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 ZINC000000183026 471331501 /nfs/dbraw/zinc/33/15/01/471331501.db2.gz ZPFXHYHCUBXULF-KRWDZBQOSA-N 0 3 326.371 2.598 50 0 EFAAHN COc1ccc(Nc2nc(N3CCNCC3)nc3ccccc32)cc1 ZINC000000199215 471333741 /nfs/dbraw/zinc/33/37/41/471333741.db2.gz BONCEQUGCMHICO-UHFFFAOYSA-N 0 3 335.411 2.792 50 0 EFAAHN O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCc2ccccc2C1 ZINC000000212886 471336297 /nfs/dbraw/zinc/33/62/97/471336297.db2.gz WFKHITGEJNDWAT-HXUWFJFHSA-N 0 3 335.451 2.879 50 0 EFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000000214892 471336710 /nfs/dbraw/zinc/33/67/10/471336710.db2.gz SAVXZHIDUAACIM-HNNXBMFYSA-N 0 3 348.443 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IVQOFBKHQCTVQV-UHFFFAOYSA-N 0 3 327.424 2.808 50 0 investigational EFAAHN CN1CCC(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1 ZINC000002792367 471421062 /nfs/dbraw/zinc/42/10/62/471421062.db2.gz HYDIWHDVVCGYEL-UHFFFAOYSA-N 0 3 334.313 2.747 50 0 EFAAHN COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCCN(C)C ZINC000005346336 471501625 /nfs/dbraw/zinc/50/16/25/471501625.db2.gz JKOGJMNRGCLSJK-UHFFFAOYSA-N 0 3 339.443 2.995 50 0 EFAAHN Fc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000006745095 471565995 /nfs/dbraw/zinc/56/59/95/471565995.db2.gz HDQNKAKVGCUQAE-UHFFFAOYSA-N 0 3 329.404 2.683 50 0 EFAAHN CN(C)CCNC(=O)c1ccccc1-c1cc2ccccc2c(=O)o1 ZINC000006757117 471567205 /nfs/dbraw/zinc/56/72/05/471567205.db2.gz LNWHVQWEYRTBHH-UHFFFAOYSA-N 0 3 336.391 2.751 50 0 EFAAHN Cn1nnnc1SCCCNCc1c(Cl)cccc1Cl ZINC000007541455 471620652 /nfs/dbraw/zinc/62/06/52/471620652.db2.gz WLWCXGFLWHJBJI-UHFFFAOYSA-N 0 3 332.260 2.789 50 0 EFAAHN CC1CCN(CCCNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000007728740 471633550 /nfs/dbraw/zinc/63/35/50/471633550.db2.gz 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/nfs/dbraw/zinc/99/43/53/471994353.db2.gz WETNHZVOLPIATI-CRAIPNDOSA-N 0 3 339.487 2.699 50 0 biogenic EFAAHN Cc1cc(N2CCC(Cn3cc(CO)nn3)CC2)c2ccccc2n1 ZINC000023429333 472032391 /nfs/dbraw/zinc/03/23/91/472032391.db2.gz IKDYMEWFHYMUAZ-UHFFFAOYSA-N 0 3 337.427 2.544 50 0 EFAAHN Cc1cc(NCc2cccnc2N2CCc3ccccc3C2)nc(N)n1 ZINC000067758561 472085315 /nfs/dbraw/zinc/08/53/15/472085315.db2.gz CMUFVDKCWCSLNL-UHFFFAOYSA-N 0 3 346.438 2.937 50 0 EFAAHN Cn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000069454079 472347974 /nfs/dbraw/zinc/34/79/74/472347974.db2.gz PLHQDJNAVFKZIO-OALUTQOASA-N 0 3 338.455 2.689 50 0 EFAAHN CN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1O ZINC000044941185 472354925 /nfs/dbraw/zinc/35/49/25/472354925.db2.gz HTDXSIZCZUGTAG-RBUKOAKNSA-N 0 3 330.472 2.661 50 0 EFAAHN Cc1nc(-c2cccnc2)sc1C(=O)N(C)C1CCN(C)CC1 ZINC000031864701 472399856 /nfs/dbraw/zinc/39/98/56/472399856.db2.gz BUBINTFOVNKSCR-UHFFFAOYSA-N 0 3 330.457 2.680 50 0 EFAAHN COc1cc(OC)cc(-c2noc(C[C@@H](N)c3ccccc3)n2)c1 ZINC000057354852 472418324 /nfs/dbraw/zinc/41/83/24/472418324.db2.gz VZAWRNPOEZGQHV-MRXNPFEDSA-N 0 3 325.368 2.996 50 0 EFAAHN N[C@@H](CC1CCCCC1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000032590462 472445631 /nfs/dbraw/zinc/44/56/31/472445631.db2.gz ZFVTVGXGIASKTE-SFHVURJKSA-N 0 3 349.519 2.535 50 0 EFAAHN CCc1[nH]nc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1C ZINC000097155857 472465649 /nfs/dbraw/zinc/46/56/49/472465649.db2.gz DTHSNLWJSXYDEP-INIZCTEOSA-N 0 3 340.471 2.808 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1ccccc1OCc1ccccn1)CC2 ZINC000097199464 472475050 /nfs/dbraw/zinc/47/50/50/472475050.db2.gz KLSMJAFPDDUHTL-QGZVFWFLSA-N 0 3 349.438 2.665 50 0 EFAAHN Cc1ccnc(NC[C@H]2CCN(CC(=O)N3CCCCCC3)C2)c1 ZINC000097200686 472476166 /nfs/dbraw/zinc/47/61/66/472476166.db2.gz NXEQFEGQGPAIIH-QGZVFWFLSA-N 0 3 330.476 2.526 50 0 EFAAHN O=C1N[C@H]2CCC[C@@H]1CN(CC1=Cc3cc(Cl)ccc3OC1)C2 ZINC000097743217 472507334 /nfs/dbraw/zinc/50/73/34/472507334.db2.gz WEWPODNQSZGIML-CJNGLKHVSA-N 0 3 332.831 2.716 50 0 EFAAHN Cc1nc2cc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc2s1 ZINC000097805485 472507740 /nfs/dbraw/zinc/50/77/40/472507740.db2.gz BFCCBGBHGDIVQU-OAHLLOKOSA-N 0 3 347.484 2.788 50 0 EFAAHN Cc1ccnn1CCN1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077377260 472515485 /nfs/dbraw/zinc/51/54/85/472515485.db2.gz MYERKZMUABYWOJ-FQEVSTJZSA-N 0 3 344.503 2.839 50 0 EFAAHN CCCc1ccc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)o1 ZINC000077378819 472516265 /nfs/dbraw/zinc/51/62/65/472516265.db2.gz YXEXUKWGFGGCCV-UHFFFAOYSA-N 0 3 345.491 2.802 50 0 EFAAHN CN1CC[C@H]2CN(C(=O)c3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000077379010 472517162 /nfs/dbraw/zinc/51/71/62/472517162.db2.gz KVLQQYQUVJCJPT-GOEBONIOSA-N 0 3 327.453 2.510 50 0 EFAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn(C)n2)cc1 ZINC000077407756 472522678 /nfs/dbraw/zinc/52/26/78/472522678.db2.gz XLKYXHPXWQVZLV-SFHVURJKSA-N 0 3 326.444 2.849 50 0 EFAAHN O=C(NCc1ccc(F)cc1)NCC1CCN(c2ccncc2)CC1 ZINC000070928905 472524780 /nfs/dbraw/zinc/52/47/80/472524780.db2.gz 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/nfs/dbraw/zinc/55/04/79/472550479.db2.gz UQOHGENMHHJZAO-HXUWFJFHSA-N 0 3 342.487 2.956 50 0 EFAAHN O=c1[nH]nc(C2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1 ZINC000071575390 472553510 /nfs/dbraw/zinc/55/35/10/472553510.db2.gz YOOXBEKDAKVEJH-UHFFFAOYSA-N 0 3 348.450 2.999 50 0 EFAAHN OC1CCN(C2CCN(c3nccc(C4CCCC4)n3)CC2)CC1 ZINC000071746428 472558285 /nfs/dbraw/zinc/55/82/85/472558285.db2.gz SLLHYKJWXYEZTJ-UHFFFAOYSA-N 0 3 330.476 2.560 50 0 EFAAHN COc1ccc([C@H](N)CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1OC ZINC000071761534 472561674 /nfs/dbraw/zinc/56/16/74/472561674.db2.gz KDARUNOWLKRVEN-PEHHYFEISA-N 0 3 344.455 2.598 50 0 EFAAHN CCN(CC)CCn1c2ccccc2c2c1CCCS(=O)(=O)CC2 ZINC000071769138 472563562 /nfs/dbraw/zinc/56/35/62/472563562.db2.gz GCTPNBPLBCQTKI-UHFFFAOYSA-N 0 3 348.512 2.887 50 0 EFAAHN CC(C)c1ccc([C@@H](C)NC(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000077753527 472602521 /nfs/dbraw/zinc/60/25/21/472602521.db2.gz IJSCUCPSKVBYMT-OAHLLOKOSA-N 0 3 333.476 2.627 50 0 EFAAHN Cc1cccc(N2CCC(N3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072454140 472665357 /nfs/dbraw/zinc/66/53/57/472665357.db2.gz PHIRRUKSVXPPSB-HXUWFJFHSA-N 0 3 343.471 2.799 50 0 EFAAHN CC[C@@H](O)Cn1nc(CC2CCN(C)CC2)nc1-c1ccccc1F ZINC000091350469 472758629 /nfs/dbraw/zinc/75/86/29/472758629.db2.gz QBXJLAXDGXBYLY-OAHLLOKOSA-N 0 3 346.450 2.739 50 0 EFAAHN CCCN1C(=O)[C@H]2CC[C@@H]1CN(CCCOc1cccc(OC)c1)C2 ZINC000091781857 472806884 /nfs/dbraw/zinc/80/68/84/472806884.db2.gz JDCKEMXYGMQWBR-DLBZAZTESA-N 0 3 346.471 2.797 50 0 EFAAHN OCCOc1ccccc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065374044 472928591 /nfs/dbraw/zinc/92/85/91/472928591.db2.gz DKPONYUWHJXOSH-RBUKOAKNSA-N 0 3 345.414 2.547 50 0 EFAAHN O=C(COc1ccccc1)NCC1=CCCN([C@H]2C=CCCC2)C1 ZINC000065393603 472932924 /nfs/dbraw/zinc/93/29/24/472932924.db2.gz WQGMWPRWMXYMSQ-SFHVURJKSA-N 0 3 326.440 2.922 50 0 EFAAHN O=C(CCNCCc1nc2ccccc2s1)Nc1nccs1 ZINC000065398382 472933562 /nfs/dbraw/zinc/93/35/62/472933562.db2.gz MYZGMMHSKFKRHN-UHFFFAOYSA-N 0 3 332.454 2.914 50 0 EFAAHN COc1ccc(CNCCC(=O)NCc2cccs2)cc1OC ZINC000065426347 472939698 /nfs/dbraw/zinc/93/96/98/472939698.db2.gz PIZRGCJAMLKWLA-UHFFFAOYSA-N 0 3 334.441 2.561 50 0 EFAAHN CCc1ccc2oc(=O)cc(CN(C)C[C@@H](C)N3CCOCC3)c2c1 ZINC000065461610 472946688 /nfs/dbraw/zinc/94/66/88/472946688.db2.gz XKRMSXPNPBRNTP-OAHLLOKOSA-N 0 3 344.455 2.508 50 0 EFAAHN Cc1cccc(N2CCN(CCC(=O)NCc3ccco3)CC2)c1C ZINC000065525833 472966942 /nfs/dbraw/zinc/96/69/42/472966942.db2.gz SDNOQBOIIIGEKE-UHFFFAOYSA-N 0 3 341.455 2.725 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1ccccc1OCc1cccnc1)CC2 ZINC000065563810 472976727 /nfs/dbraw/zinc/97/67/27/472976727.db2.gz NHEIYPTVXKQPJR-GOSISDBHSA-N 0 3 349.438 2.665 50 0 EFAAHN CC(C)N1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000074914387 473093577 /nfs/dbraw/zinc/09/35/77/473093577.db2.gz UWSXFBRABJAGRZ-UHFFFAOYSA-N 0 3 330.881 2.632 50 0 EFAAHN CCC[C@@](C)(N)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000262664063 473707823 /nfs/dbraw/zinc/70/78/23/473707823.db2.gz IAMOAMCLTAJXLP-GOSISDBHSA-N 0 3 326.400 2.790 50 0 EFAAHN CC(C)c1nccn1[C@@H](C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000219965027 474151471 /nfs/dbraw/zinc/15/14/71/474151471.db2.gz VHJVZFVJQIYFJD-LBPRGKRZSA-N 0 3 343.406 2.942 50 0 EFAAHN O[C@H]1C[C@H]([C@@H](NC2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000220670965 474157233 /nfs/dbraw/zinc/15/72/33/474157233.db2.gz HQEAAVRBEVLGEJ-OXFYSEKESA-N 0 3 341.455 2.741 50 0 EFAAHN O[C@H]1C[C@H]([C@H](NC2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000220671028 474158181 /nfs/dbraw/zinc/15/81/81/474158181.db2.gz HQEAAVRBEVLGEJ-VPWXQRGCSA-N 0 3 341.455 2.741 50 0 EFAAHN O=C(COc1cccnc1)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000221367144 474161326 /nfs/dbraw/zinc/16/13/26/474161326.db2.gz NCYMFCGBDNWWIK-IBGZPJMESA-N 0 3 339.439 2.804 50 0 EFAAHN CC(C)c1nccn1[C@@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000222453809 474169412 /nfs/dbraw/zinc/16/94/12/474169412.db2.gz NZVONUICDCNABS-HNNXBMFYSA-N 0 3 328.460 2.946 50 0 EFAAHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc2ncccc2c1 ZINC000222811743 474174905 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216015377 /nfs/dbraw/zinc/01/53/77/216015377.db2.gz FXOALILHGXHFDG-LJQANCHMSA-N 0 3 337.460 2.502 50 0 EFAAHN CC(C)c1nnc(CN(Cc2cccnc2)[C@H]2CN3CCC2CC3)o1 ZINC000072124033 216017097 /nfs/dbraw/zinc/01/70/97/216017097.db2.gz MAFCTHKITSUOLN-KRWDZBQOSA-N 0 3 341.459 2.684 50 0 EFAAHN O=C(N1CCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072129534 216021333 /nfs/dbraw/zinc/02/13/33/216021333.db2.gz OZIMYVKTXHFVOT-IPMKNSEASA-N 0 3 325.456 2.764 50 0 EFAAHN Cn1ncc2c1nc(C1CCCC1)nc2N1CC(N2CCCCC2)C1 ZINC000072141982 216027786 /nfs/dbraw/zinc/02/77/86/216027786.db2.gz JOVNNJSEAVQEQG-UHFFFAOYSA-N 0 3 340.475 2.695 50 0 EFAAHN CC(C)(N)C(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000072143184 216029084 /nfs/dbraw/zinc/02/90/84/216029084.db2.gz ZPWFQQOXYXJMKN-GFCCVEGCSA-N 0 3 342.361 2.864 50 0 EFAAHN CCc1nc(CN(CCc2ccccc2)C2CCN(C)CC2)no1 ZINC000072151989 216040834 /nfs/dbraw/zinc/04/08/34/216040834.db2.gz HPKRHYDKRQORDG-UHFFFAOYSA-N 0 3 328.460 2.771 50 0 EFAAHN c1ccc(CCCc2noc(-c3ccc(N4CCNCC4)nc3)n2)cc1 ZINC000072162334 216050619 /nfs/dbraw/zinc/05/06/19/216050619.db2.gz DCBXEMHJSLXRIW-UHFFFAOYSA-N 0 3 349.438 2.717 50 0 EFAAHN CC(C)N1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C[C@H]1C ZINC000072163226 216051831 /nfs/dbraw/zinc/05/18/31/216051831.db2.gz OESGCPOAABLZLA-CQSZACIVSA-N 0 3 342.491 2.940 50 0 EFAAHN CN(C)CCn1cc(NC(=O)COc2ccc3ccccc3c2)cn1 ZINC000072246711 216082627 /nfs/dbraw/zinc/08/26/27/216082627.db2.gz SVXLIDOQCYPTOJ-UHFFFAOYSA-N 0 3 338.411 2.615 50 0 EFAAHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270587 216092578 /nfs/dbraw/zinc/09/25/78/216092578.db2.gz SVPGPJOHIBFJTK-IRXDYDNUSA-N 0 3 329.444 2.646 50 0 EFAAHN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000072279184 216106336 /nfs/dbraw/zinc/10/63/36/216106336.db2.gz WYILJFVTRGIWJV-GOSISDBHSA-N 0 3 338.455 2.532 50 0 EFAAHN CN(C)C(=O)c1cccc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)c1 ZINC000072408211 216199460 /nfs/dbraw/zinc/19/94/60/216199460.db2.gz 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/nfs/dbraw/zinc/23/08/39/216230839.db2.gz WLMCXWAYLFFZSJ-UHFFFAOYSA-N 0 3 328.460 2.819 50 0 EFAAHN CN1CC[C@@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072447699 216237183 /nfs/dbraw/zinc/23/71/83/216237183.db2.gz XSHSYZXOUOGLQP-HXUWFJFHSA-N 0 3 330.472 2.558 50 0 EFAAHN Cc1cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)sc1C ZINC000072448022 216237671 /nfs/dbraw/zinc/23/76/71/216237671.db2.gz ZJRGGWJKTWYLNF-CQSZACIVSA-N 0 3 336.501 2.938 50 0 EFAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 ZINC000072447398 216237762 /nfs/dbraw/zinc/23/77/62/216237762.db2.gz SUUFDEAHISMOER-ZWKOTPCHSA-N 0 3 330.472 2.699 50 0 EFAAHN CN(C[C@]1(C)CCN(C)C1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072448137 216238026 /nfs/dbraw/zinc/23/80/26/216238026.db2.gz DDJRMUGZIPQICQ-HXUWFJFHSA-N 0 3 332.488 2.804 50 0 EFAAHN Cc1[nH]nc(CCC(=O)N2CCCN(Cc3cccs3)CC2)c1C ZINC000072474184 216251198 /nfs/dbraw/zinc/25/11/98/216251198.db2.gz XYHBZORYKHPBIM-UHFFFAOYSA-N 0 3 346.500 2.755 50 0 EFAAHN c1cn([C@@H]2CCc3ccccc3C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072468971 216248989 /nfs/dbraw/zinc/24/89/89/216248989.db2.gz RSCMWKVEPZWHMI-QGZVFWFLSA-N 0 3 333.439 2.970 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)c1cccc(C(F)(F)F)c1)CCNC2 ZINC000072476357 216253955 /nfs/dbraw/zinc/25/39/55/216253955.db2.gz BBIBDPAFINCKOP-UHFFFAOYSA-N 0 3 349.356 2.985 50 0 EFAAHN COc1cc2nc(NCCCN3CCOCC3)cc(C)c2c(OC)c1 ZINC000023550221 212383056 /nfs/dbraw/zinc/38/30/56/212383056.db2.gz CFFLVCIFKAVXQJ-UHFFFAOYSA-N 0 3 345.443 2.695 50 0 EFAAHN COc1cc(CN[C@H]2COc3c(cccc3OC)C2)cc2c1OCO2 ZINC000023340532 212369566 /nfs/dbraw/zinc/36/95/66/212369566.db2.gz XLEBDICIUVMPGY-CQSZACIVSA-N 0 3 343.379 2.526 50 0 EFAAHN OCc1cn(C2CCN(C/C=C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000023145490 212356057 /nfs/dbraw/zinc/35/60/57/212356057.db2.gz JIADMKACEKOLEE-ZPUQHVIOSA-N 0 3 342.418 2.816 50 0 EFAAHN O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc2c(c1)OCO2 ZINC000023128035 212352460 /nfs/dbraw/zinc/35/24/60/212352460.db2.gz YPCFQVWHDCYLKS-UHFFFAOYSA-N 0 3 342.395 2.650 50 0 EFAAHN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000022462470 212299983 /nfs/dbraw/zinc/29/99/83/212299983.db2.gz WZPGYGWJUHCARQ-SFHVURJKSA-N 0 3 345.487 2.814 50 0 EFAAHN Cn1c(CN2CCN(CC3CC3)[C@H](CCO)C2)cc2cc(F)ccc21 ZINC000216031480 240230959 /nfs/dbraw/zinc/23/09/59/240230959.db2.gz HCBLPAARALVTAV-GOSISDBHSA-N 0 3 345.462 2.596 50 0 EFAAHN COc1cc(CNCCN(C)C)ccc1OCCc1ccccc1 ZINC000022107710 212277614 /nfs/dbraw/zinc/27/76/14/212277614.db2.gz PQZDJRXNCVDQAJ-UHFFFAOYSA-N 0 3 328.456 2.968 50 0 EFAAHN CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2CN2CCCC2)cc1 ZINC000215033080 241102101 /nfs/dbraw/zinc/10/21/01/241102101.db2.gz VNXWLYHQYWHFTP-QGZVFWFLSA-N 0 3 336.501 2.540 50 0 EFAAHN COC[C@@H]1CCN(Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000215086547 241104066 /nfs/dbraw/zinc/10/40/66/241104066.db2.gz GAVCKRDWPPAFSE-MRXNPFEDSA-N 0 3 341.455 2.540 50 0 EFAAHN Clc1cncc(Cl)c1CN1CCN(C2CCOCC2)CC1 ZINC000215204131 241110613 /nfs/dbraw/zinc/11/06/13/241110613.db2.gz JZBYTNHRSDPWHY-UHFFFAOYSA-N 0 3 330.259 2.685 50 0 EFAAHN O=C(C[C@H]1CNCCO1)N1CCC(CCCc2ccccc2)CC1 ZINC000215242010 241114422 /nfs/dbraw/zinc/11/44/22/241114422.db2.gz ARSCDARBASSXOZ-IBGZPJMESA-N 0 3 330.472 2.626 50 0 EFAAHN COc1cc(CN2CC[C@@](O)(c3ccccc3C)C2)cc2c1OCO2 ZINC000215327343 241119831 /nfs/dbraw/zinc/11/98/31/241119831.db2.gz DKAMILIJGCZFCI-FQEVSTJZSA-N 0 3 341.407 2.826 50 0 EFAAHN c1cnn(-c2cccc(CN3CCN(C4CCSCC4)CC3)c2)c1 ZINC000215708754 241139095 /nfs/dbraw/zinc/13/90/95/241139095.db2.gz AEOZHXQEKKNLPF-UHFFFAOYSA-N 0 3 342.512 2.886 50 0 EFAAHN COc1ccc(CN2CC[C@H](NC(C)=O)C2)c2c(OC)cccc12 ZINC000215780171 241148976 /nfs/dbraw/zinc/14/89/76/241148976.db2.gz ABFQUBXIFARSRD-HNNXBMFYSA-N 0 3 328.412 2.567 50 0 EFAAHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)cc(=O)[nH]1 ZINC000215959512 241157989 /nfs/dbraw/zinc/15/79/89/241157989.db2.gz NOLOEYIOONASER-GOSISDBHSA-N 0 3 339.439 2.640 50 0 EFAAHN Cc1ccccc1-c1ccc(CN2CCN(CCC(N)=O)CC2)cc1 ZINC000216221610 241175155 /nfs/dbraw/zinc/17/51/55/241175155.db2.gz XEERUGJWFZCAQQ-UHFFFAOYSA-N 0 3 337.467 2.655 50 0 EFAAHN OCc1ccccc1CN1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000216390998 241188153 /nfs/dbraw/zinc/18/81/53/241188153.db2.gz NEVXMYMHYIPEGO-UHFFFAOYSA-N 0 3 335.451 2.978 50 0 EFAAHN CC1=CCN(Cc2ccccc2OCCCN2CCOCC2)CC1 ZINC000216473784 241195745 /nfs/dbraw/zinc/19/57/45/241195745.db2.gz SLWFJBMBKZLUGP-UHFFFAOYSA-N 0 3 330.472 2.940 50 0 EFAAHN COCC1(N(C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 ZINC000215455483 241124947 /nfs/dbraw/zinc/12/49/47/241124947.db2.gz DWZBAMTZELIPII-UHFFFAOYSA-N 0 3 345.531 2.662 50 0 EFAAHN OC1(c2cccnc2)CCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000215455349 241126166 /nfs/dbraw/zinc/12/61/66/241126166.db2.gz IAWSVIDQCLKXAG-UHFFFAOYSA-N 0 3 348.450 2.810 50 0 EFAAHN CN(Cc1cccc(OCc2ccccn2)c1)C[C@@H]1COCCO1 ZINC000215448893 241126524 /nfs/dbraw/zinc/12/65/24/241126524.db2.gz FIRVUNFEGRTMMI-LJQANCHMSA-N 0 3 328.412 2.508 50 0 EFAAHN C[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1cn2ccsc2n1 ZINC000219353578 241383489 /nfs/dbraw/zinc/38/34/89/241383489.db2.gz MMUOLDOCSALIIP-CYBMUJFWSA-N 0 3 332.473 2.982 50 0 EFAAHN C[C@@H](Cc1cnccn1)N(C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000244601802 243040848 /nfs/dbraw/zinc/04/08/48/243040848.db2.gz DRZUUJFMMZVXKT-HNNXBMFYSA-N 0 3 338.455 2.857 50 0 EFAAHN CC[C@@H]1CCCCN1CC(=O)NCc1nncn1C1CCCCC1 ZINC000244691544 243056818 /nfs/dbraw/zinc/05/68/18/243056818.db2.gz JEROBEDACBPCTA-OAHLLOKOSA-N 0 3 333.480 2.664 50 0 EFAAHN CN(CCC1(O)CCCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000244700998 243059090 /nfs/dbraw/zinc/05/90/90/243059090.db2.gz JYCVJCKBXFBJCG-FQEVSTJZSA-N 0 3 346.515 2.905 50 0 EFAAHN Cc1n[nH]cc1CN(C)C(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000244817040 243084206 /nfs/dbraw/zinc/08/42/06/243084206.db2.gz STJVEGZCOCIOLS-UHFFFAOYSA-N 0 3 340.471 2.979 50 0 EFAAHN CN1CCCN(C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)CC1 ZINC000244817136 243088488 /nfs/dbraw/zinc/08/84/88/243088488.db2.gz SUUOLOGGJJNUHQ-SFHVURJKSA-N 0 3 333.451 2.517 50 0 EFAAHN Cc1cc(C)n(-c2ccccc2CN(C)C[C@H](C)N2CCOCC2)n1 ZINC000244723867 243070641 /nfs/dbraw/zinc/07/06/41/243070641.db2.gz MIYGUMIXYWVWRM-SFHVURJKSA-N 0 3 342.487 2.642 50 0 EFAAHN CSc1cccc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)c1 ZINC000020598881 212151452 /nfs/dbraw/zinc/15/14/52/212151452.db2.gz IHVYDEYHIPSSQM-CQSZACIVSA-N 0 3 346.500 2.966 50 0 EFAAHN c1cc(CN2CCC(n3cc(CN4CCCC4)nn3)CC2)cs1 ZINC000020543415 212146121 /nfs/dbraw/zinc/14/61/21/212146121.db2.gz FXICDDZYHJSXCO-UHFFFAOYSA-N 0 3 331.489 2.773 50 0 EFAAHN CC[C@@H](c1nc(-c2c(C)ncc3c2CCNC3)no1)N1CCCC1 ZINC000020481188 212136914 /nfs/dbraw/zinc/13/69/14/212136914.db2.gz FVEUMSXYNBEFJY-HNNXBMFYSA-N 0 3 327.432 2.633 50 0 EFAAHN Cc1nc([C@H]2CCCN(Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n[nH]1 ZINC000253536448 244012284 /nfs/dbraw/zinc/01/22/84/244012284.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 0 3 341.390 2.886 50 0 EFAAHN Cc1n[nH]c([C@H]2CCCN(Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1 ZINC000253536448 244012290 /nfs/dbraw/zinc/01/22/90/244012290.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 0 3 341.390 2.886 50 0 EFAAHN Cc1nnc([C@H]2CCCN(Cc3cc(=O)c4cccc(F)c4[nH]3)C2)[nH]1 ZINC000253536448 244012293 /nfs/dbraw/zinc/01/22/93/244012293.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 0 3 341.390 2.886 50 0 EFAAHN CCc1cc(OCCOCCN2CCN(CC)CC2)ccc1Cl ZINC000020390144 212124494 /nfs/dbraw/zinc/12/44/94/212124494.db2.gz YNHMYGBTYCOACU-UHFFFAOYSA-N 0 3 340.895 2.935 50 0 EFAAHN COc1cccc2c1OC[C@@H](NCc1ccc(NC(C)=O)cc1)C2 ZINC000020232651 212114025 /nfs/dbraw/zinc/11/40/25/212114025.db2.gz WVSBVABRCTYQEC-KRWDZBQOSA-N 0 3 326.396 2.747 50 0 EFAAHN Cc1nn(C(C)C)c(C)c1CN1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000020166647 212108174 /nfs/dbraw/zinc/10/81/74/212108174.db2.gz OKKQBNDJKAPJTM-IBGZPJMESA-N 0 3 348.535 2.892 50 0 EFAAHN Cc1cccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)n1 ZINC000019952035 212089355 /nfs/dbraw/zinc/08/93/55/212089355.db2.gz FRKYZXMWWDODMG-FQEVSTJZSA-N 0 3 331.504 2.839 50 0 EFAAHN COc1cc(OC)c(OC)cc1CN[C@@H](C)[C@H](O)c1ccccc1 ZINC000019872110 212077485 /nfs/dbraw/zinc/07/74/85/212077485.db2.gz BGXAAVCLMBIUIZ-DJJJIMSYSA-N 0 3 331.412 2.924 50 0 EFAAHN Cc1ccc(COc2cccc(CNCCN3CCOCC3)c2)cc1 ZINC000019872409 212077763 /nfs/dbraw/zinc/07/77/63/212077763.db2.gz NWNZWNUCYRYQFU-UHFFFAOYSA-N 0 3 340.467 2.996 50 0 EFAAHN CCN1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000019823718 212073433 /nfs/dbraw/zinc/07/34/33/212073433.db2.gz JZWXCFRXODOFEK-UHFFFAOYSA-N 0 3 349.906 2.716 50 0 EFAAHN COc1cccc2c1OC[C@@H](NCc1cccn1-c1ccccn1)C2 ZINC000019792770 212067592 /nfs/dbraw/zinc/06/75/92/212067592.db2.gz XFMAQRPBNSMFNP-INIZCTEOSA-N 0 3 335.407 2.974 50 0 EFAAHN COc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1OC ZINC000019606711 212051413 /nfs/dbraw/zinc/05/14/13/212051413.db2.gz DRZNODKILSSITQ-SFHVURJKSA-N 0 3 348.487 2.515 50 0 EFAAHN COc1ccc(OCC(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019556778 212042836 /nfs/dbraw/zinc/04/28/36/212042836.db2.gz KMMKMYRTVBSPHY-KRWDZBQOSA-N 0 3 344.455 2.575 50 0 EFAAHN CCOc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019533475 212039192 /nfs/dbraw/zinc/03/91/92/212039192.db2.gz 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CC(C)=CC[C@]1(CO)CCCN(Cc2ccccc2OCCO)C1 ZINC000091943072 218092846 /nfs/dbraw/zinc/09/28/46/218092846.db2.gz JDYFYXULWDUBOU-HXUWFJFHSA-N 0 3 333.472 2.989 50 0 EFAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1F ZINC000010544242 211180004 /nfs/dbraw/zinc/18/00/04/211180004.db2.gz OCHKTOHTMQOYEX-MRXNPFEDSA-N 0 3 342.480 2.900 50 0 EFAAHN CCOc1c(CN[C@H](CC)CO)cc(Br)cc1OC ZINC000010474300 211175755 /nfs/dbraw/zinc/17/57/55/211175755.db2.gz UWPFDJBLRXUAPM-GFCCVEGCSA-N 0 3 332.238 2.717 50 0 EFAAHN O=C(NCCCc1ccccn1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095353747 218286907 /nfs/dbraw/zinc/28/69/07/218286907.db2.gz MODJTDFIAHMBQR-INIZCTEOSA-N 0 3 327.428 2.636 50 0 EFAAHN CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCCCCN2C)n1 ZINC000095356031 218289870 /nfs/dbraw/zinc/28/98/70/218289870.db2.gz FZGCSAWPUZXFTM-MRXNPFEDSA-N 0 3 347.507 2.530 50 0 EFAAHN O=C(CCN1CCC[C@H](c2nccn2CC2CCC2)C1)N1CCCC1 ZINC000095369079 218300930 /nfs/dbraw/zinc/30/09/30/218300930.db2.gz HHABORBZWVHXNY-SFHVURJKSA-N 0 3 344.503 2.875 50 0 EFAAHN CN1CCCCC[C@@H]1C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095368804 218301928 /nfs/dbraw/zinc/30/19/28/218301928.db2.gz NGPNFQXAGXPBIW-QGZVFWFLSA-N 0 3 334.435 2.510 50 0 EFAAHN COc1cccc2c1OC[C@H](Cc1cccc(N3CCNCC3)c1)C2 ZINC000095387172 218319659 /nfs/dbraw/zinc/31/96/59/218319659.db2.gz WBRFFWMZUXXEQZ-QGZVFWFLSA-N 0 3 338.451 2.899 50 0 EFAAHN Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)s1 ZINC000095383040 218315755 /nfs/dbraw/zinc/31/57/55/218315755.db2.gz VWGZOHOULGDTLK-OAHLLOKOSA-N 0 3 346.500 2.834 50 0 EFAAHN CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCCCCN1C ZINC000095384549 218316534 /nfs/dbraw/zinc/31/65/34/218316534.db2.gz WCZLXIWOQFHDDP-KRWDZBQOSA-N 0 3 346.450 2.967 50 0 EFAAHN CCCc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 ZINC000095385584 218317391 /nfs/dbraw/zinc/31/73/91/218317391.db2.gz ZGQDJLHUEJPDRV-HUUCEWRRSA-N 0 3 348.516 2.827 50 0 EFAAHN Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCCCCN3C)c2n1 ZINC000095392032 218324198 /nfs/dbraw/zinc/32/41/98/218324198.db2.gz 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Cc1cc(C)cc(CCC(=O)NCCCOC2CCN(C)CC2)c1 ZINC000299788637 258094890 /nfs/dbraw/zinc/09/48/90/258094890.db2.gz YVQGDAYJGJVNLI-UHFFFAOYSA-N 0 3 332.488 2.853 50 0 EFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCSCc1ccccc1 ZINC000299797340 258101700 /nfs/dbraw/zinc/10/17/00/258101700.db2.gz NKUWVXHADPUFCJ-IRXDYDNUSA-N 0 3 336.501 2.534 50 0 EFAAHN C[C@H](O)C(=O)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000299798324 258102449 /nfs/dbraw/zinc/10/24/49/258102449.db2.gz QMEZXIGONGKXEA-INIZCTEOSA-N 0 3 338.451 2.815 50 0 EFAAHN CO[C@]12CCN(Cc3cnc(-c4ccccc4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299799095 258102914 /nfs/dbraw/zinc/10/29/14/258102914.db2.gz VECIVBIMTWGWHI-CMKODMSKSA-N 0 3 339.439 2.648 50 0 EFAAHN C[C@H](CCNC(=O)Nc1ccccc1C1CC1)N1CCN(C)CC1 ZINC000299801330 258104250 /nfs/dbraw/zinc/10/42/50/258104250.db2.gz ZWOPEPMAAOBEFQ-OAHLLOKOSA-N 0 3 330.476 2.712 50 0 EFAAHN CCCCNC(=O)C1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000004552751 258051106 /nfs/dbraw/zinc/05/11/06/258051106.db2.gz MWLXOZBROGMVHG-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/26/80/95/214268095.db2.gz UUYFQOHFDLBMCG-LJQANCHMSA-N 0 3 340.471 2.652 50 0 EFAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C3CC3)n[nH]2)s1 ZINC000055133624 214277548 /nfs/dbraw/zinc/27/75/48/214277548.db2.gz GXMVTJAVRTZJGP-UHFFFAOYSA-N 0 3 332.473 2.861 50 0 EFAAHN O=C1N(CC2CCC2)CCC[C@@]1(O)CNCc1ccc(Cl)s1 ZINC000055327645 214307771 /nfs/dbraw/zinc/30/77/71/214307771.db2.gz ZLLMVMOQTYHFMD-MRXNPFEDSA-N 0 3 342.892 2.645 50 0 EFAAHN CNC(=O)c1ccc(CNCc2cc(C)c(OC(C)=O)c(C)c2)cc1 ZINC000055359973 214311763 /nfs/dbraw/zinc/31/17/63/214311763.db2.gz NFACFALWMUMQDR-UHFFFAOYSA-N 0 3 340.423 2.878 50 0 EFAAHN O[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1N1CCCC1 ZINC000097759258 219055998 /nfs/dbraw/zinc/05/59/98/219055998.db2.gz GDRLBYCENYVTKL-PMACEKPBSA-N 0 3 330.472 2.649 50 0 EFAAHN CCOc1ccc(C(=O)CCC(=O)NCCCN2CCCC2)cc1C ZINC000055401157 214318387 /nfs/dbraw/zinc/31/83/87/214318387.db2.gz RCZDVCGEKQTKSZ-UHFFFAOYSA-N 0 3 346.471 2.959 50 0 EFAAHN Cc1ccsc1CN(CCN(C)C)C(=O)CCc1cccnc1 ZINC000055393671 214318577 /nfs/dbraw/zinc/31/85/77/214318577.db2.gz YGJBZZJKQKYQFQ-UHFFFAOYSA-N 0 3 331.485 2.975 50 0 EFAAHN COc1cccc(CN(C)[C@H](C)c2ccon2)c1OCCN(C)C ZINC000055402010 214319117 /nfs/dbraw/zinc/31/91/17/214319117.db2.gz QMROOIDTYUYTNN-CQSZACIVSA-N 0 3 333.432 2.817 50 0 EFAAHN Cc1nc(CN2CCN(C3Cc4ccccc4C3)CC2)c2ccccn12 ZINC000097775636 219056539 /nfs/dbraw/zinc/05/65/39/219056539.db2.gz KUSZKJMRBGVEER-UHFFFAOYSA-N 0 3 346.478 2.928 50 0 EFAAHN COCc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC ZINC000097797582 219057428 /nfs/dbraw/zinc/05/74/28/219057428.db2.gz DXBCSIGUHNHYIZ-FQEVSTJZSA-N 0 3 327.424 2.935 50 0 EFAAHN CCN1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000004679844 210246086 /nfs/dbraw/zinc/24/60/86/210246086.db2.gz MVGYSWXCCBUPQT-UHFFFAOYSA-N 0 3 349.906 2.716 50 0 EFAAHN CCOc1ccc2ccccc2c1CNCCSc1nnnn1C ZINC000004488483 210201760 /nfs/dbraw/zinc/20/17/60/210201760.db2.gz AOVXOCRFKXSGCS-UHFFFAOYSA-N 0 3 343.456 2.644 50 0 EFAAHN Oc1c2onc(-c3ccccc3Cl)c2c(O)n1-c1ccccc1 ZINC000101495652 219129393 /nfs/dbraw/zinc/12/93/93/219129393.db2.gz SWZDYYPHQMNDCA-ZFWWWQNUSA-N 0 3 326.739 2.633 50 0 EFAAHN Cc1cc(C)n(C[C@@H](C)NCC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000065380753 214881264 /nfs/dbraw/zinc/88/12/64/214881264.db2.gz HJUCUNIGUPUGBO-LLVKDONJSA-N 0 3 338.814 2.909 50 0 EFAAHN CC(C)C[C@@H]1NC(=O)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000004081721 210114742 /nfs/dbraw/zinc/11/47/42/210114742.db2.gz RLTXBGNBTNFYNF-KRWDZBQOSA-N 0 3 329.444 2.618 50 0 biogenic EFAAHN COc1ccc(-n2cccn2)c(CN2C[C@H]3CC[C@@H](C2)[C@H]3OC)c1 ZINC000102007592 219180085 /nfs/dbraw/zinc/18/00/85/219180085.db2.gz WRLBLMRDQORPEL-QWHZDKJVSA-N 0 3 327.428 2.738 50 0 EFAAHN CCN(CC)Cc1cnc2c(C(=O)NC3CCCCC3)cnn2c1 ZINC000067432899 215145128 /nfs/dbraw/zinc/14/51/28/215145128.db2.gz SLQCDKIXKIRCNE-UHFFFAOYSA-N 0 3 329.448 2.634 50 0 EFAAHN Cc1cccc([C@H](c2nc(CC3CCN(C)CC3)no2)N(C)C)c1 ZINC000067489730 215153262 /nfs/dbraw/zinc/15/32/62/215153262.db2.gz CYHBIJYJPRDCGN-GOSISDBHSA-N 0 3 328.460 2.913 50 0 EFAAHN Cc1cc(C[C@H](C)Nc2nc(-c3ccccc3)nc3c2CCNC3)n[nH]1 ZINC000067649551 215173847 /nfs/dbraw/zinc/17/38/47/215173847.db2.gz UWJMBFQMXGWUSZ-ZDUSSCGKSA-N 0 3 348.454 2.864 50 0 EFAAHN Cc1cc(C[C@H](C)Nc2nc(-c3ccccc3)nc3c2CCNC3)[nH]n1 ZINC000067649551 215173850 /nfs/dbraw/zinc/17/38/50/215173850.db2.gz UWJMBFQMXGWUSZ-ZDUSSCGKSA-N 0 3 348.454 2.864 50 0 EFAAHN CCCN1CCC=C([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1 ZINC000067675861 215180338 /nfs/dbraw/zinc/18/03/38/215180338.db2.gz GMNYWDIEZMAXRV-GOSISDBHSA-N 0 3 340.427 2.784 50 0 EFAAHN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)C2(N)CC2)CCO3)s1 ZINC000067678784 215182612 /nfs/dbraw/zinc/18/26/12/215182612.db2.gz SHVZRRDCWLDMIZ-UHFFFAOYSA-N 0 3 344.436 2.641 50 0 EFAAHN Cc1cc(=O)oc2cc(CN(C[C@@H]3CCC(=O)N3)C(C)C)ccc12 ZINC000067679235 215183786 /nfs/dbraw/zinc/18/37/86/215183786.db2.gz LUCFADQGUAKRNN-HNNXBMFYSA-N 0 3 328.412 2.590 50 0 EFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)c3nn(C)cc3Cl)C2)cc1 ZINC000067712667 215190544 /nfs/dbraw/zinc/19/05/44/215190544.db2.gz UTXURIRJEIJBJU-OAHLLOKOSA-N 0 3 346.862 2.634 50 0 EFAAHN CC(=O)NC[C@H]1CCN(Cc2c[nH]nc2-c2cc(C)ccc2C)C1 ZINC000067713638 215191416 /nfs/dbraw/zinc/19/14/16/215191416.db2.gz DWLYQIDWKAGONB-MRXNPFEDSA-N 0 3 326.444 2.652 50 0 EFAAHN CN1CCC(Cc2noc(CCn3cnc4ccccc43)n2)CC1 ZINC000067741320 215200278 /nfs/dbraw/zinc/20/02/78/215200278.db2.gz USVGINNZADCWNO-UHFFFAOYSA-N 0 3 325.416 2.546 50 0 EFAAHN CC[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C)o2)CCN1 ZINC000067774249 215208900 /nfs/dbraw/zinc/20/89/00/215208900.db2.gz RCGXZKOHLQNXBP-CQSZACIVSA-N 0 3 341.411 2.664 50 0 EFAAHN c1ccc(NCCNc2nc(-c3ccncc3)nc3c2CCNC3)cc1 ZINC000067851856 215231052 /nfs/dbraw/zinc/23/10/52/215231052.db2.gz GAAIFUXODPDWTL-UHFFFAOYSA-N 0 3 346.438 2.708 50 0 EFAAHN Cc1cccc(CNC(=O)NC[C@H]2CCN(Cc3ccncc3)C2)c1 ZINC000067851608 215231435 /nfs/dbraw/zinc/23/14/35/215231435.db2.gz FZSXSUIRWIREEH-LJQANCHMSA-N 0 3 338.455 2.711 50 0 EFAAHN c1cc(-c2ccc(CN3CCC(N4CCSCC4)CC3)o2)n[nH]1 ZINC000067850925 215232148 /nfs/dbraw/zinc/23/21/48/215232148.db2.gz QRTVFLZBPPKJQD-UHFFFAOYSA-N 0 3 332.473 2.683 50 0 EFAAHN CCS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000067878692 215237889 /nfs/dbraw/zinc/23/78/89/215237889.db2.gz FUWSPQRSVMNQLD-INIZCTEOSA-N 0 3 346.496 2.991 50 0 EFAAHN CNc1ccc(C)cc1C(=O)NC[C@H]1CCN(Cc2ccccn2)C1 ZINC000067878943 215239248 /nfs/dbraw/zinc/23/92/48/215239248.db2.gz QJWWSFUNGIBZLC-MRXNPFEDSA-N 0 3 338.455 2.684 50 0 EFAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCNC(=O)NC2CCCC2)C1 ZINC000067895251 215243437 /nfs/dbraw/zinc/24/34/37/215243437.db2.gz AASOUPRUADELER-HNNXBMFYSA-N 0 3 333.480 2.562 50 0 EFAAHN CN(Cc1ccccc1)c1ncccc1CN[C@H]1CN2CCC1CC2 ZINC000067894914 215243984 /nfs/dbraw/zinc/24/39/84/215243984.db2.gz OOSJGXJLHJBMAT-FQEVSTJZSA-N 0 3 336.483 2.902 50 0 EFAAHN CC[C@]1(CO)CCCN(Cc2cc3ccc(OC)cc3[nH]c2=O)C1 ZINC000067910180 215248997 /nfs/dbraw/zinc/24/89/97/215248997.db2.gz JWWUULVIEJPPHX-IBGZPJMESA-N 0 3 330.428 2.521 50 0 EFAAHN Cc1nc2c(cccc2C(=O)NC[C@@H]2CCN(Cc3ccco3)C2)[nH]1 ZINC000067921817 215251732 /nfs/dbraw/zinc/25/17/32/215251732.db2.gz HOUKIGIJRXAKRA-AWEZNQCLSA-N 0 3 338.411 2.716 50 0 EFAAHN NC1(C(=O)N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)CCC1 ZINC000067955280 215258680 /nfs/dbraw/zinc/25/86/80/215258680.db2.gz YIWGYZGHWOWXGB-INIZCTEOSA-N 0 3 338.455 2.588 50 0 EFAAHN Cc1ncc(CN2CC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)[nH]1 ZINC000067956129 215259204 /nfs/dbraw/zinc/25/92/04/215259204.db2.gz RYWKLQOOASUWGC-HNNXBMFYSA-N 0 3 327.432 2.670 50 0 EFAAHN CCOc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1OC(F)F ZINC000002791803 209914115 /nfs/dbraw/zinc/91/41/15/209914115.db2.gz RVIPJAUWBFRLFG-CYBMUJFWSA-N 0 3 340.370 2.607 50 0 EFAAHN COc1ccc(F)c(CN2CCN(CCC(C)C)[C@H](CCO)C2)c1 ZINC000104315384 219373276 /nfs/dbraw/zinc/37/32/76/219373276.db2.gz QAWPBASEYNSNAD-QGZVFWFLSA-N 0 3 338.467 2.749 50 0 EFAAHN CC(C)(C)CN1CCN(Cc2c(F)cccc2F)C[C@H]1CCO ZINC000104392169 219383420 /nfs/dbraw/zinc/38/34/20/219383420.db2.gz LMLVOUMSRFXBLR-CQSZACIVSA-N 0 3 326.431 2.880 50 0 EFAAHN CC(C)CN1CCN(Cc2ccc(OC(F)F)cc2)C[C@H]1CCO ZINC000104503474 219391198 /nfs/dbraw/zinc/39/11/98/219391198.db2.gz PNZPOJMRCHYLKU-MRXNPFEDSA-N 0 3 342.430 2.813 50 0 EFAAHN CC(C)CN1CCN(Cc2ccccc2OC(F)F)C[C@H]1CCO ZINC000104524974 219393025 /nfs/dbraw/zinc/39/30/25/219393025.db2.gz NVZJAJCACTYXSE-MRXNPFEDSA-N 0 3 342.430 2.813 50 0 EFAAHN COCc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)o1 ZINC000039518561 213239893 /nfs/dbraw/zinc/23/98/93/213239893.db2.gz PKCZISMXKBUIQN-QGZVFWFLSA-N 0 3 336.476 2.627 50 0 EFAAHN COc1ccc(OC)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000039430114 213236495 /nfs/dbraw/zinc/23/64/95/213236495.db2.gz YMORHGGMGCBRCW-GOSISDBHSA-N 0 3 348.487 2.515 50 0 EFAAHN COc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c(C)c1C ZINC000039379733 213235422 /nfs/dbraw/zinc/23/54/22/213235422.db2.gz VWDFKPMXNPCNOB-LJQANCHMSA-N 0 3 334.504 2.837 50 0 EFAAHN CCNc1cc(NCCNC(=O)Cc2ccc(Cl)cc2)nc(C)n1 ZINC000038488302 213210294 /nfs/dbraw/zinc/21/02/94/213210294.db2.gz HDAXSYCECIKTHA-UHFFFAOYSA-N 0 3 347.850 2.641 50 0 EFAAHN O=C(c1ccncc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071771324 215824415 /nfs/dbraw/zinc/82/44/15/215824415.db2.gz RYXXPKYJIVPZKK-XUVXKRRUSA-N 0 3 333.435 2.784 50 0 EFAAHN COc1ccc([C@@H]2CN(c3nncs3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072121586 216013901 /nfs/dbraw/zinc/01/39/01/216013901.db2.gz IHKZINQSUWAZPC-GVDBMIGSSA-N 0 3 342.468 2.613 50 0 EFAAHN COc1ccc(F)c(CN2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072151944 216041370 /nfs/dbraw/zinc/04/13/70/216041370.db2.gz XSJNBBJZLHACMK-ZDUSSCGKSA-N 0 3 331.391 2.606 50 0 EFAAHN COCCCN(C(=O)N[C@@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000072156054 216045937 /nfs/dbraw/zinc/04/59/37/216045937.db2.gz YSVDBOOQTAWJQG-INIZCTEOSA-N 0 3 333.476 2.890 50 0 EFAAHN CNc1nc(CN(Cc2cccnc2)[C@@H]2CN3CCC2CC3)cs1 ZINC000072156942 216046773 /nfs/dbraw/zinc/04/67/73/216046773.db2.gz OKLPGABWEBJSKD-QGZVFWFLSA-N 0 3 343.500 2.676 50 0 EFAAHN CN(CCN1CCCC1)c1nc(C2CCCC2)nc2c1cnn2C ZINC000072158990 216048545 /nfs/dbraw/zinc/04/85/45/216048545.db2.gz KWUSKQRMLKZDMD-UHFFFAOYSA-N 0 3 328.464 2.553 50 0 EFAAHN CN(C)Cc1csc(CN2CCC[C@H](CCC(=O)N(C)C)C2)c1 ZINC000072158310 216048952 /nfs/dbraw/zinc/04/89/52/216048952.db2.gz ZPYHNTORYJAIRU-OAHLLOKOSA-N 0 3 337.533 2.890 50 0 EFAAHN CCS(=O)(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000072168325 216059487 /nfs/dbraw/zinc/05/94/87/216059487.db2.gz FOPLMMSPAUIXBY-SFHVURJKSA-N 0 3 336.501 2.633 50 0 EFAAHN O=C1C[C@H](NC2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000341917 209541965 /nfs/dbraw/zinc/54/19/65/209541965.db2.gz JWHOXJXPMZLCPS-ZDUSSCGKSA-N 0 3 326.318 2.870 50 0 EFAAHN NCc1cc(F)c(I)c(Br)c1 ZINC000169797856 283527318 /nfs/dbraw/zinc/52/73/18/283527318.db2.gz JENORSFHBKUXLH-UHFFFAOYSA-N 0 3 329.938 2.652 50 0 EFAAHN O=S(=O)([N-][C@H]1CC[C@H]1[NH2+]C1CCCC1)c1ccc(Cl)s1 ZINC000072418731 216206612 /nfs/dbraw/zinc/20/66/12/216206612.db2.gz VGYWDSADNNQELB-MNOVXSKESA-N 0 3 334.894 2.743 50 0 EFAAHN C[C@H]1CCCN(CCNC(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072423675 216213129 /nfs/dbraw/zinc/21/31/29/216213129.db2.gz QXLISAMHBOQZGA-INIZCTEOSA-N 0 3 332.488 2.852 50 0 EFAAHN O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 ZINC000000057479 209393440 /nfs/dbraw/zinc/39/34/40/209393440.db2.gz HGMITUYOCPPQLE-LJQANCHMSA-N 0 3 337.419 2.560 50 0 in-vitro EFAAHN CCN1C[C@]2(CCCN(CCOc3ccc(OC)cc3)C2)CCC1=O ZINC000072431628 216224717 /nfs/dbraw/zinc/22/47/17/216224717.db2.gz FYWGFGGXBYPVLB-HXUWFJFHSA-N 0 3 346.471 2.799 50 0 EFAAHN Cc1ocnc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072432382 216227012 /nfs/dbraw/zinc/22/70/12/216227012.db2.gz CVHMHAJIJHXFBH-UHFFFAOYSA-N 0 3 329.444 2.710 50 0 EFAAHN O=C1CC[C@H]2CN(Cc3ccco3)CC[C@H]2N1CCc1ccccn1 ZINC000072438991 216233543 /nfs/dbraw/zinc/23/35/43/216233543.db2.gz BXMRXNMLDCMHSH-QFBILLFUSA-N 0 3 339.439 2.730 50 0 EFAAHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc(CCC(C)(C)O)c1)C2 ZINC000072436056 216231451 /nfs/dbraw/zinc/23/14/51/216231451.db2.gz WNMKOFNVQAVGGW-NRFANRHFSA-N 0 3 344.499 2.948 50 0 EFAAHN CCn1c(C)cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1C ZINC000072440533 216234788 /nfs/dbraw/zinc/23/47/88/216234788.db2.gz BGAHWKOIQMZACT-INIZCTEOSA-N 0 3 347.503 2.698 50 0 EFAAHN CN1CC[C@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072447698 216238172 /nfs/dbraw/zinc/23/81/72/216238172.db2.gz XSHSYZXOUOGLQP-FQEVSTJZSA-N 0 3 330.472 2.558 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)CCc1ccccc1Cl)CCNC2 ZINC000072454811 216241879 /nfs/dbraw/zinc/24/18/79/216241879.db2.gz LYUNYXKFDUBABH-UHFFFAOYSA-N 0 3 343.858 2.938 50 0 EFAAHN COCCCN(Cc1c(F)c(F)ccc1OC)C1CCN(C)CC1 ZINC000072473266 216250022 /nfs/dbraw/zinc/25/00/22/216250022.db2.gz MGFOFFUWZOYKPZ-UHFFFAOYSA-N 0 3 342.430 2.906 50 0 EFAAHN Cc1ncc2c(c1CNC(=O)C[C@H]1CCc3ccccc31)CCNC2 ZINC000072473006 216250455 /nfs/dbraw/zinc/25/04/55/216250455.db2.gz LMIXLTVOJXVESZ-MRXNPFEDSA-N 0 3 335.451 2.772 50 0 EFAAHN CC(C)(C)c1cc(CN2CCN(CCOc3ccccc3)CC2)n[nH]1 ZINC000072463270 216245298 /nfs/dbraw/zinc/24/52/98/216245298.db2.gz WWLSQZFCGJAPOE-UHFFFAOYSA-N 0 3 342.487 2.904 50 0 EFAAHN CN(Cc1ccc(-n2cccn2)cc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000072479887 216259787 /nfs/dbraw/zinc/25/97/87/216259787.db2.gz HZOYGNFLBCSSJZ-LJQANCHMSA-N 0 3 334.423 2.921 50 0 EFAAHN CN(C[C@@]1(C)CCN(C)C1)c1cc(-c2ccncc2)nc2ccnn21 ZINC000072481126 216262164 /nfs/dbraw/zinc/26/21/64/216262164.db2.gz MVMQJJFDCTXXAS-IBGZPJMESA-N 0 3 336.443 2.569 50 0 EFAAHN CC(C)c1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000023375572 212372784 /nfs/dbraw/zinc/37/27/84/212372784.db2.gz NQIXEPGLMGCICI-IBGZPJMESA-N 0 3 342.487 2.602 50 0 EFAAHN COc1cccc(OC)c1CN1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000023372939 212372615 /nfs/dbraw/zinc/37/26/15/212372615.db2.gz ABTLBUVPZURUAC-KRWDZBQOSA-N 0 3 348.487 2.515 50 0 EFAAHN C[C@@H](O)c1cn(C2CCN(Cc3cc4ccccc4o3)CC2)nn1 ZINC000023398835 212375637 /nfs/dbraw/zinc/37/56/37/212375637.db2.gz CRLGKFHIFYYPOD-CYBMUJFWSA-N 0 3 326.400 2.915 50 0 EFAAHN CCOC(=O)C1CCN([C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000023282279 212366316 /nfs/dbraw/zinc/36/63/16/212366316.db2.gz 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CCCCc1nc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c[nH]1 ZINC000020539345 212145857 /nfs/dbraw/zinc/14/58/57/212145857.db2.gz HJWZPLXCWRKCFH-SFHVURJKSA-N 0 3 334.508 2.564 50 0 EFAAHN COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1C ZINC000020542127 212145740 /nfs/dbraw/zinc/14/57/40/212145740.db2.gz BWQHJPCCDSAJNM-IBGZPJMESA-N 0 3 332.488 2.815 50 0 EFAAHN COCc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1 ZINC000020534799 212144432 /nfs/dbraw/zinc/14/44/32/212144432.db2.gz RBNCPSBYEDLJEJ-UHFFFAOYSA-N 0 3 342.424 2.961 50 0 EFAAHN CC(C)CN1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020256519 212115081 /nfs/dbraw/zinc/11/50/81/212115081.db2.gz XKPUAWCCNGPEGB-IBGZPJMESA-N 0 3 327.472 2.759 50 0 EFAAHN CC(C)CN1CCN(Cc2ccc(OC(C)C)cc2)C[C@@H]1CCO ZINC000020234020 212113072 /nfs/dbraw/zinc/11/30/72/212113072.db2.gz CSMVRYSYFDLZBA-IBGZPJMESA-N 0 3 334.504 2.998 50 0 EFAAHN Cc1cc(Br)ccc1OCCCN1CCN(C)CC1 ZINC000020059624 212098937 /nfs/dbraw/zinc/09/89/37/212098937.db2.gz NHBOHCXGKLDRMS-UHFFFAOYSA-N 0 3 327.266 2.774 50 0 EFAAHN 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/nfs/dbraw/zinc/26/44/70/285264470.db2.gz VYNIXHYYOWOCKZ-CQSZACIVSA-N 0 3 342.405 2.915 50 0 EFAAHN Nc1ccncc1-c1cccc(C(=O)NCC2(O)CCCCC2)c1 ZINC000426595082 257961799 /nfs/dbraw/zinc/96/17/99/257961799.db2.gz SPMUUZGGPKBQRF-UHFFFAOYSA-N 0 3 325.412 2.586 50 0 EFAAHN COc1cccc2ccc(CN3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)nc21 ZINC000299775019 258085284 /nfs/dbraw/zinc/08/52/84/258085284.db2.gz KDIINWFPJPPITN-IMFGXOCKSA-N 0 3 342.439 2.748 50 0 EFAAHN CCc1ccc2occ(CC(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)c2c1 ZINC000299775219 258085848 /nfs/dbraw/zinc/08/58/48/258085848.db2.gz HITPVTSWZMBCSY-HKUYNNGSSA-N 0 3 344.455 2.762 50 0 EFAAHN CSCC[C@H](N)C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 ZINC000299775772 258086247 /nfs/dbraw/zinc/08/62/47/258086247.db2.gz KFSZNLLEDVMWCH-KRWDZBQOSA-N 0 3 346.500 2.528 50 0 EFAAHN CCn1cc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000299785054 258092558 /nfs/dbraw/zinc/09/25/58/258092558.db2.gz ZCFRELLYGCHOIY-KRWDZBQOSA-N 0 3 341.459 2.855 50 0 EFAAHN C[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1nncn1C1CCCC1 ZINC000299792249 258097531 /nfs/dbraw/zinc/09/75/31/258097531.db2.gz GQQFSNWPMOCRMS-OAHLLOKOSA-N 0 3 345.491 2.979 50 0 EFAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc2c1CCC2 ZINC000299800658 258103387 /nfs/dbraw/zinc/10/33/87/258103387.db2.gz UTZWYQQBAPODDK-INIZCTEOSA-N 0 3 331.460 2.750 50 0 EFAAHN O=C(Nc1ccccc1CN1CCCCC1)N1CCc2n[nH]cc2C1 ZINC000299801009 258104033 /nfs/dbraw/zinc/10/40/33/258104033.db2.gz WWWZIRQKRZTKJA-UHFFFAOYSA-N 0 3 339.443 2.986 50 0 EFAAHN CN1CCC(Oc2ccc(NC(=O)N[C@H]3CC[C@H](O)CC3)cc2)CC1 ZINC000299800960 258104326 /nfs/dbraw/zinc/10/43/26/258104326.db2.gz WLVAERKLUSNXCW-KOMQPUFPSA-N 0 3 347.459 2.585 50 0 EFAAHN CC(C)NC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000299802427 258105641 /nfs/dbraw/zinc/10/56/41/258105641.db2.gz LUEOMUSOPFEYEI-DLBZAZTESA-N 0 3 344.459 2.525 50 0 EFAAHN CC(C)NC(=O)CN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071774817 258064041 /nfs/dbraw/zinc/06/40/41/258064041.db2.gz 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/nfs/dbraw/zinc/36/26/57/277362657.db2.gz DLEWWOLYQCWTGB-SFHVURJKSA-N 0 3 347.503 2.784 50 0 EFAAHN CC(C)(C)c1cc(-c2nccn2[C@H]2COC[C@@H]2N2CCCCC2)n[nH]1 ZINC000077298406 278556769 /nfs/dbraw/zinc/55/67/69/278556769.db2.gz KCEXHLUOTTUAIG-HOTGVXAUSA-N 0 3 343.475 2.997 50 0 EFAAHN Cc1n[nH]c(CCC(=O)NC[C@@H](c2ccccc2C)N(C)C)c1C ZINC000097155620 280191504 /nfs/dbraw/zinc/19/15/04/280191504.db2.gz BGOREGAQHFERRR-SFHVURJKSA-N 0 3 328.460 2.687 50 0 EFAAHN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000013331772 280320658 /nfs/dbraw/zinc/32/06/58/280320658.db2.gz OQCLBHXCBJNDDG-AMBYYYRHSA-N 0 3 338.451 2.682 50 0 EFAAHN Cc1cccc(NC[C@@H]2CCN([C@@H](C)C(=O)NC3CCCC3)C2)n1 ZINC000065575955 281246240 /nfs/dbraw/zinc/24/62/40/281246240.db2.gz ABXUUVIMEUTFIT-HOTGVXAUSA-N 0 3 330.476 2.571 50 0 EFAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 ZINC000072421496 290317421 /nfs/dbraw/zinc/31/74/21/290317421.db2.gz FGBATIXWORBPSU-ZWKOTPCHSA-N 0 3 330.472 2.699 50 0 EFAAHN CCN1CCC[C@@H]1CNC(=O)CCn1ccc2cc(OC)ccc21 ZINC000095477798 473212606 /nfs/dbraw/zinc/21/26/06/473212606.db2.gz XYOWUVSLWNQFOU-MRXNPFEDSA-N 0 3 329.444 2.641 50 0 EFAAHN Cc1nn(C)c2nc(NCCN(C)CCc3ccccc3)sc12 ZINC000095500122 473214219 /nfs/dbraw/zinc/21/42/19/473214219.db2.gz FRLZCJKIJXVFIE-UHFFFAOYSA-N 0 3 329.473 2.925 50 0 EFAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CCCCO2)CC1 ZINC000095500983 473214369 /nfs/dbraw/zinc/21/43/69/473214369.db2.gz WXVXGYXAQFTTAB-FQEVSTJZSA-N 0 3 344.499 2.969 50 0 EFAAHN Cc1noc(-c2ccc(N(C)C[C@H]3Cc4ccccc4CN3C)nc2)n1 ZINC000095507543 473215340 /nfs/dbraw/zinc/21/53/40/473215340.db2.gz FXVOXYLAKXWNHI-GOSISDBHSA-N 0 3 349.438 2.933 50 0 EFAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000095511634 473216466 /nfs/dbraw/zinc/21/64/66/473216466.db2.gz DKOGPAGOAAORBI-OAHLLOKOSA-N 0 3 339.443 2.970 50 0 EFAAHN CC(C)Cc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 ZINC000095528330 473220687 /nfs/dbraw/zinc/22/06/87/473220687.db2.gz SOKMTUUSIVJYMK-OAHLLOKOSA-N 0 3 345.443 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337.489 2.796 50 0 EFAAHN Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082098195 473287945 /nfs/dbraw/zinc/28/79/45/473287945.db2.gz HVNIDWUXHHQUHF-HXUWFJFHSA-N 0 3 348.462 2.721 50 0 EFAAHN O=C(CN1CCCCCC1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000082115264 473290353 /nfs/dbraw/zinc/29/03/53/473290353.db2.gz NDACFFQEAHCFJW-UHFFFAOYSA-N 0 3 333.451 2.740 50 0 EFAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000082134453 473293884 /nfs/dbraw/zinc/29/38/84/473293884.db2.gz NJKRMGCUMYBMTN-IBGZPJMESA-N 0 3 342.414 2.766 50 0 EFAAHN CCCN1CCCn2nc(CNC(=O)Nc3ccccc3F)cc2C1 ZINC000082137568 473294146 /nfs/dbraw/zinc/29/41/46/473294146.db2.gz NKNXHRFUZAMDCM-UHFFFAOYSA-N 0 3 345.422 2.960 50 0 EFAAHN O=C(NCc1cc2n(n1)CCCN(CC1CCCC1)C2)C1CCC1 ZINC000082167343 473297770 /nfs/dbraw/zinc/29/77/70/473297770.db2.gz GJYOVUGIWSZUQJ-UHFFFAOYSA-N 0 3 330.476 2.695 50 0 EFAAHN COCC1(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)CCC1 ZINC000082161567 473297893 /nfs/dbraw/zinc/29/78/93/473297893.db2.gz 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/nfs/dbraw/zinc/32/13/96/473321396.db2.gz OCAQEBFIDCRUSZ-MRXNPFEDSA-N 0 3 349.475 2.560 50 0 EFAAHN Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000084271 471320879 /nfs/dbraw/zinc/32/08/79/471320879.db2.gz GXCHUCZYPHVVSK-IBGZPJMESA-N 0 3 347.418 2.941 50 0 biogenic EFAAHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(C)ccc2C)C1 ZINC000000176321 471331696 /nfs/dbraw/zinc/33/16/96/471331696.db2.gz NIGJPTCHWRQBHJ-MRXNPFEDSA-N 0 3 332.444 2.907 50 0 EFAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000000207310 471334254 /nfs/dbraw/zinc/33/42/54/471334254.db2.gz ABYZJNSBCBPJEZ-MRXNPFEDSA-N 0 3 334.460 2.784 50 0 EFAAHN COc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)c(OC)c1 ZINC000000212293 471336190 /nfs/dbraw/zinc/33/61/90/471336190.db2.gz FFOXUMWZCBRROC-KRWDZBQOSA-N 0 3 346.471 2.928 50 0 EFAAHN CCOc1cc(CN2CCC[C@H](C(=O)N(CC)CC)C2)ccc1O ZINC000000241758 471339060 /nfs/dbraw/zinc/33/90/60/471339060.db2.gz GZXYHQSQVWGXEB-INIZCTEOSA-N 0 3 334.460 2.871 50 0 EFAAHN COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000000350356 471349424 /nfs/dbraw/zinc/34/94/24/471349424.db2.gz CHHJMBZCFHFPBH-UHFFFAOYSA-N 0 3 332.444 2.794 50 0 EFAAHN O=C(CCN1CCCC[C@H]1c1cccnc1)NCN1CCCCC1 ZINC000000486098 471365089 /nfs/dbraw/zinc/36/50/89/471365089.db2.gz QWRXNRWLIDVDJT-SFHVURJKSA-N 0 3 330.476 2.558 50 0 biogenic EFAAHN Cc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 ZINC000002734629 471419327 /nfs/dbraw/zinc/41/93/27/471419327.db2.gz TUXWDUQDYJRALJ-UHFFFAOYSA-N 0 3 336.501 2.880 50 0 EFAAHN CCOc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1OC(F)F ZINC000002791802 471421300 /nfs/dbraw/zinc/42/13/00/471421300.db2.gz RVIPJAUWBFRLFG-ZDUSSCGKSA-N 0 3 340.370 2.607 50 0 EFAAHN COc1cc(OC)c(OC)cc1CNCCc1ccc2c(c1)OCO2 ZINC000002902823 471427271 /nfs/dbraw/zinc/42/72/71/471427271.db2.gz CXCJPGYVDGUWQK-UHFFFAOYSA-N 0 3 345.395 2.773 50 0 EFAAHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000006455706 471545654 /nfs/dbraw/zinc/54/56/54/471545654.db2.gz OXWXXMDTFPNWGG-KDOFPFPSSA-N 0 3 328.412 2.736 50 0 EFAAHN Fc1ccccc1CNCCSc1nnnn1-c1ccccc1 ZINC000006661651 471557267 /nfs/dbraw/zinc/55/72/67/471557267.db2.gz HWBSPXPOHAMUHO-UHFFFAOYSA-N 0 3 329.404 2.683 50 0 EFAAHN Cc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000006719998 471563524 /nfs/dbraw/zinc/56/35/24/471563524.db2.gz UJDBARFWSBXZTM-UHFFFAOYSA-N 0 3 325.441 2.853 50 0 EFAAHN CC(C)c1ccc2oc(=O)cc(CN3CCC(C(N)=O)CC3)c2c1 ZINC000006760792 471567292 /nfs/dbraw/zinc/56/72/92/471567292.db2.gz COEMEKDUVOYFMY-UHFFFAOYSA-N 0 3 328.412 2.614 50 0 EFAAHN Cc1noc(C)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000008395547 471686938 /nfs/dbraw/zinc/68/69/38/471686938.db2.gz SPGDFJTYCIYGDP-UHFFFAOYSA-N 0 3 327.428 2.615 50 0 EFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1n[nH]c2c1CCCC2 ZINC000008744204 471704076 /nfs/dbraw/zinc/70/40/76/471704076.db2.gz UBEBKEVRRBJCPY-UHFFFAOYSA-N 0 3 338.455 2.683 50 0 EFAAHN CN(C[C@@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2)n1 ZINC000012595746 471785397 /nfs/dbraw/zinc/78/53/97/471785397.db2.gz HWHNOUXNKOICIC-HNNXBMFYSA-N 0 3 343.427 2.810 50 0 EFAAHN Cc1ccc(F)cc1CNC[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000012752603 471793390 /nfs/dbraw/zinc/79/33/90/471793390.db2.gz YSXDKGGNYKSJJB-LJQANCHMSA-N 0 3 336.451 2.623 50 0 EFAAHN CCN(CC)CCSc1nnc2c3cc(OC)ccc3[nH]c2n1 ZINC000013628502 471835040 /nfs/dbraw/zinc/83/50/40/471835040.db2.gz UZABKLPNZITMLA-UHFFFAOYSA-N 0 3 331.445 2.949 50 0 EFAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000013670437 471836938 /nfs/dbraw/zinc/83/69/38/471836938.db2.gz YEPBZVTUARYKSG-QGZVFWFLSA-N 0 3 342.480 2.900 50 0 EFAAHN Cc1ccc(C(C)C)c(OCC(=O)N2CCOC23CCN(C)CC3)c1 ZINC000013723276 471841340 /nfs/dbraw/zinc/84/13/40/471841340.db2.gz ZNZQTQFHAJIPDK-UHFFFAOYSA-N 0 3 346.471 2.778 50 0 EFAAHN Cc1c2ccc(C)cc2oc1C(=O)N1CCOC12CCN(C)CC2 ZINC000013735478 471842611 /nfs/dbraw/zinc/84/26/11/471842611.db2.gz ZIARFWPRWMKWRU-UHFFFAOYSA-N 0 3 328.412 2.944 50 0 EFAAHN CCN1C(=O)N(CCc2ccccc2)C2(CCN(C(C)C)CC2)C1=O ZINC000014532838 471873748 /nfs/dbraw/zinc/87/37/48/471873748.db2.gz LPCOBWIYRJVTMG-UHFFFAOYSA-N 0 3 343.471 2.756 50 0 EFAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cnn(C)c2)C1 ZINC000015064135 471887854 /nfs/dbraw/zinc/88/78/54/471887854.db2.gz QABXXTNAPXVBCE-FQEVSTJZSA-N 0 3 341.455 2.808 50 0 EFAAHN Cc1c(CN2CCC(CO)(CCc3ccccc3)CC2)cnn1C ZINC000015063404 471888127 /nfs/dbraw/zinc/88/81/27/471888127.db2.gz LHDMKVIQSYWXGL-UHFFFAOYSA-N 0 3 327.472 2.936 50 0 EFAAHN COC[C@H](C)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000015074912 471888621 /nfs/dbraw/zinc/88/86/21/471888621.db2.gz CLTLTNVHHLFLQF-AWEZNQCLSA-N 0 3 334.464 2.684 50 0 EFAAHN CN1CCC(N2CCC[C@H](NC(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000015075477 471888868 /nfs/dbraw/zinc/88/88/68/471888868.db2.gz LVGYOBHBGKISPP-FJSNCCPHSA-N 0 3 345.462 2.672 50 0 EFAAHN Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000017067547 471954121 /nfs/dbraw/zinc/95/41/21/471954121.db2.gz VAMYPDHNFKKFRX-UHFFFAOYSA-N 0 3 329.444 2.710 50 0 EFAAHN CC(=O)N(c1ccc(C)cc1)C1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000018148904 471970182 /nfs/dbraw/zinc/97/01/82/471970182.db2.gz XROPYLIYALJKLM-SFHVURJKSA-N 0 3 336.391 2.988 50 0 EFAAHN CCN(CCN(C)C)c1ncnc2c1ncn2-c1ccc(Cl)cc1 ZINC000019928117 471985868 /nfs/dbraw/zinc/98/58/68/471985868.db2.gz NWLNLHNYPYJVRA-UHFFFAOYSA-N 0 3 344.850 2.857 50 0 EFAAHN Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107840 471994034 /nfs/dbraw/zinc/99/40/34/471994034.db2.gz WETNHZVOLPIATI-MAUKXSAKSA-N 0 3 339.487 2.699 50 0 biogenic EFAAHN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccncc4)CC3)[nH]n2)cc1 ZINC000022309476 472012987 /nfs/dbraw/zinc/01/29/87/472012987.db2.gz MVLLCUAHYJDCNE-UHFFFAOYSA-N 0 3 347.422 2.743 50 0 EFAAHN Cc1cc(C(=O)Nc2cccc(O[C@@]34CCN(C3)CCC4)c2)no1 ZINC000067774343 472088632 /nfs/dbraw/zinc/08/86/32/472088632.db2.gz XSKGGVDOIJXAOY-SFHVURJKSA-N 0 3 327.384 2.852 50 0 EFAAHN CCCN1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000027520809 472179316 /nfs/dbraw/zinc/17/93/16/472179316.db2.gz KBYRJQLFUMUNLE-IBGZPJMESA-N 0 3 339.435 2.950 50 0 EFAAHN CC(C)c1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000042995739 472187618 /nfs/dbraw/zinc/18/76/18/472187618.db2.gz FGANKNDRFDJEHC-GOSISDBHSA-N 0 3 334.508 2.734 50 0 EFAAHN CCN1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1 ZINC000028403225 472224257 /nfs/dbraw/zinc/22/42/57/472224257.db2.gz CLQRVUASLQFVGE-UHFFFAOYSA-N 0 3 335.517 2.818 50 0 EFAAHN CCN1CCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000044571156 472318102 /nfs/dbraw/zinc/31/81/02/472318102.db2.gz AZOMOOWMZYDWME-INIZCTEOSA-N 0 3 329.469 2.953 50 0 EFAAHN CN(C)Cc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000069589215 472376563 /nfs/dbraw/zinc/37/65/63/472376563.db2.gz WYJLSHRAFQPHTK-UHFFFAOYSA-N 0 3 335.411 2.640 50 0 EFAAHN CN(C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1N ZINC000045796087 472465944 /nfs/dbraw/zinc/46/59/44/472465944.db2.gz STFYGVHARQZZSN-UHFFFAOYSA-N 0 3 327.384 2.812 50 0 EFAAHN Cc1ccc(-c2n[nH]cc2CN[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000097199487 472474671 /nfs/dbraw/zinc/47/46/71/472474671.db2.gz KBNLCLRHWRZDKW-AWEZNQCLSA-N 0 3 340.431 2.798 50 0 EFAAHN Cc1nnc2n1C[C@@H](NCc1ccccc1OCc1ccccn1)CC2 ZINC000097199465 472475686 /nfs/dbraw/zinc/47/56/86/472475686.db2.gz KLSMJAFPDDUHTL-KRWDZBQOSA-N 0 3 349.438 2.665 50 0 EFAAHN CCn1c(CN(C)C)nnc1C1CCN(Cc2ccccc2)CC1 ZINC000077285738 472494735 /nfs/dbraw/zinc/49/47/35/472494735.db2.gz MRPSDZXSHADAFK-UHFFFAOYSA-N 0 3 327.476 2.739 50 0 EFAAHN O=C(CN1CCCCCC1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077299994 472496706 /nfs/dbraw/zinc/49/67/06/472496706.db2.gz JNDYPWGBNBVJMZ-HXUWFJFHSA-N 0 3 344.499 2.705 50 0 EFAAHN CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCN1C(C)C ZINC000077408333 472522793 /nfs/dbraw/zinc/52/27/93/472522793.db2.gz PMHIUVWLVKXZLE-QGZVFWFLSA-N 0 3 326.444 2.817 50 0 EFAAHN Cc1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 ZINC000077436372 472526574 /nfs/dbraw/zinc/52/65/74/472526574.db2.gz KWXDVNXPEIWPEN-UHFFFAOYSA-N 0 3 341.480 2.767 50 0 EFAAHN Cc1nc(NC(=O)[C@H](C)N2CCC(c3ccn[nH]3)CC2)sc1C ZINC000058266142 472529421 /nfs/dbraw/zinc/52/94/21/472529421.db2.gz DFCNGKJQCNDECM-NSHDSACASA-N 0 3 333.461 2.690 50 0 EFAAHN Cc1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)c(C)o1 ZINC000077485874 472535994 /nfs/dbraw/zinc/53/59/94/472535994.db2.gz VQGJRXQIENVUFX-UHFFFAOYSA-N 0 3 339.439 2.607 50 0 EFAAHN O=C1CC2(CN1)CCN(Cc1cc(=O)c3cc(Cl)ccc3[nH]1)CC2 ZINC000077504111 472540694 /nfs/dbraw/zinc/54/06/94/472540694.db2.gz OUWDNZGBGGFFCL-UHFFFAOYSA-N 0 3 345.830 2.696 50 0 EFAAHN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C[C@@H]1CNCCO1 ZINC000077515828 472545073 /nfs/dbraw/zinc/54/50/73/472545073.db2.gz ASYIGANMBXRLJP-LJQANCHMSA-N 0 3 340.423 2.816 50 0 EFAAHN Cc1c(CN2CC[C@H](CNC(=O)c3cnccn3)C2)[nH]c2ccccc12 ZINC000071278744 472546687 /nfs/dbraw/zinc/54/66/87/472546687.db2.gz XIKOEBJCSKBXKI-OAHLLOKOSA-N 0 3 349.438 2.518 50 0 EFAAHN COc1cc(CN2CCC(CCn3cccn3)CC2)cc2c1OCO2 ZINC000077536223 472549811 /nfs/dbraw/zinc/54/98/11/472549811.db2.gz GKTPTQMOPNNJOI-UHFFFAOYSA-N 0 3 343.427 2.923 50 0 EFAAHN CC(C)[C@@H]1CN(c2cc(N)ncn2)CCCN1Cc1ccc(F)cc1 ZINC000071746201 472558455 /nfs/dbraw/zinc/55/84/55/472558455.db2.gz JFQOQECGUNSBSN-KRWDZBQOSA-N 0 3 343.450 2.935 50 0 EFAAHN CC(C)(N)C(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000071764813 472563310 /nfs/dbraw/zinc/56/33/10/472563310.db2.gz PQJQYYPJONPXPS-UHFFFAOYSA-N 0 3 334.423 2.852 50 0 EFAAHN CCN(CC)CCn1c2ccccc2[n+]([O-])c(-c2ccccc2)c1=O ZINC000102195122 472566990 /nfs/dbraw/zinc/56/69/90/472566990.db2.gz YCRRAHNPBJUDKA-UHFFFAOYSA-N 0 3 337.423 2.644 50 0 EFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)/C=C/c3ccccc3)CC2)[C@H]1O ZINC000072165652 472632803 /nfs/dbraw/zinc/63/28/03/472632803.db2.gz RNQZDFZFNAZXSK-HZYCFNBMSA-N 0 3 348.446 2.635 50 0 EFAAHN CN(C)[C@@H](CNC(=O)c1c(F)cccc1F)c1ccc2c(c1)CCO2 ZINC000090607234 472642896 /nfs/dbraw/zinc/64/28/96/472642896.db2.gz MHYMGTSIJQAXRS-INIZCTEOSA-N 0 3 346.377 2.932 50 0 EFAAHN O=C(NC1CCCCC1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700918 472653939 /nfs/dbraw/zinc/65/39/39/472653939.db2.gz QAMMBTFRIXIYEG-INIZCTEOSA-N 0 3 325.522 2.932 50 0 EFAAHN Cc1ccc(C)c(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000060843757 472680002 /nfs/dbraw/zinc/68/00/02/472680002.db2.gz MZCKBOGSUNJAFR-IYBDPMFKSA-N 0 3 338.517 2.950 50 0 EFAAHN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccncc2)CC1 ZINC000061742999 472716969 /nfs/dbraw/zinc/71/69/69/472716969.db2.gz SHEFGFPCOIPELQ-UHFFFAOYSA-N 0 3 340.471 2.882 50 0 EFAAHN COCCCN1CC2(CCC1=O)CCN(Cc1ccncc1C)CC2 ZINC000091254665 472749368 /nfs/dbraw/zinc/74/93/68/472749368.db2.gz LLMTVAWREBWKCP-UHFFFAOYSA-N 0 3 345.487 2.631 50 0 EFAAHN CCCn1cc(C(=O)N(C)[C@@H](CN(C)C)c2ccccc2)c(C)n1 ZINC000091325276 472757093 /nfs/dbraw/zinc/75/70/93/472757093.db2.gz JWZQPEORFVPTFV-SFHVURJKSA-N 0 3 328.460 2.976 50 0 EFAAHN Cc1ccc(-c2cccc(CN3CCC4(CC3)[C@H](O)C[C@@H]4O)c2)o1 ZINC000091320964 472757553 /nfs/dbraw/zinc/75/75/53/472757553.db2.gz UEMODNXGNLDFCM-KDURUIRLSA-N 0 3 327.424 2.963 50 0 EFAAHN CCCc1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)[nH]n1 ZINC000091381077 472761825 /nfs/dbraw/zinc/76/18/25/472761825.db2.gz DTTHEOGEQKHWPC-UHFFFAOYSA-N 0 3 340.471 2.972 50 0 EFAAHN CCN1CC2(CCC1=O)CCN(CCOc1ccccc1OC)CC2 ZINC000092020489 472844714 /nfs/dbraw/zinc/84/47/14/472844714.db2.gz NQCIMJODJVUNMR-UHFFFAOYSA-N 0 3 346.471 2.799 50 0 EFAAHN COc1cccc(OC)c1OCCNCc1ccc2c(c1)OCO2 ZINC000065370424 472926974 /nfs/dbraw/zinc/92/69/74/472926974.db2.gz JWUCDQOVLBMVAP-UHFFFAOYSA-N 0 3 331.368 2.601 50 0 EFAAHN CCN(Cc1ccc(C(=O)Nc2nncs2)cc1)C[C@H]1CCCO1 ZINC000065396098 472932138 /nfs/dbraw/zinc/93/21/38/472932138.db2.gz NNQBOEVIQBWVFO-OAHLLOKOSA-N 0 3 346.456 2.791 50 0 EFAAHN COc1cccc([C@@H]2CCN(Cc3cnn(C)c3C3CC3)C[C@H]2O)c1 ZINC000065396823 472932276 /nfs/dbraw/zinc/93/22/76/472932276.db2.gz GEZHGXGXNNKIDS-RBUKOAKNSA-N 0 3 341.455 2.657 50 0 EFAAHN Cc1cc(N(C)CC2CCN(CCO)CC2)nc(-c2ccccc2)n1 ZINC000065398503 472933659 /nfs/dbraw/zinc/93/36/59/472933659.db2.gz ZONMFGVTFVABBR-UHFFFAOYSA-N 0 3 340.471 2.593 50 0 EFAAHN COc1ccc(C(=O)CCC(=O)N2CCC3(CCN(C)C3)CC2)cc1 ZINC000065406063 472935711 /nfs/dbraw/zinc/93/57/11/472935711.db2.gz XWZCDOKHZHAGNY-UHFFFAOYSA-N 0 3 344.455 2.602 50 0 EFAAHN C[C@H](NC(=O)CCNCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000065456288 472945662 /nfs/dbraw/zinc/94/56/62/472945662.db2.gz CKPGIDLKBTXPIF-AWEZNQCLSA-N 0 3 326.396 2.772 50 0 EFAAHN c1ccc(NC[C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000065477948 472953501 /nfs/dbraw/zinc/95/35/01/472953501.db2.gz QQRHHBKTVOULJJ-INIZCTEOSA-N 0 3 325.412 2.787 50 0 EFAAHN COc1ccccc1OCCCN1CC=C(c2cnn(C)c2)CC1 ZINC000065499172 472957262 /nfs/dbraw/zinc/95/72/62/472957262.db2.gz FYNUWSWRXIBPBO-UHFFFAOYSA-N 0 3 327.428 2.987 50 0 EFAAHN O[C@@H](COCc1ccccc1Cl)CN1CCC(c2cc[nH]n2)CC1 ZINC000065512249 472961741 /nfs/dbraw/zinc/96/17/41/472961741.db2.gz FSYCLVISJYQDLG-MRXNPFEDSA-N 0 3 349.862 2.820 50 0 EFAAHN Cc1ccc(NC(=O)CNC(=O)C2(N3CCCC3)CCCC2)c(F)c1 ZINC000065530237 472968073 /nfs/dbraw/zinc/96/80/73/472968073.db2.gz JFAPTGHROLSLOC-UHFFFAOYSA-N 0 3 347.434 2.597 50 0 EFAAHN Cc1nnc2n1C[C@H](NCc1cc(Br)cs1)CC2 ZINC000065542856 472972712 /nfs/dbraw/zinc/97/27/12/472972712.db2.gz SFWJZTKEEZSJFH-SNVBAGLBSA-N 0 3 327.251 2.515 50 0 EFAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H](c1ccc(F)cc1)N(C)C ZINC000095390116 473194124 /nfs/dbraw/zinc/19/41/24/473194124.db2.gz CSSHWMJOFKJYQH-LJQANCHMSA-N 0 3 343.446 2.806 50 0 EFAAHN CN1CCCN(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)CC1 ZINC000218935218 474146212 /nfs/dbraw/zinc/14/62/12/474146212.db2.gz LMDLZGZCYAQIKR-GOSISDBHSA-N 0 3 333.451 2.517 50 0 EFAAHN Cc1nn(CCCNC(=O)C2(N3CCCC3)CCCC2)c(C)c1C ZINC000222224886 474166259 /nfs/dbraw/zinc/16/62/59/474166259.db2.gz CNIAPJMEXQQDBF-UHFFFAOYSA-N 0 3 332.492 2.723 50 0 EFAAHN O[C@H]1C[C@@H]([C@H](NC2CCN(Cc3ccco3)CC2)c2ccccn2)C1 ZINC000222243250 474167013 /nfs/dbraw/zinc/16/70/13/474167013.db2.gz HQEAAVRBEVLGEJ-KNBMTAEXSA-N 0 3 341.455 2.741 50 0 EFAAHN O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000222698557 474172404 /nfs/dbraw/zinc/17/24/04/474172404.db2.gz ASTSLFCONZTWSC-LJQANCHMSA-N 0 3 342.483 2.895 50 0 EFAAHN Cc1noc(C)c1CN(C)C(=O)C1(c2ccccc2)CCN(C)CC1 ZINC000223335678 474184018 /nfs/dbraw/zinc/18/40/18/474184018.db2.gz UBPCASWNJCCABJ-UHFFFAOYSA-N 0 3 341.455 2.913 50 0 EFAAHN Cn1ncc2c1nc(C1CCCC1)nc2N1CCN2CCCC[C@H]2C1 ZINC000240228130 474549789 /nfs/dbraw/zinc/54/97/89/474549789.db2.gz KGLPFFDZERDJFG-HNNXBMFYSA-N 0 3 340.475 2.695 50 0 EFAAHN C[C@H]1CCCCN1C1CN(CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000240500003 474550501 /nfs/dbraw/zinc/55/05/01/474550501.db2.gz NQLDGIFEYZNKGD-HNNXBMFYSA-N 0 3 349.906 2.905 50 0 EFAAHN C[C@@H](c1ccc2c(c1)OCCO2)N(C)CCC(=O)Nc1nccs1 ZINC000252483980 474668765 /nfs/dbraw/zinc/66/87/65/474668765.db2.gz FLPFKDDIYQSPJJ-LBPRGKRZSA-N 0 3 347.440 2.936 50 0 EFAAHN c1ccc(-c2ccnc(N3CCN(C[C@@H]4CCCOC4)CC3)n2)cc1 ZINC000252485148 474671687 /nfs/dbraw/zinc/67/16/87/474671687.db2.gz GOBYZRTWMKCPSZ-KRWDZBQOSA-N 0 3 338.455 2.692 50 0 EFAAHN C[C@H]1CCCCN1C1CN(CCC(=O)Nc2ccc(F)cc2F)C1 ZINC000252492026 474677341 /nfs/dbraw/zinc/67/73/41/474677341.db2.gz MBCXCHRDDHVCHW-ZDUSSCGKSA-N 0 3 337.414 2.852 50 0 EFAAHN CC1=C(c2ccccc2)[C@@H]1C(=O)NCCCOC1CCN(C)CC1 ZINC000252505723 474684255 /nfs/dbraw/zinc/68/42/55/474684255.db2.gz VTFAKGCCHLXSJH-LJQANCHMSA-N 0 3 328.456 2.707 50 0 EFAAHN COc1ccc2c(c1)[C@@H](C)N(C(=O)CSCCN1CCCC1)CC2 ZINC000426518699 477712087 /nfs/dbraw/zinc/71/20/87/477712087.db2.gz FHMNUNRDDQKYOP-OAHLLOKOSA-N 0 3 348.512 2.970 50 0 EFAAHN Nc1ccnc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)c1 ZINC000426555774 477721012 /nfs/dbraw/zinc/72/10/12/477721012.db2.gz BIKPFQWTBRUHEN-UHFFFAOYSA-N 0 3 325.412 2.756 50 0 EFAAHN CN(C)Cc1ccccc1CN(C)c1cc([C@@H]2CCOC2)ncn1 ZINC000426612305 477726392 /nfs/dbraw/zinc/72/63/92/477726392.db2.gz GOQCILDAQMJVKJ-QGZVFWFLSA-N 0 3 326.444 2.679 50 0 EFAAHN CN(CCOc1cccc(Cl)c1)C(=O)NC[C@H]1CCCCN1C ZINC000426647848 477732511 /nfs/dbraw/zinc/73/25/11/477732511.db2.gz AFTPHSDKKXTNLT-OAHLLOKOSA-N 0 3 339.867 2.845 50 0 EFAAHN O=C(N[C@H]1c2ccccc2C[C@@H]1O)C1(N2CCCCC2)CCCCC1 ZINC000426668281 477736033 /nfs/dbraw/zinc/73/60/33/477736033.db2.gz IEGBSHFMLAECSK-OALUTQOASA-N 0 3 342.483 2.950 50 0 EFAAHN Cc1cccc(C)c1OC1CN(C(=O)NC[C@H]2CCCCN2C)C1 ZINC000426722691 477743784 /nfs/dbraw/zinc/74/37/84/477743784.db2.gz TWJZABQLDGQXAG-MRXNPFEDSA-N 0 3 331.460 2.560 50 0 EFAAHN Cc1ccccc1[C@@H](CNC(=O)N(C)CC1CCOCC1)N(C)C ZINC000534632395 478162982 /nfs/dbraw/zinc/16/29/82/478162982.db2.gz AEIDRGLCAJIGOQ-GOSISDBHSA-N 0 3 333.476 2.666 50 0 EFAAHN C[C@H](CNC(=O)N1CCC(OCc2ccccc2)CC1)N1CCCC1 ZINC000534634199 478163760 /nfs/dbraw/zinc/16/37/60/478163760.db2.gz XJBMWVNMIVPNSA-QGZVFWFLSA-N 0 3 345.487 2.862 50 0 EFAAHN CN(C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1)[C@@H]1CCN(C)C1 ZINC000534670089 478167980 /nfs/dbraw/zinc/16/79/80/478167980.db2.gz MUWYKKBDVNZUBF-OAHLLOKOSA-N 0 3 344.846 2.760 50 0 EFAAHN Cc1cccc(CN(C(=O)NCCN(C)CCO)C2CCCCC2)c1 ZINC000534669344 478168032 /nfs/dbraw/zinc/16/80/32/478168032.db2.gz IKMHUUQYXYJINC-UHFFFAOYSA-N 0 3 347.503 2.763 50 0 EFAAHN CN(CC[C@H](O)c1ccccc1)C(=O)NCCN1CCCCCC1 ZINC000534671597 478168474 /nfs/dbraw/zinc/16/84/74/478168474.db2.gz QLWGJBPGHQMISL-SFHVURJKSA-N 0 3 333.476 2.628 50 0 EFAAHN C[C@H](CN1CCCC1)NC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000534676819 478169912 /nfs/dbraw/zinc/16/99/12/478169912.db2.gz CIGFESBFXDNDNT-OAHLLOKOSA-N 0 3 341.459 2.702 50 0 EFAAHN CCN(C[C@@H]1CCN(C)C1)C(=O)NCc1ccc(F)cc1Cl ZINC000584898471 479275402 /nfs/dbraw/zinc/27/54/02/479275402.db2.gz KVIUZCCXXANEFL-GFCCVEGCSA-N 0 3 327.831 2.962 50 0 EFAAHN CCN1CC[C@@H](NC(=O)N(CCCOC)Cc2ccc(C)cc2)C1 ZINC000584902886 479276754 /nfs/dbraw/zinc/27/67/54/479276754.db2.gz FCFQPSBVWHGQOF-GOSISDBHSA-N 0 3 333.476 2.637 50 0 EFAAHN CC(=O)OC(C)(C)C(=O)NC[C@@H](c1csc2ccccc21)N(C)C ZINC000575622428 479459385 /nfs/dbraw/zinc/45/93/85/479459385.db2.gz YRBWZGLMLJLJFT-HNNXBMFYSA-N 0 3 348.468 2.962 50 0 EFAAHN COc1ccccc1CNCCSc1nnnn1-c1ccccc1 ZINC000004841651 524486403 /nfs/dbraw/zinc/48/64/03/524486403.db2.gz ZCXHIVUMEDPWRX-UHFFFAOYSA-N 0 3 341.440 2.553 50 0 EFAAHN CCO[C@H]1CN(C2CCN(c3ccc(C)c(Cl)c3)CC2)C[C@@H]1O ZINC000219159305 535635178 /nfs/dbraw/zinc/63/51/78/535635178.db2.gz JXVAVMQKNAFCBW-ROUUACIJSA-N 0 3 338.879 2.699 50 0 EFAAHN CN(C)CCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000218278235 535883350 /nfs/dbraw/zinc/88/33/50/535883350.db2.gz SWAYQQUFNGAJOJ-MRXNPFEDSA-N 0 3 333.863 2.993 50 0 EFAAHN CN(Cc1cc2ccccc2n(C)c1=O)C[C@@H]1Cc2ccccc2O1 ZINC000244828636 536460922 /nfs/dbraw/zinc/46/09/22/536460922.db2.gz TZWDZUDEPJDXIU-SFHVURJKSA-N 0 3 334.419 2.974 50 0 EFAAHN CN(Cc1noc2c1CCCC2)C(=O)NC(C)(C)CN1CCCCC1 ZINC000426411169 536487440 /nfs/dbraw/zinc/48/74/40/536487440.db2.gz CEYYRUVQVXHFAD-UHFFFAOYSA-N 0 3 348.491 2.959 50 0 EFAAHN COc1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cn1 ZINC000426494317 536896788 /nfs/dbraw/zinc/89/67/88/536896788.db2.gz FNBSAYZCGSAQDU-VQIMIIECSA-N 0 3 326.396 2.647 50 0 EFAAHN COc1ccc2cc(CN(C)C(=O)CNC[C@@H]3CCCO3)ccc2c1 ZINC000263261625 537032384 /nfs/dbraw/zinc/03/23/84/537032384.db2.gz SSEIBOBHAGHYLD-IBGZPJMESA-N 0 3 342.439 2.575 50 0 EFAAHN CCOc1ccc(CN2CC[C@@H](CC(=O)NC)C2)c(OCC)c1C ZINC000670452704 547492489 /nfs/dbraw/zinc/49/24/89/547492489.db2.gz NGPNTWPWIHJNPK-HNNXBMFYSA-N 0 3 334.460 2.750 50 0 EFAAHN CCn1ccc2cc(CN3CCN(CC4CC4)[C@H](CCO)C3)ccc21 ZINC000670453079 547492561 /nfs/dbraw/zinc/49/25/61/547492561.db2.gz KYOIVGZMGPVNIF-HXUWFJFHSA-N 0 3 341.499 2.940 50 0 EFAAHN CC[C@H](C)CNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299804037 568419842 /nfs/dbraw/zinc/41/98/42/568419842.db2.gz UHHHJWVMGQLORV-KRWDZBQOSA-N 0 3 332.488 2.814 50 0 EFAAHN CN1CCC[C@]2(CCN(Cc3cc4c(cc3Cl)OCO4)C2)C1=O ZINC000012750780 1265468989 /nfs/dbraw/zinc/46/89/89/1265468989.db2.gz FWFMPIUDJJTQES-QGZVFWFLSA-N 0 3 336.819 2.513 50 0 EFAAHN COc1cccc(-c2nn3c(nnc3C3CCN(C)CC3)s2)c1 ZINC000824789993 1266943566 /nfs/dbraw/zinc/94/35/66/1266943566.db2.gz WFBSMIQZUVXWDL-UHFFFAOYSA-N 0 3 329.429 2.671 50 0 EFAAHN COc1ccccc1Cc1nn2c(nnc2C2CCN(C)CC2)s1 ZINC000824821834 1266946606 /nfs/dbraw/zinc/94/66/06/1266946606.db2.gz BKJUIEDLMLJJJJ-UHFFFAOYSA-N 0 3 343.456 2.594 50 0 EFAAHN C[C@H](CCNC(=O)CC12CC3CC(CC(C3)C1)C2)N1CCN(C)CC1 ZINC000952963769 1284921438 /nfs/dbraw/zinc/92/14/38/1284921438.db2.gz KBUWRXPRTZPQQU-HINLZNOGSA-N 0 3 347.547 2.735 50 0 EFAAHN OC[C@H]1CCCN(CCNCc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000952963893 1284923272 /nfs/dbraw/zinc/92/32/72/1284923272.db2.gz AJQURVGFKLNUJT-AWEZNQCLSA-N 0 3 349.475 2.743 50 0 EFAAHN COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@H](C)N ZINC000952973212 1284945617 /nfs/dbraw/zinc/94/56/17/1284945617.db2.gz MYDHTTIZVKQBBV-AWEZNQCLSA-N 0 3 330.403 2.753 50 0 EFAAHN CNC(=O)c1ccc(NC(=O)c2ccc(CN(C)C)cc2)c(C)c1 ZINC000952991733 1284967534 /nfs/dbraw/zinc/96/75/34/1284967534.db2.gz RYXVLNYRVWDJFK-UHFFFAOYSA-N 0 3 325.412 2.669 50 0 EFAAHN CC(C)n1ccnc1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000091616431 1290312460 /nfs/dbraw/zinc/31/24/60/1290312460.db2.gz KDGRMCTVIZXOOD-GOSISDBHSA-N 0 3 340.471 2.740 50 0 EFAAHN Cc1nn(CCO)c(C)c1CN[C@H](C)c1ccccc1-n1cccn1 ZINC000305057610 1295863733 /nfs/dbraw/zinc/86/37/33/1295863733.db2.gz FORCNKAXYFPJCO-CQSZACIVSA-N 0 3 339.443 2.529 50 0 EFAAHN CC(C)N1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000885939175 1296013791 /nfs/dbraw/zinc/01/37/91/1296013791.db2.gz UHXQEDXQRYIGIA-OAHLLOKOSA-N 0 3 330.881 2.632 50 0 EFAAHN c1ncc(CN2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)[nH]1 ZINC000019300049 1314417863 /nfs/dbraw/zinc/41/78/63/1314417863.db2.gz FIPOZFLDRZCUHX-UHFFFAOYSA-N 0 3 336.443 2.504 50 0 EFAAHN COc1ccc(OCCC[N@@H+]2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC001506407421 1405754189 /nfs/dbraw/zinc/75/41/89/1405754189.db2.gz RXXBVSLAOSDBLQ-OAHLLOKOSA-N 0 3 343.427 2.839 50 0 EFAAHN COc1ccc(OCCC[N@H+]2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC001506407421 1405754194 /nfs/dbraw/zinc/75/41/94/1405754194.db2.gz RXXBVSLAOSDBLQ-OAHLLOKOSA-N 0 3 343.427 2.839 50 0 EFAAHN Cc1cc(C(N)=O)c(NC[C@@H]2CCCN(Cc3ccco3)C2)nc1C ZINC001704300322 1417901305 /nfs/dbraw/zinc/90/13/05/1417901305.db2.gz UTWZDEMBGRBREC-HNNXBMFYSA-N 0 3 342.443 2.714 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1csc2c1CCCC2 ZINC001704309777 1417903461 /nfs/dbraw/zinc/90/34/61/1417903461.db2.gz SKDYWMIJJMCBCD-UHFFFAOYSA-N 0 3 346.500 2.862 50 0 EFAAHN CN(C)CCN(Cc1c[nH]cn1)C(=O)CCCc1ccc(Cl)cc1 ZINC001704311665 1417904063 /nfs/dbraw/zinc/90/40/63/1417904063.db2.gz PARICNKKZDOCNZ-UHFFFAOYSA-N 0 3 348.878 2.976 50 0 EFAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cc(F)ccc1Cl ZINC001704335764 1417909697 /nfs/dbraw/zinc/90/96/97/1417909697.db2.gz RFZWKLDETQZSBL-UHFFFAOYSA-N 0 3 338.814 2.715 50 0 EFAAHN CN(C)CCN(Cc1c[nH]cn1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001704337751 1417911201 /nfs/dbraw/zinc/91/12/01/1417911201.db2.gz YXIBRGIYWBJBEJ-UHFFFAOYSA-N 0 3 328.460 2.911 50 0 EFAAHN Fc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000022851694 715248680 /nfs/dbraw/zinc/24/86/80/715248680.db2.gz XMJORVCLWKQPKN-GOSISDBHSA-N 0 3 329.419 2.671 50 0 EFAAHN CN(c1ccccc1)c1ccc(CN2CCN(C)[C@H](CCO)C2)cc1 ZINC000104544200 715746790 /nfs/dbraw/zinc/74/67/90/715746790.db2.gz IVACGURDWMTGAV-OAQYLSRUSA-N 0 3 339.483 2.953 50 0 EFAAHN