smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1CCC(N(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000002912838 209397679 /nfs/dbraw/zinc/39/76/79/209397679.db2.gz NGTUXMLOFRGDIZ-UHFFFAOYSA-N 0 3 391.968 5.005 50 0 GKAAHN CC(C)(C)c1cc([C@@H]2NCCc3c4ccccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000002270615 209353852 /nfs/dbraw/zinc/35/38/52/209353852.db2.gz VTKORTGHLCNSAX-NRFANRHFSA-N 0 3 376.544 5.704 50 0 GKAAHN COc1ccccc1[C@@H](CCNCc1ccco1)c1ccc(OC(C)C)cc1 ZINC000001829762 209340244 /nfs/dbraw/zinc/34/02/44/209340244.db2.gz WOMOOTSCJMEEFY-QFIPXVFZSA-N 0 3 379.500 5.387 50 0 biogenic GKAAHN Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351342 209335966 /nfs/dbraw/zinc/33/59/66/209335966.db2.gz ZLIVROVTRXNGGA-UGSOOPFHSA-N 0 3 377.315 5.370 50 0 GKAAHN c1cc(C2CCCCCCCCCCC2)cc2c3c4n(c12)CCN[C@@H]4CCC3 ZINC000002075324 212262867 /nfs/dbraw/zinc/26/28/67/212262867.db2.gz AXJVCYHYSUEQAL-XMMPIXPASA-N 0 3 378.604 7.010 50 0 GKAAHN CC(C)(C)c1cc([C@@H](c2ccccc2)N2CCCCC2)cc(C(C)(C)C)c1O ZINC000001889645 212258546 /nfs/dbraw/zinc/25/85/46/212258546.db2.gz CKEXYVSMAAJUCU-HSZRJFAPSA-N 0 3 379.588 6.563 50 0 GKAAHN COc1ccccc1C1=C(CN(C)C)[C@H](c2ccc(C)cc2)c2ccccc2O1 ZINC000001405941 212060262 /nfs/dbraw/zinc/06/02/62/212060262.db2.gz DQTAUYVWDPRQGZ-RUZDIDTESA-N 0 3 385.507 5.501 50 0 GKAAHN COc1ccc(N2CCc3c2c2cc(Oc4ccccc4)ccc2nc3C)cc1 ZINC000001386289 203905257 /nfs/dbraw/zinc/90/52/57/203905257.db2.gz AZDOESBFPVLBNQ-UHFFFAOYSA-N 0 3 382.463 6.038 50 0 GKAAHN CCC[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003440214 204006254 /nfs/dbraw/zinc/00/62/54/204006254.db2.gz AGQLYJCLKLLNDY-ILBGXUMGSA-N 0 3 375.512 5.224 50 0 GKAAHN Cc1cccc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)c1 ZINC000003665479 204018186 /nfs/dbraw/zinc/01/81/86/204018186.db2.gz ALHZHWPPZSECFP-UHFFFAOYSA-N 0 3 387.618 5.132 50 0 GKAAHN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000004554097 204051988 /nfs/dbraw/zinc/05/19/88/204051988.db2.gz WRANDMQMQYKIMO-HXUWFJFHSA-N 0 3 377.513 5.097 50 0 GKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093854 204111219 /nfs/dbraw/zinc/11/12/19/204111219.db2.gz CNQGAEKVQKGUFW-NRFANRHFSA-N 0 3 395.934 5.086 50 0 GKAAHN Fc1ccc(CN2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)cc1 ZINC000005762757 204150177 /nfs/dbraw/zinc/15/01/77/204150177.db2.gz MBNLQXNNAXUKFU-UHFFFAOYSA-N 0 3 385.486 5.749 50 0 GKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000006832867 204213940 /nfs/dbraw/zinc/21/39/40/204213940.db2.gz KSJPEQZRNDGLIS-OAQYLSRUSA-N 0 3 395.934 5.084 50 0 GKAAHN CC1(C)C[C@@](CCNCc2ccccn2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006661601 204190398 /nfs/dbraw/zinc/19/03/98/204190398.db2.gz AXTVNRGUZVFZIU-NRFANRHFSA-N 0 3 392.465 5.107 50 0 GKAAHN Clc1ccc([C@@H](CCN2Cc3ccccc3C2)Cc2ccccc2Cl)cc1 ZINC000006661316 204190651 /nfs/dbraw/zinc/19/06/51/204190651.db2.gz YQFIRNJNNWCNNX-IBGZPJMESA-N 0 3 396.361 6.726 50 0 GKAAHN Clc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000006719417 204194400 /nfs/dbraw/zinc/19/44/00/204194400.db2.gz NWFJBZAKQAMEAA-HSZRJFAPSA-N 0 3 394.946 6.274 50 0 GKAAHN CCc1ccc([C@H](CNc2ncnc3sc4c(c32)CCCCC4)N(C)C)cc1 ZINC000006881311 204220898 /nfs/dbraw/zinc/22/08/98/204220898.db2.gz FBOMMAILBBJCEW-IBGZPJMESA-N 0 3 394.588 5.237 50 0 GKAAHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1cccs1 ZINC000007540018 204241953 /nfs/dbraw/zinc/24/19/53/204241953.db2.gz PGFDEKFWBYBNCU-UHFFFAOYSA-N 0 3 387.932 5.587 50 0 GKAAHN COCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008469030 204277339 /nfs/dbraw/zinc/27/73/39/204277339.db2.gz HPHBMFWSBVVTPM-UHFFFAOYSA-N 0 3 390.310 5.462 50 0 GKAAHN CCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009358854 204308391 /nfs/dbraw/zinc/30/83/91/204308391.db2.gz LRKCWFYHHUSIOT-CUFOAUDUSA-N 0 3 378.343 5.792 50 0 GKAAHN Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cccc(C)n4)CC3)cc2)c1 ZINC000011821270 204355480 /nfs/dbraw/zinc/35/54/80/204355480.db2.gz AGHFNVNDQUNMNL-UHFFFAOYSA-N 0 3 399.538 5.216 50 0 GKAAHN O=C(CCC1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1Cl ZINC000011838433 204356218 /nfs/dbraw/zinc/35/62/18/204356218.db2.gz WTPASCGZPRNQIH-RMKNXTFCSA-N 0 3 382.935 5.484 50 0 GKAAHN Fc1ccc(-c2nc3cc4c(cc3cc2CNCc2ccsc2)OCO4)cc1 ZINC000012150729 204377460 /nfs/dbraw/zinc/37/74/60/204377460.db2.gz ZPODJYRQOYYWSL-UHFFFAOYSA-N 0 3 392.455 5.121 50 0 GKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c(C)c1 ZINC000036098997 205006629 /nfs/dbraw/zinc/00/66/29/205006629.db2.gz JOINITSSBQMBFL-VWLOTQADSA-N 0 3 377.503 5.048 50 0 GKAAHN CCCN(Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1ccc(OC)cc1 ZINC000036167691 205008670 /nfs/dbraw/zinc/00/86/70/205008670.db2.gz OJCNYCOKAKJMPL-UHFFFAOYSA-N 0 3 397.559 5.820 50 0 GKAAHN COc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037559631 205028125 /nfs/dbraw/zinc/02/81/25/205028125.db2.gz JOFQWONOPFWILO-UHFFFAOYSA-N 0 3 394.559 5.047 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)cc1 ZINC000037559515 205028514 /nfs/dbraw/zinc/02/85/14/205028514.db2.gz VUKDPUWRPVRRBH-UHFFFAOYSA-N 0 3 390.552 5.368 50 0 GKAAHN CC1=C(C)[C@@H](NC2CCCCCCCCCCC2)N(Cc2ccccc2)C1=O ZINC000057284704 205155515 /nfs/dbraw/zinc/15/55/15/205155515.db2.gz WEHAAMMBWDNXJR-DEOSSOPVSA-N 0 3 382.592 5.954 50 0 GKAAHN CC(C)(C)P1Cc2ccccc2[C@@H]1[C@H]1c2ccccc2CP1C(C)(C)C ZINC000060290780 205179502 /nfs/dbraw/zinc/17/95/02/205179502.db2.gz HCBRTCFUVLYSKU-URFUVCHWSA-N 0 3 382.468 8.057 50 0 GKAAHN FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3cncn3C3CC3)C2)c1 ZINC000072143554 205310989 /nfs/dbraw/zinc/31/09/89/205310989.db2.gz OOSWQAKVBMXMOV-QGZVFWFLSA-N 0 3 377.454 5.082 50 0 GKAAHN CCC(C)(C)c1ccc(OC[C@@H](O)CN2CCCCC2)c(C(C)(C)CC)c1 ZINC000000938376 206335138 /nfs/dbraw/zinc/33/51/38/206335138.db2.gz DLRKJICJRVVRCV-FQEVSTJZSA-N 0 3 375.597 5.287 50 0 GKAAHN Cc1ccc(NC(=O)NCC2CCN(Cc3cc(C)ccc3Cl)CC2)c(C)c1 ZINC000001069915 206348233 /nfs/dbraw/zinc/34/82/33/206348233.db2.gz OGMPHYQPNSUBSE-UHFFFAOYSA-N 0 3 399.966 5.299 50 0 GKAAHN Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351347 206388659 /nfs/dbraw/zinc/38/86/59/206388659.db2.gz ZLIVROVTRXNGGA-FZKQIMNGSA-N 0 3 377.315 5.370 50 0 GKAAHN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NCc2cc3ccccc3[nH]2)C1 ZINC000011818318 206834956 /nfs/dbraw/zinc/83/49/56/206834956.db2.gz ZTBOJCYKMUSQMH-QFIPXVFZSA-N 0 3 388.490 5.296 50 0 GKAAHN CSc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000015003818 207040468 /nfs/dbraw/zinc/04/04/68/207040468.db2.gz RZYVGFWEPYTLIZ-GOSISDBHSA-N 0 3 381.520 5.317 50 0 GKAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000015074592 207046575 /nfs/dbraw/zinc/04/65/75/207046575.db2.gz RNCCLBXRJOACFL-LJQANCHMSA-N 0 3 376.525 5.052 50 0 GKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000015679748 207056310 /nfs/dbraw/zinc/05/63/10/207056310.db2.gz UFABZCSRVUJYOI-UHFFFAOYSA-N 0 3 391.968 5.228 50 0 GKAAHN COc1ccc2oc(=O)cc(CN(Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@@H]3C)c2c1 ZINC000020446877 207192699 /nfs/dbraw/zinc/19/26/99/207192699.db2.gz DUYKSUKMPDEBPO-HYFFOGBASA-N 0 3 395.499 5.222 50 0 GKAAHN Cc1ccc(COc2ccc3ccccc3c2CNC[C@H](O)c2ccccc2)cc1 ZINC000020874235 207216302 /nfs/dbraw/zinc/21/63/02/207216302.db2.gz AWAOTMJXYPXHKO-SANMLTNESA-N 0 3 397.518 5.550 50 0 GKAAHN Clc1ccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426280 207302697 /nfs/dbraw/zinc/30/26/97/207302697.db2.gz SJUNBXNHZLULCE-PGRDOPGGSA-N 0 3 393.317 6.299 50 0 GKAAHN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000028293595 207339346 /nfs/dbraw/zinc/33/93/46/207339346.db2.gz WPEQMQSKWGIJPC-LJQANCHMSA-N 0 3 396.556 5.458 50 0 GKAAHN CSc1ccc2cc(CN3CCC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072472838 208029681 /nfs/dbraw/zinc/02/96/81/208029681.db2.gz YGVQORYUCPEQIG-LJQANCHMSA-N 0 3 398.959 5.234 50 0 GKAAHN Cc1ccc(CNCc2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000020874264 210364774 /nfs/dbraw/zinc/36/47/74/210364774.db2.gz QAQLQAWDUKLBOM-UHFFFAOYSA-N 0 3 381.519 6.325 50 0 GKAAHN O=C(NC1CCCCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020567861 210348366 /nfs/dbraw/zinc/34/83/66/210348366.db2.gz LBSIYPGHVJJMNG-UHFFFAOYSA-N 0 3 376.544 5.088 50 0 GKAAHN OC(CNCc1ccccc1F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365335 210329538 /nfs/dbraw/zinc/32/95/38/210329538.db2.gz DFZDGPPLFSPOKR-UHFFFAOYSA-N 0 3 390.285 5.158 50 0 GKAAHN O[C@@](CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365964 210329687 /nfs/dbraw/zinc/32/96/87/210329687.db2.gz TUDHZAKGQTXOSS-NRFANRHFSA-N 0 3 390.285 5.158 50 0 GKAAHN COc1ccccc1-c1nc(CN2CCC[C@@H](c3cccc(C)c3)C2)c(C)o1 ZINC000019884836 210304283 /nfs/dbraw/zinc/30/42/83/210304283.db2.gz QQUIKEOGZJYBSM-HXUWFJFHSA-N 0 3 376.500 5.347 50 0 GKAAHN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccc2ccccc21 ZINC000008863156 221061658 /nfs/dbraw/zinc/06/16/58/221061658.db2.gz GRBOGFRADZIHTD-JOCHJYFZSA-N 0 3 378.541 5.248 50 0 GKAAHN Clc1ccc(OCCCN2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000008742591 221053594 /nfs/dbraw/zinc/05/35/94/221053594.db2.gz LBPIAAWOVWKQMR-QFIPXVFZSA-N 0 3 380.919 5.884 50 0 biogenic GKAAHN Cc1oc(-c2cccc(C)c2)nc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000011662565 221118962 /nfs/dbraw/zinc/11/89/62/221118962.db2.gz YMIVNLFHTRDMSO-QFIPXVFZSA-N 0 3 375.516 5.341 50 0 GKAAHN CSc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000012037702 221144309 /nfs/dbraw/zinc/14/43/09/221144309.db2.gz MPJYYXWLRMMEOE-JOCHJYFZSA-N 0 3 398.616 5.017 50 0 GKAAHN c1c2ccccc2[nH]c1CN1CCC(n2c(C3CCC3)nc3cccnc32)CC1 ZINC000012454614 221198111 /nfs/dbraw/zinc/19/81/11/221198111.db2.gz ZWJHEJWTYHYGQG-UHFFFAOYSA-N 0 3 385.515 5.017 50 0 GKAAHN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1 ZINC000013758879 221288291 /nfs/dbraw/zinc/28/82/91/221288291.db2.gz BYWHFODVRVSDOY-MDNUFGMLSA-N 0 3 385.935 5.217 50 0 GKAAHN CC(C)Oc1ccccc1OCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000013654404 221279551 /nfs/dbraw/zinc/27/95/51/221279551.db2.gz PFOJQVCDCGQMTC-UHFFFAOYSA-N 0 3 396.556 5.342 50 0 GKAAHN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2ccco2)CC1 ZINC000014966690 221322556 /nfs/dbraw/zinc/32/25/56/221322556.db2.gz KITYOUYVGUBPLY-UHFFFAOYSA-N 0 3 394.446 5.062 50 0 GKAAHN O=C(CC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)N1CCCC1 ZINC000015079378 221333117 /nfs/dbraw/zinc/33/31/17/221333117.db2.gz ONQJRSPXJULCRX-MRXNPFEDSA-N 0 3 390.980 5.169 50 0 GKAAHN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000015074593 221331600 /nfs/dbraw/zinc/33/16/00/221331600.db2.gz RNCCLBXRJOACFL-IBGZPJMESA-N 0 3 376.525 5.052 50 0 GKAAHN CC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862295 221350496 /nfs/dbraw/zinc/35/04/96/221350496.db2.gz LBCADIVVPKPLQM-UHFFFAOYSA-N 0 3 389.326 5.493 50 0 GKAAHN Fc1ccccc1CN1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072431227 136170040 /nfs/dbraw/zinc/17/00/40/136170040.db2.gz QHTVPUKJCRJMAH-UHFFFAOYSA-N 0 3 375.491 5.009 50 0 GKAAHN O=C(NCc1ccco1)c1cccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000055901230 222025121 /nfs/dbraw/zinc/02/51/21/222025121.db2.gz REPWZTOCBJTEPU-JOCHJYFZSA-N 0 3 394.902 5.104 50 0 GKAAHN CN1N=C2/C(=C/c3ccccc3)CN(Cc3ccccc3)C[C@H]2[C@H]1c1ccccc1 ZINC000063111068 222066520 /nfs/dbraw/zinc/06/65/20/222066520.db2.gz SPPOYKISQNMIHA-AOOMJTDYSA-N 0 3 393.534 5.245 50 0 GKAAHN C[C@@H](CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1)c1ccccc1 ZINC000067540747 222147828 /nfs/dbraw/zinc/14/78/28/222147828.db2.gz GCFGPHZMOXBKTO-INIZCTEOSA-N 0 3 394.902 5.106 50 0 GKAAHN CSc1ccc2cc(CN3CCC(O)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072418291 222256908 /nfs/dbraw/zinc/25/69/08/222256908.db2.gz GXBJVORCQWQJGK-UHFFFAOYSA-N 0 3 398.959 5.234 50 0 GKAAHN CSc1ccc2cc(CN3CCN(C)CC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072432576 222261493 /nfs/dbraw/zinc/26/14/93/222261493.db2.gz SFKMPGRVKJMXPG-UHFFFAOYSA-N 0 3 397.975 5.025 50 0 GKAAHN COc1ccc([C@@H]2NC[C@@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854278 222313015 /nfs/dbraw/zinc/31/30/15/222313015.db2.gz LQBLVWJDOSDWSD-DHLKQENFSA-N 0 3 397.522 5.067 50 0 GKAAHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019761360 570216775 /nfs/dbraw/zinc/21/67/75/570216775.db2.gz MRLAGAZWHNUUGA-UHFFFAOYSA-N 0 3 376.887 5.151 50 0 GKAAHN CN(C)CCOc1ccc(N[C@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000000702112 570218345 /nfs/dbraw/zinc/21/83/45/570218345.db2.gz DUBXCYUMCWFEIA-DEOSSOPVSA-N 0 3 390.552 5.434 50 0 GKAAHN CC[C@H](c1ccc(Cl)cc1)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048363744 570245171 /nfs/dbraw/zinc/24/51/71/570245171.db2.gz STWUAHKFDMGMLT-JOCHJYFZSA-N 0 3 384.951 5.005 50 0 GKAAHN Clc1ccc(-c2csc3ncnc(N4CCN(C5CCCC5)CC4)c23)cc1 ZINC000001155973 570249854 /nfs/dbraw/zinc/24/98/54/570249854.db2.gz MRZFQALXKGLFST-UHFFFAOYSA-N 0 3 398.963 5.076 50 0 GKAAHN CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000001530090 570264629 /nfs/dbraw/zinc/26/46/29/570264629.db2.gz TXUZVZSFRXZGTL-OCEACIFDSA-N 0 3 387.523 5.702 50 0 investigational GKAAHN CCOc1ccc(C2=C(CN(C)C)[C@H](c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000002060250 570272927 /nfs/dbraw/zinc/27/29/27/570272927.db2.gz WDELZKCCPVJIQH-AREMUKBSSA-N 0 3 399.534 5.891 50 0 GKAAHN CN(C)Cc1ccccc1S[C@H]1c2ccccc2CSc2ccccc21 ZINC000002193152 570278436 /nfs/dbraw/zinc/27/84/36/570278436.db2.gz HOPWSGWZUAXAKD-QHCPKHFHSA-N 0 3 377.578 6.236 50 0 GKAAHN Fc1ccccc1CNCC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002302529 570281940 /nfs/dbraw/zinc/28/19/40/570281940.db2.gz ONZSYNDJBXBYAM-FQEVSTJZSA-N 0 3 377.459 5.061 50 0 GKAAHN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034683190 570300938 /nfs/dbraw/zinc/30/09/38/570300938.db2.gz QDWMCALULPLNQX-UHFFFAOYSA-N 0 3 394.559 5.226 50 0 GKAAHN CCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000034683398 570301089 /nfs/dbraw/zinc/30/10/89/570301089.db2.gz NMZSPBUTVLDZDG-UHFFFAOYSA-N 0 3 378.560 5.273 50 0 GKAAHN C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000023280470 570353889 /nfs/dbraw/zinc/35/38/89/570353889.db2.gz IQBOMOWUKJLGPO-HNNXBMFYSA-N 0 3 382.857 5.112 50 0 GKAAHN CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652796 570389818 /nfs/dbraw/zinc/38/98/18/570389818.db2.gz LIBIPIXHWFBTLG-DQIAKDEWSA-N 0 3 392.370 6.182 50 0 GKAAHN N=C1SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1 ZINC000005017024 570397126 /nfs/dbraw/zinc/39/71/26/570397126.db2.gz LBLOJANXTVKNIY-MRXNPFEDSA-N 0 3 399.928 5.143 50 0 aggregator GKAAHN CCCCCCSc1ccc([C@@H](SCCN(C)C)c2ccccc2)cc1 ZINC000033641201 570411149 /nfs/dbraw/zinc/41/11/49/570411149.db2.gz PJNBLGOVCNGKJM-QHCPKHFHSA-N 0 3 387.658 6.743 50 0 GKAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000013002836 570414302 /nfs/dbraw/zinc/41/43/02/570414302.db2.gz HEKDAOOFNBNFSL-UHFFFAOYSA-N 0 3 396.893 5.138 50 0 GKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N([C@@H]1CC[C@H](C)C1)CC2 ZINC000005033065 570425232 /nfs/dbraw/zinc/42/52/32/570425232.db2.gz ISLQETMKIRTGFE-YWBKXGLFSA-N 0 3 385.935 5.493 50 0 GKAAHN O=C(Nc1ccccc1)C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000027367556 570433865 /nfs/dbraw/zinc/43/38/65/570433865.db2.gz LLUFPLKZMBVSAB-UHFFFAOYSA-N 0 3 384.932 5.405 50 0 GKAAHN Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)oc2cc(C)cc(C)c12 ZINC000028287348 570454088 /nfs/dbraw/zinc/45/40/88/570454088.db2.gz XAHCIALNIHNSBV-NRFANRHFSA-N 0 3 390.527 5.233 50 0 GKAAHN Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)oc2cc(C)cc(C)c12 ZINC000028287345 570454209 /nfs/dbraw/zinc/45/42/09/570454209.db2.gz XAHCIALNIHNSBV-OAQYLSRUSA-N 0 3 390.527 5.233 50 0 GKAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000028287842 570454674 /nfs/dbraw/zinc/45/46/74/570454674.db2.gz WGIZCNSDUJYBGO-LJQANCHMSA-N 0 3 396.556 5.458 50 0 GKAAHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290782 570455994 /nfs/dbraw/zinc/45/59/94/570455994.db2.gz HYABQRKGFPWEHP-FQEVSTJZSA-N 0 3 396.506 5.211 50 0 GKAAHN Cc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 ZINC000028293063 570457198 /nfs/dbraw/zinc/45/71/98/570457198.db2.gz WTZNQZXMIXOVGQ-HSZRJFAPSA-N 0 3 378.560 5.250 50 0 GKAAHN Cc1ccccc1Cn1cccc1CN(CCC(C)C)Cc1cccc(F)c1 ZINC000035841108 570463941 /nfs/dbraw/zinc/46/39/41/570463941.db2.gz MSGQARDNJNDNCF-UHFFFAOYSA-N 0 3 378.535 6.032 50 0 GKAAHN O=C(Nc1nc(-c2ccccc2)c(CN2CCCCC2)s1)c1ccccc1 ZINC000003672140 570464800 /nfs/dbraw/zinc/46/48/00/570464800.db2.gz SGAOGSALQVPIBO-UHFFFAOYSA-N 0 3 377.513 5.048 50 0 GKAAHN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C/C=C/c1ccccc1 ZINC000006554679 570475660 /nfs/dbraw/zinc/47/56/60/570475660.db2.gz YHYQZSVKBBWONV-QHQYTOEFSA-N 0 3 391.555 5.467 50 0 biogenic GKAAHN COc1cc(C)c(CN2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000006553602 570476543 /nfs/dbraw/zinc/47/65/43/570476543.db2.gz RFXVFCCYKKRPLI-UHFFFAOYSA-N 0 3 382.529 5.002 50 0 GKAAHN CC(C)(C)c1ncc(CNC[C@@](C)(O)C(c2ccccc2)c2ccccc2)s1 ZINC000072289920 570482922 /nfs/dbraw/zinc/48/29/22/570482922.db2.gz AVSSRUPUTHGFGG-XMMPIXPASA-N 0 3 394.584 5.113 50 0 GKAAHN CN(C)Cc1cccc([C@H](O)[C@@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637806 570485766 /nfs/dbraw/zinc/48/57/66/570485766.db2.gz SPLBTLHSWXXNDH-RPWUZVMVSA-N 0 3 375.537 5.219 50 0 GKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000006832744 570496305 /nfs/dbraw/zinc/49/63/05/570496305.db2.gz KSJPEQZRNDGLIS-NRFANRHFSA-N 0 3 395.934 5.084 50 0 GKAAHN CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000006882532 570498278 /nfs/dbraw/zinc/49/82/78/570498278.db2.gz PMMVOGZRBPPDRU-UHFFFAOYSA-N 0 3 382.729 5.570 50 0 GKAAHN CC(C)(C)c1cc([C@@H](c2cccs2)N2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667833 570504670 /nfs/dbraw/zinc/50/46/70/570504670.db2.gz KKRCTRJEUCMAHD-NRFANRHFSA-N 0 3 385.617 6.624 50 0 GKAAHN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000007449174 570505247 /nfs/dbraw/zinc/50/52/47/570505247.db2.gz VATFHNMFQFFSIG-UHFFFAOYSA-N 0 3 395.572 5.126 50 0 GKAAHN Cc1cc([C@@H](c2ccccc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545860 570509073 /nfs/dbraw/zinc/50/90/73/570509073.db2.gz BHZVJVWPPHWANJ-HXUWFJFHSA-N 0 3 380.513 5.477 50 0 GKAAHN CN1CCC[C@@H](COC(=O)c2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822789 570509771 /nfs/dbraw/zinc/50/97/71/570509771.db2.gz DCXDMCARLIRQIN-YOEHRIQHSA-N 0 3 383.435 5.007 50 0 GKAAHN COc1ccc(CN2CCCCC[C@@H]2c2sccc2C)c(OC)c1OC ZINC000033087130 570519612 /nfs/dbraw/zinc/51/96/12/570519612.db2.gz LYJSPIKTVLJFDM-QGZVFWFLSA-N 0 3 375.534 5.200 50 0 GKAAHN COc1ccc(CN2CCCCC[C@@H]2c2ccc(C)s2)c(OC)c1OC ZINC000033087132 570519719 /nfs/dbraw/zinc/51/97/19/570519719.db2.gz BLAFDTIQJUWGBS-QGZVFWFLSA-N 0 3 375.534 5.200 50 0 GKAAHN COc1cc(OC)c(OC)cc1CN1CCCCC[C@H]1c1sccc1C ZINC000033087177 570519733 /nfs/dbraw/zinc/51/97/33/570519733.db2.gz SQHMYRUIBKJHEV-KRWDZBQOSA-N 0 3 375.534 5.200 50 0 GKAAHN COc1ccc(-c2n[nH]cc2CN2CCCCC[C@H]2c2cccs2)cc1OC ZINC000033087079 570519842 /nfs/dbraw/zinc/51/98/42/570519842.db2.gz NANSURGIDQRDOQ-SFHVURJKSA-N 0 3 397.544 5.273 50 0 GKAAHN COc1cc(CN2CCCCC[C@H]2c2ccc(C)s2)cc(OC)c1OC ZINC000033087281 570519913 /nfs/dbraw/zinc/51/99/13/570519913.db2.gz ALOIAWSCXZGKSN-KRWDZBQOSA-N 0 3 375.534 5.200 50 0 GKAAHN COc1ccc(OC)c(-c2n[nH]cc2CN2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087088 570519943 /nfs/dbraw/zinc/51/99/43/570519943.db2.gz JINHFIWIPRSXSW-LJQANCHMSA-N 0 3 397.544 5.273 50 0 GKAAHN CC1(C)C[C@@H]([C@@H](CCNCc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672232 570529206 /nfs/dbraw/zinc/52/92/06/570529206.db2.gz ARWBNFIEFGHIQY-ICSRJNTNSA-N 0 3 386.967 5.279 50 0 GKAAHN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000036094357 570533917 /nfs/dbraw/zinc/53/39/17/570533917.db2.gz BCZVUJXTCZOTIK-AKWSJDBWSA-N 0 3 390.571 5.577 50 0 GKAAHN Clc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000006719408 570547971 /nfs/dbraw/zinc/54/79/71/570547971.db2.gz CTLQOGDOXJLDLY-LJQANCHMSA-N 0 3 379.331 5.775 50 0 GKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000034929648 570548115 /nfs/dbraw/zinc/54/81/15/570548115.db2.gz JHFZIUAARZHIIT-UHFFFAOYSA-N 0 3 381.564 5.529 50 0 GKAAHN Clc1cccc(Cl)c1OCCCCN1CCCC[C@H]1c1cccnc1 ZINC000006719396 570548140 /nfs/dbraw/zinc/54/81/40/570548140.db2.gz MDGWRMQXFLWYIR-IBGZPJMESA-N 0 3 379.331 5.775 50 0 biogenic GKAAHN Clc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000006719418 570548187 /nfs/dbraw/zinc/54/81/87/570548187.db2.gz NWFJBZAKQAMEAA-QHCPKHFHSA-N 0 3 394.946 6.274 50 0 biogenic GKAAHN CC(C)=CC(O)(C=C(C)C)c1ccc(CN(Cc2ccc(C)cc2)C(C)C)o1 ZINC000036202796 570568176 /nfs/dbraw/zinc/56/81/76/570568176.db2.gz FKJSDPNWXHBVED-UHFFFAOYSA-N 0 3 381.560 6.119 50 0 GKAAHN Cc1oc(-c2cccc(C)c2)nc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000011662564 570577407 /nfs/dbraw/zinc/57/74/07/570577407.db2.gz YMIVNLFHTRDMSO-JOCHJYFZSA-N 0 3 375.516 5.341 50 0 GKAAHN CSc1ccc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)cc1 ZINC000011784592 570582488 /nfs/dbraw/zinc/58/24/88/570582488.db2.gz RJHGIRMQXLHSIC-UHFFFAOYSA-N 0 3 377.557 5.102 50 0 GKAAHN Cc1c([C@@H](C)NCc2cc3ccccc3[nH]2)cnn1-c1cccc2ccccc21 ZINC000011818697 570585464 /nfs/dbraw/zinc/58/54/64/570585464.db2.gz DTTCOOARSDUCBZ-QGZVFWFLSA-N 0 3 380.495 5.666 50 0 GKAAHN COc1ccccc1/C=C/CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000011911678 570592419 /nfs/dbraw/zinc/59/24/19/570592419.db2.gz CXLZTINPHLPYFT-WWPOYFSUSA-N 0 3 391.490 5.117 50 0 GKAAHN CCn1c2ccccc2c2cc(NC(=O)CN[C@H]3CCCc4ccccc43)ccc21 ZINC000003288679 570601940 /nfs/dbraw/zinc/60/19/40/570601940.db2.gz SMGCMMDEJAVPAE-QHCPKHFHSA-N 0 3 397.522 5.420 50 0 GKAAHN CCOc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348019 570630905 /nfs/dbraw/zinc/63/09/05/570630905.db2.gz NHVWSCYTHXKTHZ-SANMLTNESA-N 0 3 388.555 6.006 50 0 GKAAHN O=C(CCC1CCN(Cc2cc3ccccc3o2)CC1)Nc1ccccc1Cl ZINC000012303356 570637677 /nfs/dbraw/zinc/63/76/77/570637677.db2.gz OQPDCZPARKBACC-UHFFFAOYSA-N 0 3 396.918 5.717 50 0 GKAAHN C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000229850707 570666809 /nfs/dbraw/zinc/66/68/09/570666809.db2.gz NTQGEZJOMVFLMK-DUPGQGGVSA-N 0 3 375.487 5.468 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(C)O ZINC000229937872 570667802 /nfs/dbraw/zinc/66/78/02/570667802.db2.gz LIBIPIXHWFBTLG-IOWAXREISA-N 0 3 392.370 6.182 50 0 GKAAHN O=C(CCN1CCCCC1)O[C@H]1CCCC[C@@H]1SCc1ccc(Cl)cc1 ZINC000005634256 570676874 /nfs/dbraw/zinc/67/68/74/570676874.db2.gz VAVXGZXHFVMMQV-PMACEKPBSA-N 0 3 395.996 5.304 50 0 GKAAHN CCC(C)(C)c1ccc(OC[C@H](O)CNCc2ccccc2)c(C(C)(C)CC)c1 ZINC000005645374 570679272 /nfs/dbraw/zinc/67/92/72/570679272.db2.gz ZSDQEHNBICRVES-JOCHJYFZSA-N 0 3 397.603 5.591 50 0 GKAAHN CCCCCOc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000004349357 570680959 /nfs/dbraw/zinc/68/09/59/570680959.db2.gz UYYFNPNLNGPCIY-DEOSSOPVSA-N 0 3 379.544 5.708 50 0 GKAAHN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000008863034 570683664 /nfs/dbraw/zinc/68/36/64/570683664.db2.gz ZNKBFAOYUZWGNL-GOSISDBHSA-N 0 3 396.478 5.114 50 0 GKAAHN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2Cl)CC1 ZINC000012583168 570684354 /nfs/dbraw/zinc/68/43/54/570684354.db2.gz USSNMLXXCRDXGD-UHFFFAOYSA-N 0 3 397.868 5.176 50 0 GKAAHN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1 ZINC000015953517 570685125 /nfs/dbraw/zinc/68/51/25/570685125.db2.gz ZQETVXUYNZWBDD-BQNRCHOBSA-N 0 3 377.528 5.077 50 0 biogenic GKAAHN COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C/C=C/c1ccccc1 ZINC000015953822 570685351 /nfs/dbraw/zinc/68/53/51/570685351.db2.gz CSALCCKLWJOGTI-SDSRIUJSSA-N 0 3 377.528 5.077 50 0 biogenic GKAAHN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1 ZINC000015953515 570685371 /nfs/dbraw/zinc/68/53/71/570685371.db2.gz ZQETVXUYNZWBDD-YXEVQKQUSA-N 0 3 377.528 5.077 50 0 biogenic GKAAHN CCn1c2ccccc2c2cc(CN3CCN(c4cccc(C)c4C)CC3)ccc21 ZINC000055543235 570696239 /nfs/dbraw/zinc/69/62/39/570696239.db2.gz SSEHMMVQOUIWKE-UHFFFAOYSA-N 0 3 397.566 5.753 50 0 GKAAHN CC(C)Oc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012705157 570699872 /nfs/dbraw/zinc/69/98/72/570699872.db2.gz RACBDFLDLNZJBH-LJQANCHMSA-N 0 3 398.522 5.244 50 0 GKAAHN CC(C)Oc1cccc(CNCc2c(-c3ccccc3)nc3sccn23)c1 ZINC000058148657 570711000 /nfs/dbraw/zinc/71/10/00/570711000.db2.gz QHNQHGWZAQQCBQ-UHFFFAOYSA-N 0 3 377.513 5.140 50 0 GKAAHN C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940541 570713868 /nfs/dbraw/zinc/71/38/68/570713868.db2.gz MYMZZYMNEYVILS-APPDUMDISA-N 0 3 397.733 5.641 50 0 GKAAHN CC(C)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000004379267 570722936 /nfs/dbraw/zinc/72/29/36/570722936.db2.gz ZDHFFHQPEOAVCV-UHFFFAOYSA-N 0 3 386.461 5.612 50 0 GKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCCC2)c1C ZINC000000935746 570726991 /nfs/dbraw/zinc/72/69/91/570726991.db2.gz SCNUURDAUCZNEA-HXUWFJFHSA-N 0 3 380.513 5.395 50 0 GKAAHN COc1ccc(C(=O)Nc2sc3c(c2CN2CCC(C)CC2)CCCC3)cc1 ZINC000000939382 570731405 /nfs/dbraw/zinc/73/14/05/570731405.db2.gz YGSHTUHSVIXWHN-UHFFFAOYSA-N 0 3 398.572 5.120 50 0 GKAAHN Nc1ccnc2ccc(-c3cccc(C(=O)N4CC[C@@H]5CCCC[C@H]5C4)c3)cc12 ZINC000534637875 570793527 /nfs/dbraw/zinc/79/35/27/570793527.db2.gz ZDEQUWZYVCFRCV-UWJYYQICSA-N 0 3 385.511 5.136 50 0 GKAAHN FC(F)(F)COc1cccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000065575502 570835704 /nfs/dbraw/zinc/83/57/04/570835704.db2.gz SRWAXOOQTOOUNU-INIZCTEOSA-N 0 3 390.405 5.149 50 0 GKAAHN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000004700404 570844193 /nfs/dbraw/zinc/84/41/93/570844193.db2.gz WXJYTAWKNWKDSL-UHFFFAOYSA-N 0 3 378.560 5.036 50 0 GKAAHN CC(C)n1c2ccccc2nc1[C@@H](C)NC1CCN(Cc2cccc(F)c2)CC1 ZINC000170591535 570849452 /nfs/dbraw/zinc/84/94/52/570849452.db2.gz NBAABOUCCWNHHT-GOSISDBHSA-N 0 3 394.538 5.072 50 0 GKAAHN CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004715862 570856181 /nfs/dbraw/zinc/85/61/81/570856181.db2.gz ODEDXCONQRYZQL-KRWDZBQOSA-N 0 3 398.513 5.250 50 0 GKAAHN C[C@H](NCc1ccc(OCc2cccnc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000097287456 570913980 /nfs/dbraw/zinc/91/39/80/570913980.db2.gz NDCJRBBZOLOSMV-INIZCTEOSA-N 0 3 386.417 5.530 50 0 GKAAHN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C/C=C/c1ccccc1 ZINC000004061918 570927601 /nfs/dbraw/zinc/92/76/01/570927601.db2.gz YHYQZSVKBBWONV-LQDGZISQSA-N 0 3 391.555 5.467 50 0 biogenic GKAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012689277 570949292 /nfs/dbraw/zinc/94/92/92/570949292.db2.gz RSBGLBFYLXFBPB-INIZCTEOSA-N 0 3 390.449 5.182 50 0 GKAAHN Cc1c([C@H](C)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cnn1C(C)C ZINC000252523196 570987704 /nfs/dbraw/zinc/98/77/04/570987704.db2.gz CAXLEUOBLTXRFX-INIZCTEOSA-N 0 3 394.494 5.015 50 0 GKAAHN CC[C@@H](C)c1ccc([C@H](NCc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719025 571020032 /nfs/dbraw/zinc/02/00/32/571020032.db2.gz KFLHCPYOCSFYSL-HOYKHHGWSA-N 0 3 377.532 5.003 50 0 GKAAHN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000037560637 571031795 /nfs/dbraw/zinc/03/17/95/571031795.db2.gz VOEKGEJSMWWIMX-UHFFFAOYSA-N 0 3 398.550 5.615 50 0 GKAAHN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(C)c2)CC1 ZINC000037570648 571032660 /nfs/dbraw/zinc/03/26/60/571032660.db2.gz TTXBZOBOJOEYHE-UHFFFAOYSA-N 0 3 382.523 5.240 50 0 GKAAHN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000037580756 571034417 /nfs/dbraw/zinc/03/44/17/571034417.db2.gz ZDBIDOZLTRVNGX-UHFFFAOYSA-N 0 3 398.550 5.560 50 0 GKAAHN C[C@@H]1CN(CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247238 571046081 /nfs/dbraw/zinc/04/60/81/571046081.db2.gz CCOLCOPPEFRFIM-OYRHEFFESA-N 0 3 381.560 5.281 50 0 GKAAHN C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315433 210208938 /nfs/dbraw/zinc/20/89/38/210208938.db2.gz RHIKKIUBHCLXMB-INIZCTEOSA-N 0 3 390.437 5.063 50 0 GKAAHN CCOc1ccccc1-c1nc(CN2CCC[C@H](c3ccccc3)C2)c(C)o1 ZINC000015073903 210151183 /nfs/dbraw/zinc/15/11/83/210151183.db2.gz ZQNKPBCNBNRWRT-FQEVSTJZSA-N 0 3 376.500 5.428 50 0 GKAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000229845702 222713558 /nfs/dbraw/zinc/71/35/58/222713558.db2.gz QTRIGFJYNKGEIO-ROXDYWFKSA-N 0 3 389.514 5.761 50 0 GKAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013633560 210074721 /nfs/dbraw/zinc/07/47/21/210074721.db2.gz KLOBRRLODJPCDR-XDZXDJIYSA-N 0 3 385.551 5.708 50 0 GKAAHN COc1cc(CNC2CCCCC2)c(Br)cc1OC1CCCC1 ZINC000002890183 209395867 /nfs/dbraw/zinc/39/58/67/209395867.db2.gz YVEHDJIUTXAJIU-UHFFFAOYSA-N 0 3 382.342 5.201 50 0 GKAAHN c1ccc2sc(NCCCOc3cccc(CN4CCCCC4)c3)nc2c1 ZINC000002386778 209359618 /nfs/dbraw/zinc/35/96/18/209359618.db2.gz KUBONGDXTUOOLM-UHFFFAOYSA-N 0 3 381.545 5.163 50 0 in-vitro GKAAHN O=C(c1cccc2ccccc21)N1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000001203305 209313500 /nfs/dbraw/zinc/31/35/00/209313500.db2.gz GUTAHEWRMFUMOW-UHFFFAOYSA-N 0 3 398.550 5.324 50 0 GKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCCCC2)c1C ZINC000000935749 209281190 /nfs/dbraw/zinc/28/11/90/209281190.db2.gz FXNMXVWJKSPZDY-NRFANRHFSA-N 0 3 394.540 5.786 50 0 GKAAHN Cc1ccc([C@H](N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351345 212252635 /nfs/dbraw/zinc/25/26/35/212252635.db2.gz ZLIVROVTRXNGGA-ACJLOTCBSA-N 0 3 377.315 5.370 50 0 GKAAHN COc1ccccc1C1=C(CN(C)C)[C@@H](c2ccc(C)cc2)c2ccccc2O1 ZINC000001405939 212061272 /nfs/dbraw/zinc/06/12/72/212061272.db2.gz DQTAUYVWDPRQGZ-VWLOTQADSA-N 0 3 385.507 5.501 50 0 GKAAHN CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000000902197 203863045 /nfs/dbraw/zinc/86/30/45/203863045.db2.gz TXUZVZSFRXZGTL-QPLCGJKRSA-N 0 3 387.523 5.702 50 0 world GKAAHN CCCCN(CCCC)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001925570 203923072 /nfs/dbraw/zinc/92/30/72/203923072.db2.gz NHLUEFWXIZDGPF-UHFFFAOYSA-N 0 3 398.616 6.281 50 0 GKAAHN CCCCCN(CCCCC)CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000004320321 204037620 /nfs/dbraw/zinc/03/76/20/204037620.db2.gz KZBLEFBVRQVELU-UHFFFAOYSA-N 0 3 381.564 5.344 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2ccc(F)cc2)[C@@H](C)C(C)C)c1 ZINC000004907889 204090065 /nfs/dbraw/zinc/09/00/65/204090065.db2.gz GTVALLXDVNUQPM-NRFANRHFSA-N 0 3 378.535 6.031 50 0 GKAAHN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)c1 ZINC000004908096 204090413 /nfs/dbraw/zinc/09/04/13/204090413.db2.gz DLEVSWDTWFHFOZ-QHCPKHFHSA-N 0 3 389.543 5.047 50 0 GKAAHN COc1cccc(CN(Cc2cccn2Cc2ccc(C)cc2)CC(C)C)c1 ZINC000004422289 204044608 /nfs/dbraw/zinc/04/46/08/204044608.db2.gz AFDWVGOUIRFQPH-UHFFFAOYSA-N 0 3 376.544 5.512 50 0 GKAAHN CCC[C@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652795 204059886 /nfs/dbraw/zinc/05/98/86/204059886.db2.gz LIBIPIXHWFBTLG-UVZNROCMSA-N 0 3 392.370 6.182 50 0 GKAAHN CCC[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652797 204059989 /nfs/dbraw/zinc/05/99/89/204059989.db2.gz LIBIPIXHWFBTLG-FAAFFXKRSA-N 0 3 392.370 6.182 50 0 GKAAHN CCc1ccc([C@@H](CNc2ncnc3sc4c(c32)CCCCC4)N(C)C)cc1 ZINC000006881310 204220485 /nfs/dbraw/zinc/22/04/85/204220485.db2.gz FBOMMAILBBJCEW-LJQANCHMSA-N 0 3 394.588 5.237 50 0 GKAAHN CN(C)[C@H](CNc1ncnc2cc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000008071652 204260624 /nfs/dbraw/zinc/26/06/24/204260624.db2.gz GOOZTQNVIPDOFY-LJQANCHMSA-N 0 3 392.503 5.212 50 0 GKAAHN CC(C)c1nc2cccnc2n1C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000011967079 204366028 /nfs/dbraw/zinc/36/60/28/204366028.db2.gz DURCENILNBZWKB-UHFFFAOYSA-N 0 3 390.556 5.607 50 0 GKAAHN Cc1cccc(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1 ZINC000037560679 205029752 /nfs/dbraw/zinc/02/97/52/205029752.db2.gz PXGINROOPDEDDO-UHFFFAOYSA-N 0 3 390.552 5.368 50 0 GKAAHN CCOc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042628394 205080909 /nfs/dbraw/zinc/08/09/09/205080909.db2.gz HLCLZUHHNFVHNT-KRWDZBQOSA-N 0 3 397.469 5.133 50 0 GKAAHN C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000057222628 205155716 /nfs/dbraw/zinc/15/57/16/205155716.db2.gz BCVUGELOWVRESK-IBGZPJMESA-N 0 3 377.459 5.073 50 0 GKAAHN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cccc4cnccc43)C2)c1 ZINC000014956999 205180888 /nfs/dbraw/zinc/18/08/88/205180888.db2.gz HDIOFAAHJBTHLE-QFIPXVFZSA-N 0 3 388.511 5.117 50 0 GKAAHN FC(F)(F)c1ccn(-c2ccc(CNCc3ccc4ccccc4c3)cc2)n1 ZINC000065014646 205206669 /nfs/dbraw/zinc/20/66/69/205206669.db2.gz JFZLCDSQUXDXTP-UHFFFAOYSA-N 0 3 381.401 5.334 50 0 GKAAHN COc1ccccc1CNCc1cc2ccc(F)cc2nc1-c1ccsc1 ZINC000299790231 206191509 /nfs/dbraw/zinc/19/15/09/206191509.db2.gz AVLPCCXIOMWHKY-UHFFFAOYSA-N 0 3 378.472 5.401 50 0 GKAAHN CC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004866074 206259926 /nfs/dbraw/zinc/25/99/26/206259926.db2.gz HKJVXAYMDUGIOW-PLKPRKFZSA-N 0 3 387.523 5.385 50 0 GKAAHN COc1ccc([C@H]2NC[C@@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854275 211166150 /nfs/dbraw/zinc/16/61/50/211166150.db2.gz LQBLVWJDOSDWSD-WIOPSUGQSA-N 0 3 397.522 5.067 50 0 GKAAHN CC(=O)Nc1ccc(CN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000071770736 211062666 /nfs/dbraw/zinc/06/26/66/211062666.db2.gz ULTQHSWCSYYROY-UHFFFAOYSA-N 0 3 398.550 5.689 50 0 GKAAHN CC(=C(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 ZINC000071771826 211062701 /nfs/dbraw/zinc/06/27/01/211062701.db2.gz YMSBPYCREGBACF-UHFFFAOYSA-N 0 3 390.551 8.613 50 0 GKAAHN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(Cl)c1 ZINC000017314595 207087969 /nfs/dbraw/zinc/08/79/69/207087969.db2.gz HZLWOHWYHKADMM-HNNXBMFYSA-N 0 3 399.321 6.097 50 0 GKAAHN c1ccc(CCCN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889682 207167995 /nfs/dbraw/zinc/16/79/95/207167995.db2.gz CSDWAWHUPSSWKC-UHFFFAOYSA-N 0 3 386.539 5.229 50 0 GKAAHN CC(C)(C)N1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802398 207163036 /nfs/dbraw/zinc/16/30/36/207163036.db2.gz BEIMITMVQGQSKU-IBGZPJMESA-N 0 3 386.992 5.505 50 0 GKAAHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)s1 ZINC000019800166 207163402 /nfs/dbraw/zinc/16/34/02/207163402.db2.gz MGJGRPFSWUFVLX-UHFFFAOYSA-N 0 3 397.569 5.031 50 0 GKAAHN Cc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000020365327 207189660 /nfs/dbraw/zinc/18/96/60/207189660.db2.gz FNDYZSXDLYDYHL-UHFFFAOYSA-N 0 3 386.322 5.328 50 0 GKAAHN Cc1ccc(COc2ccc3ccccc3c2CNC[C@@H](O)c2ccccc2)cc1 ZINC000020874233 207216658 /nfs/dbraw/zinc/21/66/58/207216658.db2.gz AWAOTMJXYPXHKO-AREMUKBSSA-N 0 3 397.518 5.550 50 0 GKAAHN CO[C@@H](CNCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000020910652 207219562 /nfs/dbraw/zinc/21/95/62/207219562.db2.gz PLMNYDHJBQDLCJ-NRFANRHFSA-N 0 3 389.524 5.283 50 0 GKAAHN CCOc1cccc(CN2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000022657522 207257897 /nfs/dbraw/zinc/25/78/97/207257897.db2.gz CBGCCKWMWBWCEU-UHFFFAOYSA-N 0 3 385.551 6.207 50 0 GKAAHN C[N@H+](Cc1ccc(-c2nc(C(F)F)cc(=O)[n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000023129408 207270748 /nfs/dbraw/zinc/27/07/48/207270748.db2.gz UHCPHOMBDIEYGJ-HXUWFJFHSA-N 0 3 395.453 5.296 50 0 GKAAHN C[N@@H+](Cc1ccc(-c2nc(C(F)F)cc(=O)[n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000023129408 207270752 /nfs/dbraw/zinc/27/07/52/207270752.db2.gz UHCPHOMBDIEYGJ-HXUWFJFHSA-N 0 3 395.453 5.296 50 0 GKAAHN CC1(C)CC(=O)C[C@@]2(C1)NC[C@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908178 207284004 /nfs/dbraw/zinc/28/40/04/207284004.db2.gz YDXXMDROEYQMOS-KOSHJBKYSA-N 0 3 392.930 5.531 50 0 GKAAHN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027664675 207328664 /nfs/dbraw/zinc/32/86/64/207328664.db2.gz LOSLQJQKJGOQLO-SFHVURJKSA-N 0 3 382.529 5.150 50 0 GKAAHN Brc1ccccc1-c1nnc(CN(CC2CC2)C2CCCCC2)o1 ZINC000084514877 208090498 /nfs/dbraw/zinc/09/04/98/208090498.db2.gz FCBGLIWZZQMURS-UHFFFAOYSA-N 0 3 390.325 5.044 50 0 GKAAHN CC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637218 208395951 /nfs/dbraw/zinc/39/59/51/208395951.db2.gz JEKQPZGODPLINH-WSOYEBOPSA-N 0 3 375.487 5.515 50 0 GKAAHN C[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872080 210305559 /nfs/dbraw/zinc/30/55/59/210305559.db2.gz BJMUGVJXKMIWFB-GAJHUEQPSA-N 0 3 381.903 5.131 50 0 GKAAHN c1ccc(Oc2cccc(OCCCN3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000008792599 221060309 /nfs/dbraw/zinc/06/03/09/221060309.db2.gz HTAFICSOXNYDIV-RUZDIDTESA-N 0 3 388.511 5.870 50 0 biogenic GKAAHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000008474352 221042224 /nfs/dbraw/zinc/04/22/24/221042224.db2.gz ZNGKORKQRLKKFW-UHFFFAOYSA-N 0 3 399.893 5.399 50 0 GKAAHN COc1ccccc1NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000010060504 221096392 /nfs/dbraw/zinc/09/63/92/221096392.db2.gz WZRVSNVLBFVHIG-UHFFFAOYSA-N 0 3 388.511 5.564 50 0 GKAAHN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NCc2cc3ccccc3[nH]2)C1 ZINC000011818317 221127919 /nfs/dbraw/zinc/12/79/19/221127919.db2.gz ZTBOJCYKMUSQMH-JOCHJYFZSA-N 0 3 388.490 5.296 50 0 GKAAHN CSc1ccc(CN2CCC3(C[C@H]3C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000012037705 221144754 /nfs/dbraw/zinc/14/47/54/221144754.db2.gz MPJYYXWLRMMEOE-QFIPXVFZSA-N 0 3 398.616 5.017 50 0 GKAAHN CSc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012112177 221150902 /nfs/dbraw/zinc/15/09/02/221150902.db2.gz HHTPTPCWCRDADW-QGZVFWFLSA-N 0 3 386.536 5.179 50 0 GKAAHN CSc1cccc(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012431024 221192211 /nfs/dbraw/zinc/19/22/11/221192211.db2.gz AADDJWQPMVTQBM-NRFANRHFSA-N 0 3 377.557 5.378 50 0 GKAAHN CCOc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012586853 221211749 /nfs/dbraw/zinc/21/17/49/221211749.db2.gz KISUAUUVANHVEN-LJQANCHMSA-N 0 3 398.522 5.164 50 0 GKAAHN Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000014882700 221317733 /nfs/dbraw/zinc/31/77/33/221317733.db2.gz AJQUHCRQQZGNIS-IBGZPJMESA-N 0 3 379.454 5.110 50 0 GKAAHN Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccc(Cl)cc3)c2)cc1 ZINC000017315161 221383660 /nfs/dbraw/zinc/38/36/60/221383660.db2.gz ITONOQKRIJLNAA-KRWDZBQOSA-N 0 3 378.903 5.752 50 0 GKAAHN c1ccc(CN(Cc2ccccc2)Cn2c3ccccc3c3ccccc32)cc1 ZINC000019791118 221454139 /nfs/dbraw/zinc/45/41/39/221454139.db2.gz UASZOYKBIBQHHT-UHFFFAOYSA-N 0 3 376.503 6.454 50 0 GKAAHN CCc1ccc(-c2nc3ccccn3c2CNCc2cccc(Cl)c2)cc1 ZINC000063666735 222067380 /nfs/dbraw/zinc/06/73/80/222067380.db2.gz WMHIICDIBPUSSI-UHFFFAOYSA-N 0 3 375.903 5.507 50 0 GKAAHN CN1CCC(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000065365882 222124786 /nfs/dbraw/zinc/12/47/86/222124786.db2.gz QVPFNRUSJCALRT-UHFFFAOYSA-N 0 3 386.495 5.079 50 0 GKAAHN Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000067871717 222165048 /nfs/dbraw/zinc/16/50/48/222165048.db2.gz XKJBQWRPRBZNAO-LJQANCHMSA-N 0 3 395.934 5.686 50 0 GKAAHN Cc1cccc2cc(CN3CCC[C@H]3c3ccccn3)c(-c3cccs3)nc12 ZINC000072430573 222259751 /nfs/dbraw/zinc/25/97/51/222259751.db2.gz IRVXWPYQTNHSGF-NRFANRHFSA-N 0 3 385.536 6.004 50 0 GKAAHN COc1cc2c(cc1OC)C1(CCCCC1)CN(CCCc1ccccc1)C2 ZINC000000755137 570222459 /nfs/dbraw/zinc/22/24/59/570222459.db2.gz BHSKJTRDRSIRGF-UHFFFAOYSA-N 0 3 379.544 5.354 50 0 GKAAHN Cc1cccc(CN(C)CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000085406285 570225709 /nfs/dbraw/zinc/22/57/09/570225709.db2.gz ORPXSOIWLSNRCR-DEOSSOPVSA-N 0 3 379.931 5.886 50 0 GKAAHN c1ccc(CN[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889243 570227846 /nfs/dbraw/zinc/22/78/46/570227846.db2.gz KIBCXFHHZDMDON-SVBPBHIXSA-N 0 3 395.571 7.051 50 0 GKAAHN c1ccc(CN[C@@H](c2ccccc2)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889249 570228078 /nfs/dbraw/zinc/22/80/78/570228078.db2.gz KIBCXFHHZDMDON-RRPNLBNLSA-N 0 3 395.571 7.051 50 0 GKAAHN CCc1cccc(C)c1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019897182 570228504 /nfs/dbraw/zinc/22/85/04/570228504.db2.gz SHOJTIXYLTWTNM-UHFFFAOYSA-N 0 3 384.523 5.368 50 0 GKAAHN COc1ccc(F)c(-c2nc(CN3CCC[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020534571 570265726 /nfs/dbraw/zinc/26/57/26/570265726.db2.gz MWYHHZQJYKGZMG-GOSISDBHSA-N 0 3 380.463 5.177 50 0 GKAAHN Fc1ccccc1CN1CCC(c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000005762760 570275935 /nfs/dbraw/zinc/27/59/35/570275935.db2.gz HCTJWVRBOHMTDG-UHFFFAOYSA-N 0 3 385.486 5.749 50 0 GKAAHN COc1ccc(Br)cc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC000002498125 570288463 /nfs/dbraw/zinc/28/84/63/570288463.db2.gz JNEAISRLICOGTJ-UHFFFAOYSA-N 0 3 384.317 5.018 50 0 GKAAHN C[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012915389 570292659 /nfs/dbraw/zinc/29/26/59/570292659.db2.gz KHIVLOKLTVAYNO-MRXNPFEDSA-N 0 3 398.428 5.809 50 0 GKAAHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000012918802 570293386 /nfs/dbraw/zinc/29/33/86/570293386.db2.gz VXDCRVJCAPDWCZ-ZJUUUORDSA-N 0 3 376.831 5.098 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)cc1C ZINC000034683544 570301505 /nfs/dbraw/zinc/30/15/05/570301505.db2.gz WRZUDLUMAQKXHE-UHFFFAOYSA-N 0 3 396.550 5.486 50 0 GKAAHN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C1CCC(C)CC1)CC2 ZINC000022023275 570302136 /nfs/dbraw/zinc/30/21/36/570302136.db2.gz MHNDOIQKQODLFA-XWKHCGOCSA-N 0 3 399.962 5.883 50 0 GKAAHN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000002841090 570307077 /nfs/dbraw/zinc/30/70/77/570307077.db2.gz NPKDDVMQSKZDNJ-UHFFFAOYSA-N 0 3 393.314 5.240 50 0 GKAAHN Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)c1 ZINC000004908102 570361811 /nfs/dbraw/zinc/36/18/11/570361811.db2.gz DLEVSWDTWFHFOZ-HSZRJFAPSA-N 0 3 389.543 5.047 50 0 GKAAHN CC(C)(C)c1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2s1 ZINC000004324162 570367910 /nfs/dbraw/zinc/36/79/10/570367910.db2.gz IKZMIJXXDQAPFB-UHFFFAOYSA-N 0 3 380.561 5.065 50 0 GKAAHN C(CN(CCOC1CCCCC1)CCOC1CCCCC1)OC1CCCCC1 ZINC000004401480 570373576 /nfs/dbraw/zinc/37/35/76/570373576.db2.gz VLOHFUHSNQIDGX-UHFFFAOYSA-N 0 3 395.628 5.336 50 0 GKAAHN COc1cc(CN[C@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C ZINC000025259816 570409653 /nfs/dbraw/zinc/40/96/53/570409653.db2.gz BAEGVDMYYOPHDS-QFIPXVFZSA-N 0 3 392.499 5.046 50 0 GKAAHN Clc1ccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426276 570413647 /nfs/dbraw/zinc/41/36/47/570413647.db2.gz SJUNBXNHZLULCE-AVRDEDQJSA-N 0 3 393.317 6.299 50 0 GKAAHN CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000514251354 570416349 /nfs/dbraw/zinc/41/63/49/570416349.db2.gz OELOQGLQVOOVCP-UHFFFAOYSA-N 0 3 398.594 5.891 50 0 GKAAHN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 ZINC000005151790 570428737 /nfs/dbraw/zinc/42/87/37/570428737.db2.gz BYWHFODVRVSDOY-WWNPGLIZSA-N 0 3 385.935 5.217 50 0 GKAAHN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028291261 570456116 /nfs/dbraw/zinc/45/61/16/570456116.db2.gz OXMKHNFFTXJHDU-OAQYLSRUSA-N 0 3 392.543 5.380 50 0 GKAAHN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028291259 570456148 /nfs/dbraw/zinc/45/61/48/570456148.db2.gz OXMKHNFFTXJHDU-NRFANRHFSA-N 0 3 392.543 5.380 50 0 GKAAHN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000028293597 570457185 /nfs/dbraw/zinc/45/71/85/570457185.db2.gz WPEQMQSKWGIJPC-IBGZPJMESA-N 0 3 396.556 5.458 50 0 GKAAHN COc1cccc(Cn2cccc2CN(Cc2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000035841131 570463754 /nfs/dbraw/zinc/46/37/54/570463754.db2.gz RJUWEINDXJCZCM-HXUWFJFHSA-N 0 3 394.534 5.731 50 0 GKAAHN Cc1cccc(CN(CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)c1 ZINC000035843760 570463904 /nfs/dbraw/zinc/46/39/04/570463904.db2.gz GBDZVIZLEKQVOD-UHFFFAOYSA-N 0 3 378.535 6.032 50 0 GKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843770 570464345 /nfs/dbraw/zinc/46/43/45/570464345.db2.gz AHYISSHOCDSJBD-IBGZPJMESA-N 0 3 398.953 6.376 50 0 GKAAHN Clc1ccc(OCCCCCCNCc2ccco2)c(Br)c1 ZINC000006527055 570465863 /nfs/dbraw/zinc/46/58/63/570465863.db2.gz JBJQDYURFTWJJE-UHFFFAOYSA-N 0 3 386.717 5.425 50 0 GKAAHN c1ccc(CN2CCC(Nc3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000006529782 570467103 /nfs/dbraw/zinc/46/71/03/570467103.db2.gz YPLQRLFGAHJJMA-UHFFFAOYSA-N 0 3 394.522 5.373 50 0 GKAAHN COc1ccc2nc(C)cc(N3CCC[C@@H]3c3nc4ccccc4s3)c2c1 ZINC000006558770 570477332 /nfs/dbraw/zinc/47/73/32/570477332.db2.gz DVXRUHDGQZVFTR-LJQANCHMSA-N 0 3 375.497 5.503 50 0 GKAAHN CC(C)(C)c1ncc(CNC[C@](C)(O)C(c2ccccc2)c2ccccc2)s1 ZINC000072289919 570482967 /nfs/dbraw/zinc/48/29/67/570482967.db2.gz AVSSRUPUTHGFGG-DEOSSOPVSA-N 0 3 394.584 5.113 50 0 GKAAHN CN(C)Cc1cccc([C@@H](O)[C@@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637813 570485882 /nfs/dbraw/zinc/48/58/82/570485882.db2.gz SPLBTLHSWXXNDH-DNQXCXABSA-N 0 3 375.537 5.219 50 0 GKAAHN CN1CCC([C@@H]2Sc3ccccc3Oc3ccc(C(F)(F)F)cc32)CC1 ZINC000033885029 570491695 /nfs/dbraw/zinc/49/16/95/570491695.db2.gz DIHFQNZHVKVWQZ-IBGZPJMESA-N 0 3 379.447 5.986 50 0 GKAAHN CC(C)(C)c1cc([C@H](c2cccs2)N2CCCCC2)cc(C(C)(C)C)c1O ZINC000002667834 570504325 /nfs/dbraw/zinc/50/43/25/570504325.db2.gz KKRCTRJEUCMAHD-OAQYLSRUSA-N 0 3 385.617 6.624 50 0 GKAAHN CCCc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000006624473 570508565 /nfs/dbraw/zinc/50/85/65/570508565.db2.gz QROSJJZDPVLDOR-QFIPXVFZSA-N 0 3 382.548 5.429 50 0 biogenic GKAAHN CC1(C)C[C@@H]([C@H](CCNCc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672237 570528901 /nfs/dbraw/zinc/52/89/01/570528901.db2.gz ARWBNFIEFGHIQY-QUCCMNQESA-N 0 3 386.967 5.279 50 0 GKAAHN CC1(C)C[C@H]([C@H](CCNCc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672235 570529162 /nfs/dbraw/zinc/52/91/62/570529162.db2.gz ARWBNFIEFGHIQY-UYAOXDASSA-N 0 3 386.967 5.279 50 0 GKAAHN O[C@@H](CNCc1c(OCc2ccccc2)ccc2ccccc21)c1ccccc1 ZINC000009225037 570552592 /nfs/dbraw/zinc/55/25/92/570552592.db2.gz SSIYPAHHMJMQFK-VWLOTQADSA-N 0 3 383.491 5.242 50 0 GKAAHN COc1ccc2oc(=O)cc(CN(Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@H]3C)c2c1 ZINC000006743183 570564548 /nfs/dbraw/zinc/56/45/48/570564548.db2.gz DUYKSUKMPDEBPO-DRSNIGMVSA-N 0 3 395.499 5.222 50 0 GKAAHN CC[C@H](C)NC(=O)[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000169677959 570599779 /nfs/dbraw/zinc/59/97/79/570599779.db2.gz VVJMFUZZRXYGJP-XJABCFGWSA-N 0 3 384.951 5.208 50 0 GKAAHN CSc1ccc2cc(CNCc3ccc(F)cc3)c(-c3cccs3)nc2c1 ZINC000012148756 570618191 /nfs/dbraw/zinc/61/81/91/570618191.db2.gz VWYPKKWUEFMLJH-UHFFFAOYSA-N 0 3 394.540 6.114 50 0 GKAAHN CCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000042628395 570621403 /nfs/dbraw/zinc/62/14/03/570621403.db2.gz HLCLZUHHNFVHNT-QGZVFWFLSA-N 0 3 397.469 5.133 50 0 GKAAHN CCOc1ccccc1CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000043022930 570624832 /nfs/dbraw/zinc/62/48/32/570624832.db2.gz OCZBVWSYHBTDIZ-SFHVURJKSA-N 0 3 397.469 5.133 50 0 GKAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000012449985 570668243 /nfs/dbraw/zinc/66/82/43/570668243.db2.gz HQYWXMMMOIOFQI-UHFFFAOYSA-N 0 3 394.902 5.086 50 0 GKAAHN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1cccc(F)c1 ZINC000013769852 570677206 /nfs/dbraw/zinc/67/72/06/570677206.db2.gz UCEGOWGVZLOCAE-GMKZXUHWSA-N 0 3 383.507 5.093 50 0 GKAAHN O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008863157 570683646 /nfs/dbraw/zinc/68/36/46/570683646.db2.gz MWUZPTKEYNTDEU-QHCPKHFHSA-N 0 3 392.568 5.177 50 0 GKAAHN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C/C=C/c1ccccc1 ZINC000015953824 570685364 /nfs/dbraw/zinc/68/53/64/570685364.db2.gz CSALCCKLWJOGTI-HIZRFUARSA-N 0 3 377.528 5.077 50 0 biogenic GKAAHN O=C(CC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)Nc1ccccc1F ZINC000012710572 570702111 /nfs/dbraw/zinc/70/21/11/570702111.db2.gz LTMDIRPJABLZRZ-KRWDZBQOSA-N 0 3 380.463 5.203 50 0 GKAAHN COCC[C@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000012711737 570702717 /nfs/dbraw/zinc/70/27/17/570702717.db2.gz TUJQLMIDJXOYAJ-QGZVFWFLSA-N 0 3 382.426 5.060 50 0 GKAAHN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000017315173 570703571 /nfs/dbraw/zinc/70/35/71/570703571.db2.gz DOMFHQNAJIZMHP-HNNXBMFYSA-N 0 3 399.321 6.097 50 0 GKAAHN C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940553 570713849 /nfs/dbraw/zinc/71/38/49/570713849.db2.gz MYMZZYMNEYVILS-DIFFPNOSSA-N 0 3 397.733 5.641 50 0 GKAAHN c1ccc(Oc2ccc(CNCc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000164880575 570735714 /nfs/dbraw/zinc/73/57/14/570735714.db2.gz BKLFLFKZOAWDRS-UHFFFAOYSA-N 0 3 381.475 6.561 50 0 GKAAHN CN(C)CCOC(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000007078405 570785223 /nfs/dbraw/zinc/78/52/23/570785223.db2.gz PLESHYJZQWDZII-UHFFFAOYSA-N 0 3 393.141 5.968 50 0 GKAAHN CC(C)c1ccccc1NC(=O)CCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000244898805 570786752 /nfs/dbraw/zinc/78/67/52/570786752.db2.gz ZBXZUUWKYKVXNO-UHFFFAOYSA-N 0 3 378.438 5.289 50 0 GKAAHN Clc1ccc2scc(CN(Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000068677066 570801189 /nfs/dbraw/zinc/80/11/89/570801189.db2.gz RAJWHJZUVJSWSJ-UHFFFAOYSA-N 0 3 377.940 6.757 50 0 GKAAHN FC(F)(F)COc1cccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000065575501 570835516 /nfs/dbraw/zinc/83/55/16/570835516.db2.gz SRWAXOOQTOOUNU-MRXNPFEDSA-N 0 3 390.405 5.149 50 0 GKAAHN Clc1ccc(CCN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1 ZINC000004699224 570843712 /nfs/dbraw/zinc/84/37/12/570843712.db2.gz KXVQINXZGOFKNT-FNCQTZNRSA-N 0 3 387.954 6.611 50 0 GKAAHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NC1CCCC1)c1ccccc1 ZINC000003332764 570857990 /nfs/dbraw/zinc/85/79/90/570857990.db2.gz LNWYFYUFVULNMQ-GOSISDBHSA-N 0 3 396.840 5.571 50 0 GKAAHN COc1ccc2oc(=O)cc(CN(Cc3ccco3)[C@@H]3CCC[C@H](C)[C@@H]3C)c2c1 ZINC000103686430 570888273 /nfs/dbraw/zinc/88/82/73/570888273.db2.gz DUYKSUKMPDEBPO-PNLZDCPESA-N 0 3 395.499 5.222 50 0 GKAAHN Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000051329994 570923623 /nfs/dbraw/zinc/92/36/23/570923623.db2.gz QRKHRSFRLGQSPJ-HSZRJFAPSA-N 0 3 389.543 5.047 50 0 GKAAHN CN(CCOCCOc1cccc(Oc2ccccc2)c1)Cc1ccccc1 ZINC000002822040 570933201 /nfs/dbraw/zinc/93/32/01/570933201.db2.gz JFQVOHHXNBNTEE-UHFFFAOYSA-N 0 3 377.484 5.006 50 0 GKAAHN Cc1nc2sc(C3=NC4(CCCC4)Cc4ccccc43)c(N)c2c(C)c1Cl ZINC000001425189 570999820 /nfs/dbraw/zinc/99/98/20/570999820.db2.gz GFRQYHOIOOCUNA-UHFFFAOYSA-N 0 3 395.959 5.855 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000037559464 571031207 /nfs/dbraw/zinc/03/12/07/571031207.db2.gz ASHOALLFIFVZSQ-UHFFFAOYSA-N 0 3 398.550 5.615 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccco3)c3ccc(F)cc3)CC2)cc1 ZINC000037559551 571031236 /nfs/dbraw/zinc/03/12/36/571031236.db2.gz LUWQDFMGBXZLAJ-UHFFFAOYSA-N 0 3 392.474 5.039 50 0 GKAAHN CC(C)[C@@H]([NH2+][C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000012786587 571039302 /nfs/dbraw/zinc/03/93/02/571039302.db2.gz XHWOGEAKYCOZDM-AUUYWEPGSA-N 0 3 393.512 5.293 50 0 GKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000016477716 210190161 /nfs/dbraw/zinc/19/01/61/210190161.db2.gz NSFHMXPBPFYEHN-UHFFFAOYSA-N 0 3 384.523 5.443 50 0 GKAAHN CC(C)[C@H]([NH2+][C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000012786590 210009072 /nfs/dbraw/zinc/00/90/72/210009072.db2.gz XHWOGEAKYCOZDM-KUHUBIRLSA-N 0 3 393.512 5.293 50 0 GKAAHN CC[C@H](C)c1ccc([C@H](NCc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719027 209742256 /nfs/dbraw/zinc/74/22/56/209742256.db2.gz KFLHCPYOCSFYSL-MHECFPHRSA-N 0 3 377.532 5.003 50 0 GKAAHN CC1CCN([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 ZINC000002708333 209377883 /nfs/dbraw/zinc/37/78/83/209377883.db2.gz UXXHOPRBEMDSNW-HSZRJFAPSA-N 0 3 394.603 6.204 50 0 GKAAHN CN(C)Cc1cccc(S[C@@H]2c3ccccc3CSc3ccccc32)c1 ZINC000002049817 212262073 /nfs/dbraw/zinc/26/20/73/212262073.db2.gz UJAJAALVVRGPJM-HSZRJFAPSA-N 0 3 377.578 6.236 50 0 GKAAHN CCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004109022 204027561 /nfs/dbraw/zinc/02/75/61/204027561.db2.gz UJRIBUDZMNUBLS-JDGBCZCZSA-N 0 3 383.532 5.037 50 0 GKAAHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000004424044 204044483 /nfs/dbraw/zinc/04/44/83/204044483.db2.gz DRYQTNXMKBICIH-YWAOTASRSA-N 0 3 393.615 6.826 50 0 GKAAHN CCCCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000004424042 204045132 /nfs/dbraw/zinc/04/51/32/204045132.db2.gz DRYQTNXMKBICIH-ZPOGELFWSA-N 0 3 393.615 6.826 50 0 GKAAHN Cc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005112009 204112413 /nfs/dbraw/zinc/11/24/13/204112413.db2.gz JVWWXYXUTLHZCP-UHFFFAOYSA-N 0 3 398.550 5.702 50 0 GKAAHN COc1ccccc1[C@]1(CCNCc2ccccc2F)CCO[C@H](C(C)C)C1 ZINC000005025034 204103728 /nfs/dbraw/zinc/10/37/28/204103728.db2.gz KCYOBLYWPXGPGW-BJKOFHAPSA-N 0 3 385.523 5.087 50 0 GKAAHN CC1(C)C[C@](CCNCc2ccccc2F)(Cc2ccccc2Cl)CCO1 ZINC000005477667 204135033 /nfs/dbraw/zinc/13/50/33/204135033.db2.gz WITICCPQQTXLKK-QHCPKHFHSA-N 0 3 389.942 5.777 50 0 GKAAHN Clc1ccc([C@@H](CCNCc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000006671606 204192077 /nfs/dbraw/zinc/19/20/77/204192077.db2.gz MOHFPJIHRKYFIJ-SFHVURJKSA-N 0 3 385.338 5.895 50 0 GKAAHN Clc1c(OCCCN2CCCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000006673529 204192182 /nfs/dbraw/zinc/19/21/82/204192182.db2.gz ZTUZPMLGGLBHHW-NRFANRHFSA-N 0 3 380.919 5.884 50 0 biogenic GKAAHN CN(C)[C@@H](CNc1ncnc2cc(-c3ccc(F)cc3)sc21)c1ccccc1 ZINC000008071650 204260531 /nfs/dbraw/zinc/26/05/31/204260531.db2.gz GOOZTQNVIPDOFY-IBGZPJMESA-N 0 3 392.503 5.212 50 0 GKAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000008327570 204271506 /nfs/dbraw/zinc/27/15/06/204271506.db2.gz TVNSGZUKFMPMEP-HNNXBMFYSA-N 0 3 384.332 5.014 50 0 GKAAHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)o1 ZINC000011933199 204363064 /nfs/dbraw/zinc/36/30/64/204363064.db2.gz DLLWTDLMRDSSAG-UHFFFAOYSA-N 0 3 392.474 5.245 50 0 GKAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347366 205012587 /nfs/dbraw/zinc/01/25/87/205012587.db2.gz OEZXXYLOFCVQJO-QFIPXVFZSA-N 0 3 384.445 5.811 50 0 GKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(CC1CCCCC1)CC2 ZINC000049590037 205129190 /nfs/dbraw/zinc/12/91/90/205129190.db2.gz GUOBFSYQCIFNOW-DEOSSOPVSA-N 0 3 399.962 5.885 50 0 GKAAHN Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000067871719 205264991 /nfs/dbraw/zinc/26/49/91/205264991.db2.gz XKJBQWRPRBZNAO-IBGZPJMESA-N 0 3 395.934 5.686 50 0 GKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCCCC2)c1C ZINC000000935748 206334553 /nfs/dbraw/zinc/33/45/53/206334553.db2.gz FXNMXVWJKSPZDY-OAQYLSRUSA-N 0 3 394.540 5.786 50 0 GKAAHN Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000010351344 206388374 /nfs/dbraw/zinc/38/83/74/206388374.db2.gz ZLIVROVTRXNGGA-SCLBCKFNSA-N 0 3 377.315 5.370 50 0 GKAAHN c1cc(C2CCCCCCCCCCC2)cc2c3c4n(c12)CCN[C@H]4CCC3 ZINC000002075323 206397352 /nfs/dbraw/zinc/39/73/52/206397352.db2.gz AXJVCYHYSUEQAL-DEOSSOPVSA-N 0 3 378.604 7.010 50 0 GKAAHN O=C(Nc1cccc(/C=C\c2ccccn2)c1)c1ccc(CN2CCCCC2)cc1 ZINC000096935582 211353572 /nfs/dbraw/zinc/35/35/72/211353572.db2.gz WYCGDPKLVLKNDB-QINSGFPZSA-N 0 3 397.522 5.490 50 0 GKAAHN c1[nH]nc(-c2cc3ccccc3o2)c1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012434047 206896273 /nfs/dbraw/zinc/89/62/73/206896273.db2.gz QLYZUMVQWGNWMK-UHFFFAOYSA-N 0 3 397.482 5.079 50 0 GKAAHN O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040830132 210794882 /nfs/dbraw/zinc/79/48/82/210794882.db2.gz XOYOWXXIKWPXFC-UHFFFAOYSA-N 0 3 396.412 5.270 50 0 GKAAHN Cc1ccc(-c2n[nH]cc2CN(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000019722205 207155350 /nfs/dbraw/zinc/15/53/50/207155350.db2.gz XPNHPSJTBBRLGC-UHFFFAOYSA-N 0 3 381.523 5.630 50 0 GKAAHN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019812464 207163423 /nfs/dbraw/zinc/16/34/23/207163423.db2.gz ZAUIHZXISSKUBM-UHFFFAOYSA-N 0 3 390.914 5.459 50 0 GKAAHN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCCC[C@@H]1CCCO ZINC000020352092 207187961 /nfs/dbraw/zinc/18/79/61/207187961.db2.gz UZFWXETYXGFITF-HSZRJFAPSA-N 0 3 390.527 5.444 50 0 GKAAHN Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020507244 207199188 /nfs/dbraw/zinc/19/91/88/207199188.db2.gz CKGRVFXTUYWZRJ-DEOSSOPVSA-N 0 3 387.552 5.449 50 0 GKAAHN c1coc([C@H](CNCc2ccc(-c3nc4ccccc4s3)o2)N2CCCC2)c1 ZINC000022804508 207261262 /nfs/dbraw/zinc/26/12/62/207261262.db2.gz OOOQUABSQNISHT-SFHVURJKSA-N 0 3 393.512 5.076 50 0 GKAAHN Cc1cccc2cc(CN3CCC(c4ccncc4)CC3)c(-c3cccs3)nc12 ZINC000072409562 208016153 /nfs/dbraw/zinc/01/61/53/208016153.db2.gz LORMRJUWOPHCFK-UHFFFAOYSA-N 0 3 399.563 6.046 50 0 GKAAHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000079054166 208070966 /nfs/dbraw/zinc/07/09/66/208070966.db2.gz OHAHMTGUGICAAO-UHFFFAOYSA-N 0 3 385.558 5.072 50 0 GKAAHN COc1ccc([C@@H]2NC[C@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854279 208085529 /nfs/dbraw/zinc/08/55/29/208085529.db2.gz LQBLVWJDOSDWSD-RDGATRHJSA-N 0 3 397.522 5.067 50 0 GKAAHN Clc1ccc(OCCCN2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000008742590 221054359 /nfs/dbraw/zinc/05/43/59/221054359.db2.gz LBPIAAWOVWKQMR-JOCHJYFZSA-N 0 3 380.919 5.884 50 0 biogenic GKAAHN OCC1(Cc2ccccc2C(F)(F)F)CCN(C/C=C/c2ccccc2)CC1 ZINC000011770229 221124986 /nfs/dbraw/zinc/12/49/86/221124986.db2.gz PVHCKAJGOVDBNA-RMKNXTFCSA-N 0 3 389.461 5.036 50 0 GKAAHN COc1cccc(NC(=O)CCC2CCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000012713688 221220628 /nfs/dbraw/zinc/22/06/28/221220628.db2.gz WZTYONXWRUWXLX-UHFFFAOYSA-N 0 3 392.499 5.072 50 0 GKAAHN Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000014882699 221317556 /nfs/dbraw/zinc/31/75/56/221317556.db2.gz AJQUHCRQQZGNIS-LJQANCHMSA-N 0 3 379.454 5.110 50 0 GKAAHN CSc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cc1 ZINC000015003820 221326637 /nfs/dbraw/zinc/32/66/37/221326637.db2.gz RZYVGFWEPYTLIZ-SFHVURJKSA-N 0 3 381.520 5.317 50 0 GKAAHN Cc1scc(CN2CCN(c3ccc(F)cc3)CC2)c1-c1ccc(C)cc1 ZINC000057992740 136154259 /nfs/dbraw/zinc/15/42/59/136154259.db2.gz YUMUWWDAUURFHD-UHFFFAOYSA-N 0 3 380.532 5.493 50 0 GKAAHN CCCCc1ncc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)[nH]1 ZINC000055182586 222016565 /nfs/dbraw/zinc/01/65/65/222016565.db2.gz LRPVEPDPDSOSRE-KRWDZBQOSA-N 0 3 387.531 5.250 50 0 GKAAHN c1coc(-c2c(-c3ccccc3)ncn2C2CCN(Cc3ccccn3)CC2)c1 ZINC000065408765 222127442 /nfs/dbraw/zinc/12/74/42/222127442.db2.gz FTSDHGLEEJWQBI-UHFFFAOYSA-N 0 3 384.483 5.042 50 0 GKAAHN c1nc(-c2ccccc2)c(-c2cnc3ccccc3c2)n1[C@@H]1CN2CCC1CC2 ZINC000065405252 222128559 /nfs/dbraw/zinc/12/85/59/222128559.db2.gz YEZAFGDYOSQIEO-HSZRJFAPSA-N 0 3 380.495 5.032 50 0 GKAAHN CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000096148334 570214464 /nfs/dbraw/zinc/21/44/64/570214464.db2.gz MYPVTSXGBOUIED-HXUWFJFHSA-N 0 3 383.561 5.229 50 0 GKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)N2CCCC2)c1C ZINC000001448829 570225421 /nfs/dbraw/zinc/22/54/21/570225421.db2.gz WVKIMDKEZLQJJN-NRFANRHFSA-N 0 3 394.540 5.704 50 0 GKAAHN c1ccc(C2CCC(N3CCN(Cc4cccc5ccccc54)CC3)CC2)cc1 ZINC000020510049 570265071 /nfs/dbraw/zinc/26/50/71/570265071.db2.gz NSBCHPPXKCLETO-UHFFFAOYSA-N 0 3 384.567 5.684 50 0 GKAAHN COc1ccccc1[C@H](CCNCc1ccco1)c1ccc(OC(C)C)cc1 ZINC000001829761 570269389 /nfs/dbraw/zinc/26/93/89/570269389.db2.gz WOMOOTSCJMEEFY-JOCHJYFZSA-N 0 3 379.500 5.387 50 0 biogenic GKAAHN CO[C@H](CNCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000020910657 570283965 /nfs/dbraw/zinc/28/39/65/570283965.db2.gz PLMNYDHJBQDLCJ-OAQYLSRUSA-N 0 3 389.524 5.283 50 0 GKAAHN Cc1ccc(NC(=O)C2CCN(Cc3csc4c3CCCC4)CC2)c(C)c1 ZINC000006857897 570291263 /nfs/dbraw/zinc/29/12/63/570291263.db2.gz JTXZRLDPIPSXGP-UHFFFAOYSA-N 0 3 382.573 5.094 50 0 GKAAHN C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012918797 570293456 /nfs/dbraw/zinc/29/34/56/570293456.db2.gz VXDCRVJCAPDWCZ-NXEZZACHSA-N 0 3 376.831 5.098 50 0 GKAAHN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682942 570300501 /nfs/dbraw/zinc/30/05/01/570300501.db2.gz YINQTLGIKWXESC-UHFFFAOYSA-N 0 3 390.552 5.368 50 0 GKAAHN CCC(=O)N(c1ccc(OC)cc1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682799 570300660 /nfs/dbraw/zinc/30/06/60/570300660.db2.gz SNAAQCYMZMVECC-UHFFFAOYSA-N 0 3 394.559 5.226 50 0 GKAAHN Fc1ccc(C(CCCN2CCN3CCCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032951 570302763 /nfs/dbraw/zinc/30/27/63/570302763.db2.gz BDBNCAYIESYZJS-QHCPKHFHSA-N 0 3 384.514 5.047 50 0 GKAAHN CCN1CCC[C@H](OC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000004863429 570350574 /nfs/dbraw/zinc/35/05/74/570350574.db2.gz NNYLKITWDDAHQO-INIZCTEOSA-N 0 3 394.902 5.196 50 0 GKAAHN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000023280473 570353662 /nfs/dbraw/zinc/35/36/62/570353662.db2.gz IQBOMOWUKJLGPO-OAHLLOKOSA-N 0 3 382.857 5.112 50 0 GKAAHN Cc1ccc(C)c(N2CCN([C@H](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023280970 570353715 /nfs/dbraw/zinc/35/37/15/570353715.db2.gz HNUKQBODNWIOSY-GOSISDBHSA-N 0 3 376.466 5.075 50 0 GKAAHN Cc1ccc(C)c(N2CCN([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000023280967 570353793 /nfs/dbraw/zinc/35/37/93/570353793.db2.gz HNUKQBODNWIOSY-SFHVURJKSA-N 0 3 376.466 5.075 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004477948 570376883 /nfs/dbraw/zinc/37/68/83/570376883.db2.gz IBVUWOBSESRAEG-RSYZFUPGSA-N 0 3 389.514 5.906 50 0 GKAAHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1cccs1 ZINC000004841899 570411023 /nfs/dbraw/zinc/41/10/23/570411023.db2.gz CRSLUYWIWXHSQM-UHFFFAOYSA-N 0 3 383.513 5.024 50 0 GKAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000005027709 570424673 /nfs/dbraw/zinc/42/46/73/570424673.db2.gz WBWFQGCNSJCFDP-QGZVFWFLSA-N 0 3 381.903 5.778 50 0 GKAAHN COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011290 570431531 /nfs/dbraw/zinc/43/15/31/570431531.db2.gz WKBVKTAHWHLSCW-DEOSSOPVSA-N 0 3 386.495 5.285 50 0 GKAAHN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662575 570438743 /nfs/dbraw/zinc/43/87/43/570438743.db2.gz JUGFKHQTMLSCSJ-FQEVSTJZSA-N 0 3 384.589 5.393 50 0 GKAAHN CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000027992058 570448786 /nfs/dbraw/zinc/44/87/86/570448786.db2.gz SZWUHCFOWSUHSM-DEOSSOPVSA-N 0 3 394.559 5.131 50 0 GKAAHN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2c1SC(C)C2=O ZINC000006497648 570456853 /nfs/dbraw/zinc/45/68/53/570456853.db2.gz RBTSECSAXHUXSW-CQSZACIVSA-N 0 3 377.465 5.133 50 0 GKAAHN Fc1cccc(CN(Cc2cccn2Cc2ccccc2F)C2CCCCC2)c1 ZINC000035841039 570463427 /nfs/dbraw/zinc/46/34/27/570463427.db2.gz OLDGUSCBHYODFC-UHFFFAOYSA-N 0 3 394.509 6.150 50 0 GKAAHN COc1cccc(Cn2cccc2CN(CCC(C)C)Cc2ccccc2C)c1 ZINC000035841123 570463741 /nfs/dbraw/zinc/46/37/41/570463741.db2.gz KMXNZWIOTCAQEY-UHFFFAOYSA-N 0 3 390.571 5.902 50 0 GKAAHN CN(C)Cc1cccc([C@@H](O)[C@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637814 570485889 /nfs/dbraw/zinc/48/58/89/570485889.db2.gz SPLBTLHSWXXNDH-BJKOFHAPSA-N 0 3 375.537 5.219 50 0 GKAAHN COc1ccc([C@@H](C)NCc2cc(C)c(OCc3ccccn3)c(C)c2)cc1F ZINC000030628209 570492525 /nfs/dbraw/zinc/49/25/25/570492525.db2.gz JBBRVRJTNWKNIJ-GOSISDBHSA-N 0 3 394.490 5.276 50 0 GKAAHN CN1CCC[C@H](COC(=O)c2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822780 570509701 /nfs/dbraw/zinc/50/97/01/570509701.db2.gz DCXDMCARLIRQIN-PBHICJAKSA-N 0 3 383.435 5.007 50 0 GKAAHN CN1CCC[C@H](COC(=O)c2ccccc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822727 570509824 /nfs/dbraw/zinc/50/98/24/570509824.db2.gz WSPOOGDTPZVEJW-BEFAXECRSA-N 0 3 395.396 5.084 50 0 GKAAHN COc1ccc(CN2CCCCC[C@H]2c2ccc(C)s2)c(OC)c1OC ZINC000033087133 570519823 /nfs/dbraw/zinc/51/98/23/570519823.db2.gz BLAFDTIQJUWGBS-KRWDZBQOSA-N 0 3 375.534 5.200 50 0 GKAAHN C[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006654431 570521064 /nfs/dbraw/zinc/52/10/64/570521064.db2.gz KHDYYLBIZKTUGB-OAHLLOKOSA-N 0 3 399.321 6.097 50 0 GKAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000008535325 570533370 /nfs/dbraw/zinc/53/33/70/570533370.db2.gz SBODALPUXDENRY-QGZVFWFLSA-N 0 3 381.903 5.778 50 0 GKAAHN Fc1ccc(-c2n[nH]cc2CN(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000036127260 570545957 /nfs/dbraw/zinc/54/59/57/570545957.db2.gz YMYRQGLUQOUDEK-UHFFFAOYSA-N 0 3 385.486 5.461 50 0 GKAAHN C[C@H](NCc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000011843588 570587740 /nfs/dbraw/zinc/58/77/40/570587740.db2.gz OOGFFCIWBVICCZ-IBGZPJMESA-N 0 3 383.495 5.730 50 0 GKAAHN CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000169677957 570599754 /nfs/dbraw/zinc/59/97/54/570599754.db2.gz VVJMFUZZRXYGJP-WEYGHZABSA-N 0 3 384.951 5.208 50 0 GKAAHN C=CN1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000005462118 570602484 /nfs/dbraw/zinc/60/24/84/570602484.db2.gz AQAGPBXWLXHMCE-CJAUYULYSA-N 0 3 379.544 5.749 50 0 GKAAHN Cc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347367 570628838 /nfs/dbraw/zinc/62/88/38/570628838.db2.gz OEZXXYLOFCVQJO-JOCHJYFZSA-N 0 3 384.445 5.811 50 0 GKAAHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1 ZINC000006845991 570646290 /nfs/dbraw/zinc/64/62/90/570646290.db2.gz ZQETVXUYNZWBDD-MSNXNEKQSA-N 0 3 377.528 5.077 50 0 biogenic GKAAHN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C/C=C/c1ccccc1 ZINC000006849659 570647611 /nfs/dbraw/zinc/64/76/11/570647611.db2.gz CSALCCKLWJOGTI-BWUIKELBSA-N 0 3 377.528 5.077 50 0 biogenic GKAAHN CC(C)=CCN1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012439635 570663493 /nfs/dbraw/zinc/66/34/93/570663493.db2.gz IJKGJVVRLGHSPT-UHFFFAOYSA-N 0 3 382.479 5.235 50 0 GKAAHN COc1ccc2cc(-c3n[nH]cc3CN3CCC(c4ccncc4)CC3)ccc2c1 ZINC000012446453 570666909 /nfs/dbraw/zinc/66/69/09/570666909.db2.gz BHHDSICRVAYHGS-UHFFFAOYSA-N 0 3 398.510 5.013 50 0 GKAAHN COc1ccc(-n2ncc([C@@H](C)NCc3ccccc3-c3ccco3)c2C)cc1 ZINC000012595890 570688952 /nfs/dbraw/zinc/68/89/52/570688952.db2.gz QUKLGAUAODKHMV-QGZVFWFLSA-N 0 3 387.483 5.300 50 0 GKAAHN C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1Cl ZINC000057222620 570701918 /nfs/dbraw/zinc/70/19/18/570701918.db2.gz IKYUAVBPKPMSMZ-IBGZPJMESA-N 0 3 393.914 5.588 50 0 GKAAHN COCC[C@@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000012711733 570702492 /nfs/dbraw/zinc/70/24/92/570702492.db2.gz TUJQLMIDJXOYAJ-KRWDZBQOSA-N 0 3 382.426 5.060 50 0 GKAAHN Clc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057576159 570702619 /nfs/dbraw/zinc/70/26/19/570702619.db2.gz LLAONCZFIOOLBA-UHFFFAOYSA-N 0 3 391.946 5.274 50 0 GKAAHN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000017315170 570703489 /nfs/dbraw/zinc/70/34/89/570703489.db2.gz DOMFHQNAJIZMHP-OAHLLOKOSA-N 0 3 399.321 6.097 50 0 GKAAHN C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000017315431 570703496 /nfs/dbraw/zinc/70/34/96/570703496.db2.gz RHIKKIUBHCLXMB-MRXNPFEDSA-N 0 3 390.437 5.063 50 0 GKAAHN Clc1c2ccccc2sc1-c1nnc2sc(CN3CCCCC3)cn21 ZINC000004393874 570729953 /nfs/dbraw/zinc/72/99/53/570729953.db2.gz GRDOQQXBBNZGCZ-UHFFFAOYSA-N 0 3 388.949 5.312 50 0 GKAAHN CCCC[C@]1(O)C[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@@H]1C ZINC000013574171 570759688 /nfs/dbraw/zinc/75/96/88/570759688.db2.gz UJRIBUDZMNUBLS-YABBVRICSA-N 0 3 383.532 5.037 50 0 GKAAHN CC(C)CCN(C(=S)Nc1ccc(C(C)C)cc1)C1CCN(C(C)C)CC1 ZINC000004669325 570813607 /nfs/dbraw/zinc/81/36/07/570813607.db2.gz MEDMDKJMOJWMSS-UHFFFAOYSA-N 0 3 389.653 5.728 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000102096953 570841186 /nfs/dbraw/zinc/84/11/86/570841186.db2.gz DWMBLMXBAOMOLC-WKAQUBQDSA-N 0 3 385.551 5.852 50 0 GKAAHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NC1CCCC1)c1ccccc1 ZINC000003332762 570858001 /nfs/dbraw/zinc/85/80/01/570858001.db2.gz LNWYFYUFVULNMQ-SFHVURJKSA-N 0 3 396.840 5.571 50 0 GKAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CNCc2ccccc2OC)cc1 ZINC000015071988 570877470 /nfs/dbraw/zinc/87/74/70/570877470.db2.gz SFJYECLANNRDSI-UHFFFAOYSA-N 0 3 398.506 5.517 50 0 GKAAHN COc1ccc(-c2nc(CN3CCC[C@@H](c4ccccc4)C3)c(C)o2)cc1OC ZINC000015072686 570877825 /nfs/dbraw/zinc/87/78/25/570877825.db2.gz KBUOETHZDPGIJY-HXUWFJFHSA-N 0 3 392.499 5.047 50 0 GKAAHN COc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000037570523 571032753 /nfs/dbraw/zinc/03/27/53/571032753.db2.gz IENAGYPLYBQIKJ-UHFFFAOYSA-N 0 3 394.559 5.047 50 0 GKAAHN CC(C)[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000012786584 571039387 /nfs/dbraw/zinc/03/93/87/571039387.db2.gz XHWOGEAKYCOZDM-LIRRHRJNSA-N 0 3 393.512 5.293 50 0 GKAAHN CCC[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003440212 209436712 /nfs/dbraw/zinc/43/67/12/209436712.db2.gz AGQLYJCLKLLNDY-NOZRDPDXSA-N 0 3 375.512 5.224 50 0 GKAAHN S=C(Nc1ccc(CN2CCCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000002856928 209391127 /nfs/dbraw/zinc/39/11/27/209391127.db2.gz HDFDCEHYEHBJDK-UHFFFAOYSA-N 0 3 394.371 5.788 50 0 GKAAHN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C/C=C/c1ccccc1 ZINC000002098922 209346459 /nfs/dbraw/zinc/34/64/59/209346459.db2.gz YHYQZSVKBBWONV-RJNQYJQCSA-N 0 3 391.555 5.467 50 0 biogenic,in-vitro GKAAHN CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(C)cc3)sc2c1 ZINC000010066606 212237759 /nfs/dbraw/zinc/23/77/59/212237759.db2.gz BKUGBIVLMSXUOB-UHFFFAOYSA-N 0 3 395.572 5.156 50 0 GKAAHN CN1[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000000813342 212183749 /nfs/dbraw/zinc/18/37/49/212183749.db2.gz KYSHZPJVXBNION-GOSISDBHSA-N 0 3 377.315 5.330 50 0 GKAAHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](NC1CCCCC1)c1ccccc1 ZINC000003360779 204001516 /nfs/dbraw/zinc/00/15/16/204001516.db2.gz KSXPODSHLPIUAI-LJQANCHMSA-N 0 3 377.315 5.596 50 0 GKAAHN COc1cccc(Cn2cccc2CN(Cc2ccccc2C)CC(C)C)c1 ZINC000004422301 204045157 /nfs/dbraw/zinc/04/51/57/204045157.db2.gz DEESAFMUWHASPA-UHFFFAOYSA-N 0 3 376.544 5.512 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555382 204053344 /nfs/dbraw/zinc/05/33/44/204053344.db2.gz DWMBLMXBAOMOLC-LGTXBLIGSA-N 0 3 385.551 5.852 50 0 GKAAHN COc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1 ZINC000005013874 204102453 /nfs/dbraw/zinc/10/24/53/204102453.db2.gz BFKAICFFJPFIJW-UHFFFAOYSA-N 0 3 390.321 5.069 50 0 GKAAHN COc1ccccc1[C@@]1(CCNCc2ccccc2F)CCO[C@@H](C(C)C)C1 ZINC000005025033 204103607 /nfs/dbraw/zinc/10/36/07/204103607.db2.gz KCYOBLYWPXGPGW-RPWUZVMVSA-N 0 3 385.523 5.087 50 0 GKAAHN CCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005478456 204134813 /nfs/dbraw/zinc/13/48/13/204134813.db2.gz JGIRVNFRZIMTDY-NRFANRHFSA-N 0 3 395.934 5.004 50 0 GKAAHN CCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000005500114 204135836 /nfs/dbraw/zinc/13/58/36/204135836.db2.gz XHGFEMPMNKWHTG-NRFANRHFSA-N 0 3 395.934 5.004 50 0 GKAAHN CCCOc1ccc(CN[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OC ZINC000008395289 204275429 /nfs/dbraw/zinc/27/54/29/204275429.db2.gz BAELZLKBPNWFDX-QGZVFWFLSA-N 0 3 387.520 5.132 50 0 GKAAHN O=C(c1cccc2ccccc21)[C@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000011817496 204354312 /nfs/dbraw/zinc/35/43/12/204354312.db2.gz COMNVYYZHKSBLL-QFIPXVFZSA-N 0 3 380.491 5.483 50 0 GKAAHN COc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc12 ZINC000011839045 204356326 /nfs/dbraw/zinc/35/63/26/204356326.db2.gz BPFWDHSYOCIYLU-MRXNPFEDSA-N 0 3 389.474 5.332 50 0 GKAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036103967 205004742 /nfs/dbraw/zinc/00/47/42/205004742.db2.gz PYJXMTMLEXFLSG-VWLOTQADSA-N 0 3 377.503 5.048 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(C)cc3)CC2)cc1 ZINC000037560024 205028574 /nfs/dbraw/zinc/02/85/74/205028574.db2.gz FSHNAUFUKWNEJI-UHFFFAOYSA-N 0 3 378.560 5.347 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000037560242 205029144 /nfs/dbraw/zinc/02/91/44/205029144.db2.gz YAJNILWXIUFBSL-UHFFFAOYSA-N 0 3 384.523 5.306 50 0 GKAAHN CN(Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc(OC(F)F)cc1 ZINC000039985877 205045521 /nfs/dbraw/zinc/04/55/21/205045521.db2.gz ROTCXGBXILRXAU-UHFFFAOYSA-N 0 3 393.437 5.235 50 0 GKAAHN CCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000043022933 205081628 /nfs/dbraw/zinc/08/16/28/205081628.db2.gz OCZBVWSYHBTDIZ-GOSISDBHSA-N 0 3 397.469 5.133 50 0 GKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000051330001 205132892 /nfs/dbraw/zinc/13/28/92/205132892.db2.gz DDNLDILWAAVVAZ-HSZRJFAPSA-N 0 3 389.543 5.049 50 0 GKAAHN CN(CCOc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392583 205149232 /nfs/dbraw/zinc/14/92/32/205149232.db2.gz OLOCIKCWZBQPDQ-UHFFFAOYSA-N 0 3 393.530 5.989 50 0 GKAAHN c1c(CN[C@@H]2CCCc3ccccc32)c(-c2cccnc2)nn1-c1ccccc1 ZINC000058082394 205164694 /nfs/dbraw/zinc/16/46/94/205164694.db2.gz MPEARHYUFMLBBB-XMMPIXPASA-N 0 3 380.495 5.102 50 0 GKAAHN COc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2CN(C)C)cc1 ZINC000071405263 209110055 /nfs/dbraw/zinc/11/00/55/209110055.db2.gz MBWUWMKTUMKGNR-JOCHJYFZSA-N 0 3 377.509 5.254 50 0 GKAAHN Brc1csc(CNCc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000084605724 205395951 /nfs/dbraw/zinc/39/59/51/205395951.db2.gz GYWWOFSPXSMPIG-UHFFFAOYSA-N 0 3 398.329 5.139 50 0 GKAAHN Cc1cccc(-c2nc3cc(C)ccc3cc2CNCc2ccc3c(c2)OCO3)c1 ZINC000299787974 206190157 /nfs/dbraw/zinc/19/01/57/206190157.db2.gz UIYIPUJPQCVQRQ-UHFFFAOYSA-N 0 3 396.490 5.537 50 0 GKAAHN COc1cc(CNCc2ccc(-c3ccccc3F)s2)ccc1OC(F)F ZINC000097139556 211360813 /nfs/dbraw/zinc/36/08/13/211360813.db2.gz WEWHDJQSFINLCD-UHFFFAOYSA-N 0 3 393.430 5.454 50 0 GKAAHN CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000096148333 211309884 /nfs/dbraw/zinc/30/98/84/211309884.db2.gz MYPVTSXGBOUIED-FQEVSTJZSA-N 0 3 383.561 5.229 50 0 GKAAHN COc1ccc([C@H]2NC[C@H](c3ccc(N(C)C)cc3)c3c4ccccc4[nH]c32)cc1 ZINC000083854277 211166054 /nfs/dbraw/zinc/16/60/54/211166054.db2.gz LQBLVWJDOSDWSD-RCZVLFRGSA-N 0 3 397.522 5.067 50 0 GKAAHN COc1ccc(CN2CCCC2)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000067649467 211016049 /nfs/dbraw/zinc/01/60/49/211016049.db2.gz QQTLWBQTDORHBD-UHFFFAOYSA-N 0 3 386.801 5.151 50 0 GKAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000014978773 207036370 /nfs/dbraw/zinc/03/63/70/207036370.db2.gz DJKYNYLVBXMJOT-UHFFFAOYSA-N 0 3 394.902 5.086 50 0 GKAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN[C@H](C)c2cccs2)cc1 ZINC000015003143 207039750 /nfs/dbraw/zinc/03/97/50/207039750.db2.gz GHCYTFLLXIMCEV-QGZVFWFLSA-N 0 3 388.536 6.131 50 0 GKAAHN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCc1ccc(C)cc1 ZINC000017311325 207088575 /nfs/dbraw/zinc/08/85/75/207088575.db2.gz DKFPNVRUTNVKBV-UHFFFAOYSA-N 0 3 388.342 5.453 50 0 GKAAHN Cc1cc(C)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 ZINC000019897179 207167718 /nfs/dbraw/zinc/16/77/18/207167718.db2.gz QZPDHIOGDDQVGR-UHFFFAOYSA-N 0 3 384.523 5.422 50 0 GKAAHN Cc1scc(CN2CCN(Cc3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000020514450 207199150 /nfs/dbraw/zinc/19/91/50/207199150.db2.gz BWBXWDSMMUTIHL-UHFFFAOYSA-N 0 3 376.569 5.350 50 0 GKAAHN COc1cc(CN[C@H](C)c2cccc3ccccc32)cc(Cl)c1OC(F)F ZINC000022787899 207261269 /nfs/dbraw/zinc/26/12/69/207261269.db2.gz HCZRPJSERJNCJH-CYBMUJFWSA-N 0 3 391.845 5.954 50 0 GKAAHN COc1cccc([C@@H](CNCc2ccc(C)o2)c2c[nH]c3ccccc32)c1OC ZINC000024527517 207291575 /nfs/dbraw/zinc/29/15/75/207291575.db2.gz GCHNEFGOZQFHKL-HXUWFJFHSA-N 0 3 390.483 5.008 50 0 GKAAHN COc1cccc([C@H](CNCc2ccc(C)o2)c2c[nH]c3ccccc32)c1OC ZINC000024527520 207292258 /nfs/dbraw/zinc/29/22/58/207292258.db2.gz GCHNEFGOZQFHKL-FQEVSTJZSA-N 0 3 390.483 5.008 50 0 GKAAHN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290783 207338897 /nfs/dbraw/zinc/33/88/97/207338897.db2.gz HYABQRKGFPWEHP-HXUWFJFHSA-N 0 3 396.506 5.211 50 0 GKAAHN COc1ccc([C@H](C)NCc2cc(C)c(OCc3ccccn3)c(C)c2)cc1F ZINC000030628212 210556044 /nfs/dbraw/zinc/55/60/44/210556044.db2.gz JBBRVRJTNWKNIJ-SFHVURJKSA-N 0 3 394.490 5.276 50 0 GKAAHN Cc1ccc(COc2ccc(Cl)cc2CNC[C@H](O)c2ccccc2)cc1 ZINC000020875173 210364446 /nfs/dbraw/zinc/36/44/46/210364446.db2.gz FBUORJWUYSEKHU-QFIPXVFZSA-N 0 3 381.903 5.051 50 0 GKAAHN Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000020785468 210360815 /nfs/dbraw/zinc/36/08/15/210360815.db2.gz NCLRZGJIQGFIEU-LJQANCHMSA-N 0 3 379.454 5.110 50 0 GKAAHN C[C@@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1 ZINC000019872082 210304799 /nfs/dbraw/zinc/30/47/99/210304799.db2.gz BJMUGVJXKMIWFB-HXOBKFHXSA-N 0 3 381.903 5.131 50 0 GKAAHN O=C(Cc1cccc2ccccc21)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008863158 221061611 /nfs/dbraw/zinc/06/16/11/221061611.db2.gz MWUZPTKEYNTDEU-HSZRJFAPSA-N 0 3 392.568 5.177 50 0 GKAAHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000008534253 221043820 /nfs/dbraw/zinc/04/38/20/221043820.db2.gz SBODALPUXDENRY-KRWDZBQOSA-N 0 3 381.903 5.778 50 0 GKAAHN CCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009358850 221079636 /nfs/dbraw/zinc/07/96/36/221079636.db2.gz LRKCWFYHHUSIOT-GLQXHVENSA-N 0 3 378.343 5.792 50 0 GKAAHN CC(C)(C)c1cc(CNCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000012302366 221178091 /nfs/dbraw/zinc/17/80/91/221178091.db2.gz HIRMXZJKPXKEFO-UHFFFAOYSA-N 0 3 385.515 5.054 50 0 GKAAHN CCOc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012586848 221211532 /nfs/dbraw/zinc/21/15/32/221211532.db2.gz KISUAUUVANHVEN-IBGZPJMESA-N 0 3 398.522 5.164 50 0 GKAAHN CCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000013617907 221276595 /nfs/dbraw/zinc/27/65/95/221276595.db2.gz LRKCWFYHHUSIOT-XZHRJXTQSA-N 0 3 378.343 5.792 50 0 GKAAHN CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H]1C ZINC000013562986 221273380 /nfs/dbraw/zinc/27/33/80/221273380.db2.gz XTXJCNLNKMWVKO-WSZJRCBQSA-N 0 3 379.588 6.417 50 0 GKAAHN Cc1c2ccccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027664674 221658871 /nfs/dbraw/zinc/65/88/71/221658871.db2.gz LOSLQJQKJGOQLO-GOSISDBHSA-N 0 3 382.529 5.150 50 0 GKAAHN C[C@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 ZINC000057218389 222030390 /nfs/dbraw/zinc/03/03/90/222030390.db2.gz GEHHLTOPYDVSEU-LJQANCHMSA-N 0 3 393.914 5.588 50 0 GKAAHN O=C(CNCc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052537474 222006579 /nfs/dbraw/zinc/00/65/79/222006579.db2.gz VYMFXXPQJNRFEX-UHFFFAOYSA-N 0 3 392.808 5.240 50 0 GKAAHN Clc1cccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000000753472 526979349 /nfs/dbraw/zinc/97/93/49/526979349.db2.gz SHJGXBDKCHVIEW-UHFFFAOYSA-N 0 3 376.931 5.294 50 0 GKAAHN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4C)CC3)ccc21 ZINC000019781667 570218787 /nfs/dbraw/zinc/21/87/87/570218787.db2.gz CXGGJWPTSKYBDB-UHFFFAOYSA-N 0 3 397.566 5.441 50 0 GKAAHN Cc1nc(-c2cccc(NC(=O)CN[C@H](c3cccs3)C(C)C)c2)cs1 ZINC000012810856 570225430 /nfs/dbraw/zinc/22/54/30/570225430.db2.gz YFJMYSJILKYCME-FQEVSTJZSA-N 0 3 385.558 5.105 50 0 GKAAHN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCCC[C@H]1CCCO ZINC000020352094 570252567 /nfs/dbraw/zinc/25/25/67/570252567.db2.gz UZFWXETYXGFITF-QHCPKHFHSA-N 0 3 390.527 5.444 50 0 GKAAHN C[C@@H]1CN(CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000020166882 570254659 /nfs/dbraw/zinc/25/46/59/570254659.db2.gz CCOLCOPPEFRFIM-NHCUHLMSSA-N 0 3 381.560 5.281 50 0 GKAAHN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(Oc3ccccc3)c1)NCC2 ZINC000020506954 570264530 /nfs/dbraw/zinc/26/45/30/570264530.db2.gz PHSMLDZTNUALIF-RUZDIDTESA-N 0 3 389.495 5.511 50 0 biogenic GKAAHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012918788 570293326 /nfs/dbraw/zinc/29/33/26/570293326.db2.gz VXDCRVJCAPDWCZ-VHSXEESVSA-N 0 3 376.831 5.098 50 0 GKAAHN CC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682719 570300462 /nfs/dbraw/zinc/30/04/62/570300462.db2.gz NRHJSMRIRTTZPN-UHFFFAOYSA-N 0 3 382.523 5.275 50 0 GKAAHN Cc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034683028 570300849 /nfs/dbraw/zinc/30/08/49/570300849.db2.gz YGPZEUHOVDHAAA-UHFFFAOYSA-N 0 3 390.552 5.368 50 0 GKAAHN Fc1ccc(C2=CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1 ZINC000005671363 570322572 /nfs/dbraw/zinc/32/25/72/570322572.db2.gz ATEPKTFFTGYOHN-UHFFFAOYSA-N 0 3 393.889 6.561 50 0 GKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000035843766 570343060 /nfs/dbraw/zinc/34/30/60/570343060.db2.gz FDDZYEGTURZUCW-IBGZPJMESA-N 0 3 382.498 5.861 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(CCC(C)C)Cc2ccc(F)cc2)c1 ZINC000004874961 570353191 /nfs/dbraw/zinc/35/31/91/570353191.db2.gz NNOCLOIMZKMXGC-UHFFFAOYSA-N 0 3 378.535 6.032 50 0 GKAAHN CCCCCC[C@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000004898579 570358324 /nfs/dbraw/zinc/35/83/24/570358324.db2.gz XTXJCNLNKMWVKO-QUKDMSEQSA-N 0 3 379.588 6.417 50 0 GKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004899179 570358672 /nfs/dbraw/zinc/35/86/72/570358672.db2.gz GLTZEBFFIPXPTP-OAQYLSRUSA-N 0 3 395.934 5.084 50 0 GKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004899178 570358709 /nfs/dbraw/zinc/35/87/09/570358709.db2.gz GLTZEBFFIPXPTP-NRFANRHFSA-N 0 3 395.934 5.084 50 0 GKAAHN O[C@@H](CNCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004159409 570360594 /nfs/dbraw/zinc/36/05/94/570360594.db2.gz PNHFCVLKJMHHPH-SFHVURJKSA-N 0 3 399.321 5.252 50 0 GKAAHN CN(C(=O)OCc1ccccc1)[C@@H](CCN1CCCC1)c1ccccc1Cl ZINC000004289965 570365662 /nfs/dbraw/zinc/36/56/62/570365662.db2.gz HFKBWYUKRSNBLT-NRFANRHFSA-N 0 3 386.923 5.136 50 0 GKAAHN CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000004311856 570367260 /nfs/dbraw/zinc/36/72/60/570367260.db2.gz LRKCWFYHHUSIOT-FEBSWUBLSA-N 0 3 378.343 5.792 50 0 GKAAHN CCCCCC[C@@]1(O)[C@@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000004424050 570374708 /nfs/dbraw/zinc/37/47/08/570374708.db2.gz DRYQTNXMKBICIH-WMISLZHDSA-N 0 3 393.615 6.826 50 0 GKAAHN CC1(C)CC(=O)C[C@]2(C1)NC[C@@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908175 570375185 /nfs/dbraw/zinc/37/51/85/570375185.db2.gz YDXXMDROEYQMOS-MHECFPHRSA-N 0 3 392.930 5.531 50 0 GKAAHN N=C1SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1 ZINC000005017028 570397117 /nfs/dbraw/zinc/39/71/17/570397117.db2.gz LBLOJANXTVKNIY-INIZCTEOSA-N 0 3 399.928 5.143 50 0 aggregator GKAAHN C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1Cl ZINC000004802800 570406377 /nfs/dbraw/zinc/40/63/77/570406377.db2.gz BEWVWNGYSGPFME-XUVDGOIQSA-N 0 3 391.942 5.726 50 0 GKAAHN Cc1noc(C)c1COc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000025261416 570409649 /nfs/dbraw/zinc/40/96/49/570409649.db2.gz LIAFRVFPACNJAB-UHFFFAOYSA-N 0 3 390.405 5.179 50 0 GKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000005092717 570415532 /nfs/dbraw/zinc/41/55/32/570415532.db2.gz VMJUUUFTNITBJO-XMMPIXPASA-N 0 3 397.522 5.195 50 0 GKAAHN COc1ccccc1[C@]1(CCNCc2ccccc2F)CCO[C@@H](C(C)C)C1 ZINC000005025035 570424569 /nfs/dbraw/zinc/42/45/69/570424569.db2.gz KCYOBLYWPXGPGW-DNQXCXABSA-N 0 3 385.523 5.087 50 0 GKAAHN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 ZINC000005151799 570429081 /nfs/dbraw/zinc/42/90/81/570429081.db2.gz BYWHFODVRVSDOY-MZYLBHOOSA-N 0 3 385.935 5.217 50 0 GKAAHN COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011292 570431575 /nfs/dbraw/zinc/43/15/75/570431575.db2.gz WKBVKTAHWHLSCW-XMMPIXPASA-N 0 3 386.495 5.285 50 0 GKAAHN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027664682 570439674 /nfs/dbraw/zinc/43/96/74/570439674.db2.gz SGLOCGRDXJXUNL-QFIPXVFZSA-N 0 3 390.527 5.397 50 0 GKAAHN Cn1c2ccccc2c(CN2CCN(c3ccccc3)CC2)c1-c1ccccc1 ZINC000054114348 570446333 /nfs/dbraw/zinc/44/63/33/570446333.db2.gz RHBUQGQCOWZAAZ-UHFFFAOYSA-N 0 3 381.523 5.168 50 0 GKAAHN CCCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)c1 ZINC000027992043 570448679 /nfs/dbraw/zinc/44/86/79/570448679.db2.gz WZRHJZMNMBJCNR-DEOSSOPVSA-N 0 3 394.559 5.131 50 0 GKAAHN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289715 570455705 /nfs/dbraw/zinc/45/57/05/570455705.db2.gz VSUZLIIUTRACJJ-FQEVSTJZSA-N 0 3 378.516 5.071 50 0 GKAAHN COc1cccc(Cn2cccc2CN(Cc2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000035841133 570464015 /nfs/dbraw/zinc/46/40/15/570464015.db2.gz RJUWEINDXJCZCM-FQEVSTJZSA-N 0 3 394.534 5.731 50 0 GKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000035843765 570464253 /nfs/dbraw/zinc/46/42/53/570464253.db2.gz FDDZYEGTURZUCW-LJQANCHMSA-N 0 3 382.498 5.861 50 0 GKAAHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](NC1CCCC1)c1ccccc1 ZINC000006638926 570512050 /nfs/dbraw/zinc/51/20/50/570512050.db2.gz OXYSTUNVTNNBIW-GOSISDBHSA-N 0 3 396.840 5.571 50 0 GKAAHN COc1ccc(-c2n[nH]cc2CN2CCCCC[C@@H]2c2cccs2)cc1OC ZINC000033087078 570519196 /nfs/dbraw/zinc/51/91/96/570519196.db2.gz NANSURGIDQRDOQ-GOSISDBHSA-N 0 3 397.544 5.273 50 0 GKAAHN Clc1c(OCCCN2CCCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000006673525 570529437 /nfs/dbraw/zinc/52/94/37/570529437.db2.gz ZTUZPMLGGLBHHW-OAQYLSRUSA-N 0 3 380.919 5.884 50 0 GKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c(C)c1 ZINC000036098995 570536945 /nfs/dbraw/zinc/53/69/45/570536945.db2.gz JOINITSSBQMBFL-RUZDIDTESA-N 0 3 377.503 5.048 50 0 GKAAHN O[C@H](COc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000005091717 570541133 /nfs/dbraw/zinc/54/11/33/570541133.db2.gz YFZMIWFKEZNJHP-SANMLTNESA-N 0 3 397.518 5.282 50 0 GKAAHN CC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000229847054 570544434 /nfs/dbraw/zinc/54/44/34/570544434.db2.gz HKJVXAYMDUGIOW-KCQQGECQSA-N 0 3 387.523 5.385 50 0 GKAAHN CC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C ZINC000035330865 570552275 /nfs/dbraw/zinc/55/22/75/570552275.db2.gz NJQAVBPPWNSBBC-UHFFFAOYSA-N 0 3 395.552 8.239 50 0 GKAAHN CN1CCCC[C@@H]1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000038465931 570579170 /nfs/dbraw/zinc/57/91/70/570579170.db2.gz JRECAXBHMULNJQ-FMSQDJPCSA-N 0 3 390.571 5.525 50 0 in-vitro GKAAHN C[C@@H](NCc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000011843589 570587860 /nfs/dbraw/zinc/58/78/60/570587860.db2.gz OOGFFCIWBVICCZ-LJQANCHMSA-N 0 3 383.495 5.730 50 0 GKAAHN Cc1scc(CN2CCN(c3cccc(C)c3C)CC2)c1-c1ccc(C)cc1 ZINC000006797740 570597863 /nfs/dbraw/zinc/59/78/63/570597863.db2.gz LHBDQWLBKCYJEX-UHFFFAOYSA-N 0 3 390.596 5.971 50 0 GKAAHN CSc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012112176 570608718 /nfs/dbraw/zinc/60/87/18/570608718.db2.gz HHTPTPCWCRDADW-KRWDZBQOSA-N 0 3 386.536 5.179 50 0 GKAAHN CC(C)Oc1ccc([C@@H](CCNCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005499531 570614671 /nfs/dbraw/zinc/61/46/71/570614671.db2.gz SFKPIGJAYLXUKA-DEOSSOPVSA-N 0 3 395.493 6.064 50 0 GKAAHN COCC[C@@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012193145 570622245 /nfs/dbraw/zinc/62/22/45/570622245.db2.gz BVRUKSMTZUIYQH-KRWDZBQOSA-N 0 3 382.426 5.060 50 0 GKAAHN C=CN1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000136611979 570631728 /nfs/dbraw/zinc/63/17/28/570631728.db2.gz AQAGPBXWLXHMCE-BVZFJXPGSA-N 0 3 379.544 5.749 50 0 GKAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000012297467 570634394 /nfs/dbraw/zinc/63/43/94/570634394.db2.gz AXXYYFALLQKXAZ-LJQANCHMSA-N 0 3 376.525 5.052 50 0 GKAAHN CC[C@@H](NCc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 ZINC000012305043 570638259 /nfs/dbraw/zinc/63/82/59/570638259.db2.gz JBXLFRFEWNLODG-RUZDIDTESA-N 0 3 396.538 5.792 50 0 GKAAHN CCC(C)(C)c1ccc(OC[C@@H](O)CNCc2ccccc2)c(C(C)(C)CC)c1 ZINC000005645375 570679106 /nfs/dbraw/zinc/67/91/06/570679106.db2.gz ZSDQEHNBICRVES-QFIPXVFZSA-N 0 3 397.603 5.591 50 0 GKAAHN CCn1c2ccccc2c2cc(CN3CCN(c4cc(C)ccc4C)CC3)ccc21 ZINC000055292255 570690876 /nfs/dbraw/zinc/69/08/76/570690876.db2.gz QMDKMJIOHKUHIK-UHFFFAOYSA-N 0 3 397.566 5.753 50 0 GKAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(C/C=C/c3ccccc3)C2)c(C)c1 ZINC000012709196 570701568 /nfs/dbraw/zinc/70/15/68/570701568.db2.gz GWQDCZANXKIOBJ-MOVYNIQHSA-N 0 3 392.543 5.148 50 0 GKAAHN Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccc(Cl)cc3)c2)cc1 ZINC000017315158 570703533 /nfs/dbraw/zinc/70/35/33/570703533.db2.gz ITONOQKRIJLNAA-QGZVFWFLSA-N 0 3 378.903 5.752 50 0 GKAAHN CC[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C)cc1 ZINC000017313315 570703913 /nfs/dbraw/zinc/70/39/13/570703913.db2.gz YMIFLLJNPRLMFG-QHCPKHFHSA-N 0 3 392.930 6.142 50 0 GKAAHN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCc1ccccc1C ZINC000017314711 570703972 /nfs/dbraw/zinc/70/39/72/570703972.db2.gz HZZFUBAVZOQBTN-UHFFFAOYSA-N 0 3 388.342 5.453 50 0 GKAAHN Cc1noc(C)c1COc1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1 ZINC000058014438 570707493 /nfs/dbraw/zinc/70/74/93/570707493.db2.gz HBZOEAVKOGWMLH-NRFANRHFSA-N 0 3 384.545 5.809 50 0 GKAAHN Cc1c2ccccc2[nH]c1CN1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000012763283 570711072 /nfs/dbraw/zinc/71/10/72/570711072.db2.gz IWMQASYWGUJEJR-UHFFFAOYSA-N 0 3 375.516 5.107 50 0 GKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000032690944 570742194 /nfs/dbraw/zinc/74/21/94/570742194.db2.gz AVSLSDOZPVTVDT-FUHWJXTLSA-N 0 3 396.943 5.311 50 0 GKAAHN CCOc1cc(CN[C@@H]2CCCc3ccccc32)cc(Br)c1OC ZINC000025259526 570744710 /nfs/dbraw/zinc/74/47/10/570744710.db2.gz DAIFRQHNXOPIES-GOSISDBHSA-N 0 3 390.321 5.024 50 0 GKAAHN 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INNVAFCCUUWNAL-GMKZXUHWSA-N 0 3 399.962 5.476 50 0 GKAAHN CSc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000020036852 210312082 /nfs/dbraw/zinc/31/20/82/210312082.db2.gz OWNLMVNSQNQECB-UHFFFAOYSA-N 0 3 388.536 5.219 50 0 GKAAHN Cc1scc(CN2CCN(c3cc(C)ccc3C)CC2)c1-c1ccc(C)cc1 ZINC000006797742 220962824 /nfs/dbraw/zinc/96/28/24/220962824.db2.gz VSAKWVFLBUIVMS-UHFFFAOYSA-N 0 3 390.596 5.971 50 0 aggregator GKAAHN CCCOc1ccc(CN[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1OC ZINC000008395288 221039521 /nfs/dbraw/zinc/03/95/21/221039521.db2.gz BAELZLKBPNWFDX-KRWDZBQOSA-N 0 3 387.520 5.132 50 0 GKAAHN Clc1ccc(Cn2cc(CNCc3ccccc3)c3ccccc32)c(Cl)c1 ZINC000010315466 221100620 /nfs/dbraw/zinc/10/06/20/221100620.db2.gz OUFLNTPJBGAKDL-UHFFFAOYSA-N 0 3 395.333 6.286 50 0 GKAAHN COc1ccc(CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C2CC2)cc1 ZINC000009608999 221088087 /nfs/dbraw/zinc/08/80/87/221088087.db2.gz JTSDDTUJDSWEPV-UHFFFAOYSA-N 0 3 386.495 5.112 50 0 GKAAHN Clc1ccc(Cn2cc(CNCc3cccnc3)c3ccccc32)c(Cl)c1 ZINC000010315517 221100505 /nfs/dbraw/zinc/10/05/05/221100505.db2.gz FCQIHSARCKFHQZ-UHFFFAOYSA-N 0 3 396.321 5.681 50 0 GKAAHN O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000011870266 221133259 /nfs/dbraw/zinc/13/32/59/221133259.db2.gz XXBVAEZMBZFPHC-JOCHJYFZSA-N 0 3 392.543 5.042 50 0 GKAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN[C@@H](C)c2cccs2)cc1 ZINC000015003140 221326056 /nfs/dbraw/zinc/32/60/56/221326056.db2.gz GHCYTFLLXIMCEV-KRWDZBQOSA-N 0 3 388.536 6.131 50 0 GKAAHN Fc1ccc(C(NC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000057369839 222031998 /nfs/dbraw/zinc/03/19/98/222031998.db2.gz RVQLZCSNWOLBAE-UHFFFAOYSA-N 0 3 392.493 5.308 50 0 GKAAHN O=C(CCCN1C=C(c2ccccc2)c2ccccc2CC1)c1ccc(F)cc1 ZINC000049992040 222001885 /nfs/dbraw/zinc/00/18/85/222001885.db2.gz XDJKETZURHVDBQ-UHFFFAOYSA-N 0 3 385.482 5.736 50 0 GKAAHN c1nc(-c2ccccc2)c(-c2cnc3ccccc3c2)n1[C@H]1CN2CCC1CC2 ZINC000065405254 222127436 /nfs/dbraw/zinc/12/74/36/222127436.db2.gz YEZAFGDYOSQIEO-QHCPKHFHSA-N 0 3 380.495 5.032 50 0 GKAAHN Fc1cccc(-c2c[nH]nc2C2CCN(Cc3ccc4occc4c3)CC2)c1 ZINC000077386740 222279365 /nfs/dbraw/zinc/27/93/65/222279365.db2.gz BUJGQSHJUHIRJE-UHFFFAOYSA-N 0 3 375.447 5.342 50 0 GKAAHN Clc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000000766466 526956075 /nfs/dbraw/zinc/95/60/75/526956075.db2.gz JJXYIERDWRKQIM-UHFFFAOYSA-N 0 3 376.931 5.294 50 0 GKAAHN CCOc1ccccc1CNCc1c(-c2ccc(CC)cc2)nc2ccccn21 ZINC000009740860 528730622 /nfs/dbraw/zinc/73/06/22/528730622.db2.gz VWCSZPBOZWWZFL-UHFFFAOYSA-N 0 3 385.511 5.252 50 0 GKAAHN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019761807 570216918 /nfs/dbraw/zinc/21/69/18/570216918.db2.gz OBKZIWKGFXKOHR-UHFFFAOYSA-N 0 3 376.887 5.151 50 0 GKAAHN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019812664 570221693 /nfs/dbraw/zinc/22/16/93/570221693.db2.gz ZYADRAHVVZXTNZ-UHFFFAOYSA-N 0 3 390.914 5.459 50 0 GKAAHN COc1ccc(Br)cc1CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019832387 570223718 /nfs/dbraw/zinc/22/37/18/570223718.db2.gz BUTDVNHGOWMBSA-NRFANRHFSA-N 0 3 396.328 5.531 50 0 GKAAHN CSc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019832114 570223861 /nfs/dbraw/zinc/22/38/61/570223861.db2.gz SAYNTFISQZSNQB-UHFFFAOYSA-N 0 3 388.536 5.219 50 0 GKAAHN FC(F)(F)c1ccc(CN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019841219 570224792 /nfs/dbraw/zinc/22/47/92/570224792.db2.gz BVNIIQBIBMRWRO-UHFFFAOYSA-N 0 3 384.445 5.176 50 0 GKAAHN CN1[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C ZINC000000813344 570224963 /nfs/dbraw/zinc/22/49/63/570224963.db2.gz KYSHZPJVXBNION-SFHVURJKSA-N 0 3 377.315 5.330 50 0 GKAAHN Cc1cccc(CN(C)CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000085406289 570225896 /nfs/dbraw/zinc/22/58/96/570225896.db2.gz ORPXSOIWLSNRCR-XMMPIXPASA-N 0 3 379.931 5.886 50 0 GKAAHN c1ccc(CN[C@H](c2ccccc2)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889240 570227599 /nfs/dbraw/zinc/22/75/99/570227599.db2.gz KIBCXFHHZDMDON-SXOMAYOGSA-N 0 3 395.571 7.051 50 0 GKAAHN O[C@H](CN1CCc2sccc2[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000247800235 570246219 /nfs/dbraw/zinc/24/62/19/570246219.db2.gz UVSZGDFFYYPRTA-APWZRJJASA-N 0 3 375.946 5.144 50 0 GKAAHN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2CN2CCCC2)CCCC3)cc1 ZINC000002083459 570273902 /nfs/dbraw/zinc/27/39/02/570273902.db2.gz JXXAPGBVNABPQG-UHFFFAOYSA-N 0 3 396.600 5.773 50 0 GKAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180637 570277163 /nfs/dbraw/zinc/27/71/63/570277163.db2.gz ZSYNVNGIZNPTJT-IBGZPJMESA-N 0 3 395.587 5.959 50 0 GKAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101159633 570281518 /nfs/dbraw/zinc/28/15/18/570281518.db2.gz KLOBRRLODJPCDR-XUJYPJAKSA-N 0 3 385.551 5.708 50 0 GKAAHN CCCCN(Cc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000002479772 570288235 /nfs/dbraw/zinc/28/82/35/570288235.db2.gz NOXRAMOQPWDITD-UHFFFAOYSA-N 0 3 379.931 6.935 50 0 GKAAHN O=C(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1 ZINC000034682631 570300621 /nfs/dbraw/zinc/30/06/21/570300621.db2.gz DHXYHBBCAYKOPO-UHFFFAOYSA-N 0 3 394.515 5.199 50 0 GKAAHN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682934 570300726 /nfs/dbraw/zinc/30/07/26/570300726.db2.gz DKCFGOKZULZWBV-UHFFFAOYSA-N 0 3 378.560 5.526 50 0 GKAAHN CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034683023 570301085 /nfs/dbraw/zinc/30/10/85/570301085.db2.gz NOGDGOLAGZNWPE-UHFFFAOYSA-N 0 3 378.560 5.526 50 0 GKAAHN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1 ZINC000002828223 570305427 /nfs/dbraw/zinc/30/54/27/570305427.db2.gz FXTZFNUTQSKHMS-UHFFFAOYSA-N 0 3 384.589 5.097 50 0 GKAAHN c1[nH]c2ccccc2c1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022576388 570322201 /nfs/dbraw/zinc/32/22/01/570322201.db2.gz WITHESXLXQKZKE-UHFFFAOYSA-N 0 3 395.550 5.118 50 0 GKAAHN CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739893 570327277 /nfs/dbraw/zinc/32/72/77/570327277.db2.gz VVJMFUZZRXYGJP-RBDMOPTHSA-N 0 3 384.951 5.208 50 0 GKAAHN COc1cc(CN[C@@H](C)c2cccc3ccccc32)cc(Cl)c1OC(F)F ZINC000022787893 570327780 /nfs/dbraw/zinc/32/77/80/570327780.db2.gz HCZRPJSERJNCJH-ZDUSSCGKSA-N 0 3 391.845 5.954 50 0 GKAAHN CC(C)(C)c1cc(CN2CC=C(c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000003681007 570350326 /nfs/dbraw/zinc/35/03/26/570350326.db2.gz YAGUEYUFTYXHLF-UHFFFAOYSA-N 0 3 395.562 6.416 50 0 GKAAHN CCN1CCC[C@@H](OC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)C1 ZINC000004863430 570350454 /nfs/dbraw/zinc/35/04/54/570350454.db2.gz NNYLKITWDDAHQO-MRXNPFEDSA-N 0 3 394.902 5.196 50 0 GKAAHN CCCCn1c2ccccc2n2cc(CN(C)C34CC5CC(CC(C5)C3)C4)nc21 ZINC000004007239 570354079 /nfs/dbraw/zinc/35/40/79/570354079.db2.gz PGFASMFJCWJHTA-UHFFFAOYSA-N 0 3 390.575 5.490 50 0 GKAAHN CCCCCN(CCCCC)CC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004115932 570358117 /nfs/dbraw/zinc/35/81/17/570358117.db2.gz PNCULSZTMXKGHN-UHFFFAOYSA-N 0 3 385.596 5.070 50 0 GKAAHN C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc2ccccc21 ZINC000022787741 570377243 /nfs/dbraw/zinc/37/72/43/570377243.db2.gz GHCFSUIBMUNXGT-CYBMUJFWSA-N 0 3 384.273 5.182 50 0 GKAAHN C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc2ccccc21 ZINC000022787746 570377298 /nfs/dbraw/zinc/37/72/98/570377298.db2.gz GHCFSUIBMUNXGT-ZDUSSCGKSA-N 0 3 384.273 5.182 50 0 GKAAHN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(CN2CCCCC2)cc1 ZINC000032868982 570395853 /nfs/dbraw/zinc/39/58/53/570395853.db2.gz WYCGDPKLVLKNDB-NTCAYCPXSA-N 0 3 397.522 5.490 50 0 GKAAHN COc1ccc(CN(Cc2nc3ccccc3o2)[C@@H](C)Cc2cccs2)cc1 ZINC000024892682 570397851 /nfs/dbraw/zinc/39/78/51/570397851.db2.gz ISETZIVDTGKFDB-KRWDZBQOSA-N 0 3 392.524 5.531 50 0 GKAAHN CCN(CC)Cc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000024926618 570398694 /nfs/dbraw/zinc/39/86/94/570398694.db2.gz DGASTZKBJBGHCB-UHFFFAOYSA-N 0 3 385.558 5.274 50 0 GKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093857 570415798 /nfs/dbraw/zinc/41/57/98/570415798.db2.gz CNQGAEKVQKGUFW-OAQYLSRUSA-N 0 3 395.934 5.086 50 0 GKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 ZINC000004904198 570416704 /nfs/dbraw/zinc/41/67/04/570416704.db2.gz ZKOPICUJOZTLHU-UHFFFAOYSA-N 0 3 389.495 5.059 50 0 GKAAHN CCN(CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(C)cc2s1 ZINC000005121779 570421767 /nfs/dbraw/zinc/42/17/67/570421767.db2.gz CMDGQZQOVNIXIV-PKNBQFBNSA-N 0 3 399.585 5.054 50 0 GKAAHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000005019732 570424362 /nfs/dbraw/zinc/42/43/62/570424362.db2.gz PCBHYDJSUMEFMJ-UHFFFAOYSA-N 0 3 391.895 5.418 50 0 GKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000005027708 570424731 /nfs/dbraw/zinc/42/47/31/570424731.db2.gz WBWFQGCNSJCFDP-KRWDZBQOSA-N 0 3 381.903 5.778 50 0 GKAAHN O=C(NC1CCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005073041 570428049 /nfs/dbraw/zinc/42/80/49/570428049.db2.gz INUADVSRRVLGHS-UHFFFAOYSA-N 0 3 390.571 5.204 50 0 GKAAHN Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCCC2)cc1 ZINC000027584462 570436851 /nfs/dbraw/zinc/43/68/51/570436851.db2.gz UXVCREADJRDTSU-DEOSSOPVSA-N 0 3 394.559 5.129 50 0 GKAAHN CC1(C)C[C@@](CCNCc2ccccc2F)(Cc2ccccc2Cl)CCO1 ZINC000005477666 570441170 /nfs/dbraw/zinc/44/11/70/570441170.db2.gz WITICCPQQTXLKK-HSZRJFAPSA-N 0 3 389.942 5.777 50 0 GKAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290330 570455533 /nfs/dbraw/zinc/45/55/33/570455533.db2.gz VEGDGZOBYLZYBF-OAQYLSRUSA-N 0 3 392.543 5.380 50 0 GKAAHN Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289718 570455700 /nfs/dbraw/zinc/45/57/00/570455700.db2.gz VSUZLIIUTRACJJ-HXUWFJFHSA-N 0 3 378.516 5.071 50 0 GKAAHN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000028290760 570455999 /nfs/dbraw/zinc/45/59/99/570455999.db2.gz XZQUTBHZWXBYAW-IBGZPJMESA-N 0 3 384.907 5.044 50 0 GKAAHN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000028290762 570456068 /nfs/dbraw/zinc/45/60/68/570456068.db2.gz XZQUTBHZWXBYAW-LJQANCHMSA-N 0 3 384.907 5.044 50 0 GKAAHN Cc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 ZINC000028293066 570457056 /nfs/dbraw/zinc/45/70/56/570457056.db2.gz WTZNQZXMIXOVGQ-QHCPKHFHSA-N 0 3 378.560 5.250 50 0 GKAAHN CCOc1ccc(Oc2ccc(NC(=O)CN(C)C3CCCCC3)cc2)cc1 ZINC000006510070 570462424 /nfs/dbraw/zinc/46/24/24/570462424.db2.gz LFXADSGOEIDZNC-UHFFFAOYSA-N 0 3 382.504 5.081 50 0 GKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000035841005 570463434 /nfs/dbraw/zinc/46/34/34/570463434.db2.gz RGQXMEJJOIIIBT-UHFFFAOYSA-N 0 3 382.498 5.863 50 0 GKAAHN Cc1ccccc1Cn1cccc1CN(Cc1cccc(F)c1)[C@@H](C)C(C)C ZINC000035841110 570463991 /nfs/dbraw/zinc/46/39/91/570463991.db2.gz OGGLOOZTDZOEEG-NRFANRHFSA-N 0 3 378.535 6.031 50 0 GKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843769 570464336 /nfs/dbraw/zinc/46/43/36/570464336.db2.gz AHYISSHOCDSJBD-LJQANCHMSA-N 0 3 398.953 6.376 50 0 GKAAHN Cc1ccc2c(CN3CCC(c4nc5ccccc5s4)CC3)cc(=O)oc2c1 ZINC000006589309 570485664 /nfs/dbraw/zinc/48/56/64/570485664.db2.gz SIFHWFXOSJHUNY-UHFFFAOYSA-N 0 3 390.508 5.091 50 0 GKAAHN CN1CCC([C@H]2Sc3ccccc3Oc3ccc(C(F)(F)F)cc32)CC1 ZINC000033885028 570491488 /nfs/dbraw/zinc/49/14/88/570491488.db2.gz DIHFQNZHVKVWQZ-LJQANCHMSA-N 0 3 379.447 5.986 50 0 GKAAHN Cc1cc(NCCNc2ncc(C(F)(F)F)cc2Cl)c2ccccc2n1 ZINC000089583203 570494795 /nfs/dbraw/zinc/49/47/95/570494795.db2.gz JLVNAYMMERNQNJ-UHFFFAOYSA-N 0 3 380.801 5.134 50 0 GKAAHN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1cccc(F)c1 ZINC000005190349 570499053 /nfs/dbraw/zinc/49/90/53/570499053.db2.gz UCEGOWGVZLOCAE-QTJGBDASSA-N 0 3 383.507 5.093 50 0 GKAAHN Clc1ccc([C@H](CCN2Cc3ccccc3C2)Cc2ccccc2Cl)cc1 ZINC000006661318 570525302 /nfs/dbraw/zinc/52/53/02/570525302.db2.gz YQFIRNJNNWCNNX-LJQANCHMSA-N 0 3 396.361 6.726 50 0 GKAAHN CC1=C(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(C)(C)CCC1 ZINC000000756622 570533836 /nfs/dbraw/zinc/53/38/36/570533836.db2.gz MNIYEJYDLLSSRA-UHFFFAOYSA-N 0 3 380.498 5.744 50 0 GKAAHN Clc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000006719407 570548052 /nfs/dbraw/zinc/54/80/52/570548052.db2.gz CTLQOGDOXJLDLY-IBGZPJMESA-N 0 3 379.331 5.775 50 0 biogenic GKAAHN CN1CCCC[C@H]1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000038465932 570579181 /nfs/dbraw/zinc/57/91/81/570579181.db2.gz JRECAXBHMULNJQ-MOVGKWKRSA-N 0 3 390.571 5.525 50 0 in-vitro GKAAHN Cc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000043004941 570624895 /nfs/dbraw/zinc/62/48/95/570624895.db2.gz FBWJNHHXRKMOQI-INIZCTEOSA-N 0 3 389.421 5.377 50 0 GKAAHN Cc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000036347333 570628766 /nfs/dbraw/zinc/62/87/66/570628766.db2.gz JZPGWRZLONRHNB-JOCHJYFZSA-N 0 3 384.445 5.811 50 0 GKAAHN CCOc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)cc1 ZINC000036347751 570630344 /nfs/dbraw/zinc/63/03/44/570630344.db2.gz RIJNJSBHQNIIEB-AREMUKBSSA-N 0 3 388.555 6.006 50 0 GKAAHN CCOc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)cc1 ZINC000036347752 570630365 /nfs/dbraw/zinc/63/03/65/570630365.db2.gz RIJNJSBHQNIIEB-SANMLTNESA-N 0 3 388.555 6.006 50 0 GKAAHN CSc1cccc(CN[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1 ZINC000012298921 570634781 /nfs/dbraw/zinc/63/47/81/570634781.db2.gz MCLJYVMLFASZFL-FQEVSTJZSA-N 0 3 385.483 5.040 50 0 GKAAHN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1cccc(F)c1 ZINC000013769850 570677275 /nfs/dbraw/zinc/67/72/75/570677275.db2.gz UCEGOWGVZLOCAE-QPTUXGOLSA-N 0 3 383.507 5.093 50 0 GKAAHN FC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000055542880 570695939 /nfs/dbraw/zinc/69/59/39/570695939.db2.gz VLZOVNZPTTZJGN-UHFFFAOYSA-N 0 3 396.456 5.695 50 0 GKAAHN CC[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(C)cc1 ZINC000017313313 570704022 /nfs/dbraw/zinc/70/40/22/570704022.db2.gz YMIFLLJNPRLMFG-HSZRJFAPSA-N 0 3 392.930 6.142 50 0 GKAAHN Cc1noc(C)c1COc1ccc(CN[C@H](c2cccs2)C(C)(C)C)cc1 ZINC000058014439 570707337 /nfs/dbraw/zinc/70/73/37/570707337.db2.gz HBZOEAVKOGWMLH-OAQYLSRUSA-N 0 3 384.545 5.809 50 0 GKAAHN c1c(CN[C@@H]2CCCc3ccccc32)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000058157774 570711705 /nfs/dbraw/zinc/71/17/05/570711705.db2.gz FWYJETBKUSGMAC-RUZDIDTESA-N 0 3 394.522 5.161 50 0 GKAAHN C[C@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940549 570713786 /nfs/dbraw/zinc/71/37/86/570713786.db2.gz MYMZZYMNEYVILS-GTNSWQLSSA-N 0 3 397.733 5.641 50 0 GKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCCC2)c1C ZINC000000935747 570726904 /nfs/dbraw/zinc/72/69/04/570726904.db2.gz SCNUURDAUCZNEA-FQEVSTJZSA-N 0 3 380.513 5.395 50 0 GKAAHN C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000005611037 570734883 /nfs/dbraw/zinc/73/48/83/570734883.db2.gz BEWVWNGYSGPFME-DUPGQGGVSA-N 0 3 391.942 5.726 50 0 GKAAHN CN1N=C2/C(=C/c3ccccc3)CN(Cc3ccccc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000063111069 570749668 /nfs/dbraw/zinc/74/96/68/570749668.db2.gz SPPOYKISQNMIHA-GEYYJOTKSA-N 0 3 393.534 5.245 50 0 GKAAHN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1 ZINC000013758882 570785906 /nfs/dbraw/zinc/78/59/06/570785906.db2.gz BYWHFODVRVSDOY-YMPZKCBVSA-N 0 3 385.935 5.217 50 0 GKAAHN O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(C2CCCC2)cc1 ZINC000005682050 570808113 /nfs/dbraw/zinc/80/81/13/570808113.db2.gz PWETWVJOLJVTCB-UHFFFAOYSA-N 0 3 391.555 5.291 50 0 GKAAHN CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000034929617 570811037 /nfs/dbraw/zinc/81/10/37/570811037.db2.gz CEMSRSNYEGPJLB-UHFFFAOYSA-N 0 3 393.575 5.720 50 0 GKAAHN CC(C)(C)c1cc(CN2CC=C(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000003292794 570852952 /nfs/dbraw/zinc/85/29/52/570852952.db2.gz YNQSTYMXSDATDX-UHFFFAOYSA-N 0 3 377.572 6.277 50 0 GKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000051329999 570923803 /nfs/dbraw/zinc/92/38/03/570923803.db2.gz DDNLDILWAAVVAZ-QHCPKHFHSA-N 0 3 389.543 5.049 50 0 GKAAHN CC[C@@H](C)c1ccc([C@@H](NCc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719029 571019557 /nfs/dbraw/zinc/01/95/57/571019557.db2.gz KFLHCPYOCSFYSL-KOSHJBKYSA-N 0 3 377.532 5.003 50 0 GKAAHN Cc1cccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)c1 ZINC000037559564 571031399 /nfs/dbraw/zinc/03/13/99/571031399.db2.gz XTWIGILPQLYDGN-UHFFFAOYSA-N 0 3 382.523 5.178 50 0 GKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000015679744 571044594 /nfs/dbraw/zinc/04/45/94/571044594.db2.gz HDITZNCMTHFBGD-UHFFFAOYSA-N 0 3 391.968 5.228 50 0 GKAAHN CCOc1ccccc1-c1nc(CN2CCC[C@@H](c3ccccc3)C2)c(C)o1 ZINC000015073902 210149558 /nfs/dbraw/zinc/14/95/58/210149558.db2.gz ZQNKPBCNBNRWRT-HXUWFJFHSA-N 0 3 376.500 5.428 50 0 GKAAHN Cc1nc(-c2cccc(NC(=O)CN[C@@H](c3cccs3)C(C)C)c2)cs1 ZINC000012810842 210013247 /nfs/dbraw/zinc/01/32/47/210013247.db2.gz YFJMYSJILKYCME-HXUWFJFHSA-N 0 3 385.558 5.105 50 0 GKAAHN c1sc2ccccc2c1-c1cc2c(c(OCc3ccccn3)c1)OCCNC2 ZINC000299782436 212037825 /nfs/dbraw/zinc/03/78/25/212037825.db2.gz FZIOXSPDOHLVBK-UHFFFAOYSA-N 0 3 388.492 5.024 50 0 GKAAHN CCCCN(CC)Cc1ccc(CNC(=S)Nc2c(C)cc(C)cc2C)o1 ZINC000003589092 204013864 /nfs/dbraw/zinc/01/38/64/204013864.db2.gz NMRNOEIYVKKYDF-UHFFFAOYSA-N 0 3 387.593 5.313 50 0 GKAAHN Cc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)cc1 ZINC000003665448 204018432 /nfs/dbraw/zinc/01/84/32/204018432.db2.gz CDRVHOWGQFYJOZ-UHFFFAOYSA-N 0 3 387.618 5.132 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2ccc(F)c(F)c2)[C@@H](C)C(C)C)c1 ZINC000004910157 204089890 /nfs/dbraw/zinc/08/98/90/204089890.db2.gz WMOLBJCSTOHAFT-FQEVSTJZSA-N 0 3 396.525 6.170 50 0 GKAAHN CCCCCC[C@]1(O)[C@@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000004424046 204044501 /nfs/dbraw/zinc/04/45/01/204044501.db2.gz DRYQTNXMKBICIH-ZYMCBDGHSA-N 0 3 393.615 6.826 50 0 GKAAHN Cc1cc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)nc2ccccc12 ZINC000005007194 204102738 /nfs/dbraw/zinc/10/27/38/204102738.db2.gz FGDZDIARDBXLSX-UHFFFAOYSA-N 0 3 391.518 5.435 50 0 GKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N([C@H]1CC[C@H](C)C1)CC2 ZINC000005033053 204104694 /nfs/dbraw/zinc/10/46/94/204104694.db2.gz ISLQETMKIRTGFE-FOMLIJIXSA-N 0 3 385.935 5.493 50 0 GKAAHN CCN1CCC(N(Cc2ccco2)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006877598 204218843 /nfs/dbraw/zinc/21/88/43/204218843.db2.gz YOZKDIUDYYLCJA-UHFFFAOYSA-N 0 3 396.318 5.105 50 0 GKAAHN COc1ccc(CNCc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000007538588 204242304 /nfs/dbraw/zinc/24/23/04/204242304.db2.gz RWUDWWITVPVQEO-UHFFFAOYSA-N 0 3 397.902 5.226 50 0 GKAAHN c1ccc(SCCOCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009050590 204297576 /nfs/dbraw/zinc/29/75/76/204297576.db2.gz JAJPVHZBJVFUHV-UHFFFAOYSA-N 0 3 398.597 5.285 50 0 GKAAHN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000012297468 204390694 /nfs/dbraw/zinc/39/06/94/204390694.db2.gz AXXYYFALLQKXAZ-IBGZPJMESA-N 0 3 376.525 5.052 50 0 GKAAHN COc1ccc(Br)cc1CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000019832388 204686898 /nfs/dbraw/zinc/68/68/98/204686898.db2.gz BUTDVNHGOWMBSA-OAQYLSRUSA-N 0 3 396.328 5.531 50 0 GKAAHN CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2ccccc2c1 ZINC000022199393 204776054 /nfs/dbraw/zinc/77/60/54/204776054.db2.gz UTJIVTRJHNHZCO-UHFFFAOYSA-N 0 3 387.310 5.607 50 0 GKAAHN Cc1cc([C@H](c2ccccc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545861 205037618 /nfs/dbraw/zinc/03/76/18/205037618.db2.gz BHZVJVWPPHWANJ-FQEVSTJZSA-N 0 3 380.513 5.477 50 0 GKAAHN O=C(NCc1ccco1)c1cccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000055901231 205150796 /nfs/dbraw/zinc/15/07/96/205150796.db2.gz REPWZTOCBJTEPU-QFIPXVFZSA-N 0 3 394.902 5.104 50 0 GKAAHN CC1=C(C)[C@H](NC2CCCCCCCCCCC2)N(Cc2ccccc2)C1=O ZINC000057284706 205155365 /nfs/dbraw/zinc/15/53/65/205155365.db2.gz WEHAAMMBWDNXJR-XMMPIXPASA-N 0 3 382.592 5.954 50 0 GKAAHN FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1 ZINC000000577115 206307946 /nfs/dbraw/zinc/30/79/46/206307946.db2.gz WJJYZXPHLSLMGE-UHFFFAOYSA-N 0 3 381.441 6.190 50 0 world GKAAHN CCOc1ccc(C2=C(CN(C)C)[C@@H](c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000002060249 206397410 /nfs/dbraw/zinc/39/74/10/206397410.db2.gz WDELZKCCPVJIQH-SANMLTNESA-N 0 3 399.534 5.891 50 0 GKAAHN FC(F)(F)c1cc(NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc2n1 ZINC000089866636 211186592 /nfs/dbraw/zinc/18/65/92/211186592.db2.gz DDVQXCBTHVZSPZ-SFHVURJKSA-N 0 3 389.421 5.486 50 0 GKAAHN FC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429511 211117494 /nfs/dbraw/zinc/11/74/94/211117494.db2.gz XMBPOKYOGNTIOB-UHFFFAOYSA-N 0 3 389.474 5.279 50 0 GKAAHN FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3cncn3C3CC3)C2)c1 ZINC000072143552 211074754 /nfs/dbraw/zinc/07/47/54/211074754.db2.gz OOSWQAKVBMXMOV-KRWDZBQOSA-N 0 3 377.454 5.082 50 0 GKAAHN CC(C)c1ncc(CN2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071614120 211052252 /nfs/dbraw/zinc/05/22/52/211052252.db2.gz MXYBYEURVNATAU-SFHVURJKSA-N 0 3 391.481 5.464 50 0 GKAAHN Clc1ccc(-c2noc3c2CN(CCc2c[nH]c4ccccc24)CC3)cc1 ZINC000067678470 211014789 /nfs/dbraw/zinc/01/47/89/211014789.db2.gz LGVHEIOEZXCMEF-UHFFFAOYSA-N 0 3 377.875 5.077 50 0 GKAAHN COc1ccc(-c2nc(CN3CCC[C@H](c4ccccc4)C3)c(C)o2)cc1OC ZINC000015072688 207043990 /nfs/dbraw/zinc/04/39/90/207043990.db2.gz KBUOETHZDPGIJY-FQEVSTJZSA-N 0 3 392.499 5.047 50 0 GKAAHN CN(Cc1ccccc1)C(=O)CCC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000015071024 207044177 /nfs/dbraw/zinc/04/41/77/207044177.db2.gz HTRRHUWSFAEASP-UHFFFAOYSA-N 0 3 390.527 5.084 50 0 GKAAHN Cc1ccccc1[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017312527 207087576 /nfs/dbraw/zinc/08/75/76/207087576.db2.gz VUONHJDMTZIISC-FQEVSTJZSA-N 0 3 382.511 5.153 50 0 GKAAHN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(Cl)c1 ZINC000017314593 207088482 /nfs/dbraw/zinc/08/84/82/207088482.db2.gz HZLWOHWYHKADMM-OAHLLOKOSA-N 0 3 399.321 6.097 50 0 GKAAHN CC(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000020157536 207182224 /nfs/dbraw/zinc/18/22/24/207182224.db2.gz MEHRZPOPXHACDR-UHFFFAOYSA-N 0 3 384.523 5.621 50 0 GKAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc3c(c1)Cc1ccccc1-3)NCC2 ZINC000020494880 207199217 /nfs/dbraw/zinc/19/92/17/207199217.db2.gz JWEDNZOJOJECSJ-AREMUKBSSA-N 0 3 385.507 5.290 50 0 GKAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1C ZINC000020777606 207215186 /nfs/dbraw/zinc/21/51/86/207215186.db2.gz HQSSKEJSKVZLNF-KRWDZBQOSA-N 0 3 397.469 5.052 50 0 GKAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290610 207339379 /nfs/dbraw/zinc/33/93/79/207339379.db2.gz JEPVQFADZPULBH-XBEJUPMFSA-N 0 3 392.587 5.505 50 0 GKAAHN CC(C)(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1 ZINC000028293444 207339392 /nfs/dbraw/zinc/33/93/92/207339392.db2.gz QMDAYUNFDSGTEX-JOCHJYFZSA-N 0 3 398.978 5.595 50 0 GKAAHN Cc1cc([C@H](c2ccc(C)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545887 207558354 /nfs/dbraw/zinc/55/83/54/207558354.db2.gz STRZOMZQIADQKN-NRFANRHFSA-N 0 3 394.540 5.786 50 0 GKAAHN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CCCC3)c2cc1C ZINC000095475080 208193738 /nfs/dbraw/zinc/19/37/38/208193738.db2.gz JUMHPEWOEABQIO-UHFFFAOYSA-N 0 3 388.467 5.122 50 0 GKAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc3cnccc32)cc1 ZINC000096165183 208280382 /nfs/dbraw/zinc/28/03/82/208280382.db2.gz RRVDPYFHCGKPKF-QHCPKHFHSA-N 0 3 388.515 5.056 50 0 GKAAHN CCOc1cc2c(cc1OCC)[C@H](c1cccc(Oc3ccccc3)c1)NCC2 ZINC000020506952 210342806 /nfs/dbraw/zinc/34/28/06/210342806.db2.gz PHSMLDZTNUALIF-VWLOTQADSA-N 0 3 389.495 5.511 50 0 biogenic GKAAHN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C/C=C/c1ccccc1 ZINC000020529079 210342650 /nfs/dbraw/zinc/34/26/50/210342650.db2.gz YHYQZSVKBBWONV-YTWDQVMYSA-N 0 3 391.555 5.467 50 0 biogenic GKAAHN CCN(CC)CCN(C(=O)c1cc(C)ccc1C)c1nc2c(cccc2C)s1 ZINC000004359468 208542704 /nfs/dbraw/zinc/54/27/04/208542704.db2.gz GXVIEVNRLXESCF-UHFFFAOYSA-N 0 3 395.572 5.210 50 0 GKAAHN CC(C)CCN1C(=O)c2ccccc2[C@H]1NC1CCCCCCCCCCC1 ZINC000009678656 221088221 /nfs/dbraw/zinc/08/82/21/221088221.db2.gz ZIGKTYFCFBILDS-DEOSSOPVSA-N 0 3 384.608 6.450 50 0 GKAAHN Cc1c(CNCc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315628 221100400 /nfs/dbraw/zinc/10/04/00/221100400.db2.gz KSWOMVGPZHOZHW-UHFFFAOYSA-N 0 3 392.905 6.080 50 0 GKAAHN CSc1ccc(CN2CCC(c3n[nH]cc3-c3ccccc3C)CC2)cc1 ZINC000011785083 221125185 /nfs/dbraw/zinc/12/51/85/221125185.db2.gz SUWWHPMCLLAMFG-UHFFFAOYSA-N 0 3 377.557 5.487 50 0 GKAAHN O=C(c1cccc2ccccc21)[C@@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000011817495 221127381 /nfs/dbraw/zinc/12/73/81/221127381.db2.gz COMNVYYZHKSBLL-JOCHJYFZSA-N 0 3 380.491 5.483 50 0 GKAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000011938519 221140315 /nfs/dbraw/zinc/14/03/15/221140315.db2.gz WLCDGMBPWBWDOQ-OAQYLSRUSA-N 0 3 395.934 5.686 50 0 GKAAHN Fc1ccc(-n2cc(CNCc3ccncc3)c(-c3ccccc3Cl)n2)cc1 ZINC000012303787 221176981 /nfs/dbraw/zinc/17/69/81/221176981.db2.gz POALTKCFGGXKSR-UHFFFAOYSA-N 0 3 392.865 5.017 50 0 GKAAHN Cc1oc(-c2cccc(F)c2)nc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000012308499 221178995 /nfs/dbraw/zinc/17/89/95/221178995.db2.gz FZNMGFRHMFYOAJ-OAQYLSRUSA-N 0 3 379.479 5.171 50 0 GKAAHN Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1CCc1cccc(O)c1 ZINC000012586806 221211527 /nfs/dbraw/zinc/21/15/27/221211527.db2.gz SJNYHXZYHUBYLG-IBGZPJMESA-N 0 3 382.529 5.404 50 0 GKAAHN CC[C@@H](c1ccc(Cl)cc1)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048363741 221990109 /nfs/dbraw/zinc/99/01/09/221990109.db2.gz STWUAHKFDMGMLT-QFIPXVFZSA-N 0 3 384.951 5.005 50 0 GKAAHN CCCCc1ncc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)[nH]1 ZINC000055182587 222015989 /nfs/dbraw/zinc/01/59/89/222015989.db2.gz LRPVEPDPDSOSRE-QGZVFWFLSA-N 0 3 387.531 5.250 50 0 GKAAHN CC(C)c1ncc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071614118 222185134 /nfs/dbraw/zinc/18/51/34/222185134.db2.gz MXYBYEURVNATAU-GOSISDBHSA-N 0 3 391.481 5.464 50 0 GKAAHN CC(=O)c1cccc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000012612457 518421914 /nfs/dbraw/zinc/42/19/14/518421914.db2.gz BXHRMWZSDINCCO-UHFFFAOYSA-N 0 3 398.934 5.174 50 0 GKAAHN CN1CCCC[C@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000003825191 560189854 /nfs/dbraw/zinc/18/98/54/560189854.db2.gz URKVBEKZCMUTQC-FQEVSTJZSA-N 0 3 382.507 5.510 50 0 in-vitro GKAAHN CN(C)CCOc1ccc(N[C@@H]2c3ccccc3CSc3ccccc32)cc1 ZINC000000702113 570218256 /nfs/dbraw/zinc/21/82/56/570218256.db2.gz DUBXCYUMCWFEIA-XMMPIXPASA-N 0 3 390.552 5.434 50 0 GKAAHN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019813171 570221553 /nfs/dbraw/zinc/22/15/53/570221553.db2.gz HEONQQNRIPGYCO-UHFFFAOYSA-N 0 3 390.914 5.459 50 0 GKAAHN COc1ccccc1-c1nc(CN2CCC[C@H](c3cccc(C)c3)C2)c(C)o1 ZINC000019884838 570227660 /nfs/dbraw/zinc/22/76/60/570227660.db2.gz QQUIKEOGZJYBSM-FQEVSTJZSA-N 0 3 376.500 5.347 50 0 GKAAHN FC(F)(F)c1ccc(-c2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cs2)cc1 ZINC000022637512 570275257 /nfs/dbraw/zinc/27/52/57/570275257.db2.gz IXNCISDMXHZUQE-GOEBONIOSA-N 0 3 380.479 5.841 50 0 GKAAHN Cc1ccc(C)c2c(=O)cc(CN(Cc3ccc(Cl)cc3)CC(C)C)[nH]c12 ZINC000015862294 570278807 /nfs/dbraw/zinc/27/88/07/570278807.db2.gz XRJOZXOKKMFPBV-UHFFFAOYSA-N 0 3 382.935 5.457 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccco3)c3ccccc3)CC2)cc1C ZINC000034683465 570300900 /nfs/dbraw/zinc/30/09/00/570300900.db2.gz KSONAVXGZXPIFP-UHFFFAOYSA-N 0 3 388.511 5.208 50 0 GKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C1CCC(C)CC1)CC2 ZINC000022023274 570302204 /nfs/dbraw/zinc/30/22/04/570302204.db2.gz MHNDOIQKQODLFA-GLVQYQCOSA-N 0 3 399.962 5.883 50 0 GKAAHN Clc1ccc(COc2ccc(Br)cc2CNC2CCCC2)cc1 ZINC000022074247 570304817 /nfs/dbraw/zinc/30/48/17/570304817.db2.gz UPEBCOVSZPRDPY-UHFFFAOYSA-N 0 3 394.740 5.714 50 0 GKAAHN CC(C(=O)Nc1ccc(CN2CCCCC2)cc1)(c1ccccc1)c1ccccc1 ZINC000002840958 570306963 /nfs/dbraw/zinc/30/69/63/570306963.db2.gz NVCLJBNICLDDBM-UHFFFAOYSA-N 0 3 398.550 5.617 50 0 GKAAHN CCOc1cc(CNC2CCCCC2)c(Br)cc1OC1CCCC1 ZINC000002845923 570307571 /nfs/dbraw/zinc/30/75/71/570307571.db2.gz YRVFGTVHYORVKA-UHFFFAOYSA-N 0 3 396.369 5.592 50 0 GKAAHN CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739891 570327357 /nfs/dbraw/zinc/32/73/57/570327357.db2.gz VVJMFUZZRXYGJP-UCNVEGJOSA-N 0 3 384.951 5.208 50 0 GKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000004899036 570358642 /nfs/dbraw/zinc/35/86/42/570358642.db2.gz AOXXLSYBPYSIPW-OAQYLSRUSA-N 0 3 395.934 5.086 50 0 GKAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004176974 570361132 /nfs/dbraw/zinc/36/11/32/570361132.db2.gz KLOBRRLODJPCDR-YYGZZXRFSA-N 0 3 385.551 5.708 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2ccc(F)cc2)[C@H](C)C(C)C)c1 ZINC000004907896 570361311 /nfs/dbraw/zinc/36/13/11/570361311.db2.gz GTVALLXDVNUQPM-OAQYLSRUSA-N 0 3 378.535 6.031 50 0 GKAAHN C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004375783 570372237 /nfs/dbraw/zinc/37/22/37/570372237.db2.gz NTQGEZJOMVFLMK-XUVDGOIQSA-N 0 3 375.487 5.468 50 0 GKAAHN CC1(C)CC(=O)C[C@@]2(C1)NC[C@@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908172 570374993 /nfs/dbraw/zinc/37/49/93/570374993.db2.gz YDXXMDROEYQMOS-UUOWRZLLSA-N 0 3 392.930 5.531 50 0 GKAAHN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(CC)cc2)CC1 ZINC000004725522 570398166 /nfs/dbraw/zinc/39/81/66/570398166.db2.gz WAVRVKNMAHYRHY-UHFFFAOYSA-N 0 3 392.587 5.290 50 0 GKAAHN Clc1ccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025426284 570413661 /nfs/dbraw/zinc/41/36/61/570413661.db2.gz SJUNBXNHZLULCE-GCJKJVERSA-N 0 3 393.317 6.299 50 0 GKAAHN Clc1ccc(Oc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)cc1 ZINC000004978116 570421318 /nfs/dbraw/zinc/42/13/18/570421318.db2.gz FGJDFFFBSXBBRA-UHFFFAOYSA-N 0 3 391.942 6.587 50 0 GKAAHN COc1ccccc1[C@@]1(CCNCc2ccccc2F)CCO[C@H](C(C)C)C1 ZINC000005025032 570424656 /nfs/dbraw/zinc/42/46/56/570424656.db2.gz KCYOBLYWPXGPGW-ZEQRLZLVSA-N 0 3 385.523 5.087 50 0 GKAAHN O=C(NCc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005073049 570428131 /nfs/dbraw/zinc/42/81/31/570428131.db2.gz QLTRKOGBHRURAQ-UHFFFAOYSA-N 0 3 398.550 5.071 50 0 GKAAHN O=C(Cc1cccc2ccccc21)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662516 570438677 /nfs/dbraw/zinc/43/86/77/570438677.db2.gz LMWAHCDSSJNFIJ-QFIPXVFZSA-N 0 3 392.568 5.177 50 0 GKAAHN Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027664681 570439710 /nfs/dbraw/zinc/43/97/10/570439710.db2.gz SGLOCGRDXJXUNL-JOCHJYFZSA-N 0 3 390.527 5.397 50 0 GKAAHN Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCCC2)cc1 ZINC000027744222 570441076 /nfs/dbraw/zinc/44/10/76/570441076.db2.gz URVWEYNPMLDFQF-UEMNXXGQSA-N 0 3 394.603 5.245 50 0 GKAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290328 570455501 /nfs/dbraw/zinc/45/55/01/570455501.db2.gz VEGDGZOBYLZYBF-NRFANRHFSA-N 0 3 392.543 5.380 50 0 GKAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028290608 570456100 /nfs/dbraw/zinc/45/61/00/570456100.db2.gz JEPVQFADZPULBH-FTCDTSOASA-N 0 3 392.587 5.505 50 0 GKAAHN CCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1 ZINC000028291828 570456444 /nfs/dbraw/zinc/45/64/44/570456444.db2.gz SOSGZCHWTMXEPR-HSZRJFAPSA-N 0 3 394.559 5.166 50 0 GKAAHN Cc1ccccc1CN(Cc1cccn1Cc1ccccc1)CC1CCCCC1 ZINC000035840980 570463304 /nfs/dbraw/zinc/46/33/04/570463304.db2.gz YZAAOQFREGATHB-UHFFFAOYSA-N 0 3 386.583 6.427 50 0 GKAAHN Cc1ccccc1CN(CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000035841003 570463461 /nfs/dbraw/zinc/46/34/61/570463461.db2.gz NZBOUNMCCHSDHQ-UHFFFAOYSA-N 0 3 378.535 6.032 50 0 GKAAHN Cc1ccccc1Cn1cccc1CN(Cc1cccc(F)c1)C1CCCCC1 ZINC000035841096 570463806 /nfs/dbraw/zinc/46/38/06/570463806.db2.gz NWGITGPSPJVKDG-UHFFFAOYSA-N 0 3 390.546 6.319 50 0 GKAAHN COCCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C)c1 ZINC000035843740 570463825 /nfs/dbraw/zinc/46/38/25/570463825.db2.gz UNIXTTSIYZTKPO-UHFFFAOYSA-N 0 3 380.507 5.023 50 0 GKAAHN CN(C)Cc1cccc([C@H](O)[C@H]2c3ccccc3CSc3ccccc32)c1 ZINC000006637808 570485812 /nfs/dbraw/zinc/48/58/12/570485812.db2.gz SPLBTLHSWXXNDH-ZEQRLZLVSA-N 0 3 375.537 5.219 50 0 GKAAHN CC(C)(C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000006882523 570498265 /nfs/dbraw/zinc/49/82/65/570498265.db2.gz RIDORKMZYLJNEL-UHFFFAOYSA-N 0 3 382.729 5.570 50 0 GKAAHN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1cccc(F)c1 ZINC000005190382 570498921 /nfs/dbraw/zinc/49/89/21/570498921.db2.gz UCEGOWGVZLOCAE-JRFVFWCSSA-N 0 3 383.507 5.093 50 0 GKAAHN CCCc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000006624472 570508532 /nfs/dbraw/zinc/50/85/32/570508532.db2.gz QROSJJZDPVLDOR-JOCHJYFZSA-N 0 3 382.548 5.429 50 0 biogenic GKAAHN COc1ccc(OC)c(-c2n[nH]cc2CN2CCCCC[C@H]2c2cccs2)c1 ZINC000033087089 570519939 /nfs/dbraw/zinc/51/99/39/570519939.db2.gz JINHFIWIPRSXSW-IBGZPJMESA-N 0 3 397.544 5.273 50 0 GKAAHN C[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006654430 570521087 /nfs/dbraw/zinc/52/10/87/570521087.db2.gz KHDYYLBIZKTUGB-HNNXBMFYSA-N 0 3 399.321 6.097 50 0 GKAAHN COc1cc2c(cc1CN(C)CCc1ccccn1)oc(C)c2-c1ccccc1 ZINC000022077712 570537748 /nfs/dbraw/zinc/53/77/48/570537748.db2.gz MMBDZXYVSOKBKG-UHFFFAOYSA-N 0 3 386.495 5.486 50 0 GKAAHN COc1cc2c(cc1CN(C)CCc1ccccc1)oc(C)c2-c1ccccc1 ZINC000022077752 570537755 /nfs/dbraw/zinc/53/77/55/570537755.db2.gz FWOCJOZGUIKRAJ-UHFFFAOYSA-N 0 3 385.507 6.091 50 0 GKAAHN CCOc1ccc2oc(=O)cc(CN(Cc3ccco3)[C@@H]3CCCC[C@@H]3C)c2c1 ZINC000006743160 570564472 /nfs/dbraw/zinc/56/44/72/570564472.db2.gz FIRZFCWFKHGZEO-HTAPYJJXSA-N 0 3 395.499 5.366 50 0 GKAAHN CCOc1ccc2oc(=O)cc(CN(Cc3ccco3)[C@H]3CCCC[C@@H]3C)c2c1 ZINC000006743162 570564504 /nfs/dbraw/zinc/56/45/04/570564504.db2.gz FIRZFCWFKHGZEO-JTSKRJEESA-N 0 3 395.499 5.366 50 0 GKAAHN CC1CCN(Cc2nn(-c3ccc(Cl)cc3)c(N)c2-c2ccccc2)CC1 ZINC000006787088 570592425 /nfs/dbraw/zinc/59/24/25/570592425.db2.gz RLTGNLNFRJCWCC-UHFFFAOYSA-N 0 3 380.923 5.007 50 0 GKAAHN C=CN1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000136611892 570631676 /nfs/dbraw/zinc/63/16/76/570631676.db2.gz AQAGPBXWLXHMCE-IQGLISFBSA-N 0 3 379.544 5.749 50 0 GKAAHN COc1ccc(-c2n[nH]cc2CN(C)Cc2cc3ccccc3s2)cc1F ZINC000012316201 570641145 /nfs/dbraw/zinc/64/11/45/570641145.db2.gz YIBMYGMFXBCZSN-UHFFFAOYSA-N 0 3 381.476 5.071 50 0 GKAAHN CCc1ccc(NC(=O)C2CCN(Cc3csc4c3CCCC4)CC2)cc1 ZINC000006857891 570650701 /nfs/dbraw/zinc/65/07/01/570650701.db2.gz MXWKXNSEABYJMS-UHFFFAOYSA-N 0 3 382.573 5.040 50 0 GKAAHN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000012386880 570651833 /nfs/dbraw/zinc/65/18/33/570651833.db2.gz VOIIKOBPSQLYOG-WEVVVXLNSA-N 0 3 386.495 5.311 50 0 GKAAHN CSc1cccc(CN[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012431023 570659464 /nfs/dbraw/zinc/65/94/64/570659464.db2.gz AADDJWQPMVTQBM-OAQYLSRUSA-N 0 3 377.557 5.378 50 0 GKAAHN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(CC1CCCCC1)CC2 ZINC000049590039 570665212 /nfs/dbraw/zinc/66/52/12/570665212.db2.gz GUOBFSYQCIFNOW-XMMPIXPASA-N 0 3 399.962 5.885 50 0 GKAAHN O=C(CCN1CCCCC1)O[C@@H]1CCCC[C@@H]1SCc1ccc(Cl)cc1 ZINC000005634262 570676828 /nfs/dbraw/zinc/67/68/28/570676828.db2.gz VAVXGZXHFVMMQV-UXHICEINSA-N 0 3 395.996 5.304 50 0 GKAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000012563239 570680445 /nfs/dbraw/zinc/68/04/45/570680445.db2.gz QTRIGFJYNKGEIO-FXSWLTOZSA-N 0 3 389.514 5.761 50 0 GKAAHN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000008863033 570683724 /nfs/dbraw/zinc/68/37/24/570683724.db2.gz ZNKBFAOYUZWGNL-SFHVURJKSA-N 0 3 396.478 5.114 50 0 GKAAHN O=C(CCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)N1CCCC1 ZINC000012707624 570701154 /nfs/dbraw/zinc/70/11/54/570701154.db2.gz NNGYFPVTJJBUFB-UHFFFAOYSA-N 0 3 392.543 5.094 50 0 GKAAHN C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 ZINC000057218388 570701331 /nfs/dbraw/zinc/70/13/31/570701331.db2.gz GEHHLTOPYDVSEU-IBGZPJMESA-N 0 3 393.914 5.588 50 0 GKAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(C/C=C/c3ccccc3)C2)c(C)c1 ZINC000012709190 570701661 /nfs/dbraw/zinc/70/16/61/570701661.db2.gz GWQDCZANXKIOBJ-FLVSMNSFSA-N 0 3 392.543 5.148 50 0 GKAAHN C[C@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1Cl ZINC000057222625 570701855 /nfs/dbraw/zinc/70/18/55/570701855.db2.gz IKYUAVBPKPMSMZ-LJQANCHMSA-N 0 3 393.914 5.588 50 0 GKAAHN CCCC(=O)Nc1ccc(CNCc2c(OC(F)F)ccc3ccccc32)cc1 ZINC000059037068 570737003 /nfs/dbraw/zinc/73/70/03/570737003.db2.gz HMIKOVTXXPXPBT-UHFFFAOYSA-N 0 3 398.453 5.470 50 0 GKAAHN CCOc1cc(CN[C@H]2CCCc3ccccc32)cc(Br)c1OC ZINC000025259531 570744743 /nfs/dbraw/zinc/74/47/43/570744743.db2.gz DAIFRQHNXOPIES-SFHVURJKSA-N 0 3 390.321 5.024 50 0 GKAAHN CN1N=C2/C(=C/c3ccccc3)CN(Cc3ccccc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000013395999 570753800 /nfs/dbraw/zinc/75/38/00/570753800.db2.gz SPPOYKISQNMIHA-LWDDGCSTSA-N 0 3 393.534 5.245 50 0 GKAAHN C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468152 570755589 /nfs/dbraw/zinc/75/55/89/570755589.db2.gz NTQGEZJOMVFLMK-BEDYVLDCSA-N 0 3 375.487 5.468 50 0 GKAAHN CCc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O ZINC000036614394 570758546 /nfs/dbraw/zinc/75/85/46/570758546.db2.gz INNVAFCCUUWNAL-QTJGBDASSA-N 0 3 399.962 5.476 50 0 GKAAHN c1coc(-c2c(-c3ccccc3)ncn2C[C@@H](c2cccnc2)N2CCCC2)c1 ZINC000065424903 570768067 /nfs/dbraw/zinc/76/80/67/570768067.db2.gz SVQPQWZWHNPOPK-NRFANRHFSA-N 0 3 384.483 5.042 50 0 GKAAHN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000032868806 570862157 /nfs/dbraw/zinc/86/21/57/570862157.db2.gz BSWKTEURLOSQEY-UHFFFAOYSA-N 0 3 384.523 5.516 50 0 GKAAHN COc1cccc(-c2nc3cc(F)ccc3cc2CNCc2ccc(F)cc2)c1 ZINC000014979857 570869187 /nfs/dbraw/zinc/86/91/87/570869187.db2.gz GKUIHXUESHOQOE-UHFFFAOYSA-N 0 3 390.433 5.478 50 0 GKAAHN COc1cccc(Cn2cccc2CN(CCC(C)C)Cc2cccc(F)c2)c1 ZINC000004573651 570898574 /nfs/dbraw/zinc/89/85/74/570898574.db2.gz AYSGLIDEVWIZDC-UHFFFAOYSA-N 0 3 394.534 5.732 50 0 GKAAHN O[C@H](CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000105714414 570931631 /nfs/dbraw/zinc/93/16/31/570931631.db2.gz UVSZGDFFYYPRTA-VQIMIIECSA-N 0 3 375.946 5.144 50 0 GKAAHN Clc1ccc([C@@H](NCCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000025778178 570957786 /nfs/dbraw/zinc/95/77/86/570957786.db2.gz JIZIBINCTSCJKL-QHCPKHFHSA-N 0 3 379.887 5.033 50 0 GKAAHN O=C([C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)N1CCCCCC1 ZINC000004745264 570959958 /nfs/dbraw/zinc/95/99/58/570959958.db2.gz RPXBDMVRKRLROV-JOCHJYFZSA-N 0 3 392.543 5.094 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2cc(F)cc(F)c2)[C@H](C)C(C)C)c1 ZINC000004793105 570992933 /nfs/dbraw/zinc/99/29/33/570992933.db2.gz XMAWLRCSHSGOBT-HXUWFJFHSA-N 0 3 396.525 6.170 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2cc(F)cc(F)c2)[C@@H](C)C(C)C)c1 ZINC000004793102 570993169 /nfs/dbraw/zinc/99/31/69/570993169.db2.gz XMAWLRCSHSGOBT-FQEVSTJZSA-N 0 3 396.525 6.170 50 0 GKAAHN CC[C@H](C)c1ccc([C@@H](NCc2cc(=O)n3cc(C)ccc3n2)C(C)C)cc1 ZINC000007719031 571019480 /nfs/dbraw/zinc/01/94/80/571019480.db2.gz KFLHCPYOCSFYSL-UUOWRZLLSA-N 0 3 377.532 5.003 50 0 GKAAHN CC(C)[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000012786580 571039236 /nfs/dbraw/zinc/03/92/36/571039236.db2.gz XHWOGEAKYCOZDM-IFXJQAMLSA-N 0 3 393.512 5.293 50 0 GKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015679754 571044608 /nfs/dbraw/zinc/04/46/08/571044608.db2.gz WNCWGLXVLMHAFM-UHFFFAOYSA-N 0 3 395.931 5.059 50 0 GKAAHN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21 ZINC000019369768 210245463 /nfs/dbraw/zinc/24/54/63/210245463.db2.gz DURVLIGDHLMYBV-UHFFFAOYSA-N 0 3 397.566 5.441 50 0 GKAAHN Cc1ccccc1[C@@H](C)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000017312521 210210502 /nfs/dbraw/zinc/21/05/02/210210502.db2.gz CSBJKUAOISZTHJ-QGZVFWFLSA-N 0 3 378.903 5.752 50 0 GKAAHN CC1CCN([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 ZINC000002708337 209377912 /nfs/dbraw/zinc/37/79/12/209377912.db2.gz UXXHOPRBEMDSNW-QHCPKHFHSA-N 0 3 394.603 6.204 50 0 GKAAHN CC(C)C[NH+](Cc1cc(=O)oc2cc(-c3ccccc3)c([O-])cc12)CC(C)C ZINC000002408596 212145170 /nfs/dbraw/zinc/14/51/70/212145170.db2.gz XEHWSJRSCYMVBC-UHFFFAOYSA-N 0 3 379.500 5.280 50 0 GKAAHN Fc1ccc(C(CCCN2CCN3CCCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000019782316 212111450 /nfs/dbraw/zinc/11/14/50/212111450.db2.gz BDBNCAYIESYZJS-HSZRJFAPSA-N 0 3 384.514 5.047 50 0 GKAAHN CCOc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000003644655 204016279 /nfs/dbraw/zinc/01/62/79/204016279.db2.gz SSZPKFQNZNKWCD-UHFFFAOYSA-N 0 3 381.903 5.608 50 0 GKAAHN Clc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1 ZINC000003642686 204017336 /nfs/dbraw/zinc/01/73/36/204017336.db2.gz SLUYGUCJGKZYER-UHFFFAOYSA-N 0 3 375.903 5.794 50 0 GKAAHN CN(C)CCS[C@@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000004128180 204028731 /nfs/dbraw/zinc/02/87/31/204028731.db2.gz CGFSWQMESVHTJX-DEOSSOPVSA-N 0 3 391.605 5.879 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000004652794 204059783 /nfs/dbraw/zinc/05/97/83/204059783.db2.gz LIBIPIXHWFBTLG-BSWAZLHLSA-N 0 3 392.370 6.182 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2cccc(Cl)c2)[C@@H](C)C(C)C)c1 ZINC000004928452 204092889 /nfs/dbraw/zinc/09/28/89/204092889.db2.gz YTJWLVKQKAYQQO-NRFANRHFSA-N 0 3 394.990 6.545 50 0 GKAAHN FC(F)(F)c1cccc(N2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000004981168 204099331 /nfs/dbraw/zinc/09/93/31/204099331.db2.gz KYNCNXSGBDVDKN-UHFFFAOYSA-N 0 3 388.477 5.554 50 0 GKAAHN Cc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(C)CC1)O2 ZINC000005478250 204135249 /nfs/dbraw/zinc/13/52/49/204135249.db2.gz WRNFDPOIEKBYKA-XMMPIXPASA-N 0 3 397.522 5.114 50 0 GKAAHN Clc1cccc(Cl)c1OCCCCN1CCCC[C@@H]1c1cccnc1 ZINC000006719395 204194132 /nfs/dbraw/zinc/19/41/32/204194132.db2.gz MDGWRMQXFLWYIR-LJQANCHMSA-N 0 3 379.331 5.775 50 0 GKAAHN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000007072966 204232690 /nfs/dbraw/zinc/23/26/90/204232690.db2.gz IRZXCLGKGLMYTQ-LJQANCHMSA-N 0 3 380.532 5.204 50 0 GKAAHN O=C(NC[C@H]1CCCN(Cc2ccsc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011844516 204357550 /nfs/dbraw/zinc/35/75/50/204357550.db2.gz JNPWAIOYSXVXRU-LJQANCHMSA-N 0 3 390.552 5.057 50 0 GKAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000011938520 204364006 /nfs/dbraw/zinc/36/40/06/204364006.db2.gz WLCDGMBPWBWDOQ-NRFANRHFSA-N 0 3 395.934 5.686 50 0 GKAAHN Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000012150975 204377491 /nfs/dbraw/zinc/37/74/91/204377491.db2.gz FBWJNHHXRKMOQI-MRXNPFEDSA-N 0 3 389.421 5.377 50 0 GKAAHN Cc1oc(-c2cccc(F)c2)nc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000012308500 204393660 /nfs/dbraw/zinc/39/36/60/204393660.db2.gz FZNMGFRHMFYOAJ-NRFANRHFSA-N 0 3 379.479 5.171 50 0 GKAAHN Cc1ccc(CN2CCC(N(C(=O)CC(C)C)c3ccc(F)cc3)CC2)cc1 ZINC000037559562 205028257 /nfs/dbraw/zinc/02/82/57/205028257.db2.gz QENYBLGBRZGFLW-UHFFFAOYSA-N 0 3 382.523 5.178 50 0 GKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)N2CCCC2)c1C ZINC000038546843 205037864 /nfs/dbraw/zinc/03/78/64/205037864.db2.gz ZYPDLFJDCVQOTF-FQEVSTJZSA-N 0 3 396.581 5.864 50 0 GKAAHN c1c(CN[C@H]2CCCc3ccccc32)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000058157775 205165271 /nfs/dbraw/zinc/16/52/71/205165271.db2.gz FWYJETBKUSGMAC-VWLOTQADSA-N 0 3 394.522 5.161 50 0 GKAAHN CC(C)(C)C1(c2ccc(CN3CCc4ccccc4C3)cc2)OCC(C)(C)CO1 ZINC000003199940 205357846 /nfs/dbraw/zinc/35/78/46/205357846.db2.gz DYHZUZDRHDVUTF-UHFFFAOYSA-N 0 3 393.571 5.517 50 0 GKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCCC3)cc(=O)oc2c1C ZINC000095477903 211248755 /nfs/dbraw/zinc/24/87/55/211248755.db2.gz JGGHFDFUTLVOHE-UHFFFAOYSA-N 0 3 388.467 5.122 50 0 GKAAHN FC(F)(F)c1cc(NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2n1 ZINC000089866637 211184891 /nfs/dbraw/zinc/18/48/91/211184891.db2.gz DDVQXCBTHVZSPZ-GOSISDBHSA-N 0 3 389.421 5.486 50 0 GKAAHN O=C(CC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)N1CCCC1 ZINC000015079376 207045622 /nfs/dbraw/zinc/04/56/22/207045622.db2.gz ONQJRSPXJULCRX-INIZCTEOSA-N 0 3 390.980 5.169 50 0 GKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000015679753 207055599 /nfs/dbraw/zinc/05/55/99/207055599.db2.gz APXXVCDOOYBKKH-UHFFFAOYSA-N 0 3 391.968 5.228 50 0 GKAAHN Cc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037560026 210743585 /nfs/dbraw/zinc/74/35/85/210743585.db2.gz GSXZQXARQPRRBW-UHFFFAOYSA-N 0 3 378.560 5.347 50 0 GKAAHN COc1ccc([C@@H](NCC(=O)N(Cc2ccco2)C2=CCCCC2)C(C)C)cc1 ZINC000016695446 207076912 /nfs/dbraw/zinc/07/69/12/207076912.db2.gz NSZWLXRBAUGTEN-DEOSSOPVSA-N 0 3 396.531 5.062 50 0 GKAAHN COc1ccc(F)c(-c2nc(CN3CCC[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020534574 207200544 /nfs/dbraw/zinc/20/05/44/207200544.db2.gz MWYHHZQJYKGZMG-SFHVURJKSA-N 0 3 380.463 5.177 50 0 GKAAHN c1cn(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022035274 207247301 /nfs/dbraw/zinc/24/73/01/207247301.db2.gz HNZOXLJWFKYXJX-UHFFFAOYSA-N 0 3 395.550 5.049 50 0 GKAAHN COc1ccc(CN(Cc2nc3ccccc3o2)[C@H](C)Cc2cccs2)cc1 ZINC000024892691 207297464 /nfs/dbraw/zinc/29/74/64/207297464.db2.gz ISETZIVDTGKFDB-QGZVFWFLSA-N 0 3 392.524 5.531 50 0 GKAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(Cl)s2)cc1 ZINC000031077513 207379221 /nfs/dbraw/zinc/37/92/21/207379221.db2.gz ZDAGLSBKVCTBJX-UHFFFAOYSA-N 0 3 384.932 5.060 50 0 GKAAHN Cc1cc([C@H](c2ccccc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546225 207559263 /nfs/dbraw/zinc/55/92/63/207559263.db2.gz BVTYFVCXRUVZBR-NRFANRHFSA-N 0 3 394.540 5.723 50 0 GKAAHN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020363685 210328910 /nfs/dbraw/zinc/32/89/10/210328910.db2.gz XWFPLMMJGVXPLE-UHFFFAOYSA-N 0 3 398.550 5.929 50 0 GKAAHN FC(F)(F)c1ccccc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000019832137 210300236 /nfs/dbraw/zinc/30/02/36/210300236.db2.gz XHPHWRJOOHMQKY-UHFFFAOYSA-N 0 3 384.445 5.176 50 0 GKAAHN C[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1 ZINC000019872084 210304134 /nfs/dbraw/zinc/30/41/34/210304134.db2.gz BJMUGVJXKMIWFB-SBUREZEXSA-N 0 3 381.903 5.131 50 0 GKAAHN CCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000005500115 220877008 /nfs/dbraw/zinc/87/70/08/220877008.db2.gz XHGFEMPMNKWHTG-OAQYLSRUSA-N 0 3 395.934 5.004 50 0 GKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCCC2)c1C ZINC000005721688 220893683 /nfs/dbraw/zinc/89/36/83/220893683.db2.gz OIOOQJJMAOYJLT-QFIPXVFZSA-N 0 3 390.552 5.802 50 0 GKAAHN CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008327058 221037230 /nfs/dbraw/zinc/03/72/30/221037230.db2.gz JMCGQJQVMVHQHO-MRXNPFEDSA-N 0 3 388.722 5.086 50 0 GKAAHN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1C(F)(F)F ZINC000008863073 221061762 /nfs/dbraw/zinc/06/17/62/221061762.db2.gz YSAJSQLJZBVPHA-SFHVURJKSA-N 0 3 396.478 5.114 50 0 GKAAHN c1ccc(C(c2ccccc2)N2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000013155020 221262957 /nfs/dbraw/zinc/26/29/57/221262957.db2.gz STBYLSNMAJMCIF-UHFFFAOYSA-N 0 3 379.507 5.146 50 0 aggregator GKAAHN CC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000013633571 221277830 /nfs/dbraw/zinc/27/78/30/221277830.db2.gz HKJVXAYMDUGIOW-KUSCKROYSA-N 0 3 387.523 5.385 50 0 GKAAHN CC(C)OCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013721568 221284350 /nfs/dbraw/zinc/28/43/50/221284350.db2.gz TWXRBCNCAGAGJJ-UHFFFAOYSA-N 0 3 382.331 5.477 50 0 GKAAHN Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N(C)C)cc1 ZINC000015859876 221348993 /nfs/dbraw/zinc/34/89/93/221348993.db2.gz HKFXIWFBBGFUQZ-KRWDZBQOSA-N 0 3 386.948 5.204 50 0 GKAAHN Fc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000017311062 221383433 /nfs/dbraw/zinc/38/34/33/221383433.db2.gz YSGKYCAXLVHBNC-UHFFFAOYSA-N 0 3 377.488 5.089 50 0 GKAAHN CCN(CC)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000028292469 221673713 /nfs/dbraw/zinc/67/37/13/221673713.db2.gz BCLIWCKOQUFKCE-KRWDZBQOSA-N 0 3 386.948 5.368 50 0 GKAAHN C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000057541829 222035583 /nfs/dbraw/zinc/03/55/83/222035583.db2.gz VWLBHWSWWBMUDY-IBGZPJMESA-N 0 3 377.459 5.073 50 0 GKAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc3cnccc32)cc1 ZINC000096165184 222394831 /nfs/dbraw/zinc/39/48/31/222394831.db2.gz RRVDPYFHCGKPKF-HSZRJFAPSA-N 0 3 388.515 5.056 50 0 GKAAHN CC(C)(C)c1ccc(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000000629982 570211684 /nfs/dbraw/zinc/21/16/84/570211684.db2.gz GXZGUXKEBBOVQJ-UHFFFAOYSA-N 0 3 393.962 5.508 50 0 GKAAHN O=C(Nc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019794445 570219998 /nfs/dbraw/zinc/21/99/98/570219998.db2.gz FSJLKVCPANXFLU-UHFFFAOYSA-N 0 3 376.887 5.151 50 0 GKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)N2CCCC2)c1C ZINC000001448830 570225277 /nfs/dbraw/zinc/22/52/77/570225277.db2.gz WVKIMDKEZLQJJN-OAQYLSRUSA-N 0 3 394.540 5.704 50 0 GKAAHN COc1ccc2nc(C)cc(NCc3cccc(NC(=O)c4ccco4)c3)c2c1 ZINC000048302186 570234447 /nfs/dbraw/zinc/23/44/47/570234447.db2.gz WDNREDHCTNEONL-UHFFFAOYSA-N 0 3 387.439 5.009 50 0 GKAAHN CCOc1cc2c(cc1OCC)[C@H](c1ccc3c(c1)Cc1ccccc1-3)NCC2 ZINC000020494878 570263800 /nfs/dbraw/zinc/26/38/00/570263800.db2.gz JWEDNZOJOJECSJ-SANMLTNESA-N 0 3 385.507 5.290 50 0 GKAAHN CCc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O ZINC000020607616 570271535 /nfs/dbraw/zinc/27/15/35/570271535.db2.gz INNVAFCCUUWNAL-QPTUXGOLSA-N 0 3 399.962 5.476 50 0 GKAAHN CN(C)Cc1cccc(S[C@H]2c3ccccc3CSc3ccccc32)c1 ZINC000002049816 570272467 /nfs/dbraw/zinc/27/24/67/570272467.db2.gz UJAJAALVVRGPJM-QHCPKHFHSA-N 0 3 377.578 6.236 50 0 GKAAHN CC(C)C(=O)N(c1ccccc1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682490 570300285 /nfs/dbraw/zinc/30/02/85/570300285.db2.gz SHISXDQXBNAAGY-UHFFFAOYSA-N 0 3 378.560 5.464 50 0 GKAAHN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682549 570300330 /nfs/dbraw/zinc/30/03/30/570300330.db2.gz UHWBNBKOGSCIMU-UHFFFAOYSA-N 0 3 390.552 5.368 50 0 GKAAHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000023079695 570343339 /nfs/dbraw/zinc/34/33/39/570343339.db2.gz VIVXMZVNMATKOU-UHFFFAOYSA-N 0 3 398.506 5.177 50 0 GKAAHN CN(C)CCS[C@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000004128179 570359106 /nfs/dbraw/zinc/35/91/06/570359106.db2.gz CGFSWQMESVHTJX-XMMPIXPASA-N 0 3 391.605 5.879 50 0 GKAAHN O[C@H](CNCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004159410 570360511 /nfs/dbraw/zinc/36/05/11/570360511.db2.gz PNHFCVLKJMHHPH-GOSISDBHSA-N 0 3 399.321 5.252 50 0 GKAAHN CCn1c2ccccc2c2cc(Nc3c4ccccc4nc4c3CCCC4)ccc21 ZINC000004922367 570369829 /nfs/dbraw/zinc/36/98/29/570369829.db2.gz CPSSNCAYCCHNRR-UHFFFAOYSA-N 0 3 391.518 6.985 50 0 GKAAHN CC1(C)CC(=O)C[C@]2(C1)NC[C@H](c1ccccc1Cl)c1c3ccccc3[nH]c12 ZINC000023908181 570375223 /nfs/dbraw/zinc/37/52/23/570375223.db2.gz YDXXMDROEYQMOS-HOYKHHGWSA-N 0 3 392.930 5.531 50 0 GKAAHN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C/C=C/c1ccccc1 ZINC000020529083 570382708 /nfs/dbraw/zinc/38/27/08/570382708.db2.gz YHYQZSVKBBWONV-OLECZQGESA-N 0 3 391.555 5.467 50 0 biogenic GKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000004554754 570384038 /nfs/dbraw/zinc/38/40/38/570384038.db2.gz IREMMGYZUAXEPM-UHFFFAOYSA-N 0 3 384.932 5.793 50 0 GKAAHN Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000000837039 570409406 /nfs/dbraw/zinc/40/94/06/570409406.db2.gz YATPAHDOUJPRNV-UHFFFAOYSA-N 0 3 386.326 5.763 50 0 GKAAHN COc1cc(CN[C@@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C ZINC000025259812 570409657 /nfs/dbraw/zinc/40/96/57/570409657.db2.gz BAEGVDMYYOPHDS-JOCHJYFZSA-N 0 3 392.499 5.046 50 0 GKAAHN CCCCCCSc1ccc([C@H](SCCN(C)C)c2ccccc2)cc1 ZINC000033641200 570411180 /nfs/dbraw/zinc/41/11/80/570411180.db2.gz PJNBLGOVCNGKJM-HSZRJFAPSA-N 0 3 387.658 6.743 50 0 GKAAHN CC(C)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004863315 570413423 /nfs/dbraw/zinc/41/34/23/570413423.db2.gz QTRIGFJYNKGEIO-QYOOZWMWSA-N 0 3 389.514 5.761 50 0 GKAAHN COc1cc(CN(C)Cc2cccc3ccccc32)ccc1OCc1ccccc1 ZINC000004986544 570421453 /nfs/dbraw/zinc/42/14/53/570421453.db2.gz KGMZBUREXKZUEH-UHFFFAOYSA-N 0 3 397.518 6.059 50 0 GKAAHN CCN(CC)CCOC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl ZINC000033825366 570421944 /nfs/dbraw/zinc/42/19/44/570421944.db2.gz PLUTVIOAWOUWNM-UHFFFAOYSA-N 0 3 395.330 5.544 50 0 GKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N([C@@H]1CC[C@@H](C)C1)CC2 ZINC000005033060 570425267 /nfs/dbraw/zinc/42/52/67/570425267.db2.gz ISLQETMKIRTGFE-ZOUOIUENSA-N 0 3 385.935 5.493 50 0 GKAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000005245628 570432400 /nfs/dbraw/zinc/43/24/00/570432400.db2.gz MWGJJDLLQRNXDN-MRXNPFEDSA-N 0 3 382.891 5.173 50 0 GKAAHN CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662573 570438809 /nfs/dbraw/zinc/43/88/09/570438809.db2.gz JUGFKHQTMLSCSJ-HXUWFJFHSA-N 0 3 384.589 5.393 50 0 GKAAHN Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCCC2)cc1 ZINC000027744231 570441275 /nfs/dbraw/zinc/44/12/75/570441275.db2.gz URVWEYNPMLDFQF-YXPXJKJVSA-N 0 3 394.603 5.245 50 0 GKAAHN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2c1SC(C)C2=O ZINC000006497649 570457051 /nfs/dbraw/zinc/45/70/51/570457051.db2.gz RBTSECSAXHUXSW-AWEZNQCLSA-N 0 3 377.465 5.133 50 0 GKAAHN CC(C)(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1 ZINC000028293447 570457085 /nfs/dbraw/zinc/45/70/85/570457085.db2.gz QMDAYUNFDSGTEX-QFIPXVFZSA-N 0 3 398.978 5.595 50 0 GKAAHN Fc1ccc(CNCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000028428213 570459763 /nfs/dbraw/zinc/45/97/63/570459763.db2.gz BYNFWECESRAKCE-UHFFFAOYSA-N 0 3 378.878 5.772 50 0 GKAAHN COCCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1C ZINC000035841021 570463451 /nfs/dbraw/zinc/46/34/51/570463451.db2.gz WEJFBPVZDMDWRX-UHFFFAOYSA-N 0 3 380.507 5.023 50 0 GKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843761 570464290 /nfs/dbraw/zinc/46/42/90/570464290.db2.gz BMEMQPPFTVAQID-UHFFFAOYSA-N 0 3 398.953 6.377 50 0 GKAAHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](NC1CCCC1)c1ccccc1 ZINC000006638922 570511822 /nfs/dbraw/zinc/51/18/22/570511822.db2.gz OXYSTUNVTNNBIW-SFHVURJKSA-N 0 3 396.840 5.571 50 0 GKAAHN COc1ccc(CN2CCCCC[C@H]2c2sccc2C)c(OC)c1OC ZINC000033087131 570519640 /nfs/dbraw/zinc/51/96/40/570519640.db2.gz LYJSPIKTVLJFDM-KRWDZBQOSA-N 0 3 375.534 5.200 50 0 GKAAHN COc1cc(OC)c(OC)cc1CN1CCCCC[C@@H]1c1sccc1C ZINC000033087176 570519852 /nfs/dbraw/zinc/51/98/52/570519852.db2.gz SQHMYRUIBKJHEV-QGZVFWFLSA-N 0 3 375.534 5.200 50 0 GKAAHN CSc1ccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000006654429 570521110 /nfs/dbraw/zinc/52/11/10/570521110.db2.gz KXLAIEOVSSJFDR-UHFFFAOYSA-N 0 3 376.525 5.293 50 0 GKAAHN Clc1ccc([C@H](CCNCc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000006671604 570528373 /nfs/dbraw/zinc/52/83/73/570528373.db2.gz MOHFPJIHRKYFIJ-GOSISDBHSA-N 0 3 385.338 5.895 50 0 GKAAHN CC1(C)C[C@H]([C@@H](CCNCc2ccccn2)Cc2ccccc2Cl)CCO1 ZINC000006672230 570528908 /nfs/dbraw/zinc/52/89/08/570528908.db2.gz ARWBNFIEFGHIQY-AZUAARDMSA-N 0 3 386.967 5.279 50 0 GKAAHN O=C(Nc1cccc2ccccc21)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020494690 570537396 /nfs/dbraw/zinc/53/73/96/570537396.db2.gz SWXBAUCLIHPQNE-UHFFFAOYSA-N 0 3 392.502 5.650 50 0 GKAAHN O[C@@H](COc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000005091721 570541141 /nfs/dbraw/zinc/54/11/41/570541141.db2.gz YFZMIWFKEZNJHP-AREMUKBSSA-N 0 3 397.518 5.282 50 0 GKAAHN Cc1c(CNCc2cccs2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315546 570568560 /nfs/dbraw/zinc/56/85/60/570568560.db2.gz VRPXACMMOYSLFJ-UHFFFAOYSA-N 0 3 380.944 6.003 50 0 GKAAHN Cc1ccc(CNCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000010475385 570571254 /nfs/dbraw/zinc/57/12/54/570571254.db2.gz MSOZEGFXCYKEEW-UHFFFAOYSA-N 0 3 396.328 5.626 50 0 GKAAHN CCN(CC)CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003205522 570596629 /nfs/dbraw/zinc/59/66/29/570596629.db2.gz NHMMRTVUEVUTBI-UHFFFAOYSA-N 0 3 382.444 5.223 50 0 GKAAHN O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccs2)CC1 ZINC000012314199 570640401 /nfs/dbraw/zinc/64/04/01/570640401.db2.gz YXRNHJUAVKBDNY-UHFFFAOYSA-N 0 3 394.515 5.405 50 0 GKAAHN O=C(CCN1CCCCC1)O[C@H]1CCCC[C@H]1SCc1ccc(Cl)cc1 ZINC000005634250 570676820 /nfs/dbraw/zinc/67/68/20/570676820.db2.gz VAVXGZXHFVMMQV-VQTJNVASSA-N 0 3 395.996 5.304 50 0 GKAAHN COc1ccc(-n2ncc([C@H](C)NCc3ccccc3-c3ccco3)c2C)cc1 ZINC000012595894 570689123 /nfs/dbraw/zinc/68/91/23/570689123.db2.gz QUKLGAUAODKHMV-KRWDZBQOSA-N 0 3 387.483 5.300 50 0 GKAAHN CC(C)Oc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000012705152 570699916 /nfs/dbraw/zinc/69/99/16/570699916.db2.gz RACBDFLDLNZJBH-IBGZPJMESA-N 0 3 398.522 5.244 50 0 GKAAHN C[C@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000057222632 570701758 /nfs/dbraw/zinc/70/17/58/570701758.db2.gz BCVUGELOWVRESK-LJQANCHMSA-N 0 3 377.459 5.073 50 0 GKAAHN O=C(CC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)Nc1ccccc1F ZINC000012710575 570702153 /nfs/dbraw/zinc/70/21/53/570702153.db2.gz LTMDIRPJABLZRZ-QGZVFWFLSA-N 0 3 380.463 5.203 50 0 GKAAHN C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006940545 570713679 /nfs/dbraw/zinc/71/36/79/570713679.db2.gz MYMZZYMNEYVILS-PIGZYNQJSA-N 0 3 397.733 5.641 50 0 GKAAHN O=C(OCCN1CCCCC1)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000000998824 570744776 /nfs/dbraw/zinc/74/47/76/570744776.db2.gz QNHUWQIJGKAHAP-UHFFFAOYSA-N 0 3 389.495 5.062 50 0 GKAAHN c1coc(-c2c(-c3ccccc3)ncn2C[C@H](c2cccnc2)N2CCCC2)c1 ZINC000065424907 570767833 /nfs/dbraw/zinc/76/78/33/570767833.db2.gz SVQPQWZWHNPOPK-OAQYLSRUSA-N 0 3 384.483 5.042 50 0 GKAAHN COc1ccccc1[C@@H](C)N(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000032825417 570839274 /nfs/dbraw/zinc/83/92/74/570839274.db2.gz PMYOQHOBGHLUKE-CYBMUJFWSA-N 0 3 381.303 5.024 50 0 GKAAHN CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004715861 570856243 /nfs/dbraw/zinc/85/62/43/570856243.db2.gz ODEDXCONQRYZQL-QGZVFWFLSA-N 0 3 398.513 5.250 50 0 GKAAHN COc1ccc2cc(CNCc3cccc(Cl)c3)c(-c3ccsc3)nc2c1 ZINC000015002664 570870732 /nfs/dbraw/zinc/87/07/32/570870732.db2.gz VCCXXBBWVONUBJ-UHFFFAOYSA-N 0 3 394.927 5.915 50 0 GKAAHN FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2cncn2C2CC2)C1 ZINC000072163101 570875900 /nfs/dbraw/zinc/87/59/00/570875900.db2.gz VOQTZJWUFPDJDQ-INIZCTEOSA-N 0 3 377.454 5.082 50 0 GKAAHN CC(C)=CCN1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000015070718 570876929 /nfs/dbraw/zinc/87/69/29/570876929.db2.gz AYBIMSCLAQWTPV-UHFFFAOYSA-N 0 3 389.499 5.112 50 0 GKAAHN S=C(Nc1ccc(Cl)cc1)N(CCCN1CCCCC1)Cc1ccco1 ZINC000004564836 570887150 /nfs/dbraw/zinc/88/71/50/570887150.db2.gz ASNPFDROEGEZPK-UHFFFAOYSA-N 0 3 391.968 5.008 50 0 GKAAHN CC(C)[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000015523721 570895871 /nfs/dbraw/zinc/89/58/71/570895871.db2.gz IKIXOUBZTDMOMF-VWLOTQADSA-N 0 3 389.543 5.229 50 0 GKAAHN Clc1ccc([C@H](NCCc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000025778181 570957804 /nfs/dbraw/zinc/95/78/04/570957804.db2.gz JIZIBINCTSCJKL-HSZRJFAPSA-N 0 3 379.887 5.033 50 0 GKAAHN CSc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749427 570961581 /nfs/dbraw/zinc/96/15/81/570961581.db2.gz AJMXFVBUUBNLTJ-UHFFFAOYSA-N 0 3 391.378 5.248 50 0 GKAAHN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037559466 571031214 /nfs/dbraw/zinc/03/12/14/571031214.db2.gz HHPGSBFCAOSNGQ-UHFFFAOYSA-N 0 3 398.550 5.615 50 0 GKAAHN Fc1ccccc1COc1ccc(Br)cc1CNC1CCCC1 ZINC000022074265 230908195 /nfs/dbraw/zinc/90/81/95/230908195.db2.gz WMYCXNKCWPNWMG-UHFFFAOYSA-N 0 3 378.285 5.199 50 0 GKAAHN CCCCc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=N)cc1 ZINC000017079994 210203130 /nfs/dbraw/zinc/20/31/30/210203130.db2.gz DKBLVMJDULRRKN-UHFFFAOYSA-N 0 3 391.515 5.353 50 0 GKAAHN Fc1ccccc1COc1ccc2ccccc2c1CNCc1cccs1 ZINC000016526013 210191192 /nfs/dbraw/zinc/19/11/92/210191192.db2.gz JISIDMIWZKQUCY-UHFFFAOYSA-N 0 3 377.484 5.909 50 0 GKAAHN O=C(N1CCCCC1)N1c2ccccc2C[C@@H](N2CCCCC2)c2ccccc21 ZINC000002779459 209383539 /nfs/dbraw/zinc/38/35/39/209383539.db2.gz SBFGDCIELZYFGP-XMMPIXPASA-N 0 3 389.543 5.514 50 0 GKAAHN C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000245232008 209214879 /nfs/dbraw/zinc/21/48/79/209214879.db2.gz NTQGEZJOMVFLMK-XPNIBREUSA-N 0 3 375.487 5.468 50 0 GKAAHN S=C(Nc1ccc(Cl)cc1)N(CCN1CCCCCC1)Cc1ccco1 ZINC000003662259 204017716 /nfs/dbraw/zinc/01/77/16/204017716.db2.gz UOCACSAALYKQER-UHFFFAOYSA-N 0 3 391.968 5.008 50 0 GKAAHN S=C(Nc1ccccc1Cl)N(CCN1CCCCCC1)Cc1ccco1 ZINC000003665735 204018005 /nfs/dbraw/zinc/01/80/05/204018005.db2.gz DUGCOHYAVUBBMK-UHFFFAOYSA-N 0 3 391.968 5.008 50 0 GKAAHN Cc1cccc(Cn2cccc2CN(Cc2cccc(Cl)c2)[C@H](C)C(C)C)c1 ZINC000004928457 204092587 /nfs/dbraw/zinc/09/25/87/204092587.db2.gz YTJWLVKQKAYQQO-OAQYLSRUSA-N 0 3 394.990 6.545 50 0 GKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1sc2ccccc2c1Cl ZINC000005447312 204133685 /nfs/dbraw/zinc/13/36/85/204133685.db2.gz AVSLSDOZPVTVDT-AEFFLSMTSA-N 0 3 396.943 5.311 50 0 GKAAHN CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326316 204272349 /nfs/dbraw/zinc/27/23/49/204272349.db2.gz JMCGQJQVMVHQHO-INIZCTEOSA-N 0 3 388.722 5.086 50 0 GKAAHN COc1ccc(NC(=O)c2ccc(CN3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000008429840 204276771 /nfs/dbraw/zinc/27/67/71/204276771.db2.gz GMYHIGGIKOJNHU-NRFANRHFSA-N 0 3 392.524 5.346 50 0 GKAAHN COc1cc(CNCc2cccs2)ccc1OCc1ccc(F)cc1Cl ZINC000008471769 204277308 /nfs/dbraw/zinc/27/73/08/204277308.db2.gz XVZINMANUDMYQH-UHFFFAOYSA-N 0 3 391.895 5.418 50 0 GKAAHN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000011870264 204360036 /nfs/dbraw/zinc/36/00/36/204360036.db2.gz XXBVAEZMBZFPHC-QFIPXVFZSA-N 0 3 392.543 5.042 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013751349 211960560 /nfs/dbraw/zinc/96/05/60/211960560.db2.gz DWMBLMXBAOMOLC-XDZXDJIYSA-N 0 3 385.551 5.852 50 0 GKAAHN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000036347332 205012250 /nfs/dbraw/zinc/01/22/50/205012250.db2.gz JZPGWRZLONRHNB-QFIPXVFZSA-N 0 3 384.445 5.811 50 0 GKAAHN Cc1cccc2cc(CN3CCC[C@@H]3c3ccccn3)c(-c3cccs3)nc12 ZINC000072430572 205351040 /nfs/dbraw/zinc/35/10/40/205351040.db2.gz IRVXWPYQTNHSGF-OAQYLSRUSA-N 0 3 385.536 6.004 50 0 GKAAHN O=C(N1CCCCC1)N1c2ccccc2C[C@H](N2CCCCC2)c2ccccc21 ZINC000000694743 206318141 /nfs/dbraw/zinc/31/81/41/206318141.db2.gz SBFGDCIELZYFGP-DEOSSOPVSA-N 0 3 389.543 5.514 50 0 GKAAHN CC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000001288620 206371449 /nfs/dbraw/zinc/37/14/49/206371449.db2.gz JEKQPZGODPLINH-ZKGSSEMHSA-N 0 3 375.487 5.515 50 0 GKAAHN CN1CCCC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000001485260 206383831 /nfs/dbraw/zinc/38/38/31/206383831.db2.gz URKVBEKZCMUTQC-HXUWFJFHSA-N 0 3 382.507 5.510 50 0 in-vitro GKAAHN CCCCCCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000007261000 206706739 /nfs/dbraw/zinc/70/67/39/206706739.db2.gz FSNBKGJWFOMWST-UHFFFAOYSA-N 0 3 394.328 5.837 50 0 GKAAHN c1ccc(CN[C@H](c2ccccc2)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000019889246 207167732 /nfs/dbraw/zinc/16/77/32/207167732.db2.gz KIBCXFHHZDMDON-KAYWLYCHSA-N 0 3 395.571 7.051 50 0 GKAAHN Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020507246 207199041 /nfs/dbraw/zinc/19/90/41/207199041.db2.gz CKGRVFXTUYWZRJ-XMMPIXPASA-N 0 3 387.552 5.449 50 0 GKAAHN O[C@](CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365966 207190239 /nfs/dbraw/zinc/19/02/39/207190239.db2.gz TUDHZAKGQTXOSS-OAQYLSRUSA-N 0 3 390.285 5.158 50 0 GKAAHN c1ccc(C(c2ccccc2)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000023253784 207272114 /nfs/dbraw/zinc/27/21/14/207272114.db2.gz VSTCSMUXEJYQGW-UHFFFAOYSA-N 0 3 392.546 5.747 50 0 GKAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000028287845 207338716 /nfs/dbraw/zinc/33/87/16/207338716.db2.gz WGIZCNSDUJYBGO-IBGZPJMESA-N 0 3 396.556 5.458 50 0 GKAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101343553 208391666 /nfs/dbraw/zinc/39/16/66/208391666.db2.gz IBVUWOBSESRAEG-KEVKATSASA-N 0 3 389.514 5.906 50 0 GKAAHN CC(C)(C)N1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802396 210297677 /nfs/dbraw/zinc/29/76/77/210297677.db2.gz BEIMITMVQGQSKU-LJQANCHMSA-N 0 3 386.992 5.505 50 0 GKAAHN C[C@H]1CN(CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000020166886 208806982 /nfs/dbraw/zinc/80/69/82/208806982.db2.gz CCOLCOPPEFRFIM-SFTDATJTSA-N 0 3 381.560 5.281 50 0 GKAAHN CC(C)Oc1ccc([C@H](CCNCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000005499537 220876178 /nfs/dbraw/zinc/87/61/78/220876178.db2.gz SFKPIGJAYLXUKA-XMMPIXPASA-N 0 3 395.493 6.064 50 0 GKAAHN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000008863057 221061671 /nfs/dbraw/zinc/06/16/71/221061671.db2.gz HJNQYIKLYITOGQ-SFHVURJKSA-N 0 3 396.478 5.114 50 0 GKAAHN C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000008428717 221041174 /nfs/dbraw/zinc/04/11/74/221041174.db2.gz SVJWHGLGCSAXSF-GOSISDBHSA-N 0 3 387.914 6.044 50 0 GKAAHN COc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc12 ZINC000011839043 221130466 /nfs/dbraw/zinc/13/04/66/221130466.db2.gz BPFWDHSYOCIYLU-INIZCTEOSA-N 0 3 389.474 5.332 50 0 GKAAHN C[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012915393 221245722 /nfs/dbraw/zinc/24/57/22/221245722.db2.gz KHIVLOKLTVAYNO-INIZCTEOSA-N 0 3 398.428 5.809 50 0 GKAAHN CCOc1ccc(CN(Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862359 221350092 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CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020030410 570236348 /nfs/dbraw/zinc/23/63/48/570236348.db2.gz OANJNOTYEXPFGF-UHFFFAOYSA-N 0 3 398.550 5.622 50 0 GKAAHN OC(CNCc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365331 570253389 /nfs/dbraw/zinc/25/33/89/570253389.db2.gz YYMLNKVPZVEHPN-UHFFFAOYSA-N 0 3 390.285 5.158 50 0 GKAAHN O[C@](CNCc1ccc(Cl)cc1Cl)(c1ccccc1)c1ccc(F)cc1 ZINC000020365961 570253439 /nfs/dbraw/zinc/25/34/39/570253439.db2.gz IIIMYUBGOIQKHP-OAQYLSRUSA-N 0 3 390.285 5.158 50 0 GKAAHN CCCN1CCC(N(C(=O)C2CC2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000001501476 570264325 /nfs/dbraw/zinc/26/43/25/570264325.db2.gz AGFHYSYGDYLCBE-UHFFFAOYSA-N 0 3 381.564 5.083 50 0 GKAAHN C[C@H](CN(C)Cc1ccccc1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180638 570277530 /nfs/dbraw/zinc/27/75/30/570277530.db2.gz ZSYNVNGIZNPTJT-LJQANCHMSA-N 0 3 395.587 5.959 50 0 GKAAHN CN(C)Cc1ccccc1S[C@@H]1c2ccccc2CSc2ccccc21 ZINC000002193153 570278478 /nfs/dbraw/zinc/27/84/78/570278478.db2.gz 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570456594 /nfs/dbraw/zinc/45/65/94/570456594.db2.gz BCLIWCKOQUFKCE-QGZVFWFLSA-N 0 3 386.948 5.368 50 0 GKAAHN CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCCCC1 ZINC000028291831 570456741 /nfs/dbraw/zinc/45/67/41/570456741.db2.gz SOSGZCHWTMXEPR-QHCPKHFHSA-N 0 3 394.559 5.166 50 0 GKAAHN CCCCCC1CCC(c2ccc(NC(=O)NCCN3CCCC3)cc2)CC1 ZINC000005860171 570459246 /nfs/dbraw/zinc/45/92/46/570459246.db2.gz GASYZCJUNCTUGD-UHFFFAOYSA-N 0 3 385.596 5.758 50 0 GKAAHN Cc1ccccc1Cn1cccc1CN(Cc1cccc(F)c1)[C@H](C)C(C)C ZINC000035841112 570463837 /nfs/dbraw/zinc/46/38/37/570463837.db2.gz OGGLOOZTDZOEEG-OAQYLSRUSA-N 0 3 378.535 6.031 50 0 GKAAHN COc1ccc2nc(C)cc(N3CCC[C@H]3c3nc4ccccc4s3)c2c1 ZINC000006558773 570477305 /nfs/dbraw/zinc/47/73/05/570477305.db2.gz DVXRUHDGQZVFTR-IBGZPJMESA-N 0 3 375.497 5.503 50 0 GKAAHN CC1(C)C[C@](CCNCc2ccccn2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006661602 570486554 /nfs/dbraw/zinc/48/65/54/570486554.db2.gz AXTVNRGUZVFZIU-OAQYLSRUSA-N 0 3 392.465 5.107 50 0 GKAAHN O=C(Nc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000006671917 570487655 /nfs/dbraw/zinc/48/76/55/570487655.db2.gz USZQPZNWYGRSFR-UHFFFAOYSA-N 0 3 384.523 5.394 50 0 GKAAHN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000007080029 570500618 /nfs/dbraw/zinc/50/06/18/570500618.db2.gz IRZXCLGKGLMYTQ-IBGZPJMESA-N 0 3 380.532 5.204 50 0 GKAAHN COc1cc(CN2CCCCC[C@@H]2c2ccc(C)s2)cc(OC)c1OC ZINC000033087280 570519897 /nfs/dbraw/zinc/51/98/97/570519897.db2.gz ALOIAWSCXZGKSN-QGZVFWFLSA-N 0 3 375.534 5.200 50 0 GKAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)c1 ZINC000036103965 570540936 /nfs/dbraw/zinc/54/09/36/570540936.db2.gz PYJXMTMLEXFLSG-RUZDIDTESA-N 0 3 377.503 5.048 50 0 GKAAHN Cc1c(CNCc2cccnc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315519 570568264 /nfs/dbraw/zinc/56/82/64/570568264.db2.gz YPTWSCVUHJDLIU-UHFFFAOYSA-N 0 3 375.903 5.336 50 0 GKAAHN Brc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 ZINC000010436503 570570847 /nfs/dbraw/zinc/57/08/47/570570847.db2.gz SGXPCBPYRYPHTC-UHFFFAOYSA-N 0 3 382.301 5.318 50 0 GKAAHN Cc1c([C@H](C)NCc2cc3ccccc3[nH]2)cnn1-c1cccc2ccccc21 ZINC000011818698 570585527 /nfs/dbraw/zinc/58/55/27/570585527.db2.gz DTTCOOARSDUCBZ-KRWDZBQOSA-N 0 3 380.495 5.666 50 0 GKAAHN O=C(NC[C@@H]1CCCN(Cc2ccsc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011844515 570588289 /nfs/dbraw/zinc/58/82/89/570588289.db2.gz JNPWAIOYSXVXRU-IBGZPJMESA-N 0 3 390.552 5.057 50 0 GKAAHN COc1ccccc1/C=C/CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000011911679 570592200 /nfs/dbraw/zinc/59/22/00/570592200.db2.gz CXLZTINPHLPYFT-PDGUBNMISA-N 0 3 391.490 5.117 50 0 GKAAHN Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(C)CC1)O2 ZINC000005478249 570608228 /nfs/dbraw/zinc/60/82/28/570608228.db2.gz WRNFDPOIEKBYKA-DEOSSOPVSA-N 0 3 397.522 5.114 50 0 GKAAHN CCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005478457 570608566 /nfs/dbraw/zinc/60/85/66/570608566.db2.gz JGIRVNFRZIMTDY-OAQYLSRUSA-N 0 3 395.934 5.004 50 0 GKAAHN COCC[C@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012193152 570622417 /nfs/dbraw/zinc/62/24/17/570622417.db2.gz BVRUKSMTZUIYQH-QGZVFWFLSA-N 0 3 382.426 5.060 50 0 GKAAHN CCOc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348020 570630983 /nfs/dbraw/zinc/63/09/83/570630983.db2.gz NHVWSCYTHXKTHZ-AREMUKBSSA-N 0 3 388.555 6.006 50 0 GKAAHN C=CN1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000136611925 570631609 /nfs/dbraw/zinc/63/16/09/570631609.db2.gz AQAGPBXWLXHMCE-AVRWGWEMSA-N 0 3 379.544 5.749 50 0 GKAAHN CSc1cccc(CN[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1 ZINC000012298920 570634834 /nfs/dbraw/zinc/63/48/34/570634834.db2.gz MCLJYVMLFASZFL-HXUWFJFHSA-N 0 3 385.483 5.040 50 0 GKAAHN O=C(CCC1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)Nc1ccccc1 ZINC000012301852 570636306 /nfs/dbraw/zinc/63/63/06/570636306.db2.gz UZXLGTPSABWGFO-UHFFFAOYSA-N 0 3 394.563 5.088 50 0 GKAAHN CC[C@H](NCc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 ZINC000012305044 570638162 /nfs/dbraw/zinc/63/81/62/570638162.db2.gz JBXLFRFEWNLODG-VWLOTQADSA-N 0 3 396.538 5.792 50 0 GKAAHN O=C(CCC1CCN(CCCC(F)(F)F)CC1)Nc1ccccc1Cl ZINC000012430882 570659211 /nfs/dbraw/zinc/65/92/11/570659211.db2.gz ADQAZQQTURHZMY-UHFFFAOYSA-N 0 3 376.850 5.113 50 0 GKAAHN COc1cccc(NC(=O)CCC2CCN(Cc3cccc(SC)c3)CC2)c1 ZINC000012455345 570669255 /nfs/dbraw/zinc/66/92/55/570669255.db2.gz AKDCQWUBIDLMIK-UHFFFAOYSA-N 0 3 398.572 5.048 50 0 GKAAHN CCCCCOc1ccc(C(=O)[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000004349362 570681083 /nfs/dbraw/zinc/68/10/83/570681083.db2.gz UYYFNPNLNGPCIY-XMMPIXPASA-N 0 3 379.544 5.708 50 0 GKAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCc1cccs1 ZINC000012582884 570684529 /nfs/dbraw/zinc/68/45/29/570684529.db2.gz VDTKDTFLSJTAQH-UHFFFAOYSA-N 0 3 395.478 5.477 50 0 GKAAHN Cc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000012586800 570685523 /nfs/dbraw/zinc/68/55/23/570685523.db2.gz SJNYHXZYHUBYLG-LJQANCHMSA-N 0 3 382.529 5.404 50 0 GKAAHN COc1cccc(-c2nc3cc(F)ccc3cc2CNCc2cccs2)c1 ZINC000055326737 570691248 /nfs/dbraw/zinc/69/12/48/570691248.db2.gz LERGAIADTMNLQO-UHFFFAOYSA-N 0 3 378.472 5.401 50 0 GKAAHN C[C@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000057541831 570702876 /nfs/dbraw/zinc/70/28/76/570702876.db2.gz VWLBHWSWWBMUDY-LJQANCHMSA-N 0 3 377.459 5.073 50 0 GKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(C)ccc3C)=NN12 ZINC000004363535 570710728 /nfs/dbraw/zinc/71/07/28/570710728.db2.gz KFAIPMIBGPPAHE-HSZRJFAPSA-N 0 3 389.543 5.049 50 0 GKAAHN CCCCN(CC)c1ccc(C(=O)Nc2ccccc2CN2CCCC2)cc1 ZINC000058441104 570734003 /nfs/dbraw/zinc/73/40/03/570734003.db2.gz WJXQXRPGFFNLIS-UHFFFAOYSA-N 0 3 379.548 5.161 50 0 GKAAHN CCc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O ZINC000036614396 570758475 /nfs/dbraw/zinc/75/84/75/570758475.db2.gz INNVAFCCUUWNAL-JRFVFWCSSA-N 0 3 399.962 5.476 50 0 GKAAHN c1ccc(-c2cc(C3c4ccccc4-c4ncccc43)c(-c3ccccc3)nn2)cc1 ZINC000096602602 570774803 /nfs/dbraw/zinc/77/48/03/570774803.db2.gz DBSKZBPOZJFAMA-AREMUKBSSA-N 0 3 397.481 6.366 50 0 GKAAHN C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1Cl ZINC000013786127 570790230 /nfs/dbraw/zinc/79/02/30/570790230.db2.gz BEWVWNGYSGPFME-BEDYVLDCSA-N 0 3 391.942 5.726 50 0 GKAAHN COc1ccccc1[C@H](C)N(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000032825419 570839260 /nfs/dbraw/zinc/83/92/60/570839260.db2.gz PMYOQHOBGHLUKE-ZDUSSCGKSA-N 0 3 381.303 5.024 50 0 GKAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000004700298 570844031 /nfs/dbraw/zinc/84/40/31/570844031.db2.gz KTGCWSNZAORFKD-UHFFFAOYSA-N 0 3 378.560 5.071 50 0 GKAAHN CC(C)n1c2ccccc2nc1[C@H](C)NC1CCN(Cc2cccc(F)c2)CC1 ZINC000170591536 570849430 /nfs/dbraw/zinc/84/94/30/570849430.db2.gz NBAABOUCCWNHHT-SFHVURJKSA-N 0 3 394.538 5.072 50 0 GKAAHN COc1ccc(CN(C)[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000003336713 570858426 /nfs/dbraw/zinc/85/84/26/570858426.db2.gz GVMYQVTYOKRTOH-QHCPKHFHSA-N 0 3 381.903 5.579 50 0 GKAAHN Fc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000015581249 570897960 /nfs/dbraw/zinc/89/79/60/570897960.db2.gz VWHHWZFQEZRJOK-UHFFFAOYSA-N 0 3 375.422 5.107 50 0 GKAAHN Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000051329992 570923807 /nfs/dbraw/zinc/92/38/07/570923807.db2.gz QRKHRSFRLGQSPJ-QHCPKHFHSA-N 0 3 389.543 5.047 50 0 GKAAHN Cc1ccc(Cl)cc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025764576 570957862 /nfs/dbraw/zinc/95/78/62/570957862.db2.gz PONXRMGVTPIOHU-UHFFFAOYSA-N 0 3 376.931 5.560 50 0 GKAAHN Cc1ccc(C(=O)N(c2cccc(C)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000037559445 571031373 /nfs/dbraw/zinc/03/13/73/571031373.db2.gz QFRRXDSFFKAGNS-UHFFFAOYSA-N 0 3 398.550 5.615 50 0 GKAAHN c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000019371887 210246416 /nfs/dbraw/zinc/24/64/16/210246416.db2.gz DTZDSNQYNPNCPK-UHFFFAOYSA-N 0 3 392.546 5.745 50 0 in-vitro GKAAHN CC(C)[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(C2CCCCC2)cc1 ZINC000015523720 210158085 /nfs/dbraw/zinc/15/80/85/210158085.db2.gz IKIXOUBZTDMOMF-RUZDIDTESA-N 0 3 389.543 5.229 50 0 GKAAHN CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1 ZINC000014969367 210137027 /nfs/dbraw/zinc/13/70/27/210137027.db2.gz PNZXBMCTFUFPLR-UHFFFAOYSA-N 0 3 393.527 5.727 50 0 in-vitro GKAAHN