smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)C1CCCCC1 ZINC000003348169 210014935 /nfs/dbraw/zinc/01/49/35/210014935.db2.gz VIGUFBWERMJIAM-LLVKDONJSA-N 0 3 329.271 4.585 50 0 EJAAHN Cc1cc(CN2CCCC2)ccc1Oc1ccc(-c2ccccc2)nn1 ZINC000067755154 215202624 /nfs/dbraw/zinc/20/26/24/215202624.db2.gz VNDRBEVDALBQNW-UHFFFAOYSA-N 0 3 345.446 4.840 50 0 EJAAHN COc1ccc([C@H](CCNCc2ccco2)Cc2ccccc2)cc1 ZINC000001808429 209797583 /nfs/dbraw/zinc/79/75/83/209797583.db2.gz KGMHFIBEEIRSCJ-HXUWFJFHSA-N 0 3 335.447 4.794 50 0 biogenic EJAAHN Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(Cc2ccsc2)C1 ZINC000019229264 202001451 /nfs/dbraw/zinc/00/14/51/202001451.db2.gz HOALIXAEBHDZBJ-KRWDZBQOSA-N 0 3 337.492 4.826 50 0 EJAAHN COc1ccc(CN2CCCCC[C@H]2c2ccc(C)s2)cc1O ZINC000033087153 202249164 /nfs/dbraw/zinc/24/91/64/202249164.db2.gz LORBOIIYIXMRSN-INIZCTEOSA-N 0 3 331.481 4.888 50 0 EJAAHN CC(C)Cn1cncc1CN1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072153973 216042431 /nfs/dbraw/zinc/04/24/31/216042431.db2.gz GAHAWWPHPAPNQE-LJQANCHMSA-N 0 3 343.490 4.523 50 0 EJAAHN COc1ccc(CCN(C)C/C=C(\C)CCC=C(C)C)cc1OC ZINC000023282191 212366305 /nfs/dbraw/zinc/36/63/05/212366305.db2.gz DDHCGUUNSTXNGE-LDADJPATSA-N 0 3 331.500 4.871 50 0 EJAAHN CCc1onc(C)c1[C@@H]1CCCN1Cc1cn(CC)c2ccccc12 ZINC000021720759 212244027 /nfs/dbraw/zinc/24/40/27/212244027.db2.gz FTCKXRXMKHWPRN-IBGZPJMESA-N 0 3 337.467 4.857 50 0 EJAAHN Cc1cc([C@H](C)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)no1 ZINC000242178828 243012669 /nfs/dbraw/zinc/01/26/69/243012669.db2.gz XBEFWICBYROOJF-AGIUHOORSA-N 0 3 326.362 4.845 50 0 EJAAHN Cc1cc(C)c(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1C ZINC000020783774 212171600 /nfs/dbraw/zinc/17/16/00/212171600.db2.gz XWKIVFFXDMUBPM-QGZVFWFLSA-N 0 3 346.478 4.623 50 0 EJAAHN CCc1c[nH]nc1C1CCN(Cc2cccc(-c3ccco3)c2)CC1 ZINC000019782119 212066910 /nfs/dbraw/zinc/06/69/10/212066910.db2.gz ALKJVBLGSHBZBE-UHFFFAOYSA-N 0 3 335.451 4.612 50 0 EJAAHN COCCC[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1F ZINC000077524877 203393681 /nfs/dbraw/zinc/39/36/81/203393681.db2.gz WQSZYPXIIBQCEI-OAHLLOKOSA-N 0 3 333.369 4.626 50 0 EJAAHN c1ccc(OCCN(Cc2nc3ccccc3[nH]2)C2CCCCC2)cc1 ZINC000019201953 212004071 /nfs/dbraw/zinc/00/40/71/212004071.db2.gz YMYMZKUTECEJGV-UHFFFAOYSA-N 0 3 349.478 4.777 50 0 EJAAHN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cccnc1 ZINC000078553902 217074770 /nfs/dbraw/zinc/07/47/70/217074770.db2.gz SNZFUDFUDCGXJO-GFCCVEGCSA-N 0 3 327.428 4.503 50 0 EJAAHN Cc1c([C@H](C)NCc2cc(C)ccc2C)cnn1-c1cccc(F)c1 ZINC000012459813 211388712 /nfs/dbraw/zinc/38/87/12/211388712.db2.gz VGTZBKOADUEPIH-INIZCTEOSA-N 0 3 337.442 4.787 50 0 EJAAHN CCc1ccc(CN[C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)cc1 ZINC000011880000 211264609 /nfs/dbraw/zinc/26/46/09/211264609.db2.gz PCNOLOYBJADENA-MRXNPFEDSA-N 0 3 349.478 4.603 50 0 EJAAHN CCc1cccc(C)c1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010371991 211168712 /nfs/dbraw/zinc/16/87/12/211168712.db2.gz SBRHVBKPYIMPFL-UHFFFAOYSA-N 0 3 336.479 4.796 50 0 EJAAHN Nc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1 ZINC000095100107 218281698 /nfs/dbraw/zinc/28/16/98/218281698.db2.gz LPZANDXNFFSJNE-UHFFFAOYSA-N 0 3 328.586 4.898 50 0 EJAAHN Nc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 ZINC000095100107 218281701 /nfs/dbraw/zinc/28/17/01/218281701.db2.gz LPZANDXNFFSJNE-UHFFFAOYSA-N 0 3 328.586 4.898 50 0 EJAAHN COc1cc([C@@H](C)NCc2cccc3cccnc32)ccc1SC ZINC000095421287 218362585 /nfs/dbraw/zinc/36/25/85/218362585.db2.gz KDGWIXSNXLLTIC-CQSZACIVSA-N 0 3 338.476 4.816 50 0 EJAAHN COc1cc(CN2CCC[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000004989095 210351247 /nfs/dbraw/zinc/35/12/47/210351247.db2.gz MPWOWXODBGEVGT-QGZVFWFLSA-N 0 3 325.452 4.506 50 0 EJAAHN c1ccc(CCN2CCN(c3ccc(C4CCCC4)cc3)CC2)cc1 ZINC000004115709 135662255 /nfs/dbraw/zinc/66/22/55/135662255.db2.gz PZGUBDJZDQGKRD-UHFFFAOYSA-N 0 3 334.507 4.709 50 0 EJAAHN C[C@H](CN1CCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000000210670 563260785 /nfs/dbraw/zinc/26/07/85/563260785.db2.gz YVDOBJABOBRJAQ-MRXNPFEDSA-N 0 3 345.527 4.923 50 0 EJAAHN CC[C@]1(C)C[C@@](CCNCc2ccco2)(c2ccccc2)CCO1 ZINC000001809909 563413101 /nfs/dbraw/zinc/41/31/01/563413101.db2.gz APRDXPRFHJTFDV-RTWAWAEBSA-N 0 3 327.468 4.676 50 0 biogenic EJAAHN CC1(C)C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1 ZINC000001831180 563413780 /nfs/dbraw/zinc/41/37/80/563413780.db2.gz HFBMKKUCRLRSDJ-JOCHJYFZSA-N 0 3 341.470 4.832 50 0 EJAAHN CCCCN(Cc1ccccc1)Cc1ccc(OC)c(C)c1OC ZINC000002893931 563462391 /nfs/dbraw/zinc/46/23/91/563462391.db2.gz JKXUDHYACSIVQN-UHFFFAOYSA-N 0 3 327.468 4.815 50 0 EJAAHN c1ccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000004980245 563516551 /nfs/dbraw/zinc/51/65/51/563516551.db2.gz QJCMEAFSUJYCPC-UHFFFAOYSA-N 0 3 340.470 4.580 50 0 EJAAHN CCOCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524493 563604381 /nfs/dbraw/zinc/60/43/81/563604381.db2.gz UZCKEUQZSIIPLV-UHFFFAOYSA-N 0 3 328.239 4.770 50 0 EJAAHN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010362793 563647702 /nfs/dbraw/zinc/64/77/02/563647702.db2.gz LDTCLJPBRSFTPI-UHFFFAOYSA-N 0 3 328.843 4.578 50 0 EJAAHN CC[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012466564 563661448 /nfs/dbraw/zinc/66/14/48/563661448.db2.gz JFISWJCPUZZMNN-QGZVFWFLSA-N 0 3 328.456 4.732 50 0 EJAAHN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000015866932 563798188 /nfs/dbraw/zinc/79/81/88/563798188.db2.gz NFEPXTYBSCDGCW-OAHLLOKOSA-N 0 3 338.373 4.901 50 0 EJAAHN Cc1ccc([C@@H](C)CCN2CCN(c3cccc(C)c3C)CC2)o1 ZINC000022077662 563862212 /nfs/dbraw/zinc/86/22/12/563862212.db2.gz IYGXRHMEUZTQRP-KRWDZBQOSA-N 0 3 326.484 4.521 50 0 EJAAHN COc1cccc(CN2CCCCC[C@H]2c2cccs2)c1OC ZINC000033087259 563915161 /nfs/dbraw/zinc/91/51/61/563915161.db2.gz UNFPSEVGQWBERT-INIZCTEOSA-N 0 3 331.481 4.883 50 0 EJAAHN CN1CCC(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000071754990 563965298 /nfs/dbraw/zinc/96/52/98/563965298.db2.gz HKSYNZXHNBXXDB-UHFFFAOYSA-N 0 3 340.492 4.508 50 0 EJAAHN C[C@@H]1CN(CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000016247821 563976181 /nfs/dbraw/zinc/97/61/81/563976181.db2.gz KJVYOTNIJSFCAY-KDURUIRLSA-N 0 3 339.479 4.622 50 0 EJAAHN C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)NCc1ccco1 ZINC000005350373 564003021 /nfs/dbraw/zinc/00/30/21/564003021.db2.gz JARGVZLPOWSQTB-UTKZUKDTSA-N 0 3 327.468 4.675 50 0 EJAAHN CNc1ccc(C(F)(F)F)cc1Sc1ccccc1CN(C)C ZINC000005738160 564024736 /nfs/dbraw/zinc/02/47/36/564024736.db2.gz UVGMWBWVNDBJIP-UHFFFAOYSA-N 0 3 340.414 4.960 50 0 EJAAHN O=C(CCN(Cc1ccco1)C1CCCC1)Nc1ccccc1Cl ZINC000048299959 564030833 /nfs/dbraw/zinc/03/08/33/564030833.db2.gz XMRGSJWNIDEYAX-UHFFFAOYSA-N 0 3 346.858 4.706 50 0 EJAAHN CN(C)CCO[C@@H]1c2ccccc2CCc2ccc3ccccc3c21 ZINC000000971592 564053773 /nfs/dbraw/zinc/05/37/73/564053773.db2.gz BWDSMWZBQJYVLD-HSZRJFAPSA-N 0 3 331.459 4.606 50 0 EJAAHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676778 564062523 /nfs/dbraw/zinc/06/25/23/564062523.db2.gz YOIFKBVZIUEIIB-SGTLLEGYSA-N 0 3 346.833 4.547 50 0 EJAAHN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H](c2ccccc2)C1 ZINC000084070288 564066139 /nfs/dbraw/zinc/06/61/39/564066139.db2.gz RPHWWOWWZLDZEY-PXNSSMCTSA-N 0 3 344.458 4.656 50 0 EJAAHN C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 ZINC000075093153 564079953 /nfs/dbraw/zinc/07/99/53/564079953.db2.gz LDVDTIYGAJOHTI-MRXNPFEDSA-N 0 3 331.463 4.806 50 0 EJAAHN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000075093153 564079954 /nfs/dbraw/zinc/07/99/54/564079954.db2.gz LDVDTIYGAJOHTI-MRXNPFEDSA-N 0 3 331.463 4.806 50 0 EJAAHN C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867340 564086269 /nfs/dbraw/zinc/08/62/69/564086269.db2.gz GWNYATQURCVOGA-RBAQFSTRSA-N 0 3 347.543 4.767 50 0 biogenic EJAAHN CC[C@@H](N[C@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C ZINC000090886540 564086943 /nfs/dbraw/zinc/08/69/43/564086943.db2.gz DAVNJCKUTULPKH-BFUOFWGJSA-N 0 3 338.455 4.587 50 0 EJAAHN COc1ccc([C@@H](CCNCc2ccco2)Cc2ccccc2)cc1 ZINC000001808427 564087891 /nfs/dbraw/zinc/08/78/91/564087891.db2.gz KGMHFIBEEIRSCJ-FQEVSTJZSA-N 0 3 335.447 4.794 50 0 biogenic EJAAHN CCCOc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000001831626 564088764 /nfs/dbraw/zinc/08/87/64/564088764.db2.gz GMVQRRVCNWDLLT-OAQYLSRUSA-N 0 3 337.463 4.538 50 0 EJAAHN CCc1c(CN2CCN(c3cccc(C)c3)[C@H](C)C2)csc1C ZINC000006797733 564098065 /nfs/dbraw/zinc/09/80/65/564098065.db2.gz MMCWLAUYJWFLFH-MRXNPFEDSA-N 0 3 328.525 4.638 50 0 EJAAHN CCc1nc([C@H](C)N[C@@H]2CCC[C@@H]3OCC[C@H]32)oc1-c1ccccc1 ZINC000252538738 564120623 /nfs/dbraw/zinc/12/06/23/564120623.db2.gz NGCVTPQROISFPX-WQCNXYOZSA-N 0 3 340.467 4.512 50 0 EJAAHN c1ccc([C@H](Cc2ccccn2)NCc2cccc3cccnc32)cc1 ZINC000390834444 564138927 /nfs/dbraw/zinc/13/89/27/564138927.db2.gz YWQCHSCMHQRJKR-QFIPXVFZSA-N 0 3 339.442 4.703 50 0 EJAAHN Cc1ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1C ZINC000057463285 564154405 /nfs/dbraw/zinc/15/44/05/564154405.db2.gz BBSGRBSENAGVLN-HXUWFJFHSA-N 0 3 333.431 4.747 50 0 EJAAHN Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccccc3)c2cc1C ZINC000057481543 564154480 /nfs/dbraw/zinc/15/44/80/564154480.db2.gz QZROIFWKGVEPBX-HXUWFJFHSA-N 0 3 333.431 4.747 50 0 EJAAHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000058160715 564157855 /nfs/dbraw/zinc/15/78/55/564157855.db2.gz XKLYXBCXPBHGGD-VXGBXAGGSA-N 0 3 337.250 4.671 50 0 EJAAHN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCCCCC1 ZINC000008717965 564166856 /nfs/dbraw/zinc/16/68/56/564166856.db2.gz HNINSSULKLTUIO-UHFFFAOYSA-N 0 3 342.483 4.660 50 0 EJAAHN Cn1nccc1[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 ZINC000071808727 564175563 /nfs/dbraw/zinc/17/55/63/564175563.db2.gz WDUDFPWQJNLLKU-ZDUSSCGKSA-N 0 3 345.899 4.668 50 0 EJAAHN CCCCC(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000056284850 214368026 /nfs/dbraw/zinc/36/80/26/214368026.db2.gz IYPSDTIZQGYZCG-KRWDZBQOSA-N 0 3 338.495 4.672 50 0 EJAAHN COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000056851986 214392082 /nfs/dbraw/zinc/39/20/82/214392082.db2.gz LEASASBMIQNXAC-JKSUJKDBSA-N 0 3 348.446 4.526 50 0 EJAAHN CC(C)(NCc1ccc(OCc2cscn2)cc1)c1ccccc1 ZINC000048375446 213935160 /nfs/dbraw/zinc/93/51/60/213935160.db2.gz INRYWXYJFLQFJT-UHFFFAOYSA-N 0 3 338.476 4.747 50 0 EJAAHN c1ccc(C(CCN[C@H]2COc3ccccc32)c2ccccc2)cc1 ZINC000004072723 210113427 /nfs/dbraw/zinc/11/34/27/210113427.db2.gz NAGLGNADMULCCZ-QFIPXVFZSA-N 0 3 329.443 4.932 50 0 EJAAHN COc1ccc(CN2CCCC2)cc1Oc1ccc2ncccc2c1 ZINC000067774777 215210441 /nfs/dbraw/zinc/21/04/41/215210441.db2.gz KJNHRNYDANSGGM-UHFFFAOYSA-N 0 3 334.419 4.632 50 0 EJAAHN Cc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1C ZINC000040086371 213260164 /nfs/dbraw/zinc/26/01/64/213260164.db2.gz GKMRLKLSANBXJK-QFIPXVFZSA-N 0 3 345.490 4.715 50 0 EJAAHN c1ccc([C@@H]2CCCCN2Cc2ccc(-c3cccnc3)cc2)nc1 ZINC000072120736 216014322 /nfs/dbraw/zinc/01/43/22/216014322.db2.gz CIJYUNDZWYMQKY-QFIPXVFZSA-N 0 3 329.447 4.871 50 0 EJAAHN COc1cc(CN[C@H](C)c2cccc(Cl)c2)cc(Cl)c1OC ZINC000072670679 202364963 /nfs/dbraw/zinc/36/49/63/202364963.db2.gz LQOBCQKISBGRIP-LLVKDONJSA-N 0 3 340.250 4.861 50 0 EJAAHN C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@H](c2ccccc2)C1 ZINC000229789382 201043700 /nfs/dbraw/zinc/04/37/00/201043700.db2.gz RPHWWOWWZLDZEY-YLJYHZDGSA-N 0 3 344.458 4.656 50 0 EJAAHN Cc1cc([C@H](C)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)no1 ZINC000242178829 243011741 /nfs/dbraw/zinc/01/17/41/243011741.db2.gz XBEFWICBYROOJF-UPJWGTAASA-N 0 3 326.362 4.845 50 0 EJAAHN CCCOc1cc(Cl)c(CNCCc2ccccc2)cc1OCC ZINC000020512376 212142856 /nfs/dbraw/zinc/14/28/56/212142856.db2.gz CIRNUPCPNUNJFG-UHFFFAOYSA-N 0 3 347.886 4.860 50 0 EJAAHN Cc1cccc(N2CCN(Cc3csc4c3CCCC4)C[C@H]2C)c1 ZINC000020514301 212142338 /nfs/dbraw/zinc/14/23/38/212142338.db2.gz QMBQRZDGSHQVMY-QGZVFWFLSA-N 0 3 340.536 4.646 50 0 EJAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(C)C)cc1)NCC2 ZINC000020506924 212141190 /nfs/dbraw/zinc/14/11/90/212141190.db2.gz ZESXVLFZJSACQA-JOCHJYFZSA-N 0 3 339.479 4.843 50 0 EJAAHN c1ccc(Oc2cccc(CN3CCN(C4CCCC4)CC3)c2)cc1 ZINC000019831924 212073073 /nfs/dbraw/zinc/07/30/73/212073073.db2.gz SZVBLAGYHSTQQQ-UHFFFAOYSA-N 0 3 336.479 4.539 50 0 EJAAHN C[C@@H](CCN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000019633065 212052806 /nfs/dbraw/zinc/05/28/06/212052806.db2.gz HTIRYUDGMBVNBZ-MAIVGLDJSA-N 0 3 334.507 4.511 50 0 EJAAHN c1ccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019364675 212021130 /nfs/dbraw/zinc/02/11/30/212021130.db2.gz IGBRRSIHEGCUEN-DEOSSOPVSA-N 0 3 348.534 4.921 50 0 in-vitro EJAAHN C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000108357136 204259428 /nfs/dbraw/zinc/25/94/28/204259428.db2.gz KRGBXPSUMSLGRE-VMPBMTGNSA-N 0 3 341.520 4.715 50 0 EJAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)C(C1CC1)C1CC1 ZINC000012385259 211363555 /nfs/dbraw/zinc/36/35/55/211363555.db2.gz MKALWLAOBJAOEA-UHFFFAOYSA-N 0 3 330.859 4.924 50 0 EJAAHN OC[C@@]1(CCc2ccccc2)CCCN(Cc2cc3ccccc3o2)C1 ZINC000012076219 211286435 /nfs/dbraw/zinc/28/64/35/211286435.db2.gz MMWDSHLFUDFQGF-HSZRJFAPSA-N 0 3 349.474 4.640 50 0 EJAAHN Cc1oc(-c2cccc(F)c2F)nc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC000011773592 211246770 /nfs/dbraw/zinc/24/67/70/211246770.db2.gz KNOXYFUYBAWCLE-GJZGRUSLSA-N 0 3 346.421 4.940 50 0 EJAAHN COc1cc(C[NH2+][C@H](c2cccs2)C(C)C)cc(Cl)c1[O-] ZINC000009503235 211094013 /nfs/dbraw/zinc/09/40/13/211094013.db2.gz VEROLWJPZVKINI-HNNXBMFYSA-N 0 3 325.861 4.603 50 0 EJAAHN Cc1cc([C@H](NCc2ccc([S@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409647 218346212 /nfs/dbraw/zinc/34/62/12/218346212.db2.gz QYBANGOGCTVYKS-XMSQKQJNSA-N 0 3 335.538 4.589 50 0 EJAAHN Cc1cc([C@@H](NCc2ccc([S@@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409650 218346779 /nfs/dbraw/zinc/34/67/79/218346779.db2.gz QYBANGOGCTVYKS-AVRDEDQJSA-N 0 3 335.538 4.589 50 0 EJAAHN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095427039 218369596 /nfs/dbraw/zinc/36/95/96/218369596.db2.gz HZOYGJNXOKTADW-ABAIWWIYSA-N 0 3 336.357 4.534 50 0 EJAAHN COc1cccc2cc([C@H](C)NC[C@H](C)c3c(C)noc3C)oc21 ZINC000095988120 218494671 /nfs/dbraw/zinc/49/46/71/218494671.db2.gz IDCMKNZMXZBYAQ-RYUDHWBXSA-N 0 3 328.412 4.501 50 0 EJAAHN Fc1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000055543812 132196013 /nfs/dbraw/zinc/19/60/13/132196013.db2.gz MDMGCXBMFLIKNU-UHFFFAOYSA-N 0 3 346.449 4.815 50 0 EJAAHN CC(C)(C)c1cc(C(=O)OCCN2CCCCC2)cc(C(C)(C)C)c1 ZINC000000210672 563260799 /nfs/dbraw/zinc/26/07/99/563260799.db2.gz VQFPVZFHXSEDLN-UHFFFAOYSA-N 0 3 345.527 4.924 50 0 EJAAHN CC1=C(CCN2CCN(c3ccc(F)cc3)CC2)C(C)(C)CCC1 ZINC000000212290 563261101 /nfs/dbraw/zinc/26/11/01/563261101.db2.gz BBFPTQSGZNNEEU-UHFFFAOYSA-N 0 3 330.491 4.864 50 0 EJAAHN C[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000004980671 563517133 /nfs/dbraw/zinc/51/71/33/563517133.db2.gz ZCYQVRRSGRUGSX-INIZCTEOSA-N 0 3 348.412 4.631 50 0 EJAAHN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)o1 ZINC000005014008 563519060 /nfs/dbraw/zinc/51/90/60/563519060.db2.gz JEGSUALWYVZNRK-UHFFFAOYSA-N 0 3 343.430 4.731 50 0 EJAAHN CCOc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 ZINC000008254656 563625153 /nfs/dbraw/zinc/62/51/53/563625153.db2.gz VEZSIXMDSSFCMJ-UHFFFAOYSA-N 0 3 347.458 4.954 50 0 EJAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032851133 563762707 /nfs/dbraw/zinc/76/27/07/563762707.db2.gz DCEXNQQVSQZKPR-ZBEGNZNMSA-N 0 3 349.261 4.598 50 0 EJAAHN COc1cc(-c2ccc(C)cc2)cc2c1OCCN(CC(C)C)C2 ZINC000014994159 563771095 /nfs/dbraw/zinc/77/10/95/563771095.db2.gz RAGOODIWLMRWPZ-UHFFFAOYSA-N 0 3 325.452 4.521 50 0 EJAAHN c1nc(-c2ccccc2)sc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000015065004 563774967 /nfs/dbraw/zinc/77/49/67/563774967.db2.gz OKJPWGLDLRFEJK-IBGZPJMESA-N 0 3 349.503 4.887 50 0 EJAAHN c1nc(-c2ccccc2)sc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000015065003 563774977 /nfs/dbraw/zinc/77/49/77/563774977.db2.gz OKJPWGLDLRFEJK-LJQANCHMSA-N 0 3 349.503 4.887 50 0 EJAAHN Clc1ccc(N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019537289 563856173 /nfs/dbraw/zinc/85/61/73/563856173.db2.gz LDMLGWZGJOFCOV-UHFFFAOYSA-N 0 3 336.866 4.815 50 0 EJAAHN CCOc1ccccc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019536407 563856189 /nfs/dbraw/zinc/85/61/89/563856189.db2.gz YPOPWNSAWBPGOR-UHFFFAOYSA-N 0 3 346.474 4.561 50 0 EJAAHN Cc1cccc(N2CCN(Cc3cccc4ccccc43)CC2)c1C ZINC000019537213 563856275 /nfs/dbraw/zinc/85/62/75/563856275.db2.gz WKUGTORSHCENIM-UHFFFAOYSA-N 0 3 330.475 4.779 50 0 EJAAHN Cc1ccc([C@H](C)CCN2CCN(c3cccc(C)c3C)CC2)o1 ZINC000022077664 563862229 /nfs/dbraw/zinc/86/22/29/563862229.db2.gz IYGXRHMEUZTQRP-QGZVFWFLSA-N 0 3 326.484 4.521 50 0 EJAAHN COc1cc(CN2CCCCC[C@@H]2c2cccs2)cc(OC)c1O ZINC000033087138 563915036 /nfs/dbraw/zinc/91/50/36/563915036.db2.gz IXRNUNUKDMSAQJ-OAHLLOKOSA-N 0 3 347.480 4.588 50 0 EJAAHN COc1cc(CN(C)[C@@H]2CCc3c2cccc3F)ccc1SC ZINC000072309399 563916676 /nfs/dbraw/zinc/91/66/76/563916676.db2.gz WNFHMGXMCNUTRP-QGZVFWFLSA-N 0 3 331.456 4.676 50 0 EJAAHN COc1cc(CN(C)[C@H]2CCc3c2cccc3F)ccc1SC ZINC000072309400 563916707 /nfs/dbraw/zinc/91/67/07/563916707.db2.gz WNFHMGXMCNUTRP-KRWDZBQOSA-N 0 3 331.456 4.676 50 0 EJAAHN Cc1ccc([C@H](C)CCN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000022077676 563918441 /nfs/dbraw/zinc/91/84/41/563918441.db2.gz ADEVJISDHAEHLY-OAHLLOKOSA-N 0 3 332.875 4.557 50 0 EJAAHN Clc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004845533 563919027 /nfs/dbraw/zinc/91/90/27/563919027.db2.gz SDXZKTHYCGQFGH-UHFFFAOYSA-N 0 3 329.871 4.674 50 0 EJAAHN c1cc(-c2c(-c3ccccc3)ncn2[C@@H]2CN3CCC2CC3)cs1 ZINC000065410824 563960440 /nfs/dbraw/zinc/96/04/40/563960440.db2.gz RTLMLFNFJWSYPW-GOSISDBHSA-N 0 3 335.476 4.545 50 0 EJAAHN C[C@@H](c1cccc(-c2ccc([O-])c(-c3ccno3)c2)c1)[NH+]1CCCC1 ZINC000065429610 563960823 /nfs/dbraw/zinc/96/08/23/563960823.db2.gz QPKMTNXKOVBWRR-HNNXBMFYSA-N 0 3 334.419 4.871 50 0 EJAAHN Cc1cccc(-c2cc([C@@H]3CCN(Cc4ccco4)C3)ccn2)c1C ZINC000065435217 563960931 /nfs/dbraw/zinc/96/09/31/563960931.db2.gz WJVKPOABYFOFLV-LJQANCHMSA-N 0 3 332.447 4.948 50 0 EJAAHN CC(=O)c1cccc(-c2cc([C@H]3CCN(C/C=C/C(C)C)C3)ccn2)c1 ZINC000065464006 563961284 /nfs/dbraw/zinc/96/12/84/563961284.db2.gz JXRFWILADKGDJV-BDNZGDGKSA-N 0 3 348.490 4.953 50 0 EJAAHN COc1cccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1OC ZINC000023634014 563988152 /nfs/dbraw/zinc/98/81/52/563988152.db2.gz ASOLMBUBWZDVQY-NRFANRHFSA-N 0 3 347.458 4.777 50 0 EJAAHN Cc1cc(C)c(NC(=O)[C@@H]2CCCCN2C2CCCCC2)c(C)c1 ZINC000000186700 563996623 /nfs/dbraw/zinc/99/66/23/563996623.db2.gz KBOMNCDLICXPTM-IBGZPJMESA-N 0 3 328.500 4.738 50 0 EJAAHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000028926863 564047617 /nfs/dbraw/zinc/04/76/17/564047617.db2.gz XPBSRAAPULSJFI-LBPRGKRZSA-N 0 3 336.357 4.515 50 0 EJAAHN CCN(CC)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001011201 564054093 /nfs/dbraw/zinc/05/40/93/564054093.db2.gz VKOTVWYUJNLALJ-UHFFFAOYSA-N 0 3 342.508 4.721 50 0 EJAAHN C[C@@H]1CCCC[C@H]1OCCN1CCC(c2nc3ccccc3o2)CC1 ZINC000084691959 564069644 /nfs/dbraw/zinc/06/96/44/564069644.db2.gz LNKVEKLVCUJCFQ-VQIMIIECSA-N 0 3 342.483 4.603 50 0 EJAAHN CCCOc1ccc(CN2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015836999 564076459 /nfs/dbraw/zinc/07/64/59/564076459.db2.gz XYZDAVUBNAJSJR-NRFANRHFSA-N 0 3 325.452 4.821 50 0 EJAAHN Cc1sc([C@@H](C)NC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000168585029 564076778 /nfs/dbraw/zinc/07/67/78/564076778.db2.gz CAUVUPVMZRENHZ-LLVKDONJSA-N 0 3 336.888 4.602 50 0 EJAAHN CCCOc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000001831625 564088751 /nfs/dbraw/zinc/08/87/51/564088751.db2.gz GMVQRRVCNWDLLT-NRFANRHFSA-N 0 3 337.463 4.538 50 0 EJAAHN C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002118583 564118229 /nfs/dbraw/zinc/11/82/29/564118229.db2.gz RFBOJWYFYNPANN-OAHLLOKOSA-N 0 3 349.430 4.540 50 0 biogenic EJAAHN COc1cc(CN[C@]2(C)CCCc3ccccc32)cc(Cl)c1OC ZINC000095960010 564142683 /nfs/dbraw/zinc/14/26/83/564142683.db2.gz SGIHNULVDVHNDF-HXUWFJFHSA-N 0 3 345.870 4.699 50 0 EJAAHN CCC[C@@H](C)NCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000002647531 564151833 /nfs/dbraw/zinc/15/18/33/564151833.db2.gz PMCZMBQUUFTLEH-OAHLLOKOSA-N 0 3 328.481 4.555 50 0 EJAAHN CSc1ccc(-c2noc(CN(CC(C)C)CC(C)C)n2)cc1 ZINC000057427579 564154258 /nfs/dbraw/zinc/15/42/58/564154258.db2.gz YORXCMWUSOKIMX-UHFFFAOYSA-N 0 3 333.501 4.573 50 0 EJAAHN C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 ZINC000003476765 564158352 /nfs/dbraw/zinc/15/83/52/564158352.db2.gz AOFYTWRPMZATHC-KSFYIVLOSA-N 0 3 344.458 4.834 50 0 EJAAHN C[C@@H](NCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000058447283 564159190 /nfs/dbraw/zinc/15/91/90/564159190.db2.gz OQLDJJSYOMHANO-GOSISDBHSA-N 0 3 342.527 4.831 50 0 EJAAHN CC1(C)C[C@@](CCNCc2ccco2)(c2ccc(Cl)cc2)CCO1 ZINC000032072991 564160584 /nfs/dbraw/zinc/16/05/84/564160584.db2.gz QOIAKYBHRQRYHO-FQEVSTJZSA-N 0 3 347.886 4.940 50 0 EJAAHN CCCCc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008717224 564166709 /nfs/dbraw/zinc/16/67/09/564166709.db2.gz ODNRMWTVUNTCHN-HNNXBMFYSA-N 0 3 326.484 4.966 50 0 EJAAHN CCCCc1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000008717218 564166711 /nfs/dbraw/zinc/16/67/11/564166711.db2.gz MBLUOGFRBNNDHD-UHFFFAOYSA-N 0 3 326.484 4.967 50 0 EJAAHN CC[C@@H]1CCCCN1Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717812 564166824 /nfs/dbraw/zinc/16/68/24/564166824.db2.gz MBLHIKGDVPBSKF-CYBMUJFWSA-N 0 3 348.874 4.675 50 0 EJAAHN CCCCN(CC)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717963 564166883 /nfs/dbraw/zinc/16/68/83/564166883.db2.gz SXEPJGMGWGNMPQ-UHFFFAOYSA-N 0 3 344.499 4.906 50 0 EJAAHN CC[C@H](C)N(Cc1ccsc1)Cc1cccn1-c1cccnc1 ZINC000055244463 214294076 /nfs/dbraw/zinc/29/40/76/214294076.db2.gz ISQYJYMLDCFIMI-INIZCTEOSA-N 0 3 325.481 4.735 50 0 EJAAHN CCCCC(=O)NC1CCN([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000056284851 214367985 /nfs/dbraw/zinc/36/79/85/214367985.db2.gz IYPSDTIZQGYZCG-QGZVFWFLSA-N 0 3 338.495 4.672 50 0 EJAAHN C[C@@H]1CCC[C@@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000004546176 210219285 /nfs/dbraw/zinc/21/92/85/210219285.db2.gz SFZFJLNLICHCTF-ZYOFANERSA-N 0 3 348.490 4.756 50 0 EJAAHN Clc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315277 210167361 /nfs/dbraw/zinc/16/73/61/210167361.db2.gz MYQAQLHVWAFSPD-UHFFFAOYSA-N 0 3 325.843 4.596 50 0 EJAAHN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)C1CCCCC1 ZINC000003348168 210014685 /nfs/dbraw/zinc/01/46/85/210014685.db2.gz VIGUFBWERMJIAM-NSHDSACASA-N 0 3 329.271 4.585 50 0 EJAAHN CN(C)Cc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000067434546 215145275 /nfs/dbraw/zinc/14/52/75/215145275.db2.gz IVYHLNVOVZVQRZ-UHFFFAOYSA-N 0 3 330.737 4.608 50 0 EJAAHN COc1cc(CN2CCCC2)ccc1Oc1ccnc2ccccc21 ZINC000067755731 215203035 /nfs/dbraw/zinc/20/30/35/215203035.db2.gz APAHEPGKATVTJM-UHFFFAOYSA-N 0 3 334.419 4.632 50 0 EJAAHN CN(C[C@@H](O)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238105 202100937 /nfs/dbraw/zinc/10/09/37/202100937.db2.gz AZLVFMJMZBMGFL-YADHBBJMSA-N 0 3 335.422 4.581 50 0 EJAAHN Cc1[nH]c2ccc(C)cc2c1CCNCc1c(F)cccc1Cl ZINC000036657773 213108650 /nfs/dbraw/zinc/10/86/50/213108650.db2.gz QIGATVCAYUPAQB-UHFFFAOYSA-N 0 3 330.834 4.910 50 0 EJAAHN COc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2)c1 ZINC000036348314 213086335 /nfs/dbraw/zinc/08/63/35/213086335.db2.gz MUHBUGFRONRJMM-HSZRJFAPSA-N 0 3 346.474 4.800 50 0 EJAAHN COc1cccc([C@H]2c3cccn3CCCN2Cc2ccc(C)cc2)c1 ZINC000036348313 213086042 /nfs/dbraw/zinc/08/60/42/213086042.db2.gz MUHBUGFRONRJMM-QHCPKHFHSA-N 0 3 346.474 4.800 50 0 EJAAHN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1cccnc1 ZINC000078553908 202395620 /nfs/dbraw/zinc/39/56/20/202395620.db2.gz SNZFUDFUDCGXJO-LBPRGKRZSA-N 0 3 327.428 4.503 50 0 EJAAHN CN(C)[C@@H](CNCc1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000022925113 212336500 /nfs/dbraw/zinc/33/65/00/212336500.db2.gz YLRYMFGLIASKLR-KRWDZBQOSA-N 0 3 344.455 4.540 50 0 EJAAHN FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000071764408 203110892 /nfs/dbraw/zinc/11/08/92/203110892.db2.gz LSYSUJQVFLXZBN-QGZVFWFLSA-N 0 3 348.412 4.945 50 0 EJAAHN C[C@H](CCN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000019633069 212052631 /nfs/dbraw/zinc/05/26/31/212052631.db2.gz HTIRYUDGMBVNBZ-OGECGYFKSA-N 0 3 334.507 4.511 50 0 EJAAHN Cc1oc(-c2cc(F)ccc2F)nc1CN(C)C(C1CC1)C1CC1 ZINC000012454910 211386484 /nfs/dbraw/zinc/38/64/84/211386484.db2.gz GCWUSDGHGJWXIX-UHFFFAOYSA-N 0 3 332.394 4.549 50 0 EJAAHN COc1ccc(-c2cc(CN(C)[C@H]3CCCc4ccccc43)on2)cc1 ZINC000009579038 211104694 /nfs/dbraw/zinc/10/46/94/211104694.db2.gz BNFIZNZOVGWVTO-QFIPXVFZSA-N 0 3 348.446 4.860 50 0 EJAAHN Cc1ccsc1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420395 218360559 /nfs/dbraw/zinc/36/05/59/218360559.db2.gz KOVGTQYCOJCTMY-ZIAGYGMSSA-N 0 3 343.496 4.752 50 0 EJAAHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422538 218364971 /nfs/dbraw/zinc/36/49/71/218364971.db2.gz IUMXWCJVOKGQAQ-HOTGVXAUSA-N 0 3 340.467 4.682 50 0 EJAAHN CC1(C)C[C@]2(CCCN(CCC(=O)c3ccc(Cl)cc3)C2)CCO1 ZINC000004834826 210292203 /nfs/dbraw/zinc/29/22/03/210292203.db2.gz CBNWYLOCQPQBCR-FQEVSTJZSA-N 0 3 349.902 4.584 50 0 EJAAHN CC(C)(C)c1cc(Cl)ccc1OCCOCCN1CCCCC1 ZINC000003000985 518999141 /nfs/dbraw/zinc/99/91/41/518999141.db2.gz BKPQBPYKEOWRHJ-UHFFFAOYSA-N 0 3 339.907 4.519 50 0 EJAAHN Cc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000000240240 563264944 /nfs/dbraw/zinc/26/49/44/563264944.db2.gz AWFXCLLMEJIIMQ-UHFFFAOYSA-N 0 3 348.412 4.644 50 0 EJAAHN COc1cc(CN2CCCCCC2)ccc1OCc1ccccc1 ZINC000000277697 563271532 /nfs/dbraw/zinc/27/15/32/563271532.db2.gz KUIWZXUBBSVGAL-UHFFFAOYSA-N 0 3 325.452 4.650 50 0 EJAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000002514522 563435270 /nfs/dbraw/zinc/43/52/70/563435270.db2.gz ZDDYZBNTBMCOCX-UHFFFAOYSA-N 0 3 347.380 4.922 50 0 EJAAHN O=C(c1ccc(CN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002514578 563435570 /nfs/dbraw/zinc/43/55/70/563435570.db2.gz RYOTWJOGQUDWNE-UHFFFAOYSA-N 0 3 333.353 4.532 50 0 EJAAHN C[C@H](c1ccccc1C(O)(c1ccccc1)c1ccccc1)N(C)C ZINC000004833135 563512214 /nfs/dbraw/zinc/51/22/14/563512214.db2.gz IFQPCBJQWBPSDY-GOSISDBHSA-N 0 3 331.459 4.593 50 0 EJAAHN Clc1ccc(Cl)c(-c2ccc(CNC[C@H]3CCCO3)o2)c1 ZINC000007524484 563604413 /nfs/dbraw/zinc/60/44/13/563604413.db2.gz RKJHZYAGZPSYAU-GFCCVEGCSA-N 0 3 326.223 4.522 50 0 EJAAHN COc1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1 ZINC000007538382 563605241 /nfs/dbraw/zinc/60/52/41/563605241.db2.gz NUAQENOUMSSCDL-UHFFFAOYSA-N 0 3 333.431 4.564 50 0 EJAAHN COc1ccccc1N1CCN(CCC2=C(C)CCCC2(C)C)CC1 ZINC000012384910 563659670 /nfs/dbraw/zinc/65/96/70/563659670.db2.gz KQZBRLQJRZDRAW-UHFFFAOYSA-N 0 3 342.527 4.734 50 0 EJAAHN CCc1ccc([C@H](C)NCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000032664951 563678259 /nfs/dbraw/zinc/67/82/59/563678259.db2.gz GHGLQBQYPWCLSO-AWEZNQCLSA-N 0 3 330.859 4.500 50 0 EJAAHN Cc1oc(-c2cc(F)cc(F)c2)nc1CN(C)C(C1CC1)C1CC1 ZINC000015065811 563774988 /nfs/dbraw/zinc/77/49/88/563774988.db2.gz QLRDVGPCSBRCCO-UHFFFAOYSA-N 0 3 332.394 4.549 50 0 EJAAHN CN(C[C@@H](O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000028909252 563904487 /nfs/dbraw/zinc/90/44/87/563904487.db2.gz NIVNLPOAKGFAQT-OAQYLSRUSA-N 0 3 335.422 4.581 50 0 EJAAHN Cc1ccc2oc(=O)cc(CN(Cc3ccccc3)CC(C)C)c2c1 ZINC000033018626 563914733 /nfs/dbraw/zinc/91/47/33/563914733.db2.gz OCCGAFGOLAJNFV-UHFFFAOYSA-N 0 3 335.447 4.760 50 0 EJAAHN COc1ccc2ccccc2c1CN1CCCC[C@@H]1c1cccnc1 ZINC000022023193 563918419 /nfs/dbraw/zinc/91/84/19/563918419.db2.gz LANDPAARNHPNHM-OAQYLSRUSA-N 0 3 332.447 4.971 50 0 EJAAHN O=C1C[C@@H](C2CCN(Cc3ccccc3)CC2)Sc2ccccc21 ZINC000045302651 563929096 /nfs/dbraw/zinc/92/90/96/563929096.db2.gz XWMHOCDNGHEUMF-NRFANRHFSA-N 0 3 337.488 4.646 50 0 EJAAHN O=C(Nc1cccc(CN2CCCCC2)c1)N1CC[C@H]1c1ccccc1 ZINC000047852311 563929818 /nfs/dbraw/zinc/92/98/18/563929818.db2.gz HHLCHWCEVUYATN-NRFANRHFSA-N 0 3 349.478 4.651 50 0 EJAAHN CCc1c(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)csc1C ZINC000013809663 563934981 /nfs/dbraw/zinc/93/49/81/563934981.db2.gz MMCWLAUYJWFLFH-INIZCTEOSA-N 0 3 328.525 4.638 50 0 EJAAHN FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000071663051 563964701 /nfs/dbraw/zinc/96/47/01/563964701.db2.gz HVTLTIQKGUCHSF-INIZCTEOSA-N 0 3 348.412 4.945 50 0 EJAAHN CCN(CC)CCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000005163575 563996539 /nfs/dbraw/zinc/99/65/39/563996539.db2.gz QFBPHJHAGYBOLY-UHFFFAOYSA-N 0 3 341.524 4.500 50 0 EJAAHN Cc1cccc([C@@H](NCc2cnc3nc(C)cc(C)n23)C(C)(C)C)c1 ZINC000157443246 564010837 /nfs/dbraw/zinc/01/08/37/564010837.db2.gz AZPOUILNWFKQCX-LJQANCHMSA-N 0 3 336.483 4.532 50 0 EJAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000000556310 564023152 /nfs/dbraw/zinc/02/31/52/564023152.db2.gz UUPKCTRRHUYUKK-UHFFFAOYSA-N 0 3 328.843 4.578 50 0 EJAAHN COc1cc(CN[C@@H]2CCCc3ccccc32)cc(Cl)c1OC ZINC000025259757 564036885 /nfs/dbraw/zinc/03/68/85/564036885.db2.gz UISAOLGCWGGSGX-QGZVFWFLSA-N 0 3 331.843 4.524 50 0 EJAAHN C[C@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000084651805 564069406 /nfs/dbraw/zinc/06/94/06/564069406.db2.gz KKPYVDDNQMKFQP-MRXNPFEDSA-N 0 3 344.458 4.664 50 0 EJAAHN O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCC2)cc1 ZINC000010433880 564070840 /nfs/dbraw/zinc/07/08/40/564070840.db2.gz AJXGTKMRNKVYDU-UHFFFAOYSA-N 0 3 348.368 4.554 50 0 EJAAHN CCN(CC)CCOC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002171516 564076072 /nfs/dbraw/zinc/07/60/72/564076072.db2.gz XQHUZALYYSWNNH-UHFFFAOYSA-N 0 3 339.650 4.537 50 0 EJAAHN OCC[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000043215038 564076215 /nfs/dbraw/zinc/07/62/15/564076215.db2.gz CNCMDTWAHPBVCK-QHCPKHFHSA-N 0 3 331.459 4.813 50 0 EJAAHN Cc1ccsc1CN(CCCC(F)(F)F)Cc1ccccn1 ZINC000063846531 564081848 /nfs/dbraw/zinc/08/18/48/564081848.db2.gz FQTDIEJBKFOZMQ-UHFFFAOYSA-N 0 3 328.403 4.796 50 0 EJAAHN CC1(C)C[C@H]([C@@H](CCNCc2ccco2)Cc2ccccc2)CCO1 ZINC000001817952 564088733 /nfs/dbraw/zinc/08/87/33/564088733.db2.gz VGFDASKIEQFNNO-VQTJNVASSA-N 0 3 341.495 4.823 50 0 biogenic EJAAHN c1csc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1 ZINC000006784915 564097725 /nfs/dbraw/zinc/09/77/25/564097725.db2.gz IQUUSXDXQLCVMD-UHFFFAOYSA-N 0 3 345.471 4.891 50 0 EJAAHN CCc1c(CN2CCN(c3cc(C)ccc3C)CC2)csc1C ZINC000006797730 564098082 /nfs/dbraw/zinc/09/80/82/564098082.db2.gz YSNYAFDGYOKURA-UHFFFAOYSA-N 0 3 328.525 4.558 50 0 EJAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000036391781 564100557 /nfs/dbraw/zinc/10/05/57/564100557.db2.gz YQALGFOCQNRMPF-UHFFFAOYSA-N 0 3 349.261 4.842 50 0 EJAAHN C[C@@H]1C[C@H](c2cccnc2)N(CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601619 564109388 /nfs/dbraw/zinc/10/93/88/564109388.db2.gz ZTABQPHCXYVLSJ-AUUYWEPGSA-N 0 3 340.854 4.594 50 0 EJAAHN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000089904900 564115033 /nfs/dbraw/zinc/11/50/33/564115033.db2.gz AUECQLRHFAMZEW-NOQKTNJKSA-N 0 3 347.911 4.879 50 0 EJAAHN C[C@@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556109 564135278 /nfs/dbraw/zinc/13/52/78/564135278.db2.gz GWNYATQURCVOGA-RDPOXOKHSA-N 0 3 347.543 4.767 50 0 biogenic EJAAHN CC[N@H+](Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1)C(C)C ZINC000095939004 564141919 /nfs/dbraw/zinc/14/19/19/564141919.db2.gz GBKYZHAUTFOJCY-UHFFFAOYSA-N 0 3 346.858 4.528 50 0 EJAAHN CC[N@@H+](Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1)C(C)C ZINC000095939004 564141920 /nfs/dbraw/zinc/14/19/20/564141920.db2.gz GBKYZHAUTFOJCY-UHFFFAOYSA-N 0 3 346.858 4.528 50 0 EJAAHN C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095946716 564142251 /nfs/dbraw/zinc/14/22/51/564142251.db2.gz UOCLZCIQOCUTEB-APPDUMDISA-N 0 3 349.261 4.598 50 0 EJAAHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000095967167 564143009 /nfs/dbraw/zinc/14/30/09/564143009.db2.gz KRGBXPSUMSLGRE-CCHLGUQTSA-N 0 3 341.520 4.715 50 0 EJAAHN Cc1ccsc1[C@H](C)NCc1cccc(COC2CCOCC2)c1 ZINC000095967914 564143074 /nfs/dbraw/zinc/14/30/74/564143074.db2.gz BJDJPGCYRQRERD-INIZCTEOSA-N 0 3 345.508 4.603 50 0 EJAAHN COc1ccc([C@H](C)N[C@H](C)c2cc(C)sc2C)cc1NC(C)=O ZINC000096476493 564148429 /nfs/dbraw/zinc/14/84/29/564148429.db2.gz GNXZAMQTLRWCFV-QWHCGFSZSA-N 0 3 346.496 4.744 50 0 EJAAHN CCc1ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000057531669 564154828 /nfs/dbraw/zinc/15/48/28/564154828.db2.gz LEQNXKZEOMOQKJ-HXUWFJFHSA-N 0 3 333.431 4.693 50 0 EJAAHN CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CCCCC1 ZINC000058165801 564157905 /nfs/dbraw/zinc/15/79/05/564157905.db2.gz XKUDNSUBTMRNDU-FQEVSTJZSA-N 0 3 340.442 4.770 50 0 EJAAHN Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN1CCCC1 ZINC000008572523 564165757 /nfs/dbraw/zinc/16/57/57/564165757.db2.gz FQMKRNNCUWLCFS-UHFFFAOYSA-N 0 3 334.419 4.637 50 0 EJAAHN Cc1cccc(NC(=O)NC[C@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010330498 564175281 /nfs/dbraw/zinc/17/52/81/564175281.db2.gz XFKBSQSMIOIFRE-OAQYLSRUSA-N 0 3 347.462 4.573 50 0 EJAAHN COc1ccccc1CN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000539818840 564177653 /nfs/dbraw/zinc/17/76/53/564177653.db2.gz BKAZWKKKKCYERE-INIZCTEOSA-N 0 3 330.497 4.655 50 0 EJAAHN CCCCCCOc1ccccc1NC(=O)OC[C@H]1CCCCN1C ZINC000004566635 210221967 /nfs/dbraw/zinc/22/19/67/210221967.db2.gz BETFOLQBMHYFBR-QGZVFWFLSA-N 0 3 348.487 4.679 50 0 EJAAHN C[C@@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000004005769 210098283 /nfs/dbraw/zinc/09/82/83/210098283.db2.gz GWNYATQURCVOGA-BOFXEDATSA-N 0 3 347.543 4.767 50 0 biogenic EJAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000002514517 209860872 /nfs/dbraw/zinc/86/08/72/209860872.db2.gz MUAZJIUMBOIQAQ-UHFFFAOYSA-N 0 3 331.818 4.696 50 0 EJAAHN CC(C)Cc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000023231369 202100244 /nfs/dbraw/zinc/10/02/44/202100244.db2.gz RWMZTJPKYORNEA-MRXNPFEDSA-N 0 3 331.891 4.641 50 0 EJAAHN Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000036031637 213056259 /nfs/dbraw/zinc/05/62/59/213056259.db2.gz HAIRCBXPJLYHGO-HSZRJFAPSA-N 0 3 331.459 4.731 50 0 EJAAHN Clc1ccc([C@@H](OCCN2CCCCC2)c2ccccc2)cc1 ZINC000000057251 209392905 /nfs/dbraw/zinc/39/29/05/209392905.db2.gz FLNXBVJLPJNOSI-FQEVSTJZSA-N 0 3 329.871 4.932 50 0 world EJAAHN c1cc([C@H]2CCCCO2)sc1CN1CCC(c2ccncc2)CC1 ZINC000072428463 216219340 /nfs/dbraw/zinc/21/93/40/216219340.db2.gz KWZNPPKAQQTKME-LJQANCHMSA-N 0 3 342.508 4.764 50 0 EJAAHN Cc1cnc(NC(=O)c2ccc([C@@H]3CCCN3CC(C)C)s2)s1 ZINC000023379608 212373133 /nfs/dbraw/zinc/37/31/33/212373133.db2.gz TYAFQDLNKKJACB-ZDUSSCGKSA-N 0 3 349.525 4.558 50 0 EJAAHN COc1ccc(CC[C@@H](C)NCc2ccccc2Br)cc1 ZINC000023280221 212366533 /nfs/dbraw/zinc/36/65/33/212366533.db2.gz HORALTXJBPFJMB-CQSZACIVSA-N 0 3 348.284 4.569 50 0 EJAAHN Clc1ccccc1CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000022852722 212328678 /nfs/dbraw/zinc/32/86/78/212328678.db2.gz LJCOSZWKFZCOAV-OAHLLOKOSA-N 0 3 325.843 4.596 50 0 EJAAHN CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 ZINC000022199641 212282152 /nfs/dbraw/zinc/28/21/52/212282152.db2.gz ZBMRNWBYZIDQCY-UHFFFAOYSA-N 0 3 343.279 4.516 50 0 EJAAHN c1nc(N2CCCC2)sc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000215410861 241125265 /nfs/dbraw/zinc/12/52/65/241125265.db2.gz MOZVVQIKFOCBHN-GOSISDBHSA-N 0 3 341.524 4.513 50 0 EJAAHN Cc1cc(Cl)cc(Cl)c1OCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020167451 212108699 /nfs/dbraw/zinc/10/86/99/212108699.db2.gz IHHCNZDGHQJZAX-ZIAGYGMSSA-N 0 3 346.298 4.570 50 0 EJAAHN CN(C)CCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000019636558 212053664 /nfs/dbraw/zinc/05/36/64/212053664.db2.gz WAGXZLCRUSCTIW-UHFFFAOYSA-N 0 3 337.294 4.557 50 0 EJAAHN c1ccc(N2CCN(Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019313340 212014313 /nfs/dbraw/zinc/01/43/13/212014313.db2.gz AMOVYNJAYJMSNB-UHFFFAOYSA-N 0 3 341.458 4.574 50 0 EJAAHN CSc1cccc(CNCc2c[nH]nc2-c2ccc(C)c(C)c2)c1 ZINC000012305478 211340090 /nfs/dbraw/zinc/34/00/90/211340090.db2.gz VZDHHUFIAPCAMS-UHFFFAOYSA-N 0 3 337.492 4.705 50 0 EJAAHN CC(C)=CCN1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000011912260 211267925 /nfs/dbraw/zinc/26/79/25/211267925.db2.gz KUTXTNKUJILMOZ-AWEZNQCLSA-N 0 3 331.410 4.501 50 0 EJAAHN CC(C)=CC[C@@]1(CO)CCCN(Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC000091534936 218017973 /nfs/dbraw/zinc/01/79/73/218017973.db2.gz VFIVNUFVUBOTNW-NRFANRHFSA-N 0 3 344.474 4.546 50 0 EJAAHN Cc1ccc2c(CN(Cc3ccccc3)C(C)C)cc(=O)oc2c1C ZINC000010929947 211195942 /nfs/dbraw/zinc/19/59/42/211195942.db2.gz RGBABLLOHILJKJ-UHFFFAOYSA-N 0 3 335.447 4.820 50 0 EJAAHN CCc1cccc2c(=O)c(CN(CC)Cc3ccccc3)c(C)[nH]c12 ZINC000008926973 211019885 /nfs/dbraw/zinc/01/98/85/211019885.db2.gz NYCGFWPKWIWKNK-UHFFFAOYSA-N 0 3 334.463 4.833 50 0 EJAAHN CC[C@H](N[C@H](C)c1ccc(Br)s1)c1ccncc1 ZINC000095423136 218365151 /nfs/dbraw/zinc/36/51/51/218365151.db2.gz ZGNREPSBZXWIQI-PWSUYJOCSA-N 0 3 325.275 4.708 50 0 EJAAHN Cc1cc2c(cc1C)N1CCCN=C1N2Cc1ccc(Cl)cc1 ZINC000005043425 210373636 /nfs/dbraw/zinc/37/36/36/210373636.db2.gz RYHDJWCZARFFAF-UHFFFAOYSA-N 0 3 325.843 4.543 50 0 EJAAHN COc1ccc(CN2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000004982694 210347624 /nfs/dbraw/zinc/34/76/24/210347624.db2.gz NAHNPQKHHDCWMN-NRFANRHFSA-N 0 3 332.447 4.971 50 0 EJAAHN CN(C)Cc1ccccc1Sc1ccc(Br)s1 ZINC000000346606 563287671 /nfs/dbraw/zinc/28/76/71/563287671.db2.gz WTNGDPKBAHYYGR-UHFFFAOYSA-N 0 3 328.300 4.723 50 0 EJAAHN c1ccc(C(CCN[C@@H]2COc3ccccc32)c2ccccc2)cc1 ZINC000004072722 563493530 /nfs/dbraw/zinc/49/35/30/563493530.db2.gz NAGLGNADMULCCZ-JOCHJYFZSA-N 0 3 329.443 4.932 50 0 EJAAHN Cc1cc2c(cc1C)N1CCCN=C1N2Cc1ccccc1Cl ZINC000005043460 563519868 /nfs/dbraw/zinc/51/98/68/563519868.db2.gz YBJMPZALLZZPKJ-UHFFFAOYSA-N 0 3 325.843 4.543 50 0 EJAAHN CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008253986 563624666 /nfs/dbraw/zinc/62/46/66/563624666.db2.gz UHZAVJTVSSKQHU-UHFFFAOYSA-N 0 3 349.833 4.709 50 0 EJAAHN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCC(C)CC1 ZINC000008717970 563637384 /nfs/dbraw/zinc/63/73/84/563637384.db2.gz XGOFSKTVJROTAW-UHFFFAOYSA-N 0 3 342.483 4.516 50 0 EJAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032851132 563762680 /nfs/dbraw/zinc/76/26/80/563762680.db2.gz DCEXNQQVSQZKPR-BZNIZROVSA-N 0 3 349.261 4.598 50 0 EJAAHN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000014951013 563767565 /nfs/dbraw/zinc/76/75/65/563767565.db2.gz CEIGJLJPZNTIDK-OAHLLOKOSA-N 0 3 338.476 4.633 50 0 EJAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2Sc1ccc(Cl)cc1 ZINC000015906460 563799710 /nfs/dbraw/zinc/79/97/10/563799710.db2.gz MXEIBCYOSABGBK-PKOBYXMFSA-N 0 3 344.911 4.963 50 0 EJAAHN CCCCc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000017071742 563834952 /nfs/dbraw/zinc/83/49/52/563834952.db2.gz ZLVTYLZCAZPYMU-UHFFFAOYSA-N 0 3 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Cc1ccc(C(=O)Nc2cccc(CNCc3ccccc3)c2)cc1 ZINC000014137403 563744330 /nfs/dbraw/zinc/74/43/30/563744330.db2.gz PHNONXOZZLZRTI-UHFFFAOYSA-N 0 3 330.431 4.537 50 0 EJAAHN CCOC(=O)c1oc2ccc(Cl)cc2c1CNC1CCCCC1 ZINC000015017502 563772992 /nfs/dbraw/zinc/77/29/92/563772992.db2.gz QRTKOYYZLTVKGG-UHFFFAOYSA-N 0 3 335.831 4.685 50 0 EJAAHN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000015866931 563798325 /nfs/dbraw/zinc/79/83/25/563798325.db2.gz NFEPXTYBSCDGCW-HNNXBMFYSA-N 0 3 338.373 4.901 50 0 EJAAHN CN(Cc1ccccc1N1CCCCC1)Cc1cccc2cccnc21 ZINC000025182882 563881968 /nfs/dbraw/zinc/88/19/68/563881968.db2.gz JOZRUYQRXHBJRN-UHFFFAOYSA-N 0 3 345.490 4.857 50 0 EJAAHN COc1ccc(Br)cc1CN[C@@H]1CCCc2ccccc21 ZINC000002899469 563906278 /nfs/dbraw/zinc/90/62/78/563906278.db2.gz SZJOBSMKAIURNV-QGZVFWFLSA-N 0 3 346.268 4.625 50 0 EJAAHN Cc1ccc([C@@H](C)CCN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000022077673 563918404 /nfs/dbraw/zinc/91/84/04/563918404.db2.gz ADEVJISDHAEHLY-HNNXBMFYSA-N 0 3 332.875 4.557 50 0 EJAAHN O=c1c(CN2CCC[C@H]3CCCC[C@H]32)coc2ccc(Cl)cc21 ZINC000230136201 563919704 /nfs/dbraw/zinc/91/97/04/563919704.db2.gz UGFOCSQYKWFHRV-CXAGYDPISA-N 0 3 331.843 4.601 50 0 EJAAHN Fc1ccc2c(c1)[C@@H](N1CCC(c3nc4ccccc4o3)CC1)CC2 ZINC000072313263 563929441 /nfs/dbraw/zinc/92/94/41/563929441.db2.gz MPPBSVSCJCLITN-IBGZPJMESA-N 0 3 336.410 4.834 50 0 EJAAHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000058216852 563940124 /nfs/dbraw/zinc/94/01/24/563940124.db2.gz VGQPXYMLBBCQIK-LBPRGKRZSA-N 0 3 336.357 4.515 50 0 EJAAHN CCOc1ccc2nc(C)cc(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000000071869 563974416 /nfs/dbraw/zinc/97/44/16/563974416.db2.gz VDUGHUHRIQDYQK-UHFFFAOYSA-N 0 3 338.407 4.703 50 0 EJAAHN CCOC(=O)c1cccc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000000429783 563999102 /nfs/dbraw/zinc/99/91/02/563999102.db2.gz QSHFWHLHZGLAHR-UHFFFAOYSA-N 0 3 332.403 4.644 50 0 EJAAHN COc1ccc([C@@H](CCNCc2ccco2)c2ccc(F)cc2)cc1 ZINC000005478144 564004509 /nfs/dbraw/zinc/00/45/09/564004509.db2.gz LNTUBGPCAUYINL-NRFANRHFSA-N 0 3 339.410 4.739 50 0 EJAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2Sc1ccc(Cl)cc1 ZINC000005525564 564004994 /nfs/dbraw/zinc/00/49/94/564004994.db2.gz MXEIBCYOSABGBK-MJGOQNOKSA-N 0 3 344.911 4.963 50 0 EJAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000000514974 564020446 /nfs/dbraw/zinc/02/04/46/564020446.db2.gz FFWIRURMADEJEZ-UHFFFAOYSA-N 0 3 334.419 4.671 50 0 EJAAHN Cc1ccc(-c2nc(CN3CCC[C@H]3Cc3ccccc3)co2)cc1 ZINC000048339854 564031218 /nfs/dbraw/zinc/03/12/18/564031218.db2.gz CALUVDRRVGCHQW-NRFANRHFSA-N 0 3 332.447 4.857 50 0 EJAAHN CCCC(=O)Nc1ccc(CNCc2ccc(OC(C)C)cc2)cc1 ZINC000048714155 564032093 /nfs/dbraw/zinc/03/20/93/564032093.db2.gz VMTHNLJVFZDJML-UHFFFAOYSA-N 0 3 340.467 4.502 50 0 EJAAHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000028926862 564047629 /nfs/dbraw/zinc/04/76/29/564047629.db2.gz XPBSRAAPULSJFI-GFCCVEGCSA-N 0 3 336.357 4.515 50 0 EJAAHN CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H](C)C1 ZINC000004026387 564061171 /nfs/dbraw/zinc/06/11/71/564061171.db2.gz XIHJFMFAIYGPCL-JKLQHZFJSA-N 0 3 347.543 4.933 50 0 biogenic EJAAHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676807 564062574 /nfs/dbraw/zinc/06/25/74/564062574.db2.gz YOIFKBVZIUEIIB-KZULUSFZSA-N 0 3 346.833 4.547 50 0 EJAAHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754286 564067160 /nfs/dbraw/zinc/06/71/60/564067160.db2.gz LSMFEVRVLVSGJC-JKSUJKDBSA-N 0 3 348.446 4.526 50 0 EJAAHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000012869689 564075985 /nfs/dbraw/zinc/07/59/85/564075985.db2.gz LWWFAARRZYXROW-CABCVRRESA-N 0 3 336.410 4.657 50 0 EJAAHN O=C(CCN1CC[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000001176787 564083085 /nfs/dbraw/zinc/08/30/85/564083085.db2.gz ATIWHAUCBKCFSB-JOCHJYFZSA-N 0 3 329.443 4.902 50 0 EJAAHN C[C@H](NCC(C)(C)c1ccccc1Br)c1nccs1 ZINC000090590774 564084815 /nfs/dbraw/zinc/08/48/15/564084815.db2.gz NDFQBNIOFKLGCM-NSHDSACASA-N 0 3 339.302 4.534 50 0 EJAAHN COc1ccc2c(c1)c(CN(C)C)c(CSc1ccccc1)n2C ZINC000006534017 564091649 /nfs/dbraw/zinc/09/16/49/564091649.db2.gz KDUPUSOTVXNETN-UHFFFAOYSA-N 0 3 340.492 4.541 50 0 EJAAHN Cc1ccc2c(CN[C@@H]3CCCc4ccccc43)cc(=O)oc2c1C ZINC000006788263 564097809 /nfs/dbraw/zinc/09/78/09/564097809.db2.gz JMQOLSOXOYNVQR-HXUWFJFHSA-N 0 3 333.431 4.577 50 0 EJAAHN C[C@H]1C[C@@H](c2cccnc2)N(CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601622 564109361 /nfs/dbraw/zinc/10/93/61/564109361.db2.gz ZTABQPHCXYVLSJ-LIRRHRJNSA-N 0 3 340.854 4.594 50 0 EJAAHN c1[nH]c2ccccc2c1C1=CCN(CCCOc2ccccc2)CC1 ZINC000089845785 564114232 /nfs/dbraw/zinc/11/42/32/564114232.db2.gz LJQHFJMSLYVFQG-UHFFFAOYSA-N 0 3 332.447 4.726 50 0 EJAAHN O=c1cc(CN2CCCCCC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000002121978 564118416 /nfs/dbraw/zinc/11/84/16/564118416.db2.gz IYFDPSFCUXUCPH-UHFFFAOYSA-N 0 3 349.430 4.542 50 0 biogenic EJAAHN C[C@H](N[C@H]1CCCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000195540630 564123645 /nfs/dbraw/zinc/12/36/45/564123645.db2.gz JCBDULRIUOTXOK-RWAHWCJQSA-N 0 3 327.493 4.542 50 0 EJAAHN c1ccc([C@@H](Cc2ccccn2)NCc2cccc3cccnc32)cc1 ZINC000390834443 564138933 /nfs/dbraw/zinc/13/89/33/564138933.db2.gz YWQCHSCMHQRJKR-JOCHJYFZSA-N 0 3 339.442 4.703 50 0 EJAAHN CCn1nc(C)c(CN[C@H](c2ccccc2)C2CCCCC2)c1C ZINC000095462802 564140885 /nfs/dbraw/zinc/14/08/85/564140885.db2.gz BWSAAMQILRHRTR-OAQYLSRUSA-N 0 3 325.500 4.931 50 0 EJAAHN Fc1ccc([C@H]2CCC[C@@H]2NCc2ncc(-c3cccs3)o2)cc1 ZINC000095941411 564142057 /nfs/dbraw/zinc/14/20/57/564142057.db2.gz WDOMUAALMGFFED-CVEARBPZSA-N 0 3 342.439 4.968 50 0 EJAAHN FC(F)(F)c1ccccc1CNCc1ccccc1N1CCCCC1 ZINC000095956809 564142534 /nfs/dbraw/zinc/14/25/34/564142534.db2.gz AKEDUSAKKXWZJB-UHFFFAOYSA-N 0 3 348.412 4.986 50 0 EJAAHN COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000057315514 564153584 /nfs/dbraw/zinc/15/35/84/564153584.db2.gz MEECJANBIBTQKO-HZPDHXFCSA-N 0 3 348.446 4.526 50 0 EJAAHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000058160712 564157871 /nfs/dbraw/zinc/15/78/71/564157871.db2.gz XKLYXBCXPBHGGD-RYUDHWBXSA-N 0 3 337.250 4.671 50 0 EJAAHN CC(C)CC[C@H](CCNCc1ccccn1)c1ccc2c(c1)OCO2 ZINC000008658311 564166240 /nfs/dbraw/zinc/16/62/40/564166240.db2.gz FBTLVNVALYBICY-QGZVFWFLSA-N 0 3 340.467 4.510 50 0 EJAAHN CC(C)CC[C@@H](CCNCc1ccccn1)c1ccc2c(c1)OCO2 ZINC000008658308 564166252 /nfs/dbraw/zinc/16/62/52/564166252.db2.gz FBTLVNVALYBICY-KRWDZBQOSA-N 0 3 340.467 4.510 50 0 EJAAHN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCCC[C@H]1C ZINC000008717497 564166809 /nfs/dbraw/zinc/16/68/09/564166809.db2.gz IUGCVVCGSXFFNP-OAHLLOKOSA-N 0 3 342.483 4.658 50 0 EJAAHN C[C@H]1[C@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCC[C@@H]1C ZINC000004546178 210219507 /nfs/dbraw/zinc/21/95/07/210219507.db2.gz SFZFJLNLICHCTF-DVRVPYBTSA-N 0 3 348.490 4.756 50 0 EJAAHN Clc1ccc(-c2nc3ccccn3c2CN2CCCCC2)cc1 ZINC000004002877 210098913 /nfs/dbraw/zinc/09/89/13/210098913.db2.gz IRPLZCJSJQNZNK-UHFFFAOYSA-N 0 3 325.843 4.641 50 0 EJAAHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCCCC2)cc1 ZINC000003354456 210016846 /nfs/dbraw/zinc/01/68/46/210016846.db2.gz HPZLTLBIDNOKFX-NRFANRHFSA-N 0 3 336.479 4.941 50 0 EJAAHN CCN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C)c1ccccc1C ZINC000040155741 213274532 /nfs/dbraw/zinc/27/45/32/213274532.db2.gz DBBUSWYGLFTDGJ-OAQYLSRUSA-N 0 3 338.495 4.725 50 0 EJAAHN Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000020994161 202060321 /nfs/dbraw/zinc/06/03/21/202060321.db2.gz SXCUCEWFAPODFM-GOSISDBHSA-N 0 3 335.451 4.666 50 0 EJAAHN COc1ccc(CN2CCCCC[C@@H]2c2cccc(C)c2)cc1O ZINC000033087146 202249954 /nfs/dbraw/zinc/24/99/54/202249954.db2.gz GCSYLBGRXRCXQY-LJQANCHMSA-N 0 3 325.452 4.827 50 0 EJAAHN C[C@H](NCc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000071816968 215846288 /nfs/dbraw/zinc/84/62/88/215846288.db2.gz REYNKNUNNJSNCU-KRWDZBQOSA-N 0 3 345.442 4.976 50 0 EJAAHN CCCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000072314847 216148260 /nfs/dbraw/zinc/14/82/60/216148260.db2.gz UQQSCVHTFHOLHM-IBGZPJMESA-N 0 3 331.481 4.513 50 0 EJAAHN CC(C)Cc1c[nH]nc1[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000023231372 212361866 /nfs/dbraw/zinc/36/18/66/212361866.db2.gz RWMZTJPKYORNEA-INIZCTEOSA-N 0 3 331.891 4.641 50 0 EJAAHN CN(C)[C@H](CNCc1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000022925117 212335683 /nfs/dbraw/zinc/33/56/83/212335683.db2.gz YLRYMFGLIASKLR-QGZVFWFLSA-N 0 3 344.455 4.540 50 0 EJAAHN CCOc1cccc(CN2CCC(Cc3ccc(OC)cc3)CC2)c1 ZINC000022329571 212290998 /nfs/dbraw/zinc/29/09/98/212290998.db2.gz ADLSAOFVKLTXPL-UHFFFAOYSA-N 0 3 339.479 4.549 50 0 EJAAHN Clc1cccc(Cl)c1CNC1CCN(Cc2ccccc2)CC1 ZINC000020477316 212136137 /nfs/dbraw/zinc/13/61/37/212136137.db2.gz VKNSWCBHBWLFSV-UHFFFAOYSA-N 0 3 349.305 4.748 50 0 EJAAHN CNCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC000104406544 204107409 /nfs/dbraw/zinc/10/74/09/204107409.db2.gz ZPIZNXPPBACSAU-UHFFFAOYSA-N 0 3 344.611 4.753 50 0 EJAAHN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000019229262 212007847 /nfs/dbraw/zinc/00/78/47/212007847.db2.gz HOALIXAEBHDZBJ-QGZVFWFLSA-N 0 3 337.492 4.826 50 0 EJAAHN CC(C)[C@H]1C[C@](CCNCc2ccco2)(Cc2ccccc2)CCO1 ZINC000009047508 211034444 /nfs/dbraw/zinc/03/44/44/211034444.db2.gz FTYLBMAHZDXPAM-YADHBBJMSA-N 0 3 341.495 4.823 50 0 EJAAHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 ZINC000095419577 218359425 /nfs/dbraw/zinc/35/94/25/218359425.db2.gz FOVCMWAWYAXQCN-AOMKIAJQSA-N 0 3 337.463 4.583 50 0 EJAAHN CC[C@@H](NCc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 ZINC000095420644 218362270 /nfs/dbraw/zinc/36/22/70/218362270.db2.gz BJRKZYCNUHYXPC-MRXNPFEDSA-N 0 3 331.485 4.519 50 0 EJAAHN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422540 218365081 /nfs/dbraw/zinc/36/50/81/218365081.db2.gz IUMXWCJVOKGQAQ-CVEARBPZSA-N 0 3 340.467 4.682 50 0 EJAAHN COc1ccc(CN(C)Cc2cccc3ccccc32)c(OC)c1C ZINC000004985556 210350204 /nfs/dbraw/zinc/35/02/04/210350204.db2.gz KRJFIDDIAYZNLF-UHFFFAOYSA-N 0 3 335.447 4.797 50 0 EJAAHN C[C@@H](c1ccccc1C(O)(c1ccccc1)c1ccccc1)N(C)C ZINC000004833134 210292520 /nfs/dbraw/zinc/29/25/20/210292520.db2.gz IFQPCBJQWBPSDY-SFHVURJKSA-N 0 3 331.459 4.593 50 0 EJAAHN CCc1c(CN2CCN(c3cccc(C)c3C)CC2)csc1C ZINC000006797728 135676566 /nfs/dbraw/zinc/67/65/66/135676566.db2.gz MUXXNOOBECTQPY-UHFFFAOYSA-N 0 3 328.525 4.558 50 0 EJAAHN C[C@@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000000219001 563262229 /nfs/dbraw/zinc/26/22/29/563262229.db2.gz SVDYYWQMNYSZKC-KRWDZBQOSA-N 0 3 328.887 4.656 50 0 EJAAHN CSc1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000002514503 563435205 /nfs/dbraw/zinc/43/52/05/563435205.db2.gz YXLWYKJKSWEDDS-UHFFFAOYSA-N 0 3 325.477 4.625 50 0 EJAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000002514526 563435259 /nfs/dbraw/zinc/43/52/59/563435259.db2.gz LSZCQGVMRPYPKP-UHFFFAOYSA-N 0 3 331.818 4.696 50 0 EJAAHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCC(C)C ZINC000002863730 563457638 /nfs/dbraw/zinc/45/76/38/563457638.db2.gz RYZWVKQXCBSJIL-KRWDZBQOSA-N 0 3 327.468 4.971 50 0 EJAAHN C[C@H](NCC1(c2ccccc2)CCCC1)c1nnc(-c2ccccc2)o1 ZINC000025898274 563888977 /nfs/dbraw/zinc/88/89/77/563888977.db2.gz WZJWIVXSBHYXNS-KRWDZBQOSA-N 0 3 347.462 4.899 50 0 EJAAHN CC1(C)Cc2nc3ccccc3c(NCc3ccccc3)c2[C@@H](O)C1 ZINC000000190485 563917039 /nfs/dbraw/zinc/91/70/39/563917039.db2.gz SZXBXNVDYMXTKW-IBGZPJMESA-N 0 3 332.447 4.853 50 0 EJAAHN COc1ccc(/C=C/C2=CCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000000283421 563917252 /nfs/dbraw/zinc/91/72/52/563917252.db2.gz NBQRFXCCXHXRCS-ONEGZZNKSA-N 0 3 335.447 4.549 50 0 EJAAHN Cc1ccc([C@@H](C)CCN2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000022077765 563918427 /nfs/dbraw/zinc/91/84/27/563918427.db2.gz VYANVQBLQKPKDN-SFHVURJKSA-N 0 3 326.484 4.521 50 0 EJAAHN COc1ccc(CN2CCC[C@H](C)C2)cc1OCc1ccccc1 ZINC000023282064 563919380 /nfs/dbraw/zinc/91/93/80/563919380.db2.gz VFFPPSBRWWWNFP-KRWDZBQOSA-N 0 3 325.452 4.506 50 0 EJAAHN C/C(=C\c1ccco1)CN1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065376230 563958891 /nfs/dbraw/zinc/95/88/91/563958891.db2.gz NTNKEVPUJMRNGE-NXNYUAIASA-N 0 3 345.446 4.629 50 0 EJAAHN c1cc(-c2c(-c3ccccc3)ncn2[C@H]2CN3CCC2CC3)cs1 ZINC000065410825 563960397 /nfs/dbraw/zinc/96/03/97/563960397.db2.gz RTLMLFNFJWSYPW-SFHVURJKSA-N 0 3 335.476 4.545 50 0 EJAAHN Cc1cccc(-c2cc([C@H]3CCN(Cc4ccco4)C3)ccn2)c1C ZINC000065435219 563960912 /nfs/dbraw/zinc/96/09/12/563960912.db2.gz WJVKPOABYFOFLV-IBGZPJMESA-N 0 3 332.447 4.948 50 0 EJAAHN COc1cc(CN[C@@H](C)c2cccc(Cl)c2)cc(Cl)c1OC ZINC000060830550 563974960 /nfs/dbraw/zinc/97/49/60/563974960.db2.gz LQOBCQKISBGRIP-NSHDSACASA-N 0 3 340.250 4.861 50 0 EJAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2Sc1ccc(Cl)cc1 ZINC000005525563 564004985 /nfs/dbraw/zinc/00/49/85/564004985.db2.gz MXEIBCYOSABGBK-HKUYNNGSSA-N 0 3 344.911 4.963 50 0 EJAAHN Fc1cccc(-c2nc(CN3CCC[C@@H]3Cc3ccccc3)co2)c1 ZINC000028965821 564047655 /nfs/dbraw/zinc/04/76/55/564047655.db2.gz MDRMNZARSCEVMR-HXUWFJFHSA-N 0 3 336.410 4.688 50 0 EJAAHN Cc1ccc([C@]2(CCNCc3ccco3)CCO[C@H](C(C)C)C2)cc1 ZINC000001867331 564058035 /nfs/dbraw/zinc/05/80/35/564058035.db2.gz LWJUFUPLTBOXHQ-FCHUYYIVSA-N 0 3 341.495 4.841 50 0 biogenic EJAAHN Cc1sc([C@H](C)NC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000168585131 564076782 /nfs/dbraw/zinc/07/67/82/564076782.db2.gz CAUVUPVMZRENHZ-NSHDSACASA-N 0 3 336.888 4.602 50 0 EJAAHN C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 ZINC000075093152 564079986 /nfs/dbraw/zinc/07/99/86/564079986.db2.gz LDVDTIYGAJOHTI-INIZCTEOSA-N 0 3 331.463 4.806 50 0 EJAAHN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000075093152 564079987 /nfs/dbraw/zinc/07/99/87/564079987.db2.gz LDVDTIYGAJOHTI-INIZCTEOSA-N 0 3 331.463 4.806 50 0 EJAAHN CC(C)(C)c1ccc(NC(=O)CN[C@H]2CCCc3ccccc32)cc1 ZINC000006313559 564084445 /nfs/dbraw/zinc/08/44/45/564084445.db2.gz OXDDHNUWUCZFOE-FQEVSTJZSA-N 0 3 336.479 4.590 50 0 EJAAHN C[C@@H](NCC(C)(C)c1ccccc1Br)c1nccs1 ZINC000090590778 564084821 /nfs/dbraw/zinc/08/48/21/564084821.db2.gz NDFQBNIOFKLGCM-LLVKDONJSA-N 0 3 339.302 4.534 50 0 EJAAHN CC1(C)C[C@@H]([C@@H](CCNCc2ccco2)Cc2ccccc2)CCO1 ZINC000001817951 564088722 /nfs/dbraw/zinc/08/87/22/564088722.db2.gz VGFDASKIEQFNNO-PMACEKPBSA-N 0 3 341.495 4.823 50 0 biogenic EJAAHN c1cncc([C@H]2CCCCN2CCCOc2ccc3c(c2)CCC3)c1 ZINC000006624477 564094620 /nfs/dbraw/zinc/09/46/20/564094620.db2.gz NOLGZYBMBYUYIW-JOCHJYFZSA-N 0 3 336.479 4.566 50 0 biogenic EJAAHN c1cncc([C@@H]2CCCCN2CCCOc2ccc3c(c2)CCC3)c1 ZINC000006624476 564094625 /nfs/dbraw/zinc/09/46/25/564094625.db2.gz NOLGZYBMBYUYIW-QFIPXVFZSA-N 0 3 336.479 4.566 50 0 biogenic EJAAHN CC(C)OP(=O)(OC(C)C)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000006762704 564097328 /nfs/dbraw/zinc/09/73/28/564097328.db2.gz YXAOLNQFCZWDQD-KLZNEWFBSA-N 0 3 329.421 4.531 50 0 EJAAHN Cc1cccc(C(C)C)c1NC(=O)CNCCc1ccc(Cl)cc1 ZINC000006787909 564097787 /nfs/dbraw/zinc/09/77/87/564097787.db2.gz XEHLBMWUFBXMTO-UHFFFAOYSA-N 0 3 344.886 4.543 50 0 EJAAHN CCc1nc([C@H](C)N[C@@H]2CCC[C@H]3OCC[C@H]32)oc1-c1ccccc1 ZINC000252538735 564120611 /nfs/dbraw/zinc/12/06/11/564120611.db2.gz NGCVTPQROISFPX-IAAVTCLWSA-N 0 3 340.467 4.512 50 0 EJAAHN CCCCCOc1ccc([C@@](O)(CCN(C)C)C2CCCCC2)cc1 ZINC000002193325 564120740 /nfs/dbraw/zinc/12/07/40/564120740.db2.gz FCOCMDJFHNPRQP-JOCHJYFZSA-N 0 3 347.543 4.975 50 0 EJAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2Sc1ccc(Cl)cc1 ZINC000253387534 564130362 /nfs/dbraw/zinc/13/03/62/564130362.db2.gz MXEIBCYOSABGBK-IEBWSBKVSA-N 0 3 344.911 4.963 50 0 EJAAHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420393 564139925 /nfs/dbraw/zinc/13/99/25/564139925.db2.gz KOVGTQYCOJCTMY-UONOGXRCSA-N 0 3 343.496 4.752 50 0 EJAAHN C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095946717 564142254 /nfs/dbraw/zinc/14/22/54/564142254.db2.gz UOCLZCIQOCUTEB-PIGZYNQJSA-N 0 3 349.261 4.598 50 0 EJAAHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000028352285 564151002 /nfs/dbraw/zinc/15/10/02/564151002.db2.gz UQZJTEIEXIRSBI-CABCVRRESA-N 0 3 336.410 4.657 50 0 EJAAHN Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3)c2cc1C(C)C ZINC000057406052 564153958 /nfs/dbraw/zinc/15/39/58/564153958.db2.gz AYFUMZYGRRTFIH-UHFFFAOYSA-N 0 3 335.447 4.857 50 0 EJAAHN Cc1ccc2c(CN(Cc3cccs3)C(C)C)cc(=O)oc2c1 ZINC000057570167 564155041 /nfs/dbraw/zinc/15/50/41/564155041.db2.gz LCNYYGGMTKLYLM-UHFFFAOYSA-N 0 3 327.449 4.574 50 0 EJAAHN Cc1cc2oc(=O)cc(CN(C)[C@H]3CCCc4ccccc43)c2cc1C ZINC000008126311 564162889 /nfs/dbraw/zinc/16/28/89/564162889.db2.gz CJIWPGFHMAPSDC-NRFANRHFSA-N 0 3 347.458 4.919 50 0 EJAAHN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCC[C@@H](C)C1 ZINC000008717969 564166853 /nfs/dbraw/zinc/16/68/53/564166853.db2.gz TUFKCQXQMQYRLP-OAHLLOKOSA-N 0 3 342.483 4.516 50 0 EJAAHN C[C@@H]1[C@@H](C)CCC[C@@H]1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004546171 210219190 /nfs/dbraw/zinc/21/91/90/210219190.db2.gz SFZFJLNLICHCTF-YVCBRDFCSA-N 0 3 348.490 4.756 50 0 EJAAHN COc1cc(CN2CCCC2)ccc1Oc1nc2ccccc2cc1C ZINC000067974098 215264067 /nfs/dbraw/zinc/26/40/67/215264067.db2.gz BURCDTYJLRTNHD-UHFFFAOYSA-N 0 3 348.446 4.940 50 0 EJAAHN c1ccn2c(c1)nc(C13CC4CC(CC(C4)C1)C3)c2CN1CCCCC1 ZINC000039943393 213244134 /nfs/dbraw/zinc/24/41/34/213244134.db2.gz OTGXSOQYLZCKAK-UHFFFAOYSA-N 0 3 349.522 4.788 50 0 EJAAHN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2)cc1 ZINC000036347555 213086053 /nfs/dbraw/zinc/08/60/53/213086053.db2.gz TUXPHMURPWFRBA-HSZRJFAPSA-N 0 3 346.474 4.800 50 0 EJAAHN C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000032754492 202232089 /nfs/dbraw/zinc/23/20/89/202232089.db2.gz HSZGUGRXXCFFGY-INIZCTEOSA-N 0 3 331.419 4.812 50 0 EJAAHN CCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000072314846 216149311 /nfs/dbraw/zinc/14/93/11/216149311.db2.gz UQQSCVHTFHOLHM-LJQANCHMSA-N 0 3 331.481 4.513 50 0 EJAAHN c1cc([C@@H]2CCCCO2)sc1CN1CCC(c2ccncc2)CC1 ZINC000072428462 216219054 /nfs/dbraw/zinc/21/90/54/216219054.db2.gz KWZNPPKAQQTKME-IBGZPJMESA-N 0 3 342.508 4.764 50 0 EJAAHN COc1ccc(CC[C@H](C)NCc2ccccc2Br)cc1 ZINC000023280222 212366662 /nfs/dbraw/zinc/36/66/62/212366662.db2.gz HORALTXJBPFJMB-AWEZNQCLSA-N 0 3 348.284 4.569 50 0 EJAAHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccc2ccccc21 ZINC000022788083 212325594 /nfs/dbraw/zinc/32/55/94/212325594.db2.gz PIQJOOOTACAFAE-QGZVFWFLSA-N 0 3 327.431 4.876 50 0 EJAAHN c1ccn(-c2ccc(CC3CCN(Cc4cccs4)CC3)cc2)c1 ZINC000022630032 212313043 /nfs/dbraw/zinc/31/30/43/212313043.db2.gz BFSRJWMWSHOFHW-UHFFFAOYSA-N 0 3 336.504 4.994 50 0 EJAAHN Cc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)o1 ZINC000020994166 212195345 /nfs/dbraw/zinc/19/53/45/212195345.db2.gz SXCUCEWFAPODFM-SFHVURJKSA-N 0 3 335.451 4.666 50 0 EJAAHN Cc1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020908313 212186192 /nfs/dbraw/zinc/18/61/92/212186192.db2.gz WHNVCDLOMYGKLI-IBGZPJMESA-N 0 3 349.453 4.904 50 0 EJAAHN C[C@@H]1CN(CCCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000020168415 212108655 /nfs/dbraw/zinc/10/86/55/212108655.db2.gz KJVYOTNIJSFCAY-RTBURBONSA-N 0 3 339.479 4.622 50 0 EJAAHN C[C@H]1CN(CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000020168419 212108733 /nfs/dbraw/zinc/10/87/33/212108733.db2.gz KJVYOTNIJSFCAY-OALUTQOASA-N 0 3 339.479 4.622 50 0 EJAAHN O[C@H](CNCc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 ZINC000019872540 212077934 /nfs/dbraw/zinc/07/79/34/212077934.db2.gz BPAJTQFKTYJJBD-GOSISDBHSA-N 0 3 345.801 4.562 50 0 EJAAHN Cc1c(Cl)cccc1-c1ccc(CNC[C@H](O)c2ccccc2)o1 ZINC000019796852 212069150 /nfs/dbraw/zinc/06/91/50/212069150.db2.gz CMAPKYOFFHEYDT-IBGZPJMESA-N 0 3 341.838 4.732 50 0 EJAAHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012676788 211432958 /nfs/dbraw/zinc/43/29/58/211432958.db2.gz YOIFKBVZIUEIIB-XIKOKIGWSA-N 0 3 346.833 4.547 50 0 EJAAHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754292 211446901 /nfs/dbraw/zinc/44/69/01/211446901.db2.gz LSMFEVRVLVSGJC-HOTGVXAUSA-N 0 3 348.446 4.526 50 0 EJAAHN Cc1c([C@@H](C)NCc2cc(C)ccc2C)cnn1-c1cccc(F)c1 ZINC000012459812 211388139 /nfs/dbraw/zinc/38/81/39/211388139.db2.gz VGTZBKOADUEPIH-MRXNPFEDSA-N 0 3 337.442 4.787 50 0 EJAAHN Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 ZINC000010351439 211166988 /nfs/dbraw/zinc/16/69/88/211166988.db2.gz CSZYKZMDYFNJRB-MGPUTAFESA-N 0 3 340.442 4.510 50 0 EJAAHN COc1cc(C[NH2+][C@@H](c2cccs2)C(C)C)cc(Cl)c1[O-] ZINC000009503239 211092884 /nfs/dbraw/zinc/09/28/84/211092884.db2.gz VEROLWJPZVKINI-OAHLLOKOSA-N 0 3 325.861 4.603 50 0 EJAAHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095427037 218369481 /nfs/dbraw/zinc/36/94/81/218369481.db2.gz HZOYGJNXOKTADW-IAQYHMDHSA-N 0 3 336.357 4.534 50 0 EJAAHN C[C@H](N[C@@H]1CCCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000095421535 218363373 /nfs/dbraw/zinc/36/33/73/218363373.db2.gz JCBDULRIUOTXOK-UYGSHGSRSA-N 0 3 327.493 4.542 50 0 EJAAHN COc1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cc1NC(C)=O ZINC000095422539 218365248 /nfs/dbraw/zinc/36/52/48/218365248.db2.gz IUMXWCJVOKGQAQ-HZPDHXFCSA-N 0 3 340.467 4.682 50 0 EJAAHN COc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1OCc1ccccc1 ZINC000004987719 210351542 /nfs/dbraw/zinc/35/15/42/210351542.db2.gz RVJRKJHWOFRELA-QZTJIDSGSA-N 0 3 339.479 4.752 50 0 EJAAHN CCN(CC)Cc1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000004833132 210292383 /nfs/dbraw/zinc/29/23/83/210292383.db2.gz OCPVPVQPZYDBTP-UHFFFAOYSA-N 0 3 345.486 4.813 50 0 EJAAHN Clc1ccccc1NC1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000004817069 210286806 /nfs/dbraw/zinc/28/68/06/210286806.db2.gz JXXRWTGRTKEZOE-UHFFFAOYSA-N 0 3 339.870 4.898 50 0 EJAAHN FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000071774986 258063957 /nfs/dbraw/zinc/06/39/57/258063957.db2.gz UDBHGHCHSNJGCM-QGZVFWFLSA-N 0 3 348.412 4.945 50 0 EJAAHN CN(C[C@H](O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000028909256 523101790 /nfs/dbraw/zinc/10/17/90/523101790.db2.gz NIVNLPOAKGFAQT-NRFANRHFSA-N 0 3 335.422 4.581 50 0 EJAAHN COc1ccc(Oc2ccc(CNCc3ccc(C)s3)cn2)cc1 ZINC000040120012 524994867 /nfs/dbraw/zinc/99/48/67/524994867.db2.gz QQEGFYKAVLUCIK-UHFFFAOYSA-N 0 3 340.448 4.542 50 0 EJAAHN C[C@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000004980672 563517096 /nfs/dbraw/zinc/51/70/96/563517096.db2.gz ZCYQVRRSGRUGSX-MRXNPFEDSA-N 0 3 348.412 4.631 50 0 EJAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccccc1Cl ZINC000006698224 563578961 /nfs/dbraw/zinc/57/89/61/563578961.db2.gz UBABFXTUUWDKDL-UHFFFAOYSA-N 0 3 343.858 4.970 50 0 EJAAHN C[C@H](NCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012792860 563671924 /nfs/dbraw/zinc/67/19/24/563671924.db2.gz WLAVANZANPOHMW-KRWDZBQOSA-N 0 3 346.430 4.596 50 0 EJAAHN Cc1cccc(NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000017071155 563833954 /nfs/dbraw/zinc/83/39/54/563833954.db2.gz SYPHVENCLCODHR-UHFFFAOYSA-N 0 3 339.508 4.790 50 0 EJAAHN C=C1c2ccccc2NC(=O)N1Cc1ccccc1CN1CCCCC1 ZINC000025048834 563880322 /nfs/dbraw/zinc/88/03/22/563880322.db2.gz BXYBZNFITKPNMK-UHFFFAOYSA-N 0 3 347.462 4.691 50 0 EJAAHN Cc1ccc2c(CN3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 ZINC000025423990 563884559 /nfs/dbraw/zinc/88/45/59/563884559.db2.gz OEUBNDWFXOQMBG-MRXNPFEDSA-N 0 3 325.433 4.500 50 0 EJAAHN CSc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000048265090 563886052 /nfs/dbraw/zinc/88/60/52/563886052.db2.gz BBZBWIFLVTWNSB-MRXNPFEDSA-N 0 3 346.521 4.636 50 0 EJAAHN CCN(Cc1ccc(Cl)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018638 563914694 /nfs/dbraw/zinc/91/46/94/563914694.db2.gz JOWCYVQDFHLYRD-UHFFFAOYSA-N 0 3 341.838 4.777 50 0 EJAAHN COc1ccc(CN2CCCCC[C@H]2c2sccc2C)cc1O ZINC000033087151 563915031 /nfs/dbraw/zinc/91/50/31/563915031.db2.gz ZPDAINITPUUDCR-INIZCTEOSA-N 0 3 331.481 4.888 50 0 EJAAHN Cc1ccc([C@H](C)CCN2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000022077767 563918407 /nfs/dbraw/zinc/91/84/07/563918407.db2.gz VYANVQBLQKPKDN-GOSISDBHSA-N 0 3 326.484 4.521 50 0 EJAAHN C/C(=C\c1ccco1)CN1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065376231 563958888 /nfs/dbraw/zinc/95/88/88/563958888.db2.gz NTNKEVPUJMRNGE-XMJIKXADSA-N 0 3 345.446 4.629 50 0 EJAAHN CC(=O)c1cccc(-c2cc([C@@H]3CCN(C/C=C/C(C)C)C3)ccn2)c1 ZINC000065464012 563961246 /nfs/dbraw/zinc/96/12/46/563961246.db2.gz JXRFWILADKGDJV-IOUFHMPJSA-N 0 3 348.490 4.953 50 0 EJAAHN CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(C)cc1C)NCC2 ZINC000000034570 563967834 /nfs/dbraw/zinc/96/78/34/563967834.db2.gz XMHWWXLACWWANG-QFIPXVFZSA-N 0 3 339.479 4.644 50 0 EJAAHN O=C(C[C@H]1CCCN1Cc1cccc2cccnc21)c1ccc(F)cc1 ZINC000097229474 563970665 /nfs/dbraw/zinc/97/06/65/563970665.db2.gz IQONXZGKSQNZAH-HXUWFJFHSA-N 0 3 348.421 4.611 50 0 EJAAHN Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCCC2)c1C ZINC000004748613 563973121 /nfs/dbraw/zinc/97/31/21/563973121.db2.gz RWVMYXUITQEMPO-UHFFFAOYSA-N 0 3 346.471 4.742 50 0 EJAAHN COCc1ccc(CNCc2cc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000072312292 563983920 /nfs/dbraw/zinc/98/39/20/563983920.db2.gz ZRIZZCGREJKNMZ-UHFFFAOYSA-N 0 3 349.261 4.911 50 0 EJAAHN Clc1ccc(CN2c3ccccc3N3CCCN=C23)c(Cl)c1 ZINC000000186899 563988049 /nfs/dbraw/zinc/98/80/49/563988049.db2.gz AWTIHXFFIIEHNK-UHFFFAOYSA-N 0 3 332.234 4.580 50 0 EJAAHN Cc1cc(C)c(NC(=O)[C@H]2CCCCN2C2CCCCC2)c(C)c1 ZINC000000186692 563996594 /nfs/dbraw/zinc/99/65/94/563996594.db2.gz KBOMNCDLICXPTM-LJQANCHMSA-N 0 3 328.500 4.738 50 0 EJAAHN Clc1ccc(CN2CCC[C@H](COCc3ccccc3)C2)cc1 ZINC000062161894 564003673 /nfs/dbraw/zinc/00/36/73/564003673.db2.gz 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ZINC000090044502 564116182 /nfs/dbraw/zinc/11/61/82/564116182.db2.gz FNEOAXMSVRTRRA-CQSZACIVSA-N 0 3 349.459 4.845 50 0 EJAAHN CC(C)CC[C@@H](CCNCc1ccco1)c1ccc2c(c1)OCO2 ZINC000002323730 564132307 /nfs/dbraw/zinc/13/23/07/564132307.db2.gz UQAUOPVSUTUMKP-INIZCTEOSA-N 0 3 329.440 4.708 50 0 EJAAHN CC(C)=CCCC1=CC[C@H]([C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@@H](C)C1 ZINC000012656753 564135408 /nfs/dbraw/zinc/13/54/08/564135408.db2.gz XIHJFMFAIYGPCL-WSWWRLHASA-N 0 3 347.543 4.933 50 0 biogenic EJAAHN Cc1ccsc1[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095420396 564139919 /nfs/dbraw/zinc/13/99/19/564139919.db2.gz KOVGTQYCOJCTMY-KGLIPLIRSA-N 0 3 343.496 4.752 50 0 EJAAHN Fc1ccc([C@H]2CCC[C@H]2NCc2ncc(-c3cccs3)o2)cc1 ZINC000095941410 564142062 /nfs/dbraw/zinc/14/20/62/564142062.db2.gz WDOMUAALMGFFED-HZPDHXFCSA-N 0 3 342.439 4.968 50 0 EJAAHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000095967169 564143013 /nfs/dbraw/zinc/14/30/13/564143013.db2.gz KRGBXPSUMSLGRE-YWTKSJFSSA-N 0 3 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/nfs/dbraw/zinc/23/82/35/210238235.db2.gz FYWPHUYGVNYFIB-CQSZACIVSA-N 0 3 345.870 4.519 50 0 EJAAHN Cc1ccc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1F ZINC000013320227 201889874 /nfs/dbraw/zinc/88/98/74/201889874.db2.gz JQAOKMQDUOKXQD-UHFFFAOYSA-N 0 3 341.430 4.764 50 0 EJAAHN Cc1nc(-c2c(O)cn(-c3ccccc3C(C)C)c2N)sc1C ZINC000102422209 219202580 /nfs/dbraw/zinc/20/25/80/219202580.db2.gz PQVJGLTWJAPEGS-UHFFFAOYSA-N 0 3 327.453 4.650 50 0 EJAAHN CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CCCCC1 ZINC000003321376 210006988 /nfs/dbraw/zinc/00/69/88/210006988.db2.gz GTRJYZRGEKKVIK-UHFFFAOYSA-N 0 3 338.451 4.682 50 0 EJAAHN CC(C)c1cccc(C(C)C)c1OCCCCCN1CCN(C)CC1 ZINC000019792616 202021364 /nfs/dbraw/zinc/02/13/64/202021364.db2.gz KXQABDHFCFIHPG-UHFFFAOYSA-N 0 3 346.559 4.730 50 0 EJAAHN CN(C[C@H](O)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238107 202100574 /nfs/dbraw/zinc/10/05/74/202100574.db2.gz AZLVFMJMZBMGFL-VXKWHMMOSA-N 0 3 335.422 4.581 50 0 EJAAHN Cc1c2ccccc2oc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000031621540 202207137 /nfs/dbraw/zinc/20/71/37/202207137.db2.gz BFDDDZBVTNYYOC-UHFFFAOYSA-N 0 3 348.446 4.979 50 0 EJAAHN Cc1[nH]c2ccc(F)cc2c1CCNCc1c(F)cccc1Cl ZINC000036657757 213108453 /nfs/dbraw/zinc/10/84/53/213108453.db2.gz WJCQNJDKGPDLMZ-UHFFFAOYSA-N 0 3 334.797 4.740 50 0 EJAAHN Cc1ccccc1CN(Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036104426 213068956 /nfs/dbraw/zinc/06/89/56/213068956.db2.gz PBTGGUPHSKWXQE-DEOSSOPVSA-N 0 3 345.486 4.601 50 0 EJAAHN COC(=O)c1ccc(CN2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087059 202249544 /nfs/dbraw/zinc/24/95/44/202249544.db2.gz PKOJGKBOPJFURY-KRWDZBQOSA-N 0 3 329.465 4.652 50 0 EJAAHN COc1ccc(CN2CCCCC[C@H]2c2ccc(C)cc2)cc1O ZINC000033087145 202250155 /nfs/dbraw/zinc/25/01/55/202250155.db2.gz QPWSXRYQSRHUAI-IBGZPJMESA-N 0 3 325.452 4.827 50 0 EJAAHN COc1cc(CN2CCCCC[C@H]2c2cccs2)cc(OC)c1 ZINC000033087275 202250222 /nfs/dbraw/zinc/25/02/22/202250222.db2.gz DNWOAMLDSUWNHC-SFHVURJKSA-N 0 3 331.481 4.883 50 0 EJAAHN COc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(C)c2)c1 ZINC000036348345 202322111 /nfs/dbraw/zinc/32/21/11/202322111.db2.gz DNJPNXAQKSZYBF-QHCPKHFHSA-N 0 3 346.474 4.800 50 0 EJAAHN CSc1ccc(CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1 ZINC000023129132 212352821 /nfs/dbraw/zinc/35/28/21/212352821.db2.gz MSYAGRBZGGQPLK-KRWDZBQOSA-N 0 3 343.540 4.710 50 0 EJAAHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccc2ccccc21 ZINC000022788089 212324853 /nfs/dbraw/zinc/32/48/53/212324853.db2.gz PIQJOOOTACAFAE-KRWDZBQOSA-N 0 3 327.431 4.876 50 0 EJAAHN c1nc(N2CCCC2)sc1CN1CCC[C@H](c2ccccc2)CC1 ZINC000215410907 241125881 /nfs/dbraw/zinc/12/58/81/241125881.db2.gz MOZVVQIKFOCBHN-SFHVURJKSA-N 0 3 341.524 4.513 50 0 EJAAHN CCCCOc1c(Cl)cc(CNCc2ccccc2)cc1OC ZINC000002745781 201542424 /nfs/dbraw/zinc/54/24/24/201542424.db2.gz NQFVNOMPSDHYGE-UHFFFAOYSA-N 0 3 333.859 4.817 50 0 EJAAHN Fc1ccc(-c2n[nH]cc2CN[C@H]2CCCc3ccccc32)c(F)c1 ZINC000020601501 212151319 /nfs/dbraw/zinc/15/13/19/212151319.db2.gz PIYOSABKNNLPKB-IBGZPJMESA-N 0 3 339.389 4.522 50 0 EJAAHN CC(C)CCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020123504 212104533 /nfs/dbraw/zinc/10/45/33/212104533.db2.gz SDCUDEZNTYGSGW-WOUAJJJCSA-N 0 3 328.500 4.601 50 0 EJAAHN Cc1c(Cl)cccc1-c1ccc(CNC[C@@H](O)c2ccccc2)o1 ZINC000019796850 212069139 /nfs/dbraw/zinc/06/91/39/212069139.db2.gz CMAPKYOFFHEYDT-LJQANCHMSA-N 0 3 341.838 4.732 50 0 EJAAHN COCCC[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1F ZINC000077524871 203393807 /nfs/dbraw/zinc/39/38/07/203393807.db2.gz WQSZYPXIIBQCEI-HNNXBMFYSA-N 0 3 333.369 4.626 50 0 EJAAHN CC[C@@H](N)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000019735040 212058692 /nfs/dbraw/zinc/05/86/92/212058692.db2.gz LKCGBGGEGUNEKP-CQSZACIVSA-N 0 3 334.250 4.801 50 0 EJAAHN OCC1(CCc2ccccc2)CCN(Cc2ccccc2Cl)CC1 ZINC000012468734 211389959 /nfs/dbraw/zinc/38/99/59/211389959.db2.gz OZWRNLUDQVRONC-UHFFFAOYSA-N 0 3 343.898 4.547 50 0 EJAAHN O=C1CCCCN1c1cccc(CNCc2cccc3ccccc32)c1 ZINC000089873236 217868324 /nfs/dbraw/zinc/86/83/24/217868324.db2.gz UQAAOMHOMYQRDP-UHFFFAOYSA-N 0 3 344.458 4.647 50 0 EJAAHN c1[nH]nc(-c2cc3ccccc3o2)c1CN[C@@H]1CCc2ccccc21 ZINC000012434311 211380365 /nfs/dbraw/zinc/38/03/65/211380365.db2.gz ABPZFWYSAZFVOZ-GOSISDBHSA-N 0 3 329.403 4.600 50 0 EJAAHN CC(C)[C@@H]1C[C@](CCNCc2ccco2)(Cc2ccccc2)CCO1 ZINC000009047506 211034717 /nfs/dbraw/zinc/03/47/17/211034717.db2.gz FTYLBMAHZDXPAM-VXKWHMMOSA-N 0 3 341.495 4.823 50 0 EJAAHN Cc1cc([C@H](NCc2ccc([S@@](C)=O)cc2)C(C)C)c(C)s1 ZINC000095409649 218346510 /nfs/dbraw/zinc/34/65/10/218346510.db2.gz QYBANGOGCTVYKS-GCJKJVERSA-N 0 3 335.538 4.589 50 0 EJAAHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 ZINC000095419578 218359836 /nfs/dbraw/zinc/35/98/36/218359836.db2.gz FOVCMWAWYAXQCN-ZHRRBRCNSA-N 0 3 337.463 4.583 50 0 EJAAHN C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2o1 ZINC000095420168 218360912 /nfs/dbraw/zinc/36/09/12/218360912.db2.gz YCUBOJJQZJWKMF-MRXNPFEDSA-N 0 3 331.419 4.528 50 0 EJAAHN C[C@H](N[C@H]1CCCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000245312414 258000451 /nfs/dbraw/zinc/00/04/51/258000451.db2.gz JCBDULRIUOTXOK-RSDPBLMXSA-N 0 3 327.493 4.542 50 0 EJAAHN Cc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000057574452 258061815 /nfs/dbraw/zinc/06/18/15/258061815.db2.gz HRPNJGAIADJNEN-IBGZPJMESA-N 0 3 330.859 4.574 50 0 EJAAHN c1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000055542962 132195498 /nfs/dbraw/zinc/19/54/98/132195498.db2.gz XWWQRHJUIYFCLD-UHFFFAOYSA-N 0 3 328.459 4.676 50 0 EJAAHN C[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020444395 135720612 /nfs/dbraw/zinc/72/06/12/135720612.db2.gz YFARKOXLNOAESC-CQSZACIVSA-N 0 3 335.278 4.877 50 0 EJAAHN CCOC(=O)c1ccc(Nc2c3c(nc4ccccc42)CCC3)cc1 ZINC000000122857 563235379 /nfs/dbraw/zinc/23/53/79/563235379.db2.gz TXTSSBJYNYPFCU-UHFFFAOYSA-N 0 3 332.403 4.644 50 0 EJAAHN Clc1ccccc1COc1ccc(CNCc2cccnc2)cc1 ZINC000000359786 563292927 /nfs/dbraw/zinc/29/29/27/563292927.db2.gz LOFGWTPBRXHTFV-UHFFFAOYSA-N 0 3 338.838 4.604 50 0 EJAAHN COc1cc(CNCc2cccs2)ccc1OCc1ccccc1 ZINC000000360140 563293403 /nfs/dbraw/zinc/29/34/03/563293403.db2.gz IXRNNRSOGMGTEH-UHFFFAOYSA-N 0 3 339.460 4.626 50 0 EJAAHN CC[C@@]1(C)C[C@](CCNCc2ccco2)(c2ccccc2)CCO1 ZINC000001809902 563413080 /nfs/dbraw/zinc/41/30/80/563413080.db2.gz APRDXPRFHJTFDV-LEWJYISDSA-N 0 3 327.468 4.676 50 0 biogenic EJAAHN COc1ccccc1[C@@H](CCNCc1ccccc1F)c1ccco1 ZINC000001820870 563413504 /nfs/dbraw/zinc/41/35/04/563413504.db2.gz LPSASRYAMPFRQZ-GOSISDBHSA-N 0 3 339.410 4.739 50 0 EJAAHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(C)C ZINC000002863731 563457714 /nfs/dbraw/zinc/45/77/14/563457714.db2.gz RYZWVKQXCBSJIL-QGZVFWFLSA-N 0 3 327.468 4.971 50 0 EJAAHN COc1cc(CN2CCC[C@H](C)C2)ccc1OCc1ccccc1 ZINC000004989096 563517886 /nfs/dbraw/zinc/51/78/86/563517886.db2.gz MPWOWXODBGEVGT-KRWDZBQOSA-N 0 3 325.452 4.506 50 0 EJAAHN Clc1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1 ZINC000006709430 563581538 /nfs/dbraw/zinc/58/15/38/563581538.db2.gz BWZOAUPGLKFBLX-UHFFFAOYSA-N 0 3 338.838 4.604 50 0 EJAAHN CCOc1cc(CNC2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000008254512 563625106 /nfs/dbraw/zinc/62/51/06/563625106.db2.gz QDAYFHSGVWNZHV-UHFFFAOYSA-N 0 3 331.843 4.570 50 0 EJAAHN CC[C@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012466568 563661515 /nfs/dbraw/zinc/66/15/15/563661515.db2.gz JFISWJCPUZZMNN-KRWDZBQOSA-N 0 3 328.456 4.732 50 0 EJAAHN CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCCC1 ZINC000014705027 563763417 /nfs/dbraw/zinc/76/34/17/563763417.db2.gz CSJACMGSMFQCLN-UHFFFAOYSA-N 0 3 342.455 4.594 50 0 EJAAHN COc1ccc(CN2CCCCC[C@@H]2c2ccc(C)s2)cc1O ZINC000033087152 563914955 /nfs/dbraw/zinc/91/49/55/563914955.db2.gz LORBOIIYIXMRSN-MRXNPFEDSA-N 0 3 331.481 4.888 50 0 EJAAHN COc1ccc(CN2CCCCC[C@H]2c2cccc(C)c2)cc1O ZINC000033087147 563914980 /nfs/dbraw/zinc/91/49/80/563914980.db2.gz GCSYLBGRXRCXQY-IBGZPJMESA-N 0 3 325.452 4.827 50 0 EJAAHN CC(C)(C)C1CCC(N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000022455497 563918516 /nfs/dbraw/zinc/91/85/16/563918516.db2.gz CXHCRMXEXDJEHJ-JXMROGBWSA-N 0 3 340.555 4.922 50 0 EJAAHN COc1cccc(N2CCN(CCC3=C(C)CCCC3(C)C)CC2)c1 ZINC000006569649 563919254 /nfs/dbraw/zinc/91/92/54/563919254.db2.gz GMNNWWYFVAEIBM-UHFFFAOYSA-N 0 3 342.527 4.734 50 0 EJAAHN COc1ccccc1C[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000058434121 563946362 /nfs/dbraw/zinc/94/63/62/563946362.db2.gz NZLJTRJNWRYOBR-LJQANCHMSA-N 0 3 348.446 4.557 50 0 EJAAHN C[C@H](c1cccc(-c2ccc([O-])c(-c3ccno3)c2)c1)[NH+]1CCCC1 ZINC000065429613 563960804 /nfs/dbraw/zinc/96/08/04/563960804.db2.gz QPKMTNXKOVBWRR-OAHLLOKOSA-N 0 3 334.419 4.871 50 0 EJAAHN FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000071663055 563964707 /nfs/dbraw/zinc/96/47/07/563964707.db2.gz HVTLTIQKGUCHSF-MRXNPFEDSA-N 0 3 348.412 4.945 50 0 EJAAHN FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000071764409 563965483 /nfs/dbraw/zinc/96/54/83/563965483.db2.gz LSYSUJQVFLXZBN-KRWDZBQOSA-N 0 3 348.412 4.945 50 0 EJAAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000016247194 563976169 /nfs/dbraw/zinc/97/61/69/563976169.db2.gz QABLTKMPCIUMRR-HDICACEKSA-N 0 3 333.516 4.561 50 0 EJAAHN CN(C)CCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000000144053 563987184 /nfs/dbraw/zinc/98/71/84/563987184.db2.gz IYSDIBYKXROOMH-UHFFFAOYSA-N 0 3 348.494 4.568 50 0 EJAAHN C[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NCc1ccco1 ZINC000005350364 564003027 /nfs/dbraw/zinc/00/30/27/564003027.db2.gz JARGVZLPOWSQTB-LAUBAEHRSA-N 0 3 327.468 4.675 50 0 EJAAHN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1cccc2ccccc21 ZINC000014232408 564022038 /nfs/dbraw/zinc/02/20/38/564022038.db2.gz PCEYVUDDBZVOPJ-QGZVFWFLSA-N 0 3 327.431 4.876 50 0 EJAAHN Cc1ccc(-c2nc(CN3CCC[C@@H]3Cc3ccccc3)co2)cc1 ZINC000048339851 564031206 /nfs/dbraw/zinc/03/12/06/564031206.db2.gz CALUVDRRVGCHQW-OAQYLSRUSA-N 0 3 332.447 4.857 50 0 EJAAHN CCc1nc2ccccc2c(NCc2cccc(NC(C)=O)c2)c1C ZINC000225573279 564047881 /nfs/dbraw/zinc/04/78/81/564047881.db2.gz RRAHQQDZFRYFLZ-UHFFFAOYSA-N 0 3 333.435 4.676 50 0 EJAAHN COc1ccc2cc(CN[C@@H](C)c3ccc(F)c(F)c3)ccc2c1 ZINC000025361183 564054266 /nfs/dbraw/zinc/05/42/66/564054266.db2.gz IYYNWCXOEYOZEV-ZDUSSCGKSA-N 0 3 327.374 4.977 50 0 EJAAHN COc1cccc(C[C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 ZINC000083973355 564065393 /nfs/dbraw/zinc/06/53/93/564065393.db2.gz NBTMWFBWAVJHOW-IBGZPJMESA-N 0 3 348.446 4.557 50 0 EJAAHN C[C@@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000063577743 564073247 /nfs/dbraw/zinc/07/32/47/564073247.db2.gz KKPYVDDNQMKFQP-INIZCTEOSA-N 0 3 344.458 4.664 50 0 EJAAHN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 ZINC000012869681 564076007 /nfs/dbraw/zinc/07/60/07/564076007.db2.gz LWWFAARRZYXROW-HUUCEWRRSA-N 0 3 336.410 4.657 50 0 EJAAHN CCCN(Cc1ccc(C)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862304 564077003 /nfs/dbraw/zinc/07/70/03/564077003.db2.gz UPKREYCEGGJUMT-UHFFFAOYSA-N 0 3 334.463 4.557 50 0 EJAAHN CC(C)(C)c1ccc(NC(=O)CN[C@@H]2CCCc3ccccc32)cc1 ZINC000006313558 564084448 /nfs/dbraw/zinc/08/44/48/564084448.db2.gz OXDDHNUWUCZFOE-HXUWFJFHSA-N 0 3 336.479 4.590 50 0 EJAAHN CC(=O)Nc1cccc2c1CCN([C@H](C)c1cccc3ccccc31)C2 ZINC000064142996 564085267 /nfs/dbraw/zinc/08/52/67/564085267.db2.gz MDQAABQLEKQAOY-MRXNPFEDSA-N 0 3 344.458 4.918 50 0 EJAAHN CC(C)CCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000239203320 564088014 /nfs/dbraw/zinc/08/80/14/564088014.db2.gz SDCUDEZNTYGSGW-LNKGRISISA-N 0 3 328.500 4.601 50 0 EJAAHN CC1(C)C[C@@H]([C@H](CCNCc2ccco2)Cc2ccccc2)CCO1 ZINC000001817953 564088739 /nfs/dbraw/zinc/08/87/39/564088739.db2.gz VGFDASKIEQFNNO-UXHICEINSA-N 0 3 341.495 4.823 50 0 biogenic EJAAHN C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000089904898 564115020 /nfs/dbraw/zinc/11/50/20/564115020.db2.gz AUECQLRHFAMZEW-DOYUUMQYSA-N 0 3 347.911 4.879 50 0 EJAAHN C[C@H](NCCc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1 ZINC000090044501 564116200 /nfs/dbraw/zinc/11/62/00/564116200.db2.gz FNEOAXMSVRTRRA-AWEZNQCLSA-N 0 3 349.459 4.845 50 0 EJAAHN CCc1nc([C@H](C)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)oc1-c1ccccc1 ZINC000252538736 564120631 /nfs/dbraw/zinc/12/06/31/564120631.db2.gz NGCVTPQROISFPX-WLWJZTKJSA-N 0 3 340.467 4.512 50 0 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COc1cccc(CNCCc2ccccc2)c1OCc1ccccc1 ZINC000008495507 563631169 /nfs/dbraw/zinc/63/11/69/563631169.db2.gz PDCCOTBOASCRAX-UHFFFAOYSA-N 0 3 347.458 4.607 50 0 EJAAHN COc1cc(CN(C)[C@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000032751337 563724527 /nfs/dbraw/zinc/72/45/27/563724527.db2.gz TVLSPUUKQVLXNZ-KRWDZBQOSA-N 0 3 347.405 4.806 50 0 EJAAHN Clc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccco3)C2)cc1 ZINC000015000829 563770918 /nfs/dbraw/zinc/77/09/18/563770918.db2.gz DQJXOESVADDRJG-HNNXBMFYSA-N 0 3 341.842 4.703 50 0 EJAAHN CNCc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC000034664677 563873800 /nfs/dbraw/zinc/87/38/00/563873800.db2.gz VFHGRQVRODJHMO-UHFFFAOYSA-N 0 3 326.621 4.614 50 0 EJAAHN c1ccc2c(c1)CCC[C@@H]2NCc1ccc(OCc2ccncc2)cc1 ZINC000030543933 563909938 /nfs/dbraw/zinc/90/99/38/563909938.db2.gz VZNFAOSVKUCIJZ-QHCPKHFHSA-N 0 3 344.458 4.828 50 0 EJAAHN COc1cc(CN2CCCCC[C@@H]2c2cccs2)cc(OC)c1 ZINC000033087274 563915046 /nfs/dbraw/zinc/91/50/46/563915046.db2.gz DNWOAMLDSUWNHC-GOSISDBHSA-N 0 3 331.481 4.883 50 0 EJAAHN 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/nfs/dbraw/zinc/34/97/98/210349798.db2.gz WONBCACSUODFRS-UHFFFAOYSA-N 0 3 349.474 4.573 50 0 EJAAHN COc1ccc(Nc2c3ccccc3nc3c2CCCC3)cc1OC ZINC000004922281 210323788 /nfs/dbraw/zinc/32/37/88/210323788.db2.gz SJSOYOMGDAHJAW-UHFFFAOYSA-N 0 3 334.419 4.874 50 0 EJAAHN Cc1cc(C)c(OCCN(C)Cc2ccccc2)c(Br)c1 ZINC000004913378 210321286 /nfs/dbraw/zinc/32/12/86/210321286.db2.gz SIBQPTPZFXIELI-UHFFFAOYSA-N 0 3 348.284 4.577 50 0 EJAAHN CCn1c2ccccc2c2cc(CN(C)CCc3ccccn3)ccc21 ZINC000000271507 563270093 /nfs/dbraw/zinc/27/00/93/563270093.db2.gz JUWLWCCGZGKBAA-UHFFFAOYSA-N 0 3 343.474 4.884 50 0 EJAAHN Cc1ccc([C@@H](OCCN(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC000000378185 563299408 /nfs/dbraw/zinc/29/94/08/563299408.db2.gz RLJPEHJIOJINEG-GOSISDBHSA-N 0 3 337.385 4.681 50 0 EJAAHN Cc1ccc([C@H](OCCN(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC000000378183 563299441 /nfs/dbraw/zinc/29/94/41/563299441.db2.gz RLJPEHJIOJINEG-SFHVURJKSA-N 0 3 337.385 4.681 50 0 EJAAHN Cc1ccc([C@H](C)CCN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000005031930 563519363 /nfs/dbraw/zinc/51/93/63/563519363.db2.gz SALXXAYWFIHUAL-OAHLLOKOSA-N 0 3 332.875 4.557 50 0 EJAAHN CC[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccccc1 ZINC000071902732 563556206 /nfs/dbraw/zinc/55/62/06/563556206.db2.gz BFZPDDINZRYLFC-JOCHJYFZSA-N 0 3 339.479 4.623 50 0 EJAAHN O=C(Nc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010326865 563647236 /nfs/dbraw/zinc/64/72/36/563647236.db2.gz LAWONDIMPWDWBI-UHFFFAOYSA-N 0 3 328.843 4.578 50 0 EJAAHN C[C@@H](NCC1(c2ccccc2)CCCC1)c1nnc(-c2ccccc2)o1 ZINC000025898266 563888941 /nfs/dbraw/zinc/88/89/41/563888941.db2.gz WZJWIVXSBHYXNS-QGZVFWFLSA-N 0 3 347.462 4.899 50 0 EJAAHN Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000027141223 563894875 /nfs/dbraw/zinc/89/48/75/563894875.db2.gz OCVLQTRKJXZKTC-UHFFFAOYSA-N 0 3 347.462 4.715 50 0 EJAAHN CCCN(Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018651 563914765 /nfs/dbraw/zinc/91/47/65/563914765.db2.gz IVGLMTAZVXNCHD-UHFFFAOYSA-N 0 3 335.447 4.822 50 0 EJAAHN COc1ccc(CN2CCC[C@@H](C)C2)cc1OCc1ccccc1 ZINC000023282062 563919383 /nfs/dbraw/zinc/91/93/83/563919383.db2.gz VFFPPSBRWWWNFP-QGZVFWFLSA-N 0 3 325.452 4.506 50 0 EJAAHN Cc1ccc(CN(C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 ZINC000058130330 563937532 /nfs/dbraw/zinc/93/75/32/563937532.db2.gz XKEIKAZBXVSERC-UHFFFAOYSA-N 0 3 346.474 4.909 50 0 EJAAHN c1ccc(CN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000068677318 563963316 /nfs/dbraw/zinc/96/33/16/563963316.db2.gz PTYINEOCJKJYKG-UHFFFAOYSA-N 0 3 340.470 4.580 50 0 EJAAHN Oc1cccc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c1 ZINC000071715285 563964827 /nfs/dbraw/zinc/96/48/27/563964827.db2.gz GCYCYAPRMBUXMA-INIZCTEOSA-N 0 3 331.406 4.515 50 0 EJAAHN O=C(c1c[nH]c2ccccc12)[C@H](CN1CCCCC1)c1ccccc1 ZINC000071770260 563965601 /nfs/dbraw/zinc/96/56/01/563965601.db2.gz AHVIYSFSUDWFJQ-HXUWFJFHSA-N 0 3 332.447 4.620 50 0 EJAAHN CC(C)c1nc(CN(C)Cc2cc(CN3CCCC3)cs2)cs1 ZINC000077419432 563969519 /nfs/dbraw/zinc/96/95/19/563969519.db2.gz KONBMQBDWIPSMS-UHFFFAOYSA-N 0 3 349.569 4.556 50 0 EJAAHN C[C@@H](NCc1cc2cc(F)ccc2o1)c1cccc(-n2cccn2)c1 ZINC000072925020 563981260 /nfs/dbraw/zinc/98/12/60/563981260.db2.gz RNSXYCWRIQJGFT-CQSZACIVSA-N 0 3 335.382 4.608 50 0 EJAAHN Cc1ccc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2c1 ZINC000005575478 564005721 /nfs/dbraw/zinc/00/57/21/564005721.db2.gz HROUZSGBUNQOGV-UHFFFAOYSA-N 0 3 347.458 4.556 50 0 EJAAHN Cc1cccc([C@H](NCc2cnc3nc(C)cc(C)n23)C(C)(C)C)c1 ZINC000157443075 564010793 /nfs/dbraw/zinc/01/07/93/564010793.db2.gz AZPOUILNWFKQCX-IBGZPJMESA-N 0 3 336.483 4.532 50 0 EJAAHN O=C(c1ccc(Cl)cc1)[C@H](CN1CCCCC1)c1ccccc1 ZINC000000500602 564018961 /nfs/dbraw/zinc/01/89/61/564018961.db2.gz ZLFSDULZRLGADG-LJQANCHMSA-N 0 3 327.855 4.792 50 0 EJAAHN Fc1ccccc1-c1ccc(CNCc2ccc3c(c2)OCO3)s1 ZINC000044861666 564027207 /nfs/dbraw/zinc/02/72/07/564027207.db2.gz MAXKVNGRSSKUTP-UHFFFAOYSA-N 0 3 341.407 4.573 50 0 EJAAHN C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc2ccccc21 ZINC000024082710 564036360 /nfs/dbraw/zinc/03/63/60/564036360.db2.gz UFWYSGWVRTWTQO-GOSISDBHSA-N 0 3 341.458 4.935 50 0 EJAAHN CCN(Cc1ccccc1)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000005799499 564052221 /nfs/dbraw/zinc/05/22/21/564052221.db2.gz LIFJDZNUDFLPPW-UHFFFAOYSA-N 0 3 340.854 4.512 50 0 EJAAHN CC(C)[C@@H]1C[C@](CCNCc2ccco2)(c2ccccc2)CCO1 ZINC000001774069 564057332 /nfs/dbraw/zinc/05/73/32/564057332.db2.gz UMCUDUUEJCLEGK-LEWJYISDSA-N 0 3 327.468 4.532 50 0 biogenic EJAAHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000012754302 564067183 /nfs/dbraw/zinc/06/71/83/564067183.db2.gz LSMFEVRVLVSGJC-CVEARBPZSA-N 0 3 348.446 4.526 50 0 EJAAHN C[C@H]1CCCC[C@H]1OCCN1CCC(c2nc3ccccc3o2)CC1 ZINC000084691960 564069641 /nfs/dbraw/zinc/06/96/41/564069641.db2.gz LNKVEKLVCUJCFQ-QFBILLFUSA-N 0 3 342.483 4.603 50 0 EJAAHN CCCN(Cc1ccc(C)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862306 564076997 /nfs/dbraw/zinc/07/69/97/564076997.db2.gz KJHZNOZLLNTQQG-UHFFFAOYSA-N 0 3 348.490 4.866 50 0 EJAAHN CCN(CC)CCSc1ncnc2scc(-c3ccccc3)c21 ZINC000075319699 564081872 /nfs/dbraw/zinc/08/18/72/564081872.db2.gz TYHJAVRBDZZTTR-UHFFFAOYSA-N 0 3 343.521 4.792 50 0 EJAAHN C[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000239203380 564088016 /nfs/dbraw/zinc/08/80/16/564088016.db2.gz SFZFJLNLICHCTF-CTOYSFNJSA-N 0 3 348.490 4.756 50 0 EJAAHN C[C@@H]1CCC[C@H](N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000239203381 564088023 /nfs/dbraw/zinc/08/80/23/564088023.db2.gz SFZFJLNLICHCTF-XKPGHWPRSA-N 0 3 348.490 4.756 50 0 EJAAHN Cc1ccc([C@@]2(CCNCc3ccco3)CCO[C@H](C(C)C)C2)cc1 ZINC000001867330 564088964 /nfs/dbraw/zinc/08/89/64/564088964.db2.gz LWJUFUPLTBOXHQ-VXKWHMMOSA-N 0 3 341.495 4.841 50 0 biogenic EJAAHN Cc1ccc2c(CN[C@H]3CCCc4ccccc43)cc(=O)oc2c1C ZINC000006788265 564097796 /nfs/dbraw/zinc/09/77/96/564097796.db2.gz JMQOLSOXOYNVQR-FQEVSTJZSA-N 0 3 333.431 4.577 50 0 EJAAHN CN(Cc1ccccc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007016151 564103206 /nfs/dbraw/zinc/10/32/06/564103206.db2.gz LUWVEUKSIXUUGA-UHFFFAOYSA-N 0 3 330.431 4.571 50 0 EJAAHN C[C@@H]1C[C@@H](c2cccnc2)N(CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000170601621 564109351 /nfs/dbraw/zinc/10/93/51/564109351.db2.gz ZTABQPHCXYVLSJ-KUHUBIRLSA-N 0 3 340.854 4.594 50 0 EJAAHN CCCn1c(C(=O)Nc2ccc(C)cc2CN(C)C)cc2ccccc21 ZINC000170605068 564109557 /nfs/dbraw/zinc/10/95/57/564109557.db2.gz PYWNKHLXKJOESS-UHFFFAOYSA-N 0 3 349.478 4.674 50 0 EJAAHN O=C(Nc1ccc(CNCc2cc(Cl)cs2)cc1)c1ccco1 ZINC000192989584 564111704 /nfs/dbraw/zinc/11/17/04/564111704.db2.gz YYGBBBDBKQERMG-UHFFFAOYSA-N 0 3 346.839 4.537 50 0 EJAAHN Cc1ccc(C)n1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000089652249 564112931 /nfs/dbraw/zinc/11/29/31/564112931.db2.gz PVJUUNCIRFOHCP-UHFFFAOYSA-N 0 3 335.451 4.597 50 0 EJAAHN C[C@@H](NCC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000089905722 564115078 /nfs/dbraw/zinc/11/50/78/564115078.db2.gz IGZYBILAXICEQQ-QGZVFWFLSA-N 0 3 330.431 4.643 50 0 EJAAHN CCN(CC)N=c1c2ccc(Cl)cc2[nH]c2ccc(OC)cc21 ZINC000096026733 564144948 /nfs/dbraw/zinc/14/49/48/564144948.db2.gz CTSWSUTWJCCIJK-UHFFFAOYSA-N 0 3 329.831 4.719 50 0 EJAAHN CCCCc1ccc2[nH]c(C)c(CN3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717225 564166722 /nfs/dbraw/zinc/16/67/22/564166722.db2.gz ODNRMWTVUNTCHN-OAHLLOKOSA-N 0 3 326.484 4.966 50 0 EJAAHN CCN(Cc1ccccc1)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717410 564166849 /nfs/dbraw/zinc/16/68/49/564166849.db2.gz OVWNVGJCLGXRLS-UHFFFAOYSA-N 0 3 334.463 4.888 50 0 EJAAHN C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000245265403 564168896 /nfs/dbraw/zinc/16/88/96/564168896.db2.gz GWNYATQURCVOGA-SAJDGTNDSA-N 0 3 347.543 4.767 50 0 biogenic EJAAHN c1cncc(CN(Cc2cccc3c2OCO3)C2CCCCCC2)c1 ZINC000055153511 214279857 /nfs/dbraw/zinc/27/98/57/214279857.db2.gz PDCBAJZMLHBYDQ-UHFFFAOYSA-N 0 3 338.451 4.535 50 0 EJAAHN Cc1ccc(C)c(OC2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000058357450 214560992 /nfs/dbraw/zinc/56/09/92/214560992.db2.gz SKKFCXDBYCPIKK-UHFFFAOYSA-N 0 3 346.474 4.895 50 0 EJAAHN Cc1ccc(Cl)c(NC(=O)CN(C)C2CCCCC2)c1Cl ZINC000003332883 210011024 /nfs/dbraw/zinc/01/10/24/210011024.db2.gz QYXWFZKPPNGHIK-UHFFFAOYSA-N 0 3 329.271 4.505 50 0 EJAAHN COc1ccc(CN2CCCC2)cc1Oc1cnc2ccccc2c1 ZINC000067773949 215209319 /nfs/dbraw/zinc/20/93/19/215209319.db2.gz PZEDHECVIAVJQN-UHFFFAOYSA-N 0 3 334.419 4.632 50 0 EJAAHN CCOc1cc(CN2CCCC2)ccc1Oc1cc(F)ccc1C ZINC000067967514 215262368 /nfs/dbraw/zinc/26/23/68/215262368.db2.gz ZYQVMPQWBLGFOZ-UHFFFAOYSA-N 0 3 329.415 4.921 50 0 EJAAHN CSc1ccc(CN(C)CCCc2nc3ccccc3o2)cc1 ZINC000040155756 213274780 /nfs/dbraw/zinc/27/47/80/213274780.db2.gz UDZICFACKCEQMK-UHFFFAOYSA-N 0 3 326.465 4.614 50 0 EJAAHN Cc1sc(NC(=O)c2cccs2)c(CN2CCCCC2)c1C ZINC000038545991 213213186 /nfs/dbraw/zinc/21/31/86/213213186.db2.gz VQQUNXDGNZDWMF-UHFFFAOYSA-N 0 3 334.510 4.665 50 0 EJAAHN COc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(C)c2)c1 ZINC000036348346 213085780 /nfs/dbraw/zinc/08/57/80/213085780.db2.gz DNJPNXAQKSZYBF-HSZRJFAPSA-N 0 3 346.474 4.800 50 0 EJAAHN CCC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036098991 213065963 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