smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000019236201 818589177 /nfs/dbraw/zinc/58/91/77/818589177.db2.gz OVKDWHDBSHTJCI-NFBKMPQASA-N 0 3 392.547 4.045 40 0 GIABHN CCn1cc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C)c2)c(C)n1 ZINC000019713465 818603393 /nfs/dbraw/zinc/60/33/93/818603393.db2.gz MDTPGMDWNWEUQG-PKTZIBPZSA-N 0 3 394.563 4.066 40 0 GIABHN CCN(CC)CCOC(=O)[C@](O)(c1csc2ccccc21)c1cccc(C)c1 ZINC000001710842 203916804 /nfs/dbraw/zinc/91/68/04/203916804.db2.gz XODBNVAUBLQYCF-HSZRJFAPSA-N 0 3 397.540 4.331 40 0 GIABHN CCOCCP(CCOCC)CCP(CCOCC)CCOCC ZINC000003780929 204019595 /nfs/dbraw/zinc/01/95/95/204019595.db2.gz QCWJONLQSHEGEJ-UHFFFAOYSA-N 0 3 382.462 4.096 40 0 world GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000005092820 204110730 /nfs/dbraw/zinc/11/07/30/204110730.db2.gz XHLBOAOLNLRFDC-VABKMULXSA-N 0 3 398.462 4.355 40 0 GIABHN CSc1nc(-c2ccccc2)c(C(=O)N[C@H](C)CN2CCCCC2)s1 ZINC000006443037 204178399 /nfs/dbraw/zinc/17/83/99/204178399.db2.gz SUIHBZSLWAQZGJ-CQSZACIVSA-N 0 3 375.563 4.136 40 0 GIABHN CCOCc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC ZINC000012293144 204389309 /nfs/dbraw/zinc/38/93/09/204389309.db2.gz UYCNYHHGMFQZRM-VXMMSVGHSA-N 0 3 399.506 4.385 40 0 GIABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293453 204389333 /nfs/dbraw/zinc/38/93/33/204389333.db2.gz XSFOFHBZXMJTLD-VQTJNVASSA-N 0 3 387.907 4.033 40 0 GIABHN O[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000012292426 204389989 /nfs/dbraw/zinc/38/99/89/204389989.db2.gz WTWJMEWIEGPURL-SFHVURJKSA-N 0 3 399.840 4.376 40 0 GIABHN Cc1ccc(SCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038836681 205040239 /nfs/dbraw/zinc/04/02/39/205040239.db2.gz CVSVFNUGISZTJQ-IBGZPJMESA-N 0 3 386.536 4.255 40 0 GIABHN O=C(NCCSCc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038837050 205040349 /nfs/dbraw/zinc/04/03/49/205040349.db2.gz BCNWZWNUPLSFNS-HXUWFJFHSA-N 0 3 386.536 4.087 40 0 GIABHN COc1ccc2[nH]cc([C@H](O)CN3CCC[C@H](COc4ccccc4F)C3)c2c1 ZINC000036743794 205021390 /nfs/dbraw/zinc/02/13/90/205021390.db2.gz LXLWQXIHUUKAHK-KSFYIVLOSA-N 0 3 398.478 4.140 40 0 GIABHN CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044851415 205088428 /nfs/dbraw/zinc/08/84/28/205088428.db2.gz SHXPYMQLIOVQAV-OAQYLSRUSA-N 0 3 398.522 4.185 40 0 GIABHN CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000044932235 205090762 /nfs/dbraw/zinc/09/07/62/205090762.db2.gz SPZBIAWULBXWSZ-UHFFFAOYSA-N 0 3 384.495 4.141 40 0 GIABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330380 205326806 /nfs/dbraw/zinc/32/68/06/205326806.db2.gz OWBSAKCTQZGDKT-YKSBVNFPSA-N 0 3 395.547 4.206 40 0 GIABHN COc1ccc(-c2cccc(CN3CCC(O)(c4cccnc4F)CC3)c2)cc1 ZINC000072340004 205327007 /nfs/dbraw/zinc/32/70/07/205327007.db2.gz OKFRFZPEOUYGAE-UHFFFAOYSA-N 0 3 392.474 4.380 40 0 GIABHN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000072345899 205329887 /nfs/dbraw/zinc/32/98/87/205329887.db2.gz ZUTFRVAYTUMVFG-SFHVURJKSA-N 0 3 392.478 4.253 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)c(C)n1 ZINC000072376058 205338229 /nfs/dbraw/zinc/33/82/29/205338229.db2.gz GUJCIZMTVVSPOG-LJQANCHMSA-N 0 3 390.535 4.433 40 0 GIABHN O=C(CN1CCCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 ZINC000072380348 205339721 /nfs/dbraw/zinc/33/97/21/205339721.db2.gz IIVJULYYEHTRQS-LJQANCHMSA-N 0 3 386.927 4.270 40 0 GIABHN O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503186 205924275 /nfs/dbraw/zinc/92/42/75/205924275.db2.gz YORIHYXUOMOXFU-DLBZAZTESA-N 0 3 380.488 4.335 40 0 biogenic,in-vitro GIABHN CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000223826472 206007289 /nfs/dbraw/zinc/00/72/89/206007289.db2.gz PWDHBUBOOWHEJF-FQEVSTJZSA-N 0 3 398.522 4.356 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(Cl)cc3)CC2)c1 ZINC000224528353 206021715 /nfs/dbraw/zinc/02/17/15/206021715.db2.gz DJKAOMBMUYXZLD-UHFFFAOYSA-N 0 3 386.923 4.056 40 0 GIABHN O=C(NCCSC1CCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000224795551 206027179 /nfs/dbraw/zinc/02/71/79/206027179.db2.gz TWYORCRDVPGBOL-KRWDZBQOSA-N 0 3 380.985 4.344 40 0 GIABHN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225695908 206066755 /nfs/dbraw/zinc/06/67/55/206066755.db2.gz LYMIBNKLRQYIPC-UHFFFAOYSA-N 0 3 378.557 4.433 40 0 GIABHN CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225688534 206068159 /nfs/dbraw/zinc/06/81/59/206068159.db2.gz QQKJEWWJLHAKRW-QFIPXVFZSA-N 0 3 376.541 4.331 40 0 GIABHN Cc1cc(C)nc([N-]c2cncc(C3CC[NH+](CC4CCCCC4)CC3)n2)n1 ZINC000257224991 206162829 /nfs/dbraw/zinc/16/28/29/206162829.db2.gz FEJPCKMMCLABND-UHFFFAOYSA-N 0 3 380.540 4.387 40 0 GIABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(C)c4)C2)OC3)c1 ZINC000306139235 206204868 /nfs/dbraw/zinc/20/48/68/206204868.db2.gz SSYCWDZQKAAGNQ-DEOSSOPVSA-N 0 3 389.499 4.042 40 0 GIABHN Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306140135 206205365 /nfs/dbraw/zinc/20/53/65/206205365.db2.gz ULIQQHOIJMWBPG-QFIPXVFZSA-N 0 3 381.426 4.003 40 0 GIABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(C)s4)C2)OC3)c1 ZINC000306141992 206206607 /nfs/dbraw/zinc/20/66/07/206206607.db2.gz WLYNZJKKXCBGKL-JOCHJYFZSA-N 0 3 395.528 4.104 40 0 GIABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306125560 206196288 /nfs/dbraw/zinc/19/62/88/206196288.db2.gz CTYZLRWHZBBJAY-QFIPXVFZSA-N 0 3 383.499 4.479 40 0 GIABHN Cc1ccc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)s1 ZINC000306130523 206198289 /nfs/dbraw/zinc/19/82/89/206198289.db2.gz JIUROBKFGJJUGT-SFHVURJKSA-N 0 3 375.501 4.151 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306131128 206201416 /nfs/dbraw/zinc/20/14/16/206201416.db2.gz JXJSNMFKEVFXGN-NRFANRHFSA-N 0 3 399.498 4.180 40 0 GIABHN CCN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(Cc3cccs3)C2)C1 ZINC000306134900 206203175 /nfs/dbraw/zinc/20/31/75/206203175.db2.gz OBBPOBKWEQMRPP-QHCPKHFHSA-N 0 3 392.572 4.438 40 0 GIABHN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCCC2)cc1 ZINC000010691205 221106011 /nfs/dbraw/zinc/10/60/11/221106011.db2.gz BPZRFQARLFCQMP-UHFFFAOYSA-N 0 3 391.515 4.161 40 0 GIABHN O=C(c1ccc(Br)cc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408613190 534691791 /nfs/dbraw/zinc/69/17/91/534691791.db2.gz XVEVBTMJNFKTRT-HXUWFJFHSA-N 0 3 399.332 4.112 40 0 GIABHN O=C(c1ccccc1Br)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408605831 534747782 /nfs/dbraw/zinc/74/77/82/534747782.db2.gz GVSLXJQFBCTSEP-SFHVURJKSA-N 0 3 399.332 4.112 40 0 GIABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000163790276 560044323 /nfs/dbraw/zinc/04/43/23/560044323.db2.gz GUMLCSIEVNHVBR-MZLICYQSSA-N 0 3 377.484 4.355 40 0 biogenic,in-vitro GIABHN CCN(CC)CCOC(=O)Cc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 ZINC000001582680 570265266 /nfs/dbraw/zinc/26/52/66/570265266.db2.gz FPGADIJOIXZMCN-UHFFFAOYSA-N 0 3 393.483 4.196 40 0 GIABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000001664915 570266970 /nfs/dbraw/zinc/26/69/70/570266970.db2.gz JKIKZSHRKOYNIU-UHFFFAOYSA-N 0 3 389.883 4.483 40 0 GIABHN O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000021800262 570313469 /nfs/dbraw/zinc/31/34/69/570313469.db2.gz CVEDHBLGVNAQGZ-OUKQBFOZSA-N 0 3 387.483 4.254 40 0 GIABHN CN(C)CCN(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1cccnc1 ZINC000022931655 570379311 /nfs/dbraw/zinc/37/93/11/570379311.db2.gz YQMFZSLMOJTFFP-UHFFFAOYSA-N 0 3 393.506 4.364 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000222887695 570430254 /nfs/dbraw/zinc/43/02/54/570430254.db2.gz QONKHMWMZSNWBK-UHFFFAOYSA-N 0 3 392.528 4.364 40 0 GIABHN CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039742036 570446900 /nfs/dbraw/zinc/44/69/00/570446900.db2.gz RFJVDMMSZHISSE-UHFFFAOYSA-N 0 3 393.531 4.019 40 0 GIABHN COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039757939 570449600 /nfs/dbraw/zinc/44/96/00/570449600.db2.gz KXCPGPCXBIZDDK-UHFFFAOYSA-N 0 3 376.859 4.338 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c1 ZINC000100837905 570561151 /nfs/dbraw/zinc/56/11/51/570561151.db2.gz MIIQIGDVJVVLPG-FKBYEOEOSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000101026376 570603465 /nfs/dbraw/zinc/60/34/65/570603465.db2.gz SYBDVGVMJKJPBQ-MZYLBHOOSA-N 0 3 398.462 4.355 40 0 GIABHN COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000004856814 570638377 /nfs/dbraw/zinc/63/83/77/570638377.db2.gz QIXWATIPOIUSQV-IHWFROFDSA-N 0 3 399.535 4.316 40 0 GIABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000260930909 570714970 /nfs/dbraw/zinc/71/49/70/570714970.db2.gz LBFDOQJIMSJJSD-JTSKRJEESA-N 0 3 380.507 4.404 40 0 GIABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000013674607 570771630 /nfs/dbraw/zinc/77/16/30/570771630.db2.gz GAOOBGXLVBTDDL-MRXNPFEDSA-N 0 3 393.380 4.067 40 0 GIABHN COc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019082034 570956109 /nfs/dbraw/zinc/95/61/09/570956109.db2.gz HEBUSWSKGZAUEF-QFIPXVFZSA-N 0 3 395.547 4.206 40 0 GIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(N3CCCC3=O)cc2)o1 ZINC000019216474 570961757 /nfs/dbraw/zinc/96/17/57/570961757.db2.gz XWLHZEWPYKATEO-UHFFFAOYSA-N 0 3 392.503 4.004 40 0 GIABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCCC2 ZINC000019215984 570961889 /nfs/dbraw/zinc/96/18/89/570961889.db2.gz AVKOHJMUXDCELH-HOKHCIIBSA-N 0 3 392.543 4.007 40 0 GIABHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC1CCC2(CC2(F)F)CC1 ZINC000660515930 570973266 /nfs/dbraw/zinc/97/32/66/570973266.db2.gz ZWCQCUDBJQGESK-LYGPFTKASA-N 0 3 397.535 4.227 40 0 GIABHN O=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3cccs3)CC2)no1 ZINC000019343413 570977034 /nfs/dbraw/zinc/97/70/34/570977034.db2.gz VIMDIEUZMPXYQC-UHFFFAOYSA-N 0 3 399.491 4.185 40 0 GIABHN CC1CCN(C(=O)c2cc([C@@H]3CCCN(CCCc4ccccc4)C3)no2)CC1 ZINC000019496732 570990098 /nfs/dbraw/zinc/99/00/98/570990098.db2.gz UFZNIQLAMLXARI-OAQYLSRUSA-N 0 3 395.547 4.359 40 0 GIABHN CCCNC(=O)c1cc([C@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000019503705 570993627 /nfs/dbraw/zinc/99/36/27/570993627.db2.gz XYGILKPYSUWMKS-IBGZPJMESA-N 0 3 377.488 4.347 40 0 GIABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCC2 ZINC000019532504 570999339 /nfs/dbraw/zinc/99/93/39/570999339.db2.gz PXYWXDLNPZHXGJ-HOKHCIIBSA-N 0 3 392.543 4.007 40 0 GIABHN Cc1ccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)s1 ZINC000096038271 571097074 /nfs/dbraw/zinc/09/70/74/571097074.db2.gz SCGQMILWHXACAO-UHFFFAOYSA-N 0 3 381.549 4.079 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052767 571097685 /nfs/dbraw/zinc/09/76/85/571097685.db2.gz PZOYXRAWJLFDHG-HXUWFJFHSA-N 0 3 389.543 4.162 40 0 GIABHN Nc1n[nH]c2nc([C@H]3CCCCN3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742906 818604198 /nfs/dbraw/zinc/60/41/98/818604198.db2.gz LTIOMSSKRVTAGG-MRXNPFEDSA-N 0 3 389.425 4.329 40 0 GIABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2cn(C)c3cccc1c23 ZINC000049171501 291135569 /nfs/dbraw/zinc/13/55/69/291135569.db2.gz MVAMYDLEZYVDPW-SFTDATJTSA-N 0 3 393.506 4.235 40 0 biogenic,in-vitro GIABHN COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000035290343 204152119 /nfs/dbraw/zinc/15/21/19/204152119.db2.gz CPEPFIYWOHLCLN-SEJPIABJSA-N 0 3 382.479 4.150 40 0 GIABHN COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cc1OC ZINC000007849921 204253755 /nfs/dbraw/zinc/25/37/55/204253755.db2.gz BSZUQKMCDVNGSI-ACCUITESSA-N 0 3 394.515 4.019 40 0 GIABHN CN(Cc1cc(C[C@@H]2C[C@H](NCc3ccccn3)C2(C)C)no1)c1ccccc1 ZINC000067890146 204260299 /nfs/dbraw/zinc/26/02/99/204260299.db2.gz PZTODPNVMJUFCK-JPYJTQIMSA-N 0 3 390.531 4.453 40 0 biogenic,in-vitro GIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000012328848 204399601 /nfs/dbraw/zinc/39/96/01/204399601.db2.gz YXQOIRCRNDUCMV-UHFFFAOYSA-N 0 3 397.469 4.382 40 0 GIABHN O[C@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000012292429 204389429 /nfs/dbraw/zinc/38/94/29/204389429.db2.gz WTWJMEWIEGPURL-GOSISDBHSA-N 0 3 399.840 4.376 40 0 GIABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329810 204399065 /nfs/dbraw/zinc/39/90/65/204399065.db2.gz PNAIPXYJYHICDW-UXHICEINSA-N 0 3 387.907 4.033 40 0 GIABHN CCc1ccc(C(=O)CCNc2ccc(C(=O)OCCN(CC)CC)cc2)cc1 ZINC000036646389 205019732 /nfs/dbraw/zinc/01/97/32/205019732.db2.gz SLEQLTQYHVJNPK-UHFFFAOYSA-N 0 3 396.531 4.433 40 0 GIABHN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933129 205090839 /nfs/dbraw/zinc/09/08/39/205090839.db2.gz RHSZMCNAFRXVCS-VQIMIIECSA-N 0 3 386.923 4.438 40 0 GIABHN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044932535 205091313 /nfs/dbraw/zinc/09/13/13/205091313.db2.gz XQSUPVGLHXSFOJ-UHFFFAOYSA-N 0 3 388.515 4.097 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c(C)c1 ZINC000044912101 205091362 /nfs/dbraw/zinc/09/13/62/205091362.db2.gz ZWDMHFQPTFCGSD-UHFFFAOYSA-N 0 3 394.515 4.331 40 0 GIABHN CCc1ncc(CN2CCC[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000072350252 205330478 /nfs/dbraw/zinc/33/04/78/205330478.db2.gz RZAUYLRRJJOYJW-HXUWFJFHSA-N 0 3 388.515 4.489 40 0 GIABHN Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072350393 205330711 /nfs/dbraw/zinc/33/07/11/205330711.db2.gz TUWJYKAIVOTRIN-JOCHJYFZSA-N 0 3 391.559 4.029 40 0 GIABHN CCn1ncc(CN2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c1C ZINC000072353353 205332042 /nfs/dbraw/zinc/33/20/42/205332042.db2.gz XPGASFOYWIJKOK-LJQANCHMSA-N 0 3 390.535 4.433 40 0 GIABHN COc1cccc(-c2noc([C@H]3CCN(Cc4ccc5ccccc5n4)C3)n2)c1 ZINC000072369892 205335832 /nfs/dbraw/zinc/33/58/32/205335832.db2.gz FRNUGLUWGZHCGL-SFHVURJKSA-N 0 3 386.455 4.283 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 ZINC000072374966 205337248 /nfs/dbraw/zinc/33/72/48/205337248.db2.gz YFASPTDDFOSOMR-LJQANCHMSA-N 0 3 390.535 4.433 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(C)cc3C)CC2)c1 ZINC000224529452 206021815 /nfs/dbraw/zinc/02/18/15/206021815.db2.gz XVJIFKLIHDAUGQ-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN CCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC(C)CC1 ZINC000225720162 206068742 /nfs/dbraw/zinc/06/87/42/206068742.db2.gz GBXZRZWNWUAECI-UHFFFAOYSA-N 0 3 388.552 4.475 40 0 GIABHN COC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCCC1 ZINC000225630659 206062186 /nfs/dbraw/zinc/06/21/86/206062186.db2.gz AANHSOSRZYCFKL-UHFFFAOYSA-N 0 3 388.552 4.475 40 0 GIABHN Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4c[nH]cn4)CC3)CO[C@H]21 ZINC000257203602 206157885 /nfs/dbraw/zinc/15/78/85/206157885.db2.gz AQVJQSYAHALEGK-PZJWPPBQSA-N 0 3 381.520 4.249 40 0 GIABHN Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4cnc[nH]4)CC3)CO[C@H]21 ZINC000257203602 206157889 /nfs/dbraw/zinc/15/78/89/206157889.db2.gz AQVJQSYAHALEGK-PZJWPPBQSA-N 0 3 381.520 4.249 40 0 GIABHN CCn1cc(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)cn1 ZINC000257213382 206160091 /nfs/dbraw/zinc/16/00/91/206160091.db2.gz CHIDLDVHKDZWPX-UHFFFAOYSA-N 0 3 376.508 4.125 40 0 GIABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000257221652 206160541 /nfs/dbraw/zinc/16/05/41/206160541.db2.gz DQACZNHDQUZNDL-INIZCTEOSA-N 0 3 391.450 4.083 40 0 GIABHN Cc1ncsc1CN1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257298942 206174908 /nfs/dbraw/zinc/17/49/08/206174908.db2.gz RNZSKHAYSMSUFK-MRXNPFEDSA-N 0 3 393.491 4.290 40 0 GIABHN CC(C)Oc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(C)C3)ccn2)c1 ZINC000257306322 206176820 /nfs/dbraw/zinc/17/68/20/206176820.db2.gz STUQPOSWGLWSHB-LJQANCHMSA-N 0 3 391.519 4.290 40 0 GIABHN COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2Cc2cccc(C)n2)c1 ZINC000257260176 206168370 /nfs/dbraw/zinc/16/83/70/206168370.db2.gz LBQQJKNVIFYVFL-FIXSFTCYSA-N 0 3 393.531 4.163 40 0 GIABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cn(C)nc4C)C3)c2)cc1 ZINC000257334420 206181845 /nfs/dbraw/zinc/18/18/45/206181845.db2.gz YFUJNHOMALXAQE-GOSISDBHSA-N 0 3 391.519 4.174 40 0 GIABHN Fc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306125954 206197462 /nfs/dbraw/zinc/19/74/62/206197462.db2.gz DGYFWGMDZSOSQI-JOCHJYFZSA-N 0 3 381.426 4.003 40 0 GIABHN Cc1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)s1 ZINC000306130522 206199848 /nfs/dbraw/zinc/19/98/48/206199848.db2.gz JIUROBKFGJJUGT-GOSISDBHSA-N 0 3 375.501 4.151 40 0 GIABHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096100272 570210310 /nfs/dbraw/zinc/21/03/10/570210310.db2.gz PLCMRYQWVLDZLF-JOCHJYFZSA-N 0 3 378.491 4.401 40 0 GIABHN CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C)n1 ZINC000328982106 570210415 /nfs/dbraw/zinc/21/04/15/570210415.db2.gz GXZFGLFFZNIUKB-LBPRGKRZSA-N 0 3 380.414 4.457 40 0 GIABHN Cc1cc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)ccc1C(C)C ZINC000329048263 570214960 /nfs/dbraw/zinc/21/49/60/570214960.db2.gz UIRDXIAVSGSMLY-UHFFFAOYSA-N 0 3 381.446 4.066 40 0 GIABHN O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC000096203014 570219193 /nfs/dbraw/zinc/21/91/93/570219193.db2.gz ROQQUHICSKTMOI-UHFFFAOYSA-N 0 3 386.898 4.146 40 0 GIABHN Clc1cccc(CN2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244345 570223800 /nfs/dbraw/zinc/22/38/00/570223800.db2.gz CCFWFNUMAXDMNM-QHCPKHFHSA-N 0 3 391.902 4.471 40 0 GIABHN CCN(CC)CCOC(=O)[C@H](C)c1cccc2c(=O)cc(-c3ccccc3)oc21 ZINC000001582682 570265296 /nfs/dbraw/zinc/26/52/96/570265296.db2.gz GXPADXQOJKKKOW-QGZVFWFLSA-N 0 3 393.483 4.449 40 0 GIABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C ZINC000001710846 570267278 /nfs/dbraw/zinc/26/72/78/570267278.db2.gz OYTXCXGMLNKVGP-VWLOTQADSA-N 0 3 397.559 4.350 40 0 GIABHN CCN(CC)CCOC(=O)[C@](O)(c1cc(C)c(C)c(C)c1)C1CCCCC1 ZINC000001710841 570267384 /nfs/dbraw/zinc/26/73/84/570267384.db2.gz LODYVPREWYSIAK-HSZRJFAPSA-N 0 3 375.553 4.265 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)COc3cccc4ccccc43)cc2)CC1 ZINC000218916974 570343612 /nfs/dbraw/zinc/34/36/12/570343612.db2.gz WCGLYPBNBRXWQC-UHFFFAOYSA-N 0 3 390.483 4.330 40 0 GIABHN CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 ZINC000222665945 570419677 /nfs/dbraw/zinc/41/96/77/570419677.db2.gz PIIDFVGBBGQGIE-UHFFFAOYSA-N 0 3 376.551 4.134 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101176404 570423620 /nfs/dbraw/zinc/42/36/20/570423620.db2.gz HCYCUAOHHQFOOQ-VSKRKVRLSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000101178826 570433159 /nfs/dbraw/zinc/43/31/59/570433159.db2.gz GKRZWPGGLFLQQA-VSKRKVRLSA-N 0 3 384.435 4.046 40 0 GIABHN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039754052 570447426 /nfs/dbraw/zinc/44/74/26/570447426.db2.gz HCCSZTAMWQZOQS-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN Cc1ccc(SCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039752670 570447495 /nfs/dbraw/zinc/44/74/95/570447495.db2.gz FNCDOVZGGJBRJC-UHFFFAOYSA-N 0 3 382.573 4.424 40 0 GIABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000223242707 570452227 /nfs/dbraw/zinc/45/22/27/570452227.db2.gz LBFDOQJIMSJJSD-HTAPYJJXSA-N 0 3 380.507 4.404 40 0 GIABHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1 ZINC000028296093 570457741 /nfs/dbraw/zinc/45/77/41/570457741.db2.gz PLMKJTCJHREUTN-OAQYLSRUSA-N 0 3 377.488 4.463 40 0 GIABHN O=c1c2ccccc2nc(SCCN2CCCCC2)n1CCc1ccccc1 ZINC000000905604 570516367 /nfs/dbraw/zinc/51/63/67/570516367.db2.gz BHTBDJMRXLCQNE-UHFFFAOYSA-N 0 3 393.556 4.217 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000100799231 570558834 /nfs/dbraw/zinc/55/88/34/570558834.db2.gz QKTVQSXOOWUXFK-AQNXPRMDSA-N 0 3 390.464 4.108 40 0 GIABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000012362787 570646344 /nfs/dbraw/zinc/64/63/44/570646344.db2.gz VFGUTDBZVZHMLM-SFHVURJKSA-N 0 3 385.577 4.268 40 0 GIABHN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000013763783 570676294 /nfs/dbraw/zinc/67/62/94/570676294.db2.gz NENICZBEIUETKY-WNSKOXEYSA-N 0 3 397.519 4.102 40 0 GIABHN O=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)C[C@H]1CN1CCCC1 ZINC000012651007 570695094 /nfs/dbraw/zinc/69/50/94/570695094.db2.gz RWSANADENYLJKX-XZOQPEGZSA-N 0 3 394.515 4.079 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)cc1 ZINC000009062596 570774002 /nfs/dbraw/zinc/77/40/02/570774002.db2.gz IZFFDLYPNQXFAU-UHFFFAOYSA-N 0 3 380.532 4.311 40 0 GIABHN COc1ccc(CN(Cc2ccnc3ccccc23)C[C@H]2CCCO2)cc1OC ZINC000013994193 570868910 /nfs/dbraw/zinc/86/89/10/570868910.db2.gz TTXUMTSSJQMSKE-HXUWFJFHSA-N 0 3 392.499 4.433 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)s1 ZINC000585104349 570930181 /nfs/dbraw/zinc/93/01/81/570930181.db2.gz HPCMLYWTKXZLSF-HXUWFJFHSA-N 0 3 386.561 4.430 40 0 GIABHN Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4cccnc4)[C@H]3C2)c1 ZINC000585107847 570939467 /nfs/dbraw/zinc/93/94/67/570939467.db2.gz RZRPNXJECOPAAP-PMVMPFDFSA-N 0 3 377.532 4.071 40 0 GIABHN Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4cccnc4)[C@@H]3C2)c1 ZINC000585107846 570939575 /nfs/dbraw/zinc/93/95/75/570939575.db2.gz RZRPNXJECOPAAP-MDNUFGMLSA-N 0 3 377.532 4.071 40 0 GIABHN Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4cccnc4)[C@H]3C2)c1 ZINC000585107845 570939799 /nfs/dbraw/zinc/93/97/99/570939799.db2.gz RZRPNXJECOPAAP-ACIOBRDBSA-N 0 3 377.532 4.071 40 0 GIABHN CC(C)(C)c1[nH]c2ncccc2c1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC000019083441 570956191 /nfs/dbraw/zinc/95/61/91/570956191.db2.gz AXKOUVWMDBWALE-UHFFFAOYSA-N 0 3 381.495 4.483 40 0 GIABHN O=C(C[C@@H](NCCc1ccccn1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203779 570959661 /nfs/dbraw/zinc/95/96/61/570959661.db2.gz GULTVHDJZFMIOQ-JOCHJYFZSA-N 0 3 398.462 4.334 40 0 GIABHN Cc1cccc(-c2cc(CNCc3ccc(C(F)(F)F)cc3)c3nnnn3c2)c1 ZINC000019235302 570965412 /nfs/dbraw/zinc/96/54/12/570965412.db2.gz FCAYJTGBCXLGBJ-UHFFFAOYSA-N 0 3 397.404 4.408 40 0 GIABHN Fc1cccc(CN(CCCn2ccnc2)Cc2cccn2-c2cccnc2)c1 ZINC000019293764 570973281 /nfs/dbraw/zinc/97/32/81/570973281.db2.gz BVGSYROOSHMQNI-UHFFFAOYSA-N 0 3 389.478 4.300 40 0 GIABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCc3ccccc3)C2)no1 ZINC000019371275 570981081 /nfs/dbraw/zinc/98/10/81/570981081.db2.gz RHXQXFAGCMCTCP-LJQANCHMSA-N 0 3 381.520 4.159 40 0 GIABHN CCc1oc2ccccc2c1CN1CCC([C@H](NC(C)=O)c2ccccn2)CC1 ZINC000019521355 570994546 /nfs/dbraw/zinc/99/45/46/570994546.db2.gz VMRMIDRFIAAJJH-DEOSSOPVSA-N 0 3 391.515 4.480 40 0 GIABHN CCCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)no1 ZINC000019525375 570996921 /nfs/dbraw/zinc/99/69/21/570996921.db2.gz YHXKKJDVHHMAHH-NNWRFLSQSA-N 0 3 381.520 4.110 40 0 GIABHN CN(C)c1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019584584 571015332 /nfs/dbraw/zinc/01/53/32/571015332.db2.gz SRODBANAAFVVCH-LJQANCHMSA-N 0 3 391.494 4.123 40 0 GIABHN COc1c(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(C)nn1C ZINC000019715713 571037637 /nfs/dbraw/zinc/03/76/37/571037637.db2.gz PUKBXHHZDCAKSG-QGZVFWFLSA-N 0 3 381.524 4.047 40 0 GIABHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096037029 571096521 /nfs/dbraw/zinc/09/65/21/571096521.db2.gz OURVIGRCEWXOPH-UHFFFAOYSA-N 0 3 392.572 4.438 40 0 GIABHN COc1ccc(CN2CCC3(CCC(=O)N3Cc3cccc(C)c3)CC2)cc1 ZINC000096049439 571097331 /nfs/dbraw/zinc/09/73/31/571097331.db2.gz ULNVMUGVYDQORO-UHFFFAOYSA-N 0 3 378.516 4.161 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NC1CCC1 ZINC000096052764 571097520 /nfs/dbraw/zinc/09/75/20/571097520.db2.gz BDGDWUAWUUPEAS-IBGZPJMESA-N 0 3 389.543 4.162 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NCC1CC1 ZINC000096052677 571097585 /nfs/dbraw/zinc/09/75/85/571097585.db2.gz BOBIZXXEUTYWIB-HXUWFJFHSA-N 0 3 389.543 4.019 40 0 GIABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765267 818604940 /nfs/dbraw/zinc/60/49/40/818604940.db2.gz XEEBKBHXGKRTBX-HXUWFJFHSA-N 0 3 386.499 4.417 40 0 GIABHN C[C@@]12C(=O)N(c3ccccc3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004545833 204052243 /nfs/dbraw/zinc/05/22/43/204052243.db2.gz OCVIWFTWHXETLP-IMSXRSKXSA-N 0 3 384.435 4.128 40 0 GIABHN CCCN1c2ccccc2C(=O)N(CCN(CC)CC)c2ccccc2C1=O ZINC000005468499 204134709 /nfs/dbraw/zinc/13/47/09/204134709.db2.gz RIEPYFNQNCOSFH-UHFFFAOYSA-N 0 3 379.504 4.045 40 0 GIABHN COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012292278 204389054 /nfs/dbraw/zinc/38/90/54/204389054.db2.gz XHDIMGDNDJKRIS-JOCHJYFZSA-N 0 3 383.532 4.010 40 0 GIABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293521 204389185 /nfs/dbraw/zinc/38/91/85/204389185.db2.gz ZHVDRMZGFHRTSL-XZOQPEGZSA-N 0 3 395.543 4.304 40 0 GIABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291595 204390017 /nfs/dbraw/zinc/39/00/17/204390017.db2.gz OOEKHCDGDSZTSQ-DEOSSOPVSA-N 0 3 390.527 4.199 40 0 GIABHN CCn1cc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012344646 204398181 /nfs/dbraw/zinc/39/81/81/204398181.db2.gz YIBJYZXEVIWNCX-UHFFFAOYSA-N 0 3 393.506 4.428 40 0 GIABHN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834007 205039508 /nfs/dbraw/zinc/03/95/08/205039508.db2.gz FZOOLTRGULNIDV-OAHLLOKOSA-N 0 3 391.284 4.439 40 0 GIABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000038772145 205039579 /nfs/dbraw/zinc/03/95/79/205039579.db2.gz WVGREZCBBUQOBS-SFHVURJKSA-N 0 3 396.531 4.427 40 0 GIABHN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849399 205039712 /nfs/dbraw/zinc/03/97/12/205039712.db2.gz KFDNCCNZAVXGID-OAHLLOKOSA-N 0 3 376.859 4.338 40 0 GIABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000038834941 205039147 /nfs/dbraw/zinc/03/91/47/205039147.db2.gz FZJJVYJUEYRFGJ-MRXNPFEDSA-N 0 3 388.895 4.208 40 0 GIABHN Cc1cc2c(cc1CN(CCCn1ccnc1)Cc1ccc(F)cc1)OCO2 ZINC000043277684 205082130 /nfs/dbraw/zinc/08/21/30/205082130.db2.gz PRWNPKCDZVHDJL-UHFFFAOYSA-N 0 3 381.451 4.152 40 0 GIABHN C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000043744355 205083989 /nfs/dbraw/zinc/08/39/89/205083989.db2.gz NMJASIOPLDLLSA-QGZVFWFLSA-N 0 3 386.923 4.410 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)COc3ccccc3C)CC2)cc1 ZINC000044852554 205087751 /nfs/dbraw/zinc/08/77/51/205087751.db2.gz VFYGIDVAYRCHKU-HXUWFJFHSA-N 0 3 380.532 4.099 40 0 GIABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000044936363 205090553 /nfs/dbraw/zinc/09/05/53/205090553.db2.gz DLRRHTBCERKYNK-JOCHJYFZSA-N 0 3 384.495 4.314 40 0 GIABHN CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2O1 ZINC000044918324 205091519 /nfs/dbraw/zinc/09/15/19/205091519.db2.gz OADQGKMRWGZJFF-OAQYLSRUSA-N 0 3 378.516 4.317 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000044932215 205091587 /nfs/dbraw/zinc/09/15/87/205091587.db2.gz PKINIDJUJGQGSR-UHFFFAOYSA-N 0 3 380.532 4.311 40 0 GIABHN Cc1ccc(OCCN2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352188 205333049 /nfs/dbraw/zinc/33/30/49/205333049.db2.gz WLOAPJYLSMPTGU-INIZCTEOSA-N 0 3 380.513 4.177 40 0 GIABHN Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375755 205337055 /nfs/dbraw/zinc/33/70/55/205337055.db2.gz MAEVPWKLPWFWMA-OAQYLSRUSA-N 0 3 384.487 4.444 40 0 GIABHN c1cc2cc(CN3CCC[C@H](c4ccnc(Nc5ccccn5)n4)C3)ccc2[nH]1 ZINC000072378106 205338846 /nfs/dbraw/zinc/33/88/46/205338846.db2.gz JFJISTCCKMNLNK-IBGZPJMESA-N 0 3 384.487 4.476 40 0 GIABHN CCc1nccn1-c1cccc(C2CCN(Cc3ccc(OC)cc3)CC2)n1 ZINC000072378686 205339005 /nfs/dbraw/zinc/33/90/05/205339005.db2.gz PLKXRZOPQNAYKO-UHFFFAOYSA-N 0 3 376.504 4.218 40 0 GIABHN Cc1cnc(Nc2cc(C[C@@H]3CCCN(Cc4cccnc4)C3)nc(C)n2)s1 ZINC000072383468 205339521 /nfs/dbraw/zinc/33/95/21/205339521.db2.gz JKJCJYLLHJWECH-KRWDZBQOSA-N 0 3 394.548 4.143 40 0 GIABHN Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3ccccn3)C2)n[nH]1 ZINC000072378129 205340474 /nfs/dbraw/zinc/34/04/74/205340474.db2.gz XKTBJQHJCVJQJB-MRXNPFEDSA-N 0 3 382.895 4.069 40 0 GIABHN Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3ccccn3)C2)[nH]n1 ZINC000072378129 205340479 /nfs/dbraw/zinc/34/04/79/205340479.db2.gz XKTBJQHJCVJQJB-MRXNPFEDSA-N 0 3 382.895 4.069 40 0 GIABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccccc1 ZINC000224156652 206014493 /nfs/dbraw/zinc/01/44/93/206014493.db2.gz MEBBFNUFVFVTDQ-VXKWHMMOSA-N 0 3 397.507 4.444 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)CC1 ZINC000224330902 206019305 /nfs/dbraw/zinc/01/93/05/206019305.db2.gz BAIUSZXADZDUPE-UHFFFAOYSA-N 0 3 386.923 4.381 40 0 GIABHN CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836670 206030002 /nfs/dbraw/zinc/03/00/02/206030002.db2.gz YAZLAPVBDOFPQI-JOCHJYFZSA-N 0 3 380.532 4.455 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC000224926427 206031024 /nfs/dbraw/zinc/03/10/24/206031024.db2.gz YVQDTMDQJZDDBG-UHFFFAOYSA-N 0 3 377.532 4.446 40 0 GIABHN O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccccc2)CC1 ZINC000224972972 206032565 /nfs/dbraw/zinc/03/25/65/206032565.db2.gz CRSSAYGJZXUQIH-UHFFFAOYSA-N 0 3 378.501 4.056 40 0 GIABHN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000225651749 206064093 /nfs/dbraw/zinc/06/40/93/206064093.db2.gz NVJLQXXPSGLCME-UHFFFAOYSA-N 0 3 382.523 4.479 40 0 GIABHN CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccnc(C(C)(C)C)n2)[C@H](c2cccc(F)c2)N1 ZINC000257209656 206159764 /nfs/dbraw/zinc/15/97/64/206159764.db2.gz BRIQHIBHJHUXBS-NEWSRXKRSA-N 0 3 398.526 4.015 40 0 GIABHN Cc1cc(C)nc(Nc2cncc(C3CCN(Cc4ccc(F)cc4)CC3)n2)n1 ZINC000257215453 206160590 /nfs/dbraw/zinc/16/05/90/206160590.db2.gz CQDSQNKLAPDBMP-UHFFFAOYSA-N 0 3 392.482 4.146 40 0 GIABHN Cc1ncc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccccc2)s1 ZINC000257344437 206182610 /nfs/dbraw/zinc/18/26/10/206182610.db2.gz ZXEUGTIESHQSBM-IFMALSPDSA-N 0 3 383.561 4.387 40 0 GIABHN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257338727 206181179 /nfs/dbraw/zinc/18/11/79/206181179.db2.gz YYSNZHVUTMXWJF-UWJYYQICSA-N 0 3 387.524 4.347 40 0 GIABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306134199 206204033 /nfs/dbraw/zinc/20/40/33/206204033.db2.gz NFOUMMKKZDPRMK-HXUWFJFHSA-N 0 3 375.520 4.018 40 0 GIABHN O=C(c1ccccc1Br)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408610705 534747543 /nfs/dbraw/zinc/74/75/43/534747543.db2.gz RPLDNIJVPXLEQH-UHFFFAOYSA-N 0 3 399.332 4.112 40 0 GIABHN C[C@@]1(O)CCN(CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289694 560032110 /nfs/dbraw/zinc/03/21/10/560032110.db2.gz BIHQFZKXWIDZRC-QNWVGRARSA-N 0 3 398.572 4.235 40 0 biogenic,in-vitro GIABHN CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C)n1 ZINC000329069116 570216721 /nfs/dbraw/zinc/21/67/21/570216721.db2.gz YVIJRUAKCTZBEF-LBPRGKRZSA-N 0 3 380.414 4.457 40 0 GIABHN Cc1nc(C2CCN(Cc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764165 570217204 /nfs/dbraw/zinc/21/72/04/570217204.db2.gz WVLCKVOJPXXVKG-UHFFFAOYSA-N 0 3 386.499 4.417 40 0 GIABHN Cc1cc(OC[C@@]2(O)COCCN([C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287548 570258679 /nfs/dbraw/zinc/25/86/79/570258679.db2.gz OEPPLCYXPUVWAI-YDHSSHFGSA-N 0 3 393.543 4.181 40 0 GIABHN COc1cccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020491389 570263011 /nfs/dbraw/zinc/26/30/11/570263011.db2.gz HHJDYYWDQRBELC-UHFFFAOYSA-N 0 3 380.532 4.290 40 0 GIABHN CCCCN1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216468 570317262 /nfs/dbraw/zinc/31/72/62/570317262.db2.gz VSNSVOSKRVVHBQ-IBGZPJMESA-N 0 3 388.556 4.076 40 0 GIABHN CCOC(=O)c1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022076230 570320614 /nfs/dbraw/zinc/32/06/14/570320614.db2.gz ZIVQDTQJVZJMLV-KSFYIVLOSA-N 0 3 379.456 4.335 40 0 GIABHN COc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022534255 570321215 /nfs/dbraw/zinc/32/12/15/570321215.db2.gz RRUNIJHZKSBPBY-IBGZPJMESA-N 0 3 396.531 4.124 40 0 GIABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936237 570322568 /nfs/dbraw/zinc/32/25/68/570322568.db2.gz ARYQIIRDHCXNGX-SIKLNZKXSA-N 0 3 384.495 4.314 40 0 GIABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccc2)n1 ZINC000244096192 570458458 /nfs/dbraw/zinc/45/84/58/570458458.db2.gz UGODJXWELSYNGY-UHFFFAOYSA-N 0 3 387.409 4.278 40 0 GIABHN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000030946084 570501721 /nfs/dbraw/zinc/50/17/21/570501721.db2.gz KAXNRLLZJFCTHS-LJQANCHMSA-N 0 3 386.923 4.219 40 0 GIABHN COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000030946087 570501809 /nfs/dbraw/zinc/50/18/09/570501809.db2.gz KAXNRLLZJFCTHS-IBGZPJMESA-N 0 3 386.923 4.219 40 0 GIABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 ZINC000035291752 570551232 /nfs/dbraw/zinc/55/12/32/570551232.db2.gz KDHDZXKMUXQSHP-AYHJJNSGSA-N 0 3 384.907 4.274 40 0 GIABHN CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010324705 570568853 /nfs/dbraw/zinc/56/88/53/570568853.db2.gz SJSZXLVRFWOPME-UHFFFAOYSA-N 0 3 380.488 4.492 40 0 GIABHN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002312405 570589697 /nfs/dbraw/zinc/58/96/97/570589697.db2.gz GFUQQOVSQZRWCR-NPGVVQFXSA-N 0 3 397.519 4.182 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)c(C)c1 ZINC000101027544 570603433 /nfs/dbraw/zinc/60/34/33/570603433.db2.gz XHLBOAOLNLRFDC-ZLNRFVROSA-N 0 3 398.462 4.355 40 0 GIABHN Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2CC(C)C ZINC000101033536 570616016 /nfs/dbraw/zinc/61/60/16/570616016.db2.gz JUUJKPHJIMKYQY-UFYCRDLUSA-N 0 3 398.890 4.373 40 0 GIABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](CC(C)C)[C@@H]2C1=O ZINC000101033536 570616019 /nfs/dbraw/zinc/61/60/19/570616019.db2.gz JUUJKPHJIMKYQY-UFYCRDLUSA-N 0 3 398.890 4.373 40 0 GIABHN O=C(OCc1ccccc1)N1C[C@@H](OCc2ccccc2)C[C@H]1CN1CCCC1 ZINC000012651002 570694993 /nfs/dbraw/zinc/69/49/93/570694993.db2.gz RWSANADENYLJKX-GOTSBHOMSA-N 0 3 394.515 4.079 40 0 GIABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000102731065 570720580 /nfs/dbraw/zinc/72/05/80/570720580.db2.gz CGVSMVAPPLMWHE-BHDDXSALSA-N 0 3 386.451 4.318 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000097954476 570772829 /nfs/dbraw/zinc/77/28/29/570772829.db2.gz NTWYOLBMNRGCRN-VABKMULXSA-N 0 3 398.462 4.355 40 0 GIABHN C[C@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103565 570929222 /nfs/dbraw/zinc/92/92/22/570929222.db2.gz DMRCQCJPAVDZMB-JXALWOEJSA-N 0 3 378.516 4.060 40 0 GIABHN COc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082046 570956060 /nfs/dbraw/zinc/95/60/60/570956060.db2.gz LGEAGVZAWGWKMQ-JOCHJYFZSA-N 0 3 395.547 4.206 40 0 GIABHN COc1ccccc1-c1ccc(CN2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019497387 570990426 /nfs/dbraw/zinc/99/04/26/570990426.db2.gz VCPMNXIKEUVYHL-WOJBJXKFSA-N 0 3 394.559 4.436 40 0 GIABHN COc1cc(C)c(CN2CCC(c3cc4ncccc4cn3)CC2)cc1OC ZINC000019567063 571008278 /nfs/dbraw/zinc/00/82/78/571008278.db2.gz QYIRFLQFKYNWFO-UHFFFAOYSA-N 0 3 377.488 4.335 40 0 GIABHN CN(C)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019584586 571015298 /nfs/dbraw/zinc/01/52/98/571015298.db2.gz SRODBANAAFVVCH-IBGZPJMESA-N 0 3 391.494 4.123 40 0 GIABHN COc1cc(C)ccc1CN1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1 ZINC000019688091 571028656 /nfs/dbraw/zinc/02/86/56/571028656.db2.gz AICPKJHMKCVVCI-UHFFFAOYSA-N 0 3 376.504 4.179 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052680 571097572 /nfs/dbraw/zinc/09/75/72/571097572.db2.gz BSNCFMKUWDPCFO-NRFANRHFSA-N 0 3 389.543 4.019 40 0 GIABHN CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052709 571097642 /nfs/dbraw/zinc/09/76/42/571097642.db2.gz FLNUUHCBDDQJTF-LJQANCHMSA-N 0 3 380.507 4.325 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052744 571097664 /nfs/dbraw/zinc/09/76/64/571097664.db2.gz JLNQAFUTWRKYSQ-IBGZPJMESA-N 0 3 378.516 4.360 40 0 GIABHN Clc1ccc2[nH]c(C3CCN(C[C@@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315405 204168084 /nfs/dbraw/zinc/16/80/84/204168084.db2.gz OXKSJVGFWJXBIK-MRXNPFEDSA-N 0 3 383.879 4.236 40 0 GIABHN CC(C)(C)C1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012326665 204399638 /nfs/dbraw/zinc/39/96/38/204399638.db2.gz AXUPRLXFRROECP-JOCHJYFZSA-N 0 3 384.564 4.167 40 0 GIABHN C[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185647 204379540 /nfs/dbraw/zinc/37/95/40/204379540.db2.gz KVHANYNAKMMDJV-GOSISDBHSA-N 0 3 375.468 4.465 40 0 GIABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293516 204389746 /nfs/dbraw/zinc/38/97/46/204389746.db2.gz ZHVDRMZGFHRTSL-DHIUTWEWSA-N 0 3 395.543 4.304 40 0 GIABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3C/C=C/c2ccccc2OC)cc1 ZINC000012328931 204398890 /nfs/dbraw/zinc/39/88/90/204398890.db2.gz TXVDEIUSQLRHMO-MZDXCHPPSA-N 0 3 379.500 4.232 40 0 GIABHN Cc1nccc(-c2cccc(-c3noc(CN4C[C@@H]5CCCC[C@H]5C4)n3)c2)n1 ZINC000012337250 204399097 /nfs/dbraw/zinc/39/90/97/204399097.db2.gz QPTHWYBEJNJWGN-OALUTQOASA-N 0 3 375.476 4.124 40 0 GIABHN Cc1nccc(-c2cccc(-c3noc(CN4C[C@@H]5CCCC[C@@H]5C4)n3)c2)n1 ZINC000012337248 204399226 /nfs/dbraw/zinc/39/92/26/204399226.db2.gz QPTHWYBEJNJWGN-KDURUIRLSA-N 0 3 375.476 4.124 40 0 GIABHN Fc1cccc(CN(CCCn2ccnc2)Cc2cccn2-c2ccccn2)c1 ZINC000043277726 205083522 /nfs/dbraw/zinc/08/35/22/205083522.db2.gz BXEDBCGWQZZAIK-UHFFFAOYSA-N 0 3 389.478 4.300 40 0 GIABHN CCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044909928 205090614 /nfs/dbraw/zinc/09/06/14/205090614.db2.gz CPDUASDAEMXERC-OAQYLSRUSA-N 0 3 398.522 4.185 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000044911529 205091142 /nfs/dbraw/zinc/09/11/42/205091142.db2.gz POUASTXUEZWWFY-UHFFFAOYSA-N 0 3 380.488 4.348 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c(C)c1 ZINC000044912097 205091278 /nfs/dbraw/zinc/09/12/78/205091278.db2.gz GDHXWVXDPBDUNE-UHFFFAOYSA-N 0 3 394.515 4.331 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044911852 205091439 /nfs/dbraw/zinc/09/14/39/205091439.db2.gz SZHVBUKDGDPLCM-LJQANCHMSA-N 0 3 398.478 4.162 40 0 GIABHN NC(=O)c1cccc(-c2cccc([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000072348592 205331308 /nfs/dbraw/zinc/33/13/08/205331308.db2.gz GBMOZUJYLWCEQI-FQEVSTJZSA-N 0 3 389.474 4.366 40 0 GIABHN Cc1ccc(OCCN2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352189 205331915 /nfs/dbraw/zinc/33/19/15/205331915.db2.gz WLOAPJYLSMPTGU-MRXNPFEDSA-N 0 3 380.513 4.177 40 0 GIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(Cc3ccnn3C)C2)n1 ZINC000072352029 205333155 /nfs/dbraw/zinc/33/31/55/205333155.db2.gz OLEXUAWVDRJHFW-KRWDZBQOSA-N 0 3 379.483 4.386 40 0 GIABHN C[C@@H](CN1CCNC(=O)[C@H](Cc2cccc(-c3cccnc3)c2)C1)c1ccccc1 ZINC000072388969 205341914 /nfs/dbraw/zinc/34/19/14/205341914.db2.gz FKLPLGKKHSPEQE-NBGIEHNGSA-N 0 3 399.538 4.143 40 0 GIABHN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)C[C@@H](C)c2ccccc2)on1 ZINC000072395075 205344224 /nfs/dbraw/zinc/34/42/24/205344224.db2.gz MANJAOQJUMFZAT-IHLLOCCUSA-N 0 3 391.515 4.241 40 0 GIABHN COCCCN(Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccncc1 ZINC000072397128 205344546 /nfs/dbraw/zinc/34/45/46/205344546.db2.gz XBAPYYAWZCLJNT-UHFFFAOYSA-N 0 3 376.460 4.257 40 0 GIABHN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000223076410 205991033 /nfs/dbraw/zinc/99/10/33/205991033.db2.gz SIYGUEROEZVEMY-SFHVURJKSA-N 0 3 396.531 4.102 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000224530365 206022573 /nfs/dbraw/zinc/02/25/73/206022573.db2.gz KXWKPPAGHWYSED-UHFFFAOYSA-N 0 3 386.923 4.056 40 0 GIABHN CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836715 206029006 /nfs/dbraw/zinc/02/90/06/206029006.db2.gz YAZLAPVBDOFPQI-QFIPXVFZSA-N 0 3 380.532 4.455 40 0 GIABHN Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 ZINC000224840411 206029047 /nfs/dbraw/zinc/02/90/47/206029047.db2.gz NOJPXPRYQRRYFV-FQEVSTJZSA-N 0 3 380.532 4.373 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)CC1 ZINC000225050312 206034421 /nfs/dbraw/zinc/03/44/21/206034421.db2.gz SDLOQNLDUXPILY-UHFFFAOYSA-N 0 3 395.528 4.084 40 0 GIABHN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225702927 206069604 /nfs/dbraw/zinc/06/96/04/206069604.db2.gz BLTPWVBGNXBOGL-QFIPXVFZSA-N 0 3 376.541 4.475 40 0 GIABHN Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCC4)cc3)s2)cc1 ZINC000225576724 206058509 /nfs/dbraw/zinc/05/85/09/206058509.db2.gz YEPZRTCFGIBGMB-UHFFFAOYSA-N 0 3 378.501 4.362 40 0 GIABHN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225622744 206062833 /nfs/dbraw/zinc/06/28/33/206062833.db2.gz YFAJEDPUKLLQKO-JOCHJYFZSA-N 0 3 376.541 4.475 40 0 GIABHN Cc1cnc(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000257217573 206161658 /nfs/dbraw/zinc/16/16/58/206161658.db2.gz CZOBWDVHJYMQGI-INIZCTEOSA-N 0 3 391.450 4.001 40 0 GIABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2Br)CC1 ZINC000255188901 206150719 /nfs/dbraw/zinc/15/07/19/206150719.db2.gz MJVMWLICSMXTGU-SHTZXODSSA-N 0 3 383.330 4.375 40 0 GIABHN COc1cccc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c1 ZINC000257309986 206176410 /nfs/dbraw/zinc/17/64/10/206176410.db2.gz UDELJZOIAJUKGN-UHFFFAOYSA-N 0 3 375.476 4.003 40 0 GIABHN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1cccs1 ZINC000257273279 206170991 /nfs/dbraw/zinc/17/09/91/206170991.db2.gz NFYDBZVRNGKMLL-HXUWFJFHSA-N 0 3 394.544 4.471 40 0 GIABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccccc3Cl)no1)C2 ZINC000257327002 206179468 /nfs/dbraw/zinc/17/94/68/206179468.db2.gz WZLLLPWUNLRULR-SHXMKPCDSA-N 0 3 399.922 4.472 40 0 GIABHN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306140134 206204944 /nfs/dbraw/zinc/20/49/44/206204944.db2.gz ULIQQHOIJMWBPG-JOCHJYFZSA-N 0 3 381.426 4.003 40 0 GIABHN Cc1ccsc1CN1CC[C@@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 ZINC000306144670 206207931 /nfs/dbraw/zinc/20/79/31/206207931.db2.gz ZLSNUVBBXYFKPW-OAQYLSRUSA-N 0 3 395.553 4.317 40 0 GIABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 ZINC000306133142 206200586 /nfs/dbraw/zinc/20/05/86/206200586.db2.gz MDEKIGIBODGDQE-OAQYLSRUSA-N 0 3 383.492 4.234 40 0 GIABHN Fc1ccccc1-c1ccc2nnc(C3CCN(Cc4ccsc4)CC3)n2n1 ZINC000306136345 206202731 /nfs/dbraw/zinc/20/27/31/206202731.db2.gz PQODHRDSMVHNQF-UHFFFAOYSA-N 0 3 393.491 4.372 40 0 GIABHN Cc1ccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)s1 ZINC000306135079 206203821 /nfs/dbraw/zinc/20/38/21/206203821.db2.gz OHJGWNVEKAHWRJ-JOCHJYFZSA-N 0 3 376.529 4.010 40 0 GIABHN CC(C)[C@@H](NCc1cccc(F)c1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744462 519799055 /nfs/dbraw/zinc/79/90/55/519799055.db2.gz JDLUILSFDBTEGZ-JOCHJYFZSA-N 0 3 391.450 4.123 40 0 GIABHN CCOC(=O)C1=C(C)NC(SC(C)C)=N[C@H]1c1cccc(Br)c1 ZINC000408988603 528617770 /nfs/dbraw/zinc/61/77/70/528617770.db2.gz IMPMOLXNKAUAKT-HNNXBMFYSA-N 0 3 397.338 4.428 40 0 GIABHN Cc1nc(NC2CCCC2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329067386 570215929 /nfs/dbraw/zinc/21/59/29/570215929.db2.gz YILZIKTUYUTFGL-UHFFFAOYSA-N 0 3 387.325 4.465 40 0 GIABHN Cc1cnc(Nc2cccc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)n2)s1 ZINC000585262708 570230229 /nfs/dbraw/zinc/23/02/29/570230229.db2.gz VHGXAARSUVMMSL-MRXNPFEDSA-N 0 3 382.537 4.012 40 0 GIABHN Cc1ccccc1OCc1nnc(SCCN2CCCC2)n1-c1ccccc1 ZINC000001356139 570574522 /nfs/dbraw/zinc/57/45/22/570574522.db2.gz QCXXSOISNANRNA-UHFFFAOYSA-N 0 3 394.544 4.343 40 0 GIABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3CCCC(=O)c2ccc(C)cc2)cc1 ZINC000012113127 570609028 /nfs/dbraw/zinc/60/90/28/570609028.db2.gz BTLVJPHRSSORQX-OFFJZUQKSA-N 0 3 393.527 4.481 40 0 GIABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000101062237 570617481 /nfs/dbraw/zinc/61/74/81/570617481.db2.gz BIBIMNXLUWFCTR-OTWHNJEPSA-N 0 3 384.863 4.065 40 0 GIABHN COc1ccc(CN(C)C(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000044880259 570638035 /nfs/dbraw/zinc/63/80/35/570638035.db2.gz HMFYXOUHQFNILR-UHFFFAOYSA-N 0 3 396.531 4.208 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 ZINC000013649466 570766794 /nfs/dbraw/zinc/76/67/94/570766794.db2.gz VVJRLOLNBCTMHO-UHFFFAOYSA-N 0 3 380.488 4.410 40 0 GIABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104794 570933604 /nfs/dbraw/zinc/93/36/04/570933604.db2.gz UCTLJIUXJAMCEK-BWKNWUBXSA-N 0 3 392.543 4.116 40 0 GIABHN COc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019082032 570956004 /nfs/dbraw/zinc/95/60/04/570956004.db2.gz HEBUSWSKGZAUEF-JOCHJYFZSA-N 0 3 395.547 4.206 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccnc2ccccc12 ZINC000019238588 570967743 /nfs/dbraw/zinc/96/77/43/570967743.db2.gz NTXFOMIOGSWEBJ-UHFFFAOYSA-N 0 3 395.572 4.329 40 0 GIABHN c1ccc(OCCCCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019373499 570981612 /nfs/dbraw/zinc/98/16/12/570981612.db2.gz RYILWMGBHFIOQN-UHFFFAOYSA-N 0 3 378.476 4.170 40 0 GIABHN CNc1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019592277 571019302 /nfs/dbraw/zinc/01/93/02/571019302.db2.gz IIPIEJSCWAXUFM-SFHVURJKSA-N 0 3 377.467 4.099 40 0 GIABHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccc(C)o1)CC2 ZINC000096037032 571096401 /nfs/dbraw/zinc/09/64/01/571096401.db2.gz ILXAVCWZJSYYIC-UHFFFAOYSA-N 0 3 390.531 4.278 40 0 GIABHN Fc1cccc(-c2ccc3nc(C4CCN(Cc5ccncc5)CC4)nn3c2)c1 ZINC000096038203 571097099 /nfs/dbraw/zinc/09/70/99/571097099.db2.gz BIEDPXYWKHOBSX-UHFFFAOYSA-N 0 3 387.462 4.310 40 0 GIABHN COc1cccc(CN2CCC3(CCN(C(=O)Cc4ccc(C)cc4)C3)CC2)c1 ZINC000096046648 571097121 /nfs/dbraw/zinc/09/71/21/571097121.db2.gz RKKOAOCFAMKTNZ-UHFFFAOYSA-N 0 3 392.543 4.061 40 0 GIABHN c1cc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cs1 ZINC000096038243 571097406 /nfs/dbraw/zinc/09/74/06/571097406.db2.gz ZLTIMQFAKVHKCT-UHFFFAOYSA-N 0 3 375.501 4.232 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052663 571097567 /nfs/dbraw/zinc/09/75/67/571097567.db2.gz MEWRKBKXKOMOJC-HXUWFJFHSA-N 0 3 378.516 4.217 40 0 GIABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000005296050 204124175 /nfs/dbraw/zinc/12/41/75/204124175.db2.gz GKRZWPGGLFLQQA-BDTNDASRSA-N 0 3 384.435 4.046 40 0 GIABHN CCN(CC)CCOC(=O)[C@@](O)(c1cc(C)c(C)c(C)c1)C1CCCCC1 ZINC000006382251 204175564 /nfs/dbraw/zinc/17/55/64/204175564.db2.gz LODYVPREWYSIAK-QHCPKHFHSA-N 0 3 375.553 4.265 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000012017404 204367581 /nfs/dbraw/zinc/36/75/81/204367581.db2.gz LDVDUVVKRUVWQU-UFYCRDLUSA-N 0 3 390.464 4.108 40 0 GIABHN COc1ccc([C@@H](O)CN2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1 ZINC000012188025 204379566 /nfs/dbraw/zinc/37/95/66/204379566.db2.gz MJJMCXHIXQXQBO-QFIPXVFZSA-N 0 3 379.500 4.286 40 0 GIABHN COc1ccc(CN(Cc2oc3ccc(C)cc3c2C)C[C@@H](C)O)cc1OC ZINC000012185603 204379621 /nfs/dbraw/zinc/37/96/21/204379621.db2.gz IFTCNTNNIMDVRJ-MRXNPFEDSA-N 0 3 383.488 4.450 40 0 GIABHN O[C@H](CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012292047 204389369 /nfs/dbraw/zinc/38/93/69/204389369.db2.gz CSTQJPJUMCOHAR-GOSISDBHSA-N 0 3 399.840 4.376 40 0 GIABHN CCc1cccc2c(CN3CCC(NC(C)=O)(c4ccccc4F)CC3)c[nH]c21 ZINC000012344267 204398548 /nfs/dbraw/zinc/39/85/48/204398548.db2.gz OKWAYCCXNOQSSM-UHFFFAOYSA-N 0 3 393.506 4.497 40 0 GIABHN CC(C)c1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964092 205044075 /nfs/dbraw/zinc/04/40/75/205044075.db2.gz WPCPFPHBDKHLHH-HXUWFJFHSA-N 0 3 388.471 4.239 40 0 GIABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c(Cl)c1 ZINC000039964152 205044591 /nfs/dbraw/zinc/04/45/91/205044591.db2.gz YETICSGNGVPPDM-GOSISDBHSA-N 0 3 394.862 4.077 40 0 GIABHN CC(C)Oc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044882601 205087815 /nfs/dbraw/zinc/08/78/15/205087815.db2.gz KDCAHZJQWDARMP-FQEVSTJZSA-N 0 3 384.495 4.141 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)CC1 ZINC000044907337 205089611 /nfs/dbraw/zinc/08/96/11/205089611.db2.gz GBPHWUVKNGIDSB-UHFFFAOYSA-N 0 3 391.559 4.101 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1C ZINC000044911661 205091539 /nfs/dbraw/zinc/09/15/39/205091539.db2.gz DOVUUBRCNQXQEE-UHFFFAOYSA-N 0 3 394.515 4.331 40 0 GIABHN CCOC(=O)C1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000054218307 205139096 /nfs/dbraw/zinc/13/90/96/205139096.db2.gz OLJQTDMEIJYSTB-JOCHJYFZSA-N 0 3 377.488 4.236 40 0 GIABHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccccc2Br)C1 ZINC000089212682 205186379 /nfs/dbraw/zinc/18/63/79/205186379.db2.gz GFWQQYWGRLOOQZ-AWEZNQCLSA-N 0 3 383.330 4.186 40 0 GIABHN O=C(NCCOc1cccc2ccccc21)C1CCN(Cc2ccccc2)CC1 ZINC000065992157 205239512 /nfs/dbraw/zinc/23/95/12/205239512.db2.gz ZOCCWGPNBZEWEE-UHFFFAOYSA-N 0 3 388.511 4.247 40 0 GIABHN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072345897 205329254 /nfs/dbraw/zinc/32/92/54/205329254.db2.gz MUUINTFRLSSLBQ-KRWDZBQOSA-N 0 3 380.442 4.384 40 0 GIABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350387 205330548 /nfs/dbraw/zinc/33/05/48/205330548.db2.gz UVAKMNSLYPTSHK-LJQANCHMSA-N 0 3 397.950 4.450 40 0 GIABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)Nc4ccccc4)on3)C2)c1 ZINC000072352769 205331635 /nfs/dbraw/zinc/33/16/35/205331635.db2.gz BCVGBYLMBUQLPS-GOSISDBHSA-N 0 3 391.471 4.315 40 0 GIABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000072352499 205331810 /nfs/dbraw/zinc/33/18/10/205331810.db2.gz QVFOQOSPRUFGPY-INIZCTEOSA-N 0 3 380.513 4.259 40 0 GIABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398572 205344515 /nfs/dbraw/zinc/34/45/15/205344515.db2.gz XGORMNGAWILSHX-KNQAVFIVSA-N 0 3 395.547 4.206 40 0 GIABHN O=C(COc1cccc2c1CCCC2)NCc1ccccc1CN1CCCCC1 ZINC000224850887 206029445 /nfs/dbraw/zinc/02/94/45/206029445.db2.gz XZQUSGAHAJOHNP-UHFFFAOYSA-N 0 3 392.543 4.247 40 0 GIABHN COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000224901517 206031300 /nfs/dbraw/zinc/03/13/00/206031300.db2.gz BWKKLAYKTFBJSC-FUHWJXTLSA-N 0 3 386.923 4.438 40 0 GIABHN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225734332 206070981 /nfs/dbraw/zinc/07/09/81/206070981.db2.gz QXLYTQIIYLAZIN-QFIPXVFZSA-N 0 3 376.541 4.331 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 ZINC000225755831 206072797 /nfs/dbraw/zinc/07/27/97/206072797.db2.gz UREXPVQGTCMOHC-UHFFFAOYSA-N 0 3 394.515 4.056 40 0 GIABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000225932292 206086248 /nfs/dbraw/zinc/08/62/48/206086248.db2.gz ZZZKTLZRJHFYBZ-UHFFFAOYSA-N 0 3 387.911 4.126 40 0 GIABHN CN1C(=O)CCCC[C@]12CN(CCOc1ccc(F)cc1)C[C@H]2c1ccccc1 ZINC000257218470 206161097 /nfs/dbraw/zinc/16/10/97/206161097.db2.gz DDGJCPALOUEDRW-LADGPHEKSA-N 0 3 396.506 4.075 40 0 GIABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccccc3Cl)no1)C2 ZINC000257278240 206171512 /nfs/dbraw/zinc/17/15/12/206171512.db2.gz OBKRLFIFNUUPTF-KZCJGOGDSA-N 0 3 385.895 4.082 40 0 GIABHN COc1cc(C)ccc1CN1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257288763 206173142 /nfs/dbraw/zinc/17/31/42/206173142.db2.gz PVNKFAZVOCSGGY-UHFFFAOYSA-N 0 3 389.503 4.312 40 0 GIABHN COc1cc(C)ccc1CN1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257287745 206173410 /nfs/dbraw/zinc/17/34/10/206173410.db2.gz PRIBYCZFXXYION-GOSISDBHSA-N 0 3 389.503 4.312 40 0 GIABHN Cc1nn(C)cc1CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257292017 206174686 /nfs/dbraw/zinc/17/46/86/206174686.db2.gz QJPVGXXYMAHMKA-UHFFFAOYSA-N 0 3 390.535 4.259 40 0 GIABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccccn3)C2)n1 ZINC000257301162 206174762 /nfs/dbraw/zinc/17/47/62/206174762.db2.gz RXFVITPOGCNDLF-MRXNPFEDSA-N 0 3 376.435 4.297 40 0 GIABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCN(Cc3ccc4ccccc4n3)C2)ncn1 ZINC000257242490 206163915 /nfs/dbraw/zinc/16/39/15/206163915.db2.gz ICTNMLBAVFNKJU-SFHVURJKSA-N 0 3 399.498 4.361 40 0 GIABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NC3(C)CCC3)N[C@H]2c2cccc(F)c2)n1 ZINC000257238605 206165071 /nfs/dbraw/zinc/16/50/71/206165071.db2.gz HLUHITXSMZTSBF-HOJAQTOUSA-N 0 3 398.526 4.023 40 0 GIABHN Cc1ccsc1CN1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138538 206204960 /nfs/dbraw/zinc/20/49/60/206204960.db2.gz SAEPEBHZLZEPOC-PMACEKPBSA-N 0 3 395.503 4.079 40 0 GIABHN c1csc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124102 206196405 /nfs/dbraw/zinc/19/64/05/206196405.db2.gz BGDWHBPUAREEIB-SFHVURJKSA-N 0 3 375.501 4.232 40 0 GIABHN Cc1cc2nc(C3CCN(Cc4ccccc4C(F)(F)F)CC3)cc(N)n2n1 ZINC000012121505 221154025 /nfs/dbraw/zinc/15/40/25/221154025.db2.gz JXKJSXFEPRCOLS-UHFFFAOYSA-N 0 3 389.425 4.018 40 0 GIABHN O=C(c1ccc(Br)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408606496 534692272 /nfs/dbraw/zinc/69/22/72/534692272.db2.gz IDVYAFIRTKSLLG-UHFFFAOYSA-N 0 3 399.332 4.112 40 0 GIABHN O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000003841908 560190273 /nfs/dbraw/zinc/19/02/73/560190273.db2.gz LLMVFXHUTKEGJW-FXAWDEMLSA-N 0 3 397.478 4.276 40 0 biogenic,in-vitro GIABHN Cc1cnc(Nc2cccc([C@@H]3CCCN(Cc4cn(C)nc4C)C3)n2)s1 ZINC000585262597 570230730 /nfs/dbraw/zinc/23/07/30/570230730.db2.gz HJNFRZPKPLNCTC-MRXNPFEDSA-N 0 3 382.537 4.012 40 0 GIABHN COC1(COc2ccc(C)cc2C)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000585270779 570239327 /nfs/dbraw/zinc/23/93/27/570239327.db2.gz QMOLHWJMAOFKSK-UHFFFAOYSA-N 0 3 396.531 4.322 40 0 GIABHN O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000585288659 570259007 /nfs/dbraw/zinc/25/90/07/570259007.db2.gz HAVAJGJEVUCFBA-IPMKNSEASA-N 0 3 383.385 4.295 40 0 GIABHN O=C(OCCN1CCCCCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001646403 570266767 /nfs/dbraw/zinc/26/67/67/570266767.db2.gz CLCWREDHZPFCFN-UHFFFAOYSA-N 0 3 381.516 4.122 40 0 GIABHN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933133 570322410 /nfs/dbraw/zinc/32/24/10/570322410.db2.gz RHSZMCNAFRXVCS-APWZRJJASA-N 0 3 386.923 4.438 40 0 GIABHN COC(=O)c1cn(C(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc12 ZINC000222602568 570416471 /nfs/dbraw/zinc/41/64/71/570416471.db2.gz AETIXVMNXWANPA-UHFFFAOYSA-N 0 3 376.456 4.102 40 0 GIABHN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000223076357 570441587 /nfs/dbraw/zinc/44/15/87/570441587.db2.gz SIYGUEROEZVEMY-GOSISDBHSA-N 0 3 396.531 4.102 40 0 GIABHN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000030943303 570501473 /nfs/dbraw/zinc/50/14/73/570501473.db2.gz WDBAPNMCEWDVTE-OAQYLSRUSA-N 0 3 394.515 4.494 40 0 GIABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2Br)CC1 ZINC000100809400 570711222 /nfs/dbraw/zinc/71/12/22/570711222.db2.gz MJVMWLICSMXTGU-GASCZTMLSA-N 0 3 383.330 4.375 40 0 GIABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013613672 570762940 /nfs/dbraw/zinc/76/29/40/570762940.db2.gz ONCQWUVHKKALEN-OAHLLOKOSA-N 0 3 393.380 4.067 40 0 GIABHN CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000257218860 570889469 /nfs/dbraw/zinc/88/94/69/570889469.db2.gz DEPWMDAOCPZFAD-DNVFCKCGSA-N 0 3 395.547 4.319 40 0 GIABHN C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585103579 570928967 /nfs/dbraw/zinc/92/89/67/570928967.db2.gz DMRCQCJPAVDZMB-REHUZNOOSA-N 0 3 378.516 4.060 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)s1 ZINC000585103415 570932081 /nfs/dbraw/zinc/93/20/81/570932081.db2.gz BFWVUTTWHDNUOE-FQEVSTJZSA-N 0 3 386.561 4.430 40 0 GIABHN Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]32)o1 ZINC000585109822 570938584 /nfs/dbraw/zinc/93/85/84/570938584.db2.gz XVCFHQTZEDVCTN-QNWVGRARSA-N 0 3 390.458 4.427 40 0 GIABHN CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019086092 570956641 /nfs/dbraw/zinc/95/66/41/570956641.db2.gz GGMKVFNEKGSMRS-NJDAHSKKSA-N 0 3 386.536 4.360 40 0 GIABHN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccccc2)Cc2ccc(F)cc2)on1 ZINC000019120631 570957011 /nfs/dbraw/zinc/95/70/11/570957011.db2.gz VFEVDVMMYLJFFT-NFBKMPQASA-N 0 3 380.463 4.382 40 0 GIABHN O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293881 570973130 /nfs/dbraw/zinc/97/31/30/570973130.db2.gz SAXQNNUCRAOITC-ACRUOGEOSA-N 0 3 384.520 4.114 40 0 GIABHN O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334341 570976125 /nfs/dbraw/zinc/97/61/25/570976125.db2.gz GKMONXHQIGUUOH-ACRUOGEOSA-N 0 3 384.520 4.114 40 0 GIABHN COC(=O)Cn1cc(CNC2(c3ccc(OC)cc3)CCCC2)c2ccccc21 ZINC000019553810 571002446 /nfs/dbraw/zinc/00/24/46/571002446.db2.gz HNQSVWZQNLCZHL-UHFFFAOYSA-N 0 3 392.499 4.382 40 0 GIABHN COc1cc(C)c(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc1C ZINC000019567283 571008641 /nfs/dbraw/zinc/00/86/41/571008641.db2.gz SXUNRAHJSZQING-UHFFFAOYSA-N 0 3 378.476 4.137 40 0 GIABHN Cc1cc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1 ZINC000019567841 571008870 /nfs/dbraw/zinc/00/88/70/571008870.db2.gz BWPXATQUORDRHG-SFHVURJKSA-N 0 3 399.478 4.401 40 0 GIABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3Cc2c(C)nn(C(C)C)c2C)cc1 ZINC000019577434 571012377 /nfs/dbraw/zinc/01/23/77/571012377.db2.gz PKPJQOKMKHPCAR-DETIRCLXSA-N 0 3 383.536 4.104 40 0 GIABHN C[C@@H](C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCCC1 ZINC000019687351 571028679 /nfs/dbraw/zinc/02/86/79/571028679.db2.gz LOWKKUBADCNIAW-SFHVURJKSA-N 0 3 395.522 4.002 40 0 GIABHN C[C@H](Nc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1)c1ccccc1 ZINC000019717552 571040149 /nfs/dbraw/zinc/04/01/49/571040149.db2.gz KQEAZZPGSCUFBL-KRWDZBQOSA-N 0 3 389.503 4.130 40 0 GIABHN Cc1cccc(NC(=O)c2ccc3ccc(N4CCN(CC5CC5)CC4)n3c2)c1 ZINC000096062768 571098589 /nfs/dbraw/zinc/09/85/89/571098589.db2.gz JJXCTNFKZDSHCE-UHFFFAOYSA-N 0 3 388.515 4.032 40 0 GIABHN Cc1nc([C@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765269 818605019 /nfs/dbraw/zinc/60/50/19/818605019.db2.gz XEEBKBHXGKRTBX-FQEVSTJZSA-N 0 3 386.499 4.417 40 0 GIABHN [NH3+][C@@H](CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000005080810 204109759 /nfs/dbraw/zinc/10/97/59/204109759.db2.gz FBRZWQGBQSPUMV-QHCPKHFHSA-N 0 3 388.511 4.150 40 0 GIABHN Clc1ccc2[nH]c(C3CCN(C[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315403 204168323 /nfs/dbraw/zinc/16/83/23/204168323.db2.gz OXKSJVGFWJXBIK-INIZCTEOSA-N 0 3 383.879 4.236 40 0 GIABHN COc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000035288582 204145928 /nfs/dbraw/zinc/14/59/28/204145928.db2.gz OYNIKFUSOVXHLH-IHWFROFDSA-N 0 3 383.467 4.151 40 0 GIABHN Cc1ccsc1CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H](C)O ZINC000012116724 204372212 /nfs/dbraw/zinc/37/22/12/204372212.db2.gz XTJCWRKROHBKBG-AWEZNQCLSA-N 0 3 375.925 4.483 40 0 GIABHN O=c1c(CN(CCCn2ccnc2)C[C@@H]2CC=CCC2)coc2ccccc12 ZINC000036740221 205021893 /nfs/dbraw/zinc/02/18/93/205021893.db2.gz WJYWOPRCOMXPEA-LJQANCHMSA-N 0 3 377.488 4.238 40 0 GIABHN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccc(-n2cccn2)cc1 ZINC000043277862 205083338 /nfs/dbraw/zinc/08/33/38/205083338.db2.gz SKINTYQHIPRNHZ-UHFFFAOYSA-N 0 3 389.478 4.300 40 0 GIABHN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044932203 205091707 /nfs/dbraw/zinc/09/17/07/205091707.db2.gz MUZWYZKSDJSWSA-FQEVSTJZSA-N 0 3 384.495 4.141 40 0 GIABHN Cn1cc(CN2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000072349986 205330278 /nfs/dbraw/zinc/33/02/78/205330278.db2.gz XBCOKMUKRJQMRP-IBGZPJMESA-N 0 3 380.923 4.439 40 0 GIABHN Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072350394 205330972 /nfs/dbraw/zinc/33/09/72/205330972.db2.gz TUWJYKAIVOTRIN-QFIPXVFZSA-N 0 3 391.559 4.029 40 0 GIABHN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000072354858 205331969 /nfs/dbraw/zinc/33/19/69/205331969.db2.gz FEGCIVIWWWSNLG-FQEVSTJZSA-N 0 3 396.441 4.220 40 0 GIABHN COc1ccc([C@@H](CNc2cc(-c3cc(C(C)C)[nH]n3)nc(C)n2)N(C)C)cc1 ZINC000072373217 205338540 /nfs/dbraw/zinc/33/85/40/205338540.db2.gz KAPGOMJPQIOIIE-OAQYLSRUSA-N 0 3 394.523 4.022 40 0 GIABHN CCc1nccn1-c1cccc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000072379228 205340565 /nfs/dbraw/zinc/34/05/65/205340565.db2.gz SWWYWEPPNYBDDV-SFHVURJKSA-N 0 3 394.494 4.227 40 0 GIABHN COc1ccc(C(C)(C)C)cc1CN1C[C@H]2[C@H](CC[C@]2(O)c2ncccc2C)C1 ZINC000072395306 205342807 /nfs/dbraw/zinc/34/28/07/205342807.db2.gz LPCSOXLAHLLKQS-DHTSOJEISA-N 0 3 394.559 4.426 40 0 GIABHN CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000223793039 206006189 /nfs/dbraw/zinc/00/61/89/206006189.db2.gz WKOJCKBVJPXXGF-UHFFFAOYSA-N 0 3 380.532 4.217 40 0 GIABHN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000223759255 206006250 /nfs/dbraw/zinc/00/62/50/206006250.db2.gz BYFNTKTYHLYLDS-SFHVURJKSA-N 0 3 396.531 4.102 40 0 GIABHN CCc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000224331882 206020085 /nfs/dbraw/zinc/02/00/85/206020085.db2.gz NCCLIGQSJSUWDF-UHFFFAOYSA-N 0 3 380.532 4.290 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(C)cc3C)CC2)cc1 ZINC000224531484 206022749 /nfs/dbraw/zinc/02/27/49/206022749.db2.gz XHDYKFJVSVZARG-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840717 206028609 /nfs/dbraw/zinc/02/86/09/206028609.db2.gz FTZBNSCPXSFGRJ-OAQYLSRUSA-N 0 3 384.495 4.285 40 0 GIABHN CC1CCN(CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000225589873 206059199 /nfs/dbraw/zinc/05/91/99/206059199.db2.gz ANTGCBKRFLYFCQ-UHFFFAOYSA-N 0 3 379.715 4.106 40 0 GIABHN CO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225635407 206062350 /nfs/dbraw/zinc/06/23/50/206062350.db2.gz CBQJPURPEFSDTG-CVDCTZTESA-N 0 3 388.552 4.331 40 0 GIABHN CC(C)Oc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225743902 206072973 /nfs/dbraw/zinc/07/29/73/206072973.db2.gz AXTUXACIFLGUSE-UHFFFAOYSA-N 0 3 383.561 4.209 40 0 GIABHN Cc1ccc(C)c(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225771859 206073806 /nfs/dbraw/zinc/07/38/06/206073806.db2.gz FNNXILZUMLDHKE-UHFFFAOYSA-N 0 3 383.561 4.263 40 0 GIABHN CCOc1ccccc1NC(=S)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000225772157 206074460 /nfs/dbraw/zinc/07/44/60/206074460.db2.gz MLVYBAWSJNKVIM-UHFFFAOYSA-N 0 3 399.560 4.045 40 0 GIABHN CCn1cc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)c(C)n1 ZINC000257286249 206172704 /nfs/dbraw/zinc/17/27/04/206172704.db2.gz PKWYLYZFKKARHC-UHFFFAOYSA-N 0 3 376.508 4.125 40 0 GIABHN COc1cc(C)ccc1CN1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257287746 206173188 /nfs/dbraw/zinc/17/31/88/206173188.db2.gz PRIBYCZFXXYION-SFHVURJKSA-N 0 3 389.503 4.312 40 0 GIABHN CC(C)Oc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(C)C3)ccn2)c1 ZINC000257306321 206176664 /nfs/dbraw/zinc/17/66/64/206176664.db2.gz STUQPOSWGLWSHB-IBGZPJMESA-N 0 3 391.519 4.290 40 0 GIABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257244842 206166410 /nfs/dbraw/zinc/16/64/10/206166410.db2.gz INAQTMPSXWYQFB-GOSISDBHSA-N 0 3 387.487 4.170 40 0 GIABHN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257259283 206167964 /nfs/dbraw/zinc/16/79/64/206167964.db2.gz KXQLNWKFKGJCFI-AVRDEDQJSA-N 0 3 383.561 4.131 40 0 GIABHN Cc1c(CN2CCC(c3cc(Nc4cccc(C)n4)cc(C)n3)CC2)cnn1C ZINC000257256934 206168731 /nfs/dbraw/zinc/16/87/31/206168731.db2.gz KNLOVSWSTZTTMI-UHFFFAOYSA-N 0 3 390.535 4.259 40 0 GIABHN Cc1nc(Nc2cccc(C3CCN(Cc4cn(C)nc4C)CC3)n2)sc1C ZINC000257322314 206180661 /nfs/dbraw/zinc/18/06/61/206180661.db2.gz WFLHUBWHZZIDNG-UHFFFAOYSA-N 0 3 396.564 4.320 40 0 GIABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1OC ZINC000306129411 206199351 /nfs/dbraw/zinc/19/93/51/206199351.db2.gz ICFBBGXGEFOIKR-GOSISDBHSA-N 0 3 392.503 4.003 40 0 GIABHN Cc1cccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c1 ZINC000306128178 206199575 /nfs/dbraw/zinc/19/95/75/206199575.db2.gz GTHFBAYOYFTYEF-QHCPKHFHSA-N 0 3 377.463 4.173 40 0 GIABHN COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)nc(C)n1)CC2 ZINC000244530600 136192563 /nfs/dbraw/zinc/19/25/63/136192563.db2.gz ZSVIMMXJAAFVLC-UHFFFAOYSA-N 0 3 382.508 4.110 40 0 GIABHN CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289942 560030981 /nfs/dbraw/zinc/03/09/81/560030981.db2.gz PDLXMQKBCOTEFF-AWRGLXIESA-N 0 3 386.580 4.296 40 0 biogenic,in-vitro GIABHN Cc1nc(NC2CCCC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328973158 570210174 /nfs/dbraw/zinc/21/01/74/570210174.db2.gz DZNRZAWZRJXXMY-UHFFFAOYSA-N 0 3 387.325 4.465 40 0 GIABHN Cc1cc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)ccc1Cl ZINC000329044787 570214921 /nfs/dbraw/zinc/21/49/21/570214921.db2.gz SXXAARPKWHYSSP-UHFFFAOYSA-N 0 3 381.911 4.244 40 0 GIABHN O=C(CCc1cccnc1)N1CCC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096214586 570219476 /nfs/dbraw/zinc/21/94/76/570219476.db2.gz IHCMLMJMMFJIGW-QHCPKHFHSA-N 0 3 397.950 4.325 40 0 GIABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)c1 ZINC000096215702 570219619 /nfs/dbraw/zinc/21/96/19/570219619.db2.gz PHPWCYZUMYYRTL-QHCPKHFHSA-N 0 3 385.552 4.025 40 0 GIABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288240 570258980 /nfs/dbraw/zinc/25/89/80/570258980.db2.gz ZBAPCSCHHPKZJX-SFGWALBWSA-N 0 3 395.971 4.387 40 0 GIABHN CC[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000001664584 570266865 /nfs/dbraw/zinc/26/68/65/570266865.db2.gz SCZBGHIZLUMOQC-HXUWFJFHSA-N 0 3 383.923 4.220 40 0 GIABHN C[C@H](NCCc1ccc(O)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000021985151 570300809 /nfs/dbraw/zinc/30/08/09/570300809.db2.gz QKVNQEPGFVLFCE-SFHVURJKSA-N 0 3 375.468 4.375 40 0 GIABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000222758955 570424501 /nfs/dbraw/zinc/42/45/01/570424501.db2.gz TUTCODGJKMWKMQ-GOSISDBHSA-N 0 3 396.597 4.060 40 0 GIABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000222759022 570424510 /nfs/dbraw/zinc/42/45/10/570424510.db2.gz TUTCODGJKMWKMQ-SFHVURJKSA-N 0 3 396.597 4.060 40 0 GIABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000101178825 570433083 /nfs/dbraw/zinc/43/30/83/570433083.db2.gz GKRZWPGGLFLQQA-FSSWDIPSSA-N 0 3 384.435 4.046 40 0 GIABHN CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039772438 570446581 /nfs/dbraw/zinc/44/65/81/570446581.db2.gz OEDLVPCZAMLSSA-UHFFFAOYSA-N 0 3 384.495 4.141 40 0 GIABHN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000030943489 570501535 /nfs/dbraw/zinc/50/15/35/570501535.db2.gz PYLHRUMKXGJDGR-KRWDZBQOSA-N 0 3 385.895 4.149 40 0 GIABHN OC1(c2ccc(F)cc2)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000012363613 570646002 /nfs/dbraw/zinc/64/60/02/570646002.db2.gz ORSAZAIEMJDPAB-UHFFFAOYSA-N 0 3 392.474 4.283 40 0 GIABHN COc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005625625 570665399 /nfs/dbraw/zinc/66/53/99/570665399.db2.gz BYTVTODOCFSATD-UHFFFAOYSA-N 0 3 398.894 4.043 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)s1 ZINC000585104348 570929260 /nfs/dbraw/zinc/92/92/60/570929260.db2.gz HPCMLYWTKXZLSF-FQEVSTJZSA-N 0 3 386.561 4.430 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)s1 ZINC000585103424 570932213 /nfs/dbraw/zinc/93/22/13/570932213.db2.gz BFWVUTTWHDNUOE-HXUWFJFHSA-N 0 3 386.561 4.430 40 0 GIABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 ZINC000585104796 570933672 /nfs/dbraw/zinc/93/36/72/570933672.db2.gz UCTLJIUXJAMCEK-OFVILXPXSA-N 0 3 392.543 4.116 40 0 GIABHN Cc1cccc(CO[C@@H]2CSC3(CN(Cc4cccc5[nH]ccc54)C3)C2)n1 ZINC000585105314 570934499 /nfs/dbraw/zinc/93/44/99/570934499.db2.gz SVQDYYZPMLKHBD-IBGZPJMESA-N 0 3 379.529 4.148 40 0 GIABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081904 570956245 /nfs/dbraw/zinc/95/62/45/570956245.db2.gz XGORMNGAWILSHX-SIKLNZKXSA-N 0 3 395.547 4.206 40 0 GIABHN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cccnc4)C3)cc2n1 ZINC000019522236 570994951 /nfs/dbraw/zinc/99/49/51/570994951.db2.gz IHWPQZSOHPOGDN-HNNXBMFYSA-N 0 3 389.425 4.085 40 0 GIABHN Cc1nc(C)c(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)s1 ZINC000019560134 571005458 /nfs/dbraw/zinc/00/54/58/571005458.db2.gz ZLOOAEATLFGCDU-VAMGGRTRSA-N 0 3 383.561 4.243 40 0 GIABHN COc1cc(C)c(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019566941 571008269 /nfs/dbraw/zinc/00/82/69/571008269.db2.gz OCPJBNNQDBDBKP-JOCHJYFZSA-N 0 3 394.563 4.126 40 0 GIABHN COc1cc(C)c(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1C ZINC000019567280 571008561 /nfs/dbraw/zinc/00/85/61/571008561.db2.gz KWJBBNKXUOUNIF-UHFFFAOYSA-N 0 3 378.476 4.137 40 0 GIABHN CN(C)c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)nc(-c2cccnc2)n1 ZINC000019584433 571015164 /nfs/dbraw/zinc/01/51/64/571015164.db2.gz PHXRCPBQTGIDRY-LJQANCHMSA-N 0 3 391.494 4.123 40 0 GIABHN CN(C)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)nc(-c2cccnc2)n1 ZINC000019584435 571015215 /nfs/dbraw/zinc/01/52/15/571015215.db2.gz PHXRCPBQTGIDRY-IBGZPJMESA-N 0 3 391.494 4.123 40 0 GIABHN CN(C)c1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2ccncc2)n1 ZINC000019584612 571015281 /nfs/dbraw/zinc/01/52/81/571015281.db2.gz BTLSUACIHRIKJL-UHFFFAOYSA-N 0 3 391.494 4.123 40 0 GIABHN CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cc(C2CC2)on1 ZINC000019589162 571016242 /nfs/dbraw/zinc/01/62/42/571016242.db2.gz ZRWDUPKFUQKPJY-SYYKKAFVSA-N 0 3 379.504 4.035 40 0 GIABHN CNc1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019592206 571019148 /nfs/dbraw/zinc/01/91/48/571019148.db2.gz INMPBUZTAKQRAO-SFHVURJKSA-N 0 3 377.467 4.099 40 0 GIABHN C[C@H](C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCCC1 ZINC000019687349 571028740 /nfs/dbraw/zinc/02/87/40/571028740.db2.gz LOWKKUBADCNIAW-GOSISDBHSA-N 0 3 395.522 4.002 40 0 GIABHN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(C(C)C)CC4)nc32)cc1 ZINC000019703778 571031539 /nfs/dbraw/zinc/03/15/39/571031539.db2.gz VPZMMAPZAHXHLC-UHFFFAOYSA-N 0 3 392.547 4.161 40 0 GIABHN CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccs1)CC2 ZINC000096036977 571096497 /nfs/dbraw/zinc/09/64/97/571096497.db2.gz RJQWRXMSBARPLC-UHFFFAOYSA-N 0 3 378.545 4.048 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052766 571097610 /nfs/dbraw/zinc/09/76/10/571097610.db2.gz GAMHAIOOURTCBY-FQEVSTJZSA-N 0 3 389.543 4.162 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NC1CC1 ZINC000096052974 571097631 /nfs/dbraw/zinc/09/76/31/571097631.db2.gz XFXHJHKDGXEZGZ-SFHVURJKSA-N 0 3 380.557 4.438 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc2O3)s1 ZINC000096053155 571098089 /nfs/dbraw/zinc/09/80/89/571098089.db2.gz LFFIFESIRNWHAP-SFHVURJKSA-N 0 3 398.572 4.436 40 0 GIABHN CCS(=O)(=O)N1CCC[C@@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071277 571098468 /nfs/dbraw/zinc/09/84/68/571098468.db2.gz MNSZGSLDLGOUET-QHCPKHFHSA-N 0 3 398.572 4.134 40 0 GIABHN Cc1ncc(CN2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)s1 ZINC000019704263 818600965 /nfs/dbraw/zinc/60/09/65/818600965.db2.gz IYLZDSPPHZGMSQ-CQSZACIVSA-N 0 3 388.924 4.397 40 0 GIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000004889079 204086460 /nfs/dbraw/zinc/08/64/60/204086460.db2.gz HQCAZEOSSBVLQO-VJBWXMMDSA-N 0 3 398.462 4.300 40 0 GIABHN CCC(=O)O[C@@]1(c2ccccc2)CCN(CCC(=O)c2ccccc2)C[C@@H]1C ZINC000005046338 204107709 /nfs/dbraw/zinc/10/77/09/204107709.db2.gz MZORJBGOVRTVQW-CYFREDJKSA-N 0 3 379.500 4.450 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000012017408 204367053 /nfs/dbraw/zinc/36/70/53/204367053.db2.gz QKTVQSXOOWUXFK-UFYCRDLUSA-N 0 3 390.464 4.108 40 0 GIABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293446 204388927 /nfs/dbraw/zinc/38/89/27/204388927.db2.gz XSFOFHBZXMJTLD-UXHICEINSA-N 0 3 387.907 4.033 40 0 GIABHN O[C@@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292443 204389192 /nfs/dbraw/zinc/38/91/92/204389192.db2.gz XLBULTZRKIGZDU-SFHVURJKSA-N 0 3 399.840 4.376 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000012293072 204389414 /nfs/dbraw/zinc/38/94/14/204389414.db2.gz CCOUWNMQQZSPSB-UHFFFAOYSA-N 0 3 388.511 4.453 40 0 GIABHN CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)CC1 ZINC000012291314 204389931 /nfs/dbraw/zinc/38/99/31/204389931.db2.gz JSLHANLLQDHECK-HSZRJFAPSA-N 0 3 396.506 4.184 40 0 GIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccccc3c2C)CC1 ZINC000012328503 204399047 /nfs/dbraw/zinc/39/90/47/204399047.db2.gz HXXGAMNEUGGMIF-UHFFFAOYSA-N 0 3 379.479 4.243 40 0 GIABHN O=C(NCCSCc1ccco1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852043 205039999 /nfs/dbraw/zinc/03/99/99/205039999.db2.gz BAIUXPXKCISWLK-QGZVFWFLSA-N 0 3 392.952 4.195 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccc(Cl)cc1 ZINC000036741268 205021910 /nfs/dbraw/zinc/02/19/10/205021910.db2.gz DNIHVEYSLOPJKH-UHFFFAOYSA-N 0 3 378.969 4.434 40 0 GIABHN COc1ccc(CN(Cc2cccc3ncccc23)C[C@H]2CCCO2)cc1OC ZINC000057811190 205160864 /nfs/dbraw/zinc/16/08/64/205160864.db2.gz XCTXSYHOHQJMPH-HXUWFJFHSA-N 0 3 392.499 4.433 40 0 GIABHN Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(Cc3ccccc3)C2)on1 ZINC000072342823 205328974 /nfs/dbraw/zinc/32/89/74/205328974.db2.gz SPNAPAYKTSFRQG-LJQANCHMSA-N 0 3 387.487 4.381 40 0 GIABHN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000072345898 205329803 /nfs/dbraw/zinc/32/98/03/205329803.db2.gz ZUTFRVAYTUMVFG-GOSISDBHSA-N 0 3 392.478 4.253 40 0 GIABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3ccc(F)cc3)C2)[nH]n1 ZINC000072371210 205336557 /nfs/dbraw/zinc/33/65/57/205336557.db2.gz COINSKNOAXSZFE-SFHVURJKSA-N 0 3 395.478 4.168 40 0 GIABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 ZINC000072371210 205336559 /nfs/dbraw/zinc/33/65/59/205336559.db2.gz COINSKNOAXSZFE-SFHVURJKSA-N 0 3 395.478 4.168 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398563 205342851 /nfs/dbraw/zinc/34/28/51/205342851.db2.gz PJTRSEHMOFUPPA-DMJRHOSBSA-N 0 3 389.543 4.464 40 0 GIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398575 205344314 /nfs/dbraw/zinc/34/43/14/205344314.db2.gz PLQGSVHFEFTNAQ-UGKGYDQZSA-N 0 3 395.547 4.206 40 0 GIABHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627689 205570793 /nfs/dbraw/zinc/57/07/93/205570793.db2.gz AKNDRVPOKBLPFB-QGZVFWFLSA-N 0 3 394.412 4.373 40 0 GIABHN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224828161 206029083 /nfs/dbraw/zinc/02/90/83/206029083.db2.gz IVUASWVJHRYUBF-QHCPKHFHSA-N 0 3 396.531 4.155 40 0 GIABHN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224828116 206029898 /nfs/dbraw/zinc/02/98/98/206029898.db2.gz IVUASWVJHRYUBF-HSZRJFAPSA-N 0 3 396.531 4.155 40 0 GIABHN CCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCC1 ZINC000225709105 206068696 /nfs/dbraw/zinc/06/86/96/206068696.db2.gz AWWISVDLTAZRAH-UHFFFAOYSA-N 0 3 388.552 4.475 40 0 GIABHN O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCc2cc(Br)ccc21 ZINC000225901019 206083657 /nfs/dbraw/zinc/08/36/57/206083657.db2.gz CSVHLTMVDRATQG-SFHVURJKSA-N 0 3 399.332 4.250 40 0 GIABHN CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(Cc4ccncc4)CC3)C[C@@H]21 ZINC000257272224 206170231 /nfs/dbraw/zinc/17/02/31/206170231.db2.gz NBNHXKDAYVBXIZ-RBBKRZOGSA-N 0 3 394.515 4.318 40 0 GIABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1n[nH]c2c1CCCCCC2 ZINC000257339442 206181729 /nfs/dbraw/zinc/18/17/29/206181729.db2.gz ZBTFSLDQOGUPDU-UHFFFAOYSA-N 0 3 396.535 4.186 40 0 GIABHN COc1ccc(CN2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)cc1 ZINC000306130800 206200550 /nfs/dbraw/zinc/20/05/50/206200550.db2.gz JPUXIVKENIKUDE-UHFFFAOYSA-N 0 3 399.498 4.180 40 0 GIABHN c1csc(-c2ccc3nc([C@@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306132826 206200847 /nfs/dbraw/zinc/20/08/47/206200847.db2.gz LTGXGRHPMUYJCO-GOSISDBHSA-N 0 3 375.501 4.232 40 0 GIABHN O=C(NCc1ccc(Cl)cc1)c1c(F)cccc1NCCN1CCCCC1 ZINC000066089365 206225882 /nfs/dbraw/zinc/22/58/82/206225882.db2.gz YOOKYPLWKCGGNI-UHFFFAOYSA-N 0 3 389.902 4.307 40 0 GIABHN c1csc(CN2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)c1 ZINC000096242542 136185618 /nfs/dbraw/zinc/18/56/18/136185618.db2.gz MXWYBKBGRBFLCC-UHFFFAOYSA-N 0 3 376.529 4.092 40 0 GIABHN Cc1ccc(CN2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)o1 ZINC000096242624 136185621 /nfs/dbraw/zinc/18/56/21/136185621.db2.gz JMDATRKRNMMIBI-UHFFFAOYSA-N 0 3 392.478 4.071 40 0 GIABHN CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289735 560031746 /nfs/dbraw/zinc/03/17/46/560031746.db2.gz CYXJLNNHHSVJMB-IRFCIJBXSA-N 0 3 380.598 4.213 40 0 biogenic,in-vitro GIABHN COc1ccc(-c2cc(C(=O)Nc3ccccc3CN3CCCC3)on2)cc1 ZINC000019718913 570210175 /nfs/dbraw/zinc/21/01/75/570210175.db2.gz QKSIDFIXEBEWSU-UHFFFAOYSA-N 0 3 377.444 4.198 40 0 GIABHN CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C)n1 ZINC000328982103 570210432 /nfs/dbraw/zinc/21/04/32/570210432.db2.gz GXZFGLFFZNIUKB-GFCCVEGCSA-N 0 3 380.414 4.457 40 0 GIABHN CN1CCn2c(-c3ccc(F)cc3)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096263354 570226539 /nfs/dbraw/zinc/22/65/39/570226539.db2.gz AMBVHJUMTHVBBR-UHFFFAOYSA-N 0 3 396.535 4.187 40 0 GIABHN CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585270117 570238858 /nfs/dbraw/zinc/23/88/58/570238858.db2.gz FRDJSOSDSNHGAV-XMMPIXPASA-N 0 3 396.531 4.058 40 0 GIABHN COc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020454852 570258822 /nfs/dbraw/zinc/25/88/22/570258822.db2.gz LEZPWIJPDGCPQB-UHFFFAOYSA-N 0 3 380.532 4.290 40 0 GIABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288063 570259046 /nfs/dbraw/zinc/25/90/46/570259046.db2.gz VHWZPWBOIKNBFL-DRSNIGMVSA-N 0 3 397.506 4.012 40 0 GIABHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000104566216 570303251 /nfs/dbraw/zinc/30/32/51/570303251.db2.gz GQJROMLNPRPFQP-UHFFFAOYSA-N 0 3 393.314 4.396 40 0 GIABHN CC(C)N1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216482 570317451 /nfs/dbraw/zinc/31/74/51/570317451.db2.gz MLJWHPLJPZLZBJ-LJQANCHMSA-N 0 3 388.556 4.074 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039753959 570447381 /nfs/dbraw/zinc/44/73/81/570447381.db2.gz YCKCOHKWUJNPGM-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039759599 570449999 /nfs/dbraw/zinc/44/99/99/570449999.db2.gz ASVPYMVCLOHEFM-UHFFFAOYSA-N 0 3 380.532 4.046 40 0 GIABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010332754 570569443 /nfs/dbraw/zinc/56/94/43/570569443.db2.gz RPAGWRLORHJHSX-QGZVFWFLSA-N 0 3 379.504 4.063 40 0 GIABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000101026375 570603373 /nfs/dbraw/zinc/60/33/73/570603373.db2.gz SYBDVGVMJKJPBQ-PUHATCMVSA-N 0 3 398.462 4.355 40 0 GIABHN CCCOc1ccccc1CN1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 ZINC000012187354 570621320 /nfs/dbraw/zinc/62/13/20/570621320.db2.gz SQMBKHCKSDZPFF-UHFFFAOYSA-N 0 3 393.491 4.003 40 0 GIABHN O=C1CCCN1C[C@H]1CCCN(CC2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000012364535 570646755 /nfs/dbraw/zinc/64/67/55/570646755.db2.gz VMKSBSDSFDTNRG-HNNXBMFYSA-N 0 3 381.347 4.359 40 0 GIABHN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010335332 570788290 /nfs/dbraw/zinc/78/82/90/570788290.db2.gz HAYYFTPAGAKUCN-UHFFFAOYSA-N 0 3 393.531 4.407 40 0 GIABHN CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000257218861 570889598 /nfs/dbraw/zinc/88/95/98/570889598.db2.gz DEPWMDAOCPZFAD-YDHSSHFGSA-N 0 3 395.547 4.319 40 0 GIABHN Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000257219848 570889949 /nfs/dbraw/zinc/88/99/49/570889949.db2.gz DILLVVLYHKUSGS-HFMPRLQTSA-N 0 3 379.548 4.158 40 0 GIABHN Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100629 570924879 /nfs/dbraw/zinc/92/48/79/570924879.db2.gz QRKHYNVNUOVAJS-OAQYLSRUSA-N 0 3 375.582 4.379 40 0 GIABHN Cc1nc(COCC[C@H]2CCOC23CCN(Cc2cccs2)CC3)cs1 ZINC000585105210 570934598 /nfs/dbraw/zinc/93/45/98/570934598.db2.gz QICZQIKGJJCURX-KRWDZBQOSA-N 0 3 392.590 4.491 40 0 GIABHN [NH3+][C@H](CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000016927035 570935331 /nfs/dbraw/zinc/93/53/31/570935331.db2.gz FBRZWQGBQSPUMV-HSZRJFAPSA-N 0 3 388.511 4.150 40 0 GIABHN CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)cc1Cl)CN2 ZINC000018189527 570951328 /nfs/dbraw/zinc/95/13/28/570951328.db2.gz CPDQUPLLEBTHKX-UHFFFAOYSA-N 0 3 380.235 4.085 40 0 GIABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019081871 570956023 /nfs/dbraw/zinc/95/60/23/570956023.db2.gz KRKFTHKVXUPRMG-NQIIRXRSSA-N 0 3 383.511 4.336 40 0 GIABHN CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019446660 570984589 /nfs/dbraw/zinc/98/45/89/570984589.db2.gz WXOUJDFYQJEDSB-CVDCTZTESA-N 0 3 383.511 4.336 40 0 GIABHN CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)on1 ZINC000019452958 570986267 /nfs/dbraw/zinc/98/62/67/570986267.db2.gz ZKYQRFJMNIFKQR-SYYKKAFVSA-N 0 3 381.520 4.281 40 0 GIABHN COc1ccc(CN2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)cc1 ZINC000019555302 571002913 /nfs/dbraw/zinc/00/29/13/571002913.db2.gz NWLDSYHNQMSGPQ-LADGPHEKSA-N 0 3 392.543 4.141 40 0 GIABHN Cc1nc(-c2cccnc2)sc1C(=O)N1CCCC[C@H]1CN1CCCCCC1 ZINC000019561086 571005442 /nfs/dbraw/zinc/00/54/42/571005442.db2.gz PFCJEUUINFJEST-IBGZPJMESA-N 0 3 398.576 4.384 40 0 GIABHN Cc1c2ccccc2oc1CN1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019566415 571008253 /nfs/dbraw/zinc/00/82/53/571008253.db2.gz VHFXTRYAANRENA-GBXCKJPGSA-N 0 3 389.499 4.165 40 0 GIABHN Cc1cc([C@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1 ZINC000019567844 571008594 /nfs/dbraw/zinc/00/85/94/571008594.db2.gz BWPXATQUORDRHG-GOSISDBHSA-N 0 3 399.478 4.401 40 0 GIABHN Cc1cc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)cs1 ZINC000019571595 571010243 /nfs/dbraw/zinc/01/02/43/571010243.db2.gz NNKJLQGFKRVALH-UHFFFAOYSA-N 0 3 384.545 4.334 40 0 GIABHN CN(C)c1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 ZINC000019584479 571015310 /nfs/dbraw/zinc/01/53/10/571015310.db2.gz YPYCXLRSTLEQIT-UHFFFAOYSA-N 0 3 391.494 4.123 40 0 GIABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000096053051 571097658 /nfs/dbraw/zinc/09/76/58/571097658.db2.gz VNGWBKKZMQIKHU-OAQYLSRUSA-N 0 3 391.559 4.361 40 0 GIABHN CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918296 821681095 /nfs/dbraw/zinc/68/10/95/821681095.db2.gz BFGXPLDWHHYHQE-GHTZIAJQSA-N 0 3 396.506 4.456 40 0 GIABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccccc2)Cc2cn(C)c3cccc1c23 ZINC000049171489 291135562 /nfs/dbraw/zinc/13/55/62/291135562.db2.gz OHSNQIUVJHEUBS-SFTDATJTSA-N 0 3 375.516 4.096 40 0 biogenic,in-vitro GIABHN CC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1 ZINC000035290338 204151319 /nfs/dbraw/zinc/15/13/19/204151319.db2.gz HHJWKCAQFZAZEO-YQQQUEKLSA-N 0 3 383.517 4.268 40 0 GIABHN Cc1cc(C)c2nc(Cl)c(CN(CCN(C)C)C(=O)c3ccco3)cc2c1 ZINC000035314222 204166764 /nfs/dbraw/zinc/16/67/64/204166764.db2.gz YNMXESDSVXPFNA-UHFFFAOYSA-N 0 3 385.895 4.302 40 0 GIABHN CCOP(=O)(OCC)[C@@H]1CCCN2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000005395554 204130250 /nfs/dbraw/zinc/13/02/50/204130250.db2.gz UEELLPKZJAUWGO-RTBURBONSA-N 0 3 383.425 4.032 40 0 GIABHN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000005676933 204145940 /nfs/dbraw/zinc/14/59/40/204145940.db2.gz NYQYXHSJVXWTDY-IBGZPJMESA-N 0 3 395.547 4.360 40 0 GIABHN Cc1nccc(-c2ccc(-c3noc(CN4C[C@@H]5CCCC[C@H]5C4)n3)cc2)n1 ZINC000012337173 204399657 /nfs/dbraw/zinc/39/96/57/204399657.db2.gz BKXCANRFTVQIGA-OALUTQOASA-N 0 3 375.476 4.124 40 0 GIABHN CC(C)(C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012293555 204388940 /nfs/dbraw/zinc/38/89/40/204388940.db2.gz LPIHUACXSTZTJA-YADHBBJMSA-N 0 3 395.543 4.368 40 0 GIABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293515 204389845 /nfs/dbraw/zinc/38/98/45/204389845.db2.gz ZHVDRMZGFHRTSL-PKTZIBPZSA-N 0 3 395.543 4.304 40 0 GIABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000038850232 205041300 /nfs/dbraw/zinc/04/13/00/205041300.db2.gz WDUOGECFOXORQP-HNNXBMFYSA-N 0 3 376.859 4.338 40 0 GIABHN Cc1ccccc1CN(CCCn1ccnc1)Cc1coc2ccccc2c1=O ZINC000036740156 205022319 /nfs/dbraw/zinc/02/23/19/205022319.db2.gz PGRNXEUTAGPUTK-UHFFFAOYSA-N 0 3 387.483 4.390 40 0 GIABHN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833946 205038763 /nfs/dbraw/zinc/03/87/63/205038763.db2.gz ODVDQLHYCXQKJQ-HNNXBMFYSA-N 0 3 391.284 4.439 40 0 GIABHN O=C(Nc1ccccc1Br)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834900 205038781 /nfs/dbraw/zinc/03/87/81/205038781.db2.gz BDRIZGWSHRWSIP-HNNXBMFYSA-N 0 3 391.284 4.439 40 0 GIABHN Cc1nc2sccn2c1CN(CCCn1ccnc1)Cc1ccccc1C ZINC000043277694 205081726 /nfs/dbraw/zinc/08/17/26/205081726.db2.gz CPYQUHHBXXDXBU-UHFFFAOYSA-N 0 3 379.533 4.302 40 0 GIABHN COc1cc2c(cc1CN(CCCn1ccnc1)Cc1ccccc1C)OCO2 ZINC000043277691 205082249 /nfs/dbraw/zinc/08/22/49/205082249.db2.gz UFPDTEHZHGFHEB-UHFFFAOYSA-N 0 3 393.487 4.021 40 0 GIABHN CCOc1ccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000044851427 205087826 /nfs/dbraw/zinc/08/78/26/205087826.db2.gz YVKSSQIRGCJWLH-UHFFFAOYSA-N 0 3 394.559 4.355 40 0 GIABHN CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2O1 ZINC000044918319 205091206 /nfs/dbraw/zinc/09/12/06/205091206.db2.gz OADQGKMRWGZJFF-NRFANRHFSA-N 0 3 378.516 4.317 40 0 GIABHN CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000044916126 205091652 /nfs/dbraw/zinc/09/16/52/205091652.db2.gz ZMWKMPZRFZKYKE-UHFFFAOYSA-N 0 3 394.559 4.435 40 0 GIABHN COc1ccc(CN(Cc2cccc3ncccc23)C[C@@H]2CCCO2)cc1OC ZINC000057811186 205161840 /nfs/dbraw/zinc/16/18/40/205161840.db2.gz XCTXSYHOHQJMPH-FQEVSTJZSA-N 0 3 392.499 4.433 40 0 GIABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCC2)cc1 ZINC000058811114 205178409 /nfs/dbraw/zinc/17/84/09/205178409.db2.gz PKBSPQUBFLYSBD-UHFFFAOYSA-N 0 3 382.504 4.086 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)c(C)n1 ZINC000072353361 205332190 /nfs/dbraw/zinc/33/21/90/205332190.db2.gz YAQXWWISDPGPTA-LJQANCHMSA-N 0 3 390.535 4.433 40 0 GIABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cnc(C)s1 ZINC000072370324 205336228 /nfs/dbraw/zinc/33/62/28/205336228.db2.gz FQQHTJTYIDVJPX-AWEZNQCLSA-N 0 3 385.558 4.233 40 0 GIABHN O=c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392700 205341265 /nfs/dbraw/zinc/34/12/65/205341265.db2.gz URIZAHULCKJENT-UHFFFAOYSA-N 0 3 380.879 4.277 40 0 GIABHN CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 ZINC000223338231 205997466 /nfs/dbraw/zinc/99/74/66/205997466.db2.gz BNASENYACDORKA-UHFFFAOYSA-N 0 3 376.551 4.277 40 0 GIABHN CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840765 206028930 /nfs/dbraw/zinc/02/89/30/206028930.db2.gz FTZBNSCPXSFGRJ-NRFANRHFSA-N 0 3 384.495 4.285 40 0 GIABHN O=C(CCc1ccc(Cl)c(Cl)c1)NCCCN1CCc2ccccc2C1 ZINC000225338285 206043350 /nfs/dbraw/zinc/04/33/50/206043350.db2.gz KRHUFQIXELOGTL-UHFFFAOYSA-N 0 3 391.342 4.491 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)Nc3nnc(SC(C)C)s3)CC2)cc1 ZINC000225359816 206043412 /nfs/dbraw/zinc/04/34/12/206043412.db2.gz RIXDVXKQYANZRA-UHFFFAOYSA-N 0 3 390.578 4.198 40 0 GIABHN CC(C)CSc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 ZINC000225493930 206052065 /nfs/dbraw/zinc/05/20/65/206052065.db2.gz MBYVBYFBKJPRDN-UHFFFAOYSA-N 0 3 390.578 4.137 40 0 GIABHN CC(C)Oc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000225743861 206072442 /nfs/dbraw/zinc/07/24/42/206072442.db2.gz PNRFVSLCYHUBDG-UHFFFAOYSA-N 0 3 383.561 4.209 40 0 GIABHN CCn1ncc(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)c1C ZINC000257225062 206162474 /nfs/dbraw/zinc/16/24/74/206162474.db2.gz FEQDLSBSVLHZLK-UHFFFAOYSA-N 0 3 390.535 4.433 40 0 GIABHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257332073 206179272 /nfs/dbraw/zinc/17/92/72/206179272.db2.gz XVQPOWQBYMHOPF-UWJYYQICSA-N 0 3 387.524 4.347 40 0 GIABHN Fc1ccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133818 206200508 /nfs/dbraw/zinc/20/05/08/206200508.db2.gz MXANRQJGKAVFFZ-FQEVSTJZSA-N 0 3 387.462 4.310 40 0 GIABHN Fc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306130644 206202136 /nfs/dbraw/zinc/20/21/36/206202136.db2.gz JMEMXGPPJPAQPT-QFIPXVFZSA-N 0 3 381.426 4.003 40 0 GIABHN Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](N)c2ccccc2)c(C)c1 ZINC000059796882 206213837 /nfs/dbraw/zinc/21/38/37/206213837.db2.gz NHQZWDCNEJJOGT-FCHUYYIVSA-N 0 3 394.540 4.331 40 0 GIABHN Clc1ccc(CN2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000096244346 570223654 /nfs/dbraw/zinc/22/36/54/570223654.db2.gz UJXWYXKGWQMVRU-HSZRJFAPSA-N 0 3 391.902 4.471 40 0 GIABHN Clc1ccc(CN2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000096244347 570223707 /nfs/dbraw/zinc/22/37/07/570223707.db2.gz UJXWYXKGWQMVRU-QHCPKHFHSA-N 0 3 391.902 4.471 40 0 GIABHN Cc1cnc(Nc2cccc([C@H]3CCCN(Cc4cnn(C)c4C)C3)n2)s1 ZINC000585262707 570230045 /nfs/dbraw/zinc/23/00/45/570230045.db2.gz VHGXAARSUVMMSL-INIZCTEOSA-N 0 3 382.537 4.012 40 0 GIABHN CCN(CC)CCN(C(=O)Cc1cccc2ccccc21)c1ccccc1N ZINC000001722346 570267654 /nfs/dbraw/zinc/26/76/54/570267654.db2.gz ADUSWTAKQAFGGV-UHFFFAOYSA-N 0 3 375.516 4.340 40 0 GIABHN CN1CCCC[C@@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 ZINC000022002223 570301546 /nfs/dbraw/zinc/30/15/46/570301546.db2.gz OEYDBWKMXFZENQ-GOSISDBHSA-N 0 3 381.907 4.298 40 0 GIABHN O=C(C[C@@H]1CCNC[C@@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938979 570398589 /nfs/dbraw/zinc/39/85/89/570398589.db2.gz PHAQBQSJYZAIJZ-HOCLYGCPSA-N 0 3 391.487 4.027 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCSc3ccc(C)cc3)CC2)cc1 ZINC000039765950 570446072 /nfs/dbraw/zinc/44/60/72/570446072.db2.gz DXCIEOONKZNQDA-UHFFFAOYSA-N 0 3 382.573 4.424 40 0 GIABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000223242647 570452400 /nfs/dbraw/zinc/45/24/00/570452400.db2.gz LBFDOQJIMSJJSD-VGOFRKELSA-N 0 3 380.507 4.404 40 0 GIABHN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000030943486 570501365 /nfs/dbraw/zinc/50/13/65/570501365.db2.gz PYLHRUMKXGJDGR-QGZVFWFLSA-N 0 3 385.895 4.149 40 0 GIABHN COc1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030946073 570501960 /nfs/dbraw/zinc/50/19/60/570501960.db2.gz UIXVSMGUANHGQP-LJQANCHMSA-N 0 3 386.923 4.219 40 0 GIABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019081875 570956218 /nfs/dbraw/zinc/95/62/18/570956218.db2.gz KRKFTHKVXUPRMG-RXVVDRJESA-N 0 3 383.511 4.336 40 0 GIABHN COc1ccc(C(C)(C)C)cc1CN1C[C@H]2[C@H](CC[C@]2(O)c2ccccn2)C1 ZINC000019084436 570956616 /nfs/dbraw/zinc/95/66/16/570956616.db2.gz BUFINNQEMCXUDC-VWQFJMCTSA-N 0 3 380.532 4.117 40 0 GIABHN COc1ccc(CN(Cc2ccccc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120634 570957200 /nfs/dbraw/zinc/95/72/00/570957200.db2.gz ISHAWOAQHXCCAG-ZJSXRUAMSA-N 0 3 392.499 4.252 40 0 GIABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)CCCC2 ZINC000019237851 570967169 /nfs/dbraw/zinc/96/71/69/570967169.db2.gz LUBPKVYMVIJJJJ-HOKHCIIBSA-N 0 3 392.543 4.007 40 0 GIABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000019237752 570967270 /nfs/dbraw/zinc/96/72/70/570967270.db2.gz WNIHDLBABKQBAR-RZTXVSJASA-N 0 3 392.543 4.441 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)CC1=Cc2ccccc2OC1 ZINC000019238570 570967799 /nfs/dbraw/zinc/96/77/99/570967799.db2.gz WDDLRHMDEGCPKZ-UHFFFAOYSA-N 0 3 398.572 4.057 40 0 GIABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000019446664 570984536 /nfs/dbraw/zinc/98/45/36/570984536.db2.gz ZKHZGQPOXIOMLL-HYBUGGRVSA-N 0 3 395.547 4.206 40 0 GIABHN CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019446662 570984609 /nfs/dbraw/zinc/98/46/09/570984609.db2.gz WXOUJDFYQJEDSB-WMZHIEFXSA-N 0 3 383.511 4.336 40 0 GIABHN COc1ccccc1CN(CCN(C)C)Cc1c2cccnc2[nH]c1C(C)C ZINC000019451506 570985751 /nfs/dbraw/zinc/98/57/51/570985751.db2.gz YYMYNUKJTOGIRW-UHFFFAOYSA-N 0 3 380.536 4.259 40 0 GIABHN COc1ccc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000019560172 571005518 /nfs/dbraw/zinc/00/55/18/571005518.db2.gz FYQCRGMKAWFBIM-REWPJTCUSA-N 0 3 394.515 4.204 40 0 GIABHN CC(=O)NC1(c2ccccc2)CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000019658945 571025102 /nfs/dbraw/zinc/02/51/02/571025102.db2.gz HZDPLUYKUYFFOK-UHFFFAOYSA-N 0 3 378.516 4.028 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4ccc(C)cc4)n2CCN3C)o1 ZINC000096037083 571096384 /nfs/dbraw/zinc/09/63/84/571096384.db2.gz ADFDNHWTWXXQQP-UHFFFAOYSA-N 0 3 390.531 4.197 40 0 GIABHN Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccsc3)CC2)cc1 ZINC000096037080 571096539 /nfs/dbraw/zinc/09/65/39/571096539.db2.gz YJHHHSUUSQBZIH-UHFFFAOYSA-N 0 3 392.572 4.357 40 0 GIABHN c1csc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 ZINC000096038241 571097353 /nfs/dbraw/zinc/09/73/53/571097353.db2.gz XNAOPIAFKDTYQK-UHFFFAOYSA-N 0 3 375.501 4.232 40 0 GIABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096053050 571097670 /nfs/dbraw/zinc/09/76/70/571097670.db2.gz YLRBLRAGNNWXIT-NRFANRHFSA-N 0 3 391.559 4.361 40 0 GIABHN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933147 821681471 /nfs/dbraw/zinc/68/14/71/821681471.db2.gz TULIAJBVIRCGBA-LPHOPBHVSA-N 0 3 386.923 4.438 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019014357 207099674 /nfs/dbraw/zinc/09/96/74/207099674.db2.gz FLVAFNGTIQGZHB-VSRFVYNTSA-N 0 3 389.543 4.464 40 0 GIABHN COc1cc(C)ccc1CN[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019134154 207105304 /nfs/dbraw/zinc/10/53/04/207105304.db2.gz LNHUUOUYZCIQMJ-HXUWFJFHSA-N 0 3 397.906 4.122 40 0 GIABHN COc1ccc(CN2CC[C@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)cc1OC ZINC000019212114 207107496 /nfs/dbraw/zinc/10/74/96/207107496.db2.gz IMKFNCKGSBDQNC-IBGZPJMESA-N 0 3 377.488 4.392 40 0 GIABHN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc2n1 ZINC000019522235 207126271 /nfs/dbraw/zinc/12/62/71/207126271.db2.gz IHWPQZSOHPOGDN-OAHLLOKOSA-N 0 3 389.425 4.085 40 0 GIABHN CCn1cc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4cccc(C)c4)n3)CC2)c(C)n1 ZINC000019524525 207129400 /nfs/dbraw/zinc/12/94/00/207129400.db2.gz KRSJKQULQYGSNQ-UHFFFAOYSA-N 0 3 391.519 4.062 40 0 GIABHN CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019446657 207121392 /nfs/dbraw/zinc/12/13/92/207121392.db2.gz WXOUJDFYQJEDSB-XXBNENTESA-N 0 3 383.511 4.336 40 0 GIABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCc1ccccn1 ZINC000019590179 207141071 /nfs/dbraw/zinc/14/10/71/207141071.db2.gz FBWQVJNQFLMFGG-VDKIKQQVSA-N 0 3 391.559 4.273 40 0 GIABHN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)(C)N1CCCCC1 ZINC000019718274 207154891 /nfs/dbraw/zinc/15/48/91/207154891.db2.gz DZWLSGJNKYWDSW-UHFFFAOYSA-N 0 3 375.900 4.298 40 0 GIABHN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020049026 207175473 /nfs/dbraw/zinc/17/54/73/207175473.db2.gz BILKXUIXTWJDIM-UHFFFAOYSA-N 0 3 380.488 4.266 40 0 GIABHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(OC)cc1 ZINC000028296112 207340546 /nfs/dbraw/zinc/34/05/46/207340546.db2.gz KGRHZNBYOBAOJK-NRFANRHFSA-N 0 3 393.487 4.163 40 0 GIABHN COc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000030552244 207372625 /nfs/dbraw/zinc/37/26/25/207372625.db2.gz OAIJZLCRDKHZBY-UHFFFAOYSA-N 0 3 396.531 4.157 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2n1 ZINC000072397145 208013892 /nfs/dbraw/zinc/01/38/92/208013892.db2.gz WKOGRIRKJPVJOI-MRXNPFEDSA-N 0 3 389.425 4.140 40 0 GIABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096053047 208259369 /nfs/dbraw/zinc/25/93/69/208259369.db2.gz AQNBMEZRNRDBLU-HXUWFJFHSA-N 0 3 391.559 4.361 40 0 GIABHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627690 208320352 /nfs/dbraw/zinc/32/03/52/208320352.db2.gz AKNDRVPOKBLPFB-KRWDZBQOSA-N 0 3 394.412 4.373 40 0 GIABHN CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)CC1 ZINC000100745870 208380994 /nfs/dbraw/zinc/38/09/94/208380994.db2.gz RAPDYNHTPZMWJN-PFDCGNQRSA-N 0 3 384.564 4.061 40 0 GIABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](CC(C)C)[C@@H]2C1=O ZINC000101033540 208386102 /nfs/dbraw/zinc/38/61/02/208386102.db2.gz JUUJKPHJIMKYQY-AABGKKOBSA-N 0 3 398.890 4.373 40 0 GIABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135817 209104009 /nfs/dbraw/zinc/10/40/09/209104009.db2.gz PBWYXVGEWYJISM-JOCHJYFZSA-N 0 3 383.499 4.479 40 0 GIABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 ZINC000306133141 209101832 /nfs/dbraw/zinc/10/18/32/209101832.db2.gz MDEKIGIBODGDQE-NRFANRHFSA-N 0 3 383.492 4.234 40 0 GIABHN O=C(c1ccsc1)N1C[C@]2(CCN(Cc3cccs3)C2)c2ncccc21 ZINC000306128422 209100501 /nfs/dbraw/zinc/10/05/01/209100501.db2.gz GZVQCSLJLJLTOV-HXUWFJFHSA-N 0 3 381.526 4.009 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3Cl)CC2)cc1 ZINC000224530429 208928159 /nfs/dbraw/zinc/92/81/59/208928159.db2.gz GNAFIQQXJYOYKQ-UHFFFAOYSA-N 0 3 386.923 4.056 40 0 GIABHN Cc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257298893 209071363 /nfs/dbraw/zinc/07/13/63/209071363.db2.gz RNSHNRNBHQQBPI-IBGZPJMESA-N 0 3 381.520 4.425 40 0 GIABHN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072345894 222232574 /nfs/dbraw/zinc/23/25/74/222232574.db2.gz MKYIJSUTFFPJJH-KRWDZBQOSA-N 0 3 380.442 4.384 40 0 GIABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072345947 222232681 /nfs/dbraw/zinc/23/26/81/222232681.db2.gz BMFADKRXEDICCJ-KRWDZBQOSA-N 0 3 379.895 4.154 40 0 GIABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)COC(C)C)C3)c2)c1 ZINC000072352077 222237940 /nfs/dbraw/zinc/23/79/40/222237940.db2.gz RPEMEIZHUVYQKN-SFHVURJKSA-N 0 3 397.519 4.273 40 0 GIABHN COc1ccc(-c2nnc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049170088 560084129 /nfs/dbraw/zinc/08/41/29/560084129.db2.gz CLJXOTPNIWPITJ-IBGZPJMESA-N 0 3 386.455 4.283 40 0 biogenic,in-vitro GIABHN CCn1cc(CN2CCC[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)cn1 ZINC000585262691 570229965 /nfs/dbraw/zinc/22/99/65/570229965.db2.gz SSVALAPCEBUXNI-KRWDZBQOSA-N 0 3 382.537 4.186 40 0 GIABHN CCn1ncc(CN2CCC[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)c1C ZINC000585262719 570230168 /nfs/dbraw/zinc/23/01/68/570230168.db2.gz XSFJNBQLONPBKG-QGZVFWFLSA-N 0 3 396.564 4.495 40 0 GIABHN Cc1cnc(Nc2cccc(C3CCN(Cc4cn(C)nc4C)CC3)n2)s1 ZINC000585262624 570230951 /nfs/dbraw/zinc/23/09/51/570230951.db2.gz JWOCJDLNWZLMPR-UHFFFAOYSA-N 0 3 382.537 4.012 40 0 GIABHN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccncc3)N21 ZINC000222675657 570420112 /nfs/dbraw/zinc/42/01/12/570420112.db2.gz ZGSPHXYXFCIADS-RYGJVYDSSA-N 0 3 375.501 4.247 40 0 GIABHN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222953874 570432906 /nfs/dbraw/zinc/43/29/06/570432906.db2.gz VJNNCOVPVGRPQM-WOJBJXKFSA-N 0 3 377.517 4.040 40 0 GIABHN Cc1ccccc1-n1c(SCCN2CCCCC2)nnc1-c1cccnc1 ZINC000035310886 570465987 /nfs/dbraw/zinc/46/59/87/570465987.db2.gz OAZCVCJWJJWMGR-UHFFFAOYSA-N 0 3 379.533 4.216 40 0 GIABHN CCn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCCCC1 ZINC000000898538 570513541 /nfs/dbraw/zinc/51/35/41/570513541.db2.gz BSFXMYJHZWXSRO-UHFFFAOYSA-N 0 3 380.945 4.108 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)CC1 ZINC000225002767 570542659 /nfs/dbraw/zinc/54/26/59/570542659.db2.gz JAOWJRQSDKWBSO-UHFFFAOYSA-N 0 3 393.531 4.007 40 0 GIABHN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000038857654 570588206 /nfs/dbraw/zinc/58/82/06/570588206.db2.gz BRLSGAZOWKHKTB-QGZVFWFLSA-N 0 3 385.895 4.149 40 0 GIABHN CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000012239719 570630090 /nfs/dbraw/zinc/63/00/90/570630090.db2.gz XYXSWTGRILSBKP-LJQANCHMSA-N 0 3 385.577 4.268 40 0 GIABHN Cc1ccc([C@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292174 570633419 /nfs/dbraw/zinc/63/34/19/570633419.db2.gz MUUWXTGWWOSOBV-LJQANCHMSA-N 0 3 379.422 4.031 40 0 GIABHN CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000044851449 570636225 /nfs/dbraw/zinc/63/62/25/570636225.db2.gz FLEVPMZVWCBUAT-UHFFFAOYSA-N 0 3 398.522 4.185 40 0 GIABHN O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044906473 570641967 /nfs/dbraw/zinc/64/19/67/570641967.db2.gz BQSDCLTZGGACHC-LJQANCHMSA-N 0 3 388.914 4.440 40 0 GIABHN CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918286 570643346 /nfs/dbraw/zinc/64/33/46/570643346.db2.gz BFGXPLDWHHYHQE-WIYYLYMNSA-N 0 3 396.506 4.456 40 0 GIABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013613675 570762860 /nfs/dbraw/zinc/76/28/60/570762860.db2.gz ONCQWUVHKKALEN-HNNXBMFYSA-N 0 3 393.380 4.067 40 0 GIABHN COc1ccc(CCN(Cc2ccncc2)Cc2ccc(F)cc2)cc1OC ZINC000013989460 570868167 /nfs/dbraw/zinc/86/81/67/570868167.db2.gz LXGKPNSMEBUAMD-UHFFFAOYSA-N 0 3 380.463 4.483 40 0 GIABHN CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C)n1 ZINC000329069114 206243712 /nfs/dbraw/zinc/24/37/12/206243712.db2.gz YVIJRUAKCTZBEF-GFCCVEGCSA-N 0 3 380.414 4.457 40 0 GIABHN Cc1cc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)ccc1C(C)C ZINC000329047058 206242690 /nfs/dbraw/zinc/24/26/90/206242690.db2.gz UEIGRNJHAZXKHK-UHFFFAOYSA-N 0 3 390.535 4.109 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1cccc2cccnc21 ZINC000019238583 207111578 /nfs/dbraw/zinc/11/15/78/207111578.db2.gz BEGTZDUCTOVSBG-UHFFFAOYSA-N 0 3 395.572 4.329 40 0 GIABHN CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)Cc2ccccc2)C1 ZINC000019498691 207124829 /nfs/dbraw/zinc/12/48/29/207124829.db2.gz WAYYMRICDSPSIJ-LJQANCHMSA-N 0 3 390.531 4.311 40 0 GIABHN Cc1ncsc1-c1nnc([C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)o1 ZINC000019562789 207134474 /nfs/dbraw/zinc/13/44/74/207134474.db2.gz WQYFEXMOGTXLQR-MRXNPFEDSA-N 0 3 391.500 4.429 40 0 GIABHN Cc1c2ccccc2oc1CN1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019566412 207136888 /nfs/dbraw/zinc/13/68/88/207136888.db2.gz UMPLXYDAILFZPY-YADARESESA-N 0 3 389.499 4.165 40 0 GIABHN Cc1c(C(=O)Nc2ccc(OCCN3CCCC3)cc2)n[nH]c1-c1cccs1 ZINC000019555165 207132588 /nfs/dbraw/zinc/13/25/88/207132588.db2.gz SYCCOHHZXJIZNN-UHFFFAOYSA-N 0 3 396.516 4.174 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc1 ZINC000019555164 207132816 /nfs/dbraw/zinc/13/28/16/207132816.db2.gz GRHBTZFMFVRTMC-GOSISDBHSA-N 0 3 397.519 4.125 40 0 GIABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCCc1ccc(F)cc1 ZINC000019589214 207142033 /nfs/dbraw/zinc/14/20/33/207142033.db2.gz PUCQZGACFARBQL-CQOQZXRMSA-N 0 3 398.497 4.376 40 0 GIABHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000022574819 207257385 /nfs/dbraw/zinc/25/73/85/207257385.db2.gz TVUNZKVSFCPHNE-UHFFFAOYSA-N 0 3 377.532 4.242 40 0 GIABHN Cc1c(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cnn1C ZINC000072374948 208007502 /nfs/dbraw/zinc/00/75/02/208007502.db2.gz JIVPRNKSQXRSCK-IBGZPJMESA-N 0 3 390.535 4.259 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(Cc4ccc(F)cc4)C3)cc2n1 ZINC000072397152 208013704 /nfs/dbraw/zinc/01/37/04/208013704.db2.gz LMDOVUYHDLEJNF-AWEZNQCLSA-N 0 3 378.373 4.185 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)o1 ZINC000096036964 208255653 /nfs/dbraw/zinc/25/56/53/208255653.db2.gz YINOSZOGRIZCJJ-UHFFFAOYSA-N 0 3 394.494 4.027 40 0 GIABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)o1 ZINC000096052979 208257705 /nfs/dbraw/zinc/25/77/05/208257705.db2.gz FINCLUIYFNHMPE-SFHVURJKSA-N 0 3 378.516 4.278 40 0 GIABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)o1 ZINC000096052980 208258883 /nfs/dbraw/zinc/25/88/83/208258883.db2.gz FINCLUIYFNHMPE-GOSISDBHSA-N 0 3 378.516 4.278 40 0 GIABHN Cn1cnc2c1cc(C1CCN(Cc3ccccn3)CC1)nc2-c1ccccc1 ZINC000096099931 208264425 /nfs/dbraw/zinc/26/44/25/208264425.db2.gz RHFAQTDNOWXJKZ-UHFFFAOYSA-N 0 3 383.499 4.410 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000100626363 208379851 /nfs/dbraw/zinc/37/98/51/208379851.db2.gz LDVDUVVKRUVWQU-AQNXPRMDSA-N 0 3 390.464 4.108 40 0 GIABHN CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000100857493 208382679 /nfs/dbraw/zinc/38/26/79/208382679.db2.gz HQCAZEOSSBVLQO-VABKMULXSA-N 0 3 398.462 4.300 40 0 GIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000100857493 208382683 /nfs/dbraw/zinc/38/26/83/208382683.db2.gz HQCAZEOSSBVLQO-VABKMULXSA-N 0 3 398.462 4.300 40 0 GIABHN c1csc(-c2ccc3nnc(C4CCN(Cc5ccsc5)CC4)n3n2)c1 ZINC000306138261 209104096 /nfs/dbraw/zinc/10/40/96/209104096.db2.gz RTQHUEZHBHPVJS-UHFFFAOYSA-N 0 3 381.530 4.294 40 0 GIABHN Fc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306136671 209104251 /nfs/dbraw/zinc/10/42/51/209104251.db2.gz PZMRNTWOBAQDFQ-HXUWFJFHSA-N 0 3 387.462 4.310 40 0 GIABHN Cc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257298894 209070102 /nfs/dbraw/zinc/07/01/02/209070102.db2.gz RNSHNRNBHQQBPI-LJQANCHMSA-N 0 3 381.520 4.425 40 0 GIABHN COc1cccc(CN2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)c1 ZINC000257306263 209072950 /nfs/dbraw/zinc/07/29/50/209072950.db2.gz STMYVEGOUMTPRX-RBBKRZOGSA-N 0 3 395.499 4.296 40 0 GIABHN CN1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4Cl)no3)CCC[C@@]21C ZINC000257327574 209076953 /nfs/dbraw/zinc/07/69/53/209076953.db2.gz XBWXGKJYVRMXBW-FPOVZHCZSA-N 0 3 387.911 4.474 40 0 GIABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(Cc4cn(C)nc4C)C3)c2)cc1 ZINC000257334421 209078536 /nfs/dbraw/zinc/07/85/36/209078536.db2.gz YFUJNHOMALXAQE-SFHVURJKSA-N 0 3 391.519 4.174 40 0 GIABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072345946 222232947 /nfs/dbraw/zinc/23/29/47/222232947.db2.gz BMFADKRXEDICCJ-QGZVFWFLSA-N 0 3 379.895 4.154 40 0 GIABHN Cc1nn(C(C)C)c(C)c1CN1Cc2cc(C)ccc2OC2(CCN(C)CC2)C1 ZINC000072394192 222250401 /nfs/dbraw/zinc/25/04/01/222250401.db2.gz OSGJFDYOSGUJFD-UHFFFAOYSA-N 0 3 396.579 4.248 40 0 GIABHN CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039745742 528148234 /nfs/dbraw/zinc/14/82/34/528148234.db2.gz OLKYWRFQUUBNTK-UHFFFAOYSA-N 0 3 394.559 4.435 40 0 GIABHN C[C@@]1(O)CCN(CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289899 560031373 /nfs/dbraw/zinc/03/13/73/560031373.db2.gz MEPYLRBUXVERPE-WPFOTENUSA-N 0 3 384.564 4.050 40 0 biogenic,in-vitro GIABHN CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882824 560089661 /nfs/dbraw/zinc/08/96/61/560089661.db2.gz ZBKPTGUQCREXBY-FKBYEOEOSA-N 0 3 395.547 4.466 40 0 biogenic,in-vitro GIABHN Cc1ccccc1OC[C@@]1(O)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585286675 570255596 /nfs/dbraw/zinc/25/55/96/570255596.db2.gz HORKSCRRVYRWPX-LSQMVHIFSA-N 0 3 395.543 4.164 40 0 GIABHN CCCN1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216421 570317550 /nfs/dbraw/zinc/31/75/50/570317550.db2.gz IVYZDIOKVSMFRW-IBGZPJMESA-N 0 3 388.556 4.076 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072359294 570339783 /nfs/dbraw/zinc/33/97/83/570339783.db2.gz KDBCUGBDQPDWBA-OAQYLSRUSA-N 0 3 389.499 4.024 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)N(C(C)C)C(C)C)C3)cc1 ZINC000004887965 570415666 /nfs/dbraw/zinc/41/56/66/570415666.db2.gz VPGKDENRYGEAAF-SEJPIABJSA-N 0 3 387.568 4.409 40 0 GIABHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000222669016 570419522 /nfs/dbraw/zinc/41/95/22/570419522.db2.gz HITIBPBPAIVLAT-FQEVSTJZSA-N 0 3 394.559 4.450 40 0 GIABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222704821 570421301 /nfs/dbraw/zinc/42/13/01/570421301.db2.gz SUFAUDLRFHVIEM-GOSISDBHSA-N 0 3 394.515 4.181 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1F)C2 ZINC000035289811 570455665 /nfs/dbraw/zinc/45/56/65/570455665.db2.gz BTNFOFOUMKTVOJ-YQQQUEKLSA-N 0 3 382.479 4.150 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3cccc(C)c3C)CC2)cc1 ZINC000223948344 570491338 /nfs/dbraw/zinc/49/13/38/570491338.db2.gz UZXVQVXMXJVEJH-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224831447 570532817 /nfs/dbraw/zinc/53/28/17/570532817.db2.gz GADWLXMEVOAWMV-UHFFFAOYSA-N 0 3 380.532 4.293 40 0 GIABHN O=C(NCCSc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038836480 570586863 /nfs/dbraw/zinc/58/68/63/570586863.db2.gz CUTUEUVPDWELPQ-GOSISDBHSA-N 0 3 388.964 4.461 40 0 GIABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000038850231 570587840 /nfs/dbraw/zinc/58/78/40/570587840.db2.gz WDUOGECFOXORQP-OAHLLOKOSA-N 0 3 376.859 4.338 40 0 GIABHN FC(F)(F)c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000225743227 570612113 /nfs/dbraw/zinc/61/21/13/570612113.db2.gz HXLAPOPLBTVECB-UHFFFAOYSA-N 0 3 393.478 4.440 40 0 GIABHN CCCSc1nnc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)s1 ZINC000225786211 570617320 /nfs/dbraw/zinc/61/73/20/570617320.db2.gz LWIXWJBSQPJJTP-UHFFFAOYSA-N 0 3 390.578 4.199 40 0 GIABHN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044852664 570636140 /nfs/dbraw/zinc/63/61/40/570636140.db2.gz FBJAGSYWWFKKFS-FQEVSTJZSA-N 0 3 380.532 4.424 40 0 GIABHN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000044852855 570636250 /nfs/dbraw/zinc/63/62/50/570636250.db2.gz WTRFPUKJOYYXRH-HXUWFJFHSA-N 0 3 380.532 4.099 40 0 GIABHN O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044906377 570641648 /nfs/dbraw/zinc/64/16/48/570641648.db2.gz PEHHMIKDWBKWFE-LJQANCHMSA-N 0 3 388.914 4.440 40 0 GIABHN CCOc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044919692 570643417 /nfs/dbraw/zinc/64/34/17/570643417.db2.gz HYQMIBFHXGEKOX-LJQANCHMSA-N 0 3 386.923 4.267 40 0 GIABHN CCOCc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC ZINC000012329007 570643577 /nfs/dbraw/zinc/64/35/77/570643577.db2.gz QFWGDRZJKSYXES-RIKCKFAHSA-N 0 3 399.506 4.385 40 0 GIABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936225 570644267 /nfs/dbraw/zinc/64/42/67/570644267.db2.gz ARYQIIRDHCXNGX-KNQAVFIVSA-N 0 3 384.495 4.314 40 0 GIABHN O=S(=O)(NC[C@H](NC1CCCCC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121218 570736944 /nfs/dbraw/zinc/73/69/44/570736944.db2.gz QUHNGUBOKUKNFI-FQEVSTJZSA-N 0 3 392.952 4.282 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000004899154 571004571 /nfs/dbraw/zinc/00/45/71/571004571.db2.gz XAMAGBJBSKQBOE-FBLLAGFSSA-N 0 3 398.462 4.436 40 0 GIABHN Fc1ccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306144248 209108855 /nfs/dbraw/zinc/10/88/55/209108855.db2.gz ZAJFGTBDBMNVMO-HXUWFJFHSA-N 0 3 387.462 4.310 40 0 GIABHN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(C)s4)C2)OC3)c1 ZINC000306141993 209108006 /nfs/dbraw/zinc/10/80/06/209108006.db2.gz WLYNZJKKXCBGKL-QFIPXVFZSA-N 0 3 395.528 4.104 40 0 GIABHN Fc1cccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 ZINC000306144167 209107917 /nfs/dbraw/zinc/10/79/17/209107917.db2.gz YXYRVWGELWOWEG-QFIPXVFZSA-N 0 3 381.426 4.003 40 0 GIABHN Fc1ccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306144247 209107615 /nfs/dbraw/zinc/10/76/15/209107615.db2.gz ZAJFGTBDBMNVMO-FQEVSTJZSA-N 0 3 387.462 4.310 40 0 GIABHN CSc1nc(-c2ccccc2)c(C(=O)N[C@@H](C)CN2CCCCC2)s1 ZINC000001611479 206386759 /nfs/dbraw/zinc/38/67/59/206386759.db2.gz SUIHBZSLWAQZGJ-AWEZNQCLSA-N 0 3 375.563 4.136 40 0 GIABHN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(C)c4)C2)OC3)c1 ZINC000306139236 209107133 /nfs/dbraw/zinc/10/71/33/209107133.db2.gz SSYCWDZQKAAGNQ-XMMPIXPASA-N 0 3 389.499 4.042 40 0 GIABHN COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CCN(Cc4ccccc4Cl)C[C@@H]23)cc1 ZINC000019019526 207100985 /nfs/dbraw/zinc/10/09/85/207100985.db2.gz MPKDBXRMSPOUMV-FUDKSRODSA-N 0 3 398.934 4.185 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccc2ccccc2n1 ZINC000019238578 207110456 /nfs/dbraw/zinc/11/04/56/207110456.db2.gz QIWZNUCZGUQJDH-UHFFFAOYSA-N 0 3 395.572 4.329 40 0 GIABHN COc1cccc(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 ZINC000019217361 207107969 /nfs/dbraw/zinc/10/79/69/207107969.db2.gz KWKDOLBAYRXANR-TZIWHRDSSA-N 0 3 384.545 4.297 40 0 GIABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(CCc3ccccc3)C2)no1 ZINC000019371277 207119839 /nfs/dbraw/zinc/11/98/39/207119839.db2.gz RHXQXFAGCMCTCP-IBGZPJMESA-N 0 3 381.520 4.159 40 0 GIABHN CC1CCN(C(=O)c2cc([C@H]3CCCN(CCCc4ccccc4)C3)no2)CC1 ZINC000019496733 207125255 /nfs/dbraw/zinc/12/52/55/207125255.db2.gz UFZNIQLAMLXARI-NRFANRHFSA-N 0 3 395.547 4.359 40 0 GIABHN CCOc1ccccc1C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019520014 207127134 /nfs/dbraw/zinc/12/71/34/207127134.db2.gz LYFXZKMPMUDZJO-UHFFFAOYSA-N 0 3 394.515 4.021 40 0 GIABHN Cc1noc2nc(C3CCN(Cc4cccnc4)CC3)cc(C(F)(F)F)c12 ZINC000019565085 207136681 /nfs/dbraw/zinc/13/66/81/207136681.db2.gz HJDJECQJGWQHJH-UHFFFAOYSA-N 0 3 376.382 4.325 40 0 GIABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000019565132 207136901 /nfs/dbraw/zinc/13/69/01/207136901.db2.gz YEQKYNOMSZGOKG-GOSISDBHSA-N 0 3 397.519 4.125 40 0 GIABHN CN(C)c1cc(C2CCN(Cc3ccc(F)cc3)CC2)nc(-c2cccnc2)n1 ZINC000019584475 207139249 /nfs/dbraw/zinc/13/92/49/207139249.db2.gz SYEMLGMNJRJMHU-UHFFFAOYSA-N 0 3 391.494 4.123 40 0 GIABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)CCC2 ZINC000019532395 207131460 /nfs/dbraw/zinc/13/14/60/207131460.db2.gz BXTQNWQCHYKHEK-HOKHCIIBSA-N 0 3 392.543 4.007 40 0 GIABHN COc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)cc1OC ZINC000019557935 207132723 /nfs/dbraw/zinc/13/27/23/207132723.db2.gz FYAWMAFCFFDIMY-GOSISDBHSA-N 0 3 396.491 4.426 40 0 GIABHN Cc1cc(C)n(CCCN(C)Cc2c(-c3ccc(F)cc3)nc3ccccn32)n1 ZINC000019714086 207152536 /nfs/dbraw/zinc/15/25/36/207152536.db2.gz OCEXCUIMGFWTIL-UHFFFAOYSA-N 0 3 391.494 4.476 40 0 GIABHN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020035767 207175262 /nfs/dbraw/zinc/17/52/62/207175262.db2.gz VMGDOQCDZXJVNY-UHFFFAOYSA-N 0 3 393.531 4.309 40 0 GIABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1OC ZINC000030751781 207373850 /nfs/dbraw/zinc/37/38/50/207373850.db2.gz JEKDBJCVCONXMV-KRWDZBQOSA-N 0 3 382.504 4.181 40 0 GIABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1OC ZINC000030751777 207374236 /nfs/dbraw/zinc/37/42/36/207374236.db2.gz JEKDBJCVCONXMV-QGZVFWFLSA-N 0 3 382.504 4.181 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1 ZINC000072353358 208001655 /nfs/dbraw/zinc/00/16/55/208001655.db2.gz PWTSGNCPPWRWIJ-IBGZPJMESA-N 0 3 390.535 4.433 40 0 GIABHN CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072358197 208002678 /nfs/dbraw/zinc/00/26/78/208002678.db2.gz YHWKFEWQXXFKHX-QHCPKHFHSA-N 0 3 397.950 4.474 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376072 208008854 /nfs/dbraw/zinc/00/88/54/208008854.db2.gz KIKGCPHUMPFHHP-LJQANCHMSA-N 0 3 376.508 4.125 40 0 GIABHN CCc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)n1 ZINC000072379121 208011719 /nfs/dbraw/zinc/01/17/19/208011719.db2.gz KNBPVFLXYWMHFN-LJQANCHMSA-N 0 3 376.504 4.218 40 0 GIABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096052629 208255953 /nfs/dbraw/zinc/25/59/53/208255953.db2.gz FQTGRHNTXNNJJP-LJQANCHMSA-N 0 3 377.532 4.017 40 0 GIABHN Cc1noc(C)c1CN1CCC2(C[C@@H](CC(=O)NC(C)C)c3ccccc32)CC1 ZINC000096052622 208256276 /nfs/dbraw/zinc/25/62/76/208256276.db2.gz MFDFVUOBQWDCRF-LJQANCHMSA-N 0 3 395.547 4.227 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052765 208256296 /nfs/dbraw/zinc/25/62/96/208256296.db2.gz GAMHAIOOURTCBY-HXUWFJFHSA-N 0 3 389.543 4.162 40 0 GIABHN COc1cccc(CN2CCC3(CCN(C(=O)c4cc(C)cc(C)c4)C3)CC2)c1 ZINC000096046651 208256868 /nfs/dbraw/zinc/25/68/68/208256868.db2.gz UGWRMWLGZLEYRG-UHFFFAOYSA-N 0 3 392.543 4.440 40 0 GIABHN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053144 208257800 /nfs/dbraw/zinc/25/78/00/208257800.db2.gz YJZINCUWBXYKKE-KRWDZBQOSA-N 0 3 384.545 4.127 40 0 GIABHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccc(C)s1)CC2 ZINC000096061350 208258035 /nfs/dbraw/zinc/25/80/35/208258035.db2.gz CRBBETIQHLSYSR-OAQYLSRUSA-N 0 3 398.572 4.054 40 0 GIABHN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053148 208258390 /nfs/dbraw/zinc/25/83/90/208258390.db2.gz PJUBIRHBTMTABH-SFHVURJKSA-N 0 3 384.545 4.127 40 0 GIABHN O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245470 208294909 /nfs/dbraw/zinc/29/49/09/208294909.db2.gz QMUVPSDUWGLZLP-QZTJIDSGSA-N 0 3 389.326 4.126 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000097954477 208364085 /nfs/dbraw/zinc/36/40/85/208364085.db2.gz NTWYOLBMNRGCRN-ZRBLBEILSA-N 0 3 398.462 4.355 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000100799230 208380260 /nfs/dbraw/zinc/38/02/60/208380260.db2.gz QKTVQSXOOWUXFK-AABGKKOBSA-N 0 3 390.464 4.108 40 0 GIABHN CC(C)N(C)C(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccccc2)CC1 ZINC000306134567 209102722 /nfs/dbraw/zinc/10/27/22/209102722.db2.gz NSFCPPQYGQXSMB-UHFFFAOYSA-N 0 3 392.543 4.483 40 0 GIABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000038772148 533105991 /nfs/dbraw/zinc/10/59/91/533105991.db2.gz WVGREZCBBUQOBS-GOSISDBHSA-N 0 3 396.531 4.427 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133011 209101021 /nfs/dbraw/zinc/10/10/21/209101021.db2.gz LYTOOYQYXPSBOW-OAQYLSRUSA-N 0 3 399.498 4.180 40 0 GIABHN Cc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131079 209100029 /nfs/dbraw/zinc/10/00/29/209100029.db2.gz JVYXNAJAEQDNCF-NHCUHLMSSA-N 0 3 395.503 4.079 40 0 GIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(CCN3CCCC3=O)C2)n1 ZINC000257208099 209055728 /nfs/dbraw/zinc/05/57/28/209055728.db2.gz BKTIAXAUVAIAEP-SFHVURJKSA-N 0 3 396.510 4.075 40 0 GIABHN CC(C)CN1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257277050 209066503 /nfs/dbraw/zinc/06/65/03/209066503.db2.gz NWGCCHQYLWFACL-LJQANCHMSA-N 0 3 397.441 4.079 40 0 GIABHN CC(C)CN1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257277049 209066371 /nfs/dbraw/zinc/06/63/71/209066371.db2.gz NWGCCHQYLWFACL-IBGZPJMESA-N 0 3 397.441 4.079 40 0 GIABHN CNc1ncccc1CN1CCC(c2cc(-c3c(C)noc3C)ccn2)CC1 ZINC000257297034 209070244 /nfs/dbraw/zinc/07/02/44/209070244.db2.gz RFMAAPXADBZFJL-UHFFFAOYSA-N 0 3 377.492 4.170 40 0 GIABHN Cc1csc([N-]c2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)n1 ZINC000257303762 209073146 /nfs/dbraw/zinc/07/31/46/209073146.db2.gz SIOWJARJULRKNE-UHFFFAOYSA-N 0 3 379.533 4.407 40 0 GIABHN Clc1ccc(-c2nc3sc4c(c3c(N3CCNCC3)n2)CCCC4)cc1 ZINC000013998063 136201554 /nfs/dbraw/zinc/20/15/54/136201554.db2.gz UJQRKFZYPGABKP-UHFFFAOYSA-N 0 3 384.936 4.300 40 0 GIABHN COc1ccc(CN2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C(C)=O)cc1 ZINC000257323617 209076034 /nfs/dbraw/zinc/07/60/34/209076034.db2.gz WLCLMCAWKBKARR-KMDXXIMOSA-N 0 3 378.516 4.412 40 0 GIABHN CCn1ncc(CN2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1C ZINC000257340949 209078559 /nfs/dbraw/zinc/07/85/59/209078559.db2.gz ZIFXZZWDSGRJAI-KRWDZBQOSA-N 0 3 396.564 4.495 40 0 GIABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072345959 222232832 /nfs/dbraw/zinc/23/28/32/222232832.db2.gz KKUVOENTSZDNIY-QGZVFWFLSA-N 0 3 379.895 4.154 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072345903 222233527 /nfs/dbraw/zinc/23/35/27/222233527.db2.gz TZRIAGSSDBEOEM-GOSISDBHSA-N 0 3 392.478 4.253 40 0 GIABHN CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289258 560033127 /nfs/dbraw/zinc/03/31/27/560033127.db2.gz GVAPKEUQNVDQJQ-WPFOTENUSA-N 0 3 398.522 4.168 40 0 biogenic,in-vitro GIABHN Cc1ccccc1OC[C@]1(O)COCCN([C@H]2CC[C@H](C(C)(C)C)CC2)C1 ZINC000585284887 570254227 /nfs/dbraw/zinc/25/42/27/570254227.db2.gz AMEUOGJLGCQYEC-TXTKFYIRSA-N 0 3 375.553 4.042 40 0 GIABHN Cc1cccc(OC[C@@]2(O)COCCN([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585287790 570259005 /nfs/dbraw/zinc/25/90/05/570259005.db2.gz RUOMLCIQWFCIAF-LSQMVHIFSA-N 0 3 395.543 4.164 40 0 GIABHN CCN(CC)CCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022075196 570321197 /nfs/dbraw/zinc/32/11/97/570321197.db2.gz MWPDTZMEQPZMKJ-UHFFFAOYSA-N 0 3 376.928 4.359 40 0 GIABHN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccncc3)N21 ZINC000222675787 570420242 /nfs/dbraw/zinc/42/02/42/570420242.db2.gz ZGSPHXYXFCIADS-CWFSZBLJSA-N 0 3 375.501 4.247 40 0 GIABHN COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2OC)c1 ZINC000035289808 570455428 /nfs/dbraw/zinc/45/54/28/570455428.db2.gz AJBGLZVZKVIXCU-SEJPIABJSA-N 0 3 394.515 4.019 40 0 GIABHN COCCCOc1c(CNC2CCCCC2)c(C)nn1-c1ccc(F)cc1F ZINC000536555949 570465286 /nfs/dbraw/zinc/46/52/86/570465286.db2.gz JCXSOLIJRMMWHV-UHFFFAOYSA-N 0 3 393.478 4.297 40 0 GIABHN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000223640901 570476054 /nfs/dbraw/zinc/47/60/54/570476054.db2.gz KMBQBEGTONLQMY-GOSISDBHSA-N 0 3 396.531 4.427 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3cc(C)cc(C)c3)CC2)c1 ZINC000224094455 570498371 /nfs/dbraw/zinc/49/83/71/570498371.db2.gz YHKBFQLYEMXICJ-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 ZINC000224331940 570509379 /nfs/dbraw/zinc/50/93/79/570509379.db2.gz NKFNXRDCZHCIQK-UHFFFAOYSA-N 0 3 380.532 4.344 40 0 GIABHN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837127 570533340 /nfs/dbraw/zinc/53/33/40/570533340.db2.gz VGMGDXNZDJELQV-QFIPXVFZSA-N 0 3 384.495 4.285 40 0 GIABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C1CCCC1 ZINC000225008489 570543003 /nfs/dbraw/zinc/54/30/03/570543003.db2.gz UNDOXZXZNXCDMJ-SFTDATJTSA-N 0 3 389.528 4.182 40 0 GIABHN CC(C)n1c2ccc(NC(=O)c3ccc(CN4CCCC4)cc3)cc2sc1=O ZINC000225151329 570552213 /nfs/dbraw/zinc/55/22/13/570552213.db2.gz BVSGDKQNYPTZLM-UHFFFAOYSA-N 0 3 395.528 4.492 40 0 GIABHN COc1ccc2c(c1)C=C(CN(CCCn1ccnc1)Cc1ccc(C)o1)CO2 ZINC000036740268 570568487 /nfs/dbraw/zinc/56/84/87/570568487.db2.gz LWCBRKDXODCAKR-UHFFFAOYSA-N 0 3 393.487 4.161 40 0 GIABHN CN(Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036741250 570569122 /nfs/dbraw/zinc/56/91/22/570569122.db2.gz YYKYFVVGULHFSQ-JOCHJYFZSA-N 0 3 380.532 4.177 40 0 GIABHN CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225662689 570599626 /nfs/dbraw/zinc/59/96/26/570599626.db2.gz JVPXZYWMGZMCGG-CVDCTZTESA-N 0 3 388.552 4.475 40 0 GIABHN CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225662717 570599853 /nfs/dbraw/zinc/59/98/53/570599853.db2.gz JVPXZYWMGZMCGG-WMZHIEFXSA-N 0 3 388.552 4.475 40 0 GIABHN COc1ccc(CN2CCC(c3[nH]nc4ncccc43)CC2)cc1OC(C)C ZINC000012143431 570615194 /nfs/dbraw/zinc/61/51/94/570615194.db2.gz GHIUZFZBFGYBCV-UHFFFAOYSA-N 0 3 380.492 4.133 40 0 GIABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccccc3Cl)cc2)CC1 ZINC000225771959 570615854 /nfs/dbraw/zinc/61/58/54/570615854.db2.gz OFOXSOUUKPCTOE-UHFFFAOYSA-N 0 3 389.952 4.300 40 0 GIABHN COc1ccc(CN(Cc2c[nH]c3ccccc23)C[C@@H]2CCCO2)cc1OC ZINC000012187292 570621463 /nfs/dbraw/zinc/62/14/63/570621463.db2.gz XELIEWXHXOQVKU-IBGZPJMESA-N 0 3 380.488 4.366 40 0 GIABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000012188350 570621900 /nfs/dbraw/zinc/62/19/00/570621900.db2.gz DCBVODRYLVDAPD-DEOSSOPVSA-N 0 3 388.511 4.001 40 0 GIABHN CN(C)CCN(C(=O)Cc1csc(-c2ccccc2F)n1)C1CCCCC1 ZINC000012240268 570630116 /nfs/dbraw/zinc/63/01/16/570630116.db2.gz BTCKOGRCGQTWID-UHFFFAOYSA-N 0 3 389.540 4.215 40 0 GIABHN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044852662 570635991 /nfs/dbraw/zinc/63/59/91/570635991.db2.gz FBJAGSYWWFKKFS-HXUWFJFHSA-N 0 3 380.532 4.424 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)COc3ccccc3C)CC2)c1 ZINC000044852550 570636281 /nfs/dbraw/zinc/63/62/81/570636281.db2.gz XJASJBMDSZIXFG-HXUWFJFHSA-N 0 3 380.532 4.099 40 0 GIABHN CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044882598 570638478 /nfs/dbraw/zinc/63/84/78/570638478.db2.gz KDCAHZJQWDARMP-HXUWFJFHSA-N 0 3 384.495 4.141 40 0 GIABHN O=C(NCCCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044906245 570641580 /nfs/dbraw/zinc/64/15/80/570641580.db2.gz UNSIRBFAJMSMCW-LJQANCHMSA-N 0 3 388.914 4.440 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1C ZINC000044911655 570642387 /nfs/dbraw/zinc/64/23/87/570642387.db2.gz NJZZYCBDLLBAFS-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044912071 570642963 /nfs/dbraw/zinc/64/29/63/570642963.db2.gz QPCOKDIFLWXLTD-LJQANCHMSA-N 0 3 398.478 4.162 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c1 ZINC000013563794 570656733 /nfs/dbraw/zinc/65/67/33/570656733.db2.gz MIIQIGDVJVVLPG-FSSWDIPSSA-N 0 3 384.435 4.046 40 0 GIABHN COc1ccc(CN(CCCn2ccnc2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013991148 570868476 /nfs/dbraw/zinc/86/84/76/570868476.db2.gz CDKUUIMEGRHNQP-UHFFFAOYSA-N 0 3 393.487 4.021 40 0 GIABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)Nc4ccccc4)on3)C2)c1 ZINC000072352768 570881515 /nfs/dbraw/zinc/88/15/15/570881515.db2.gz BCVGBYLMBUQLPS-SFHVURJKSA-N 0 3 391.471 4.315 40 0 GIABHN CCCN1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000005082111 570897773 /nfs/dbraw/zinc/89/77/73/570897773.db2.gz HXVWWPSVYMTSQW-LJQANCHMSA-N 0 3 385.504 4.273 40 0 GIABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000585100272 570924103 /nfs/dbraw/zinc/92/41/03/570924103.db2.gz JFPXLCRDKZOTKW-XMMPIXPASA-N 0 3 378.516 4.243 40 0 GIABHN Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4cccnc4)[C@@H]3C2)c1 ZINC000585107848 570939718 /nfs/dbraw/zinc/93/97/18/570939718.db2.gz RZRPNXJECOPAAP-WWNPGLIZSA-N 0 3 377.532 4.071 40 0 GIABHN O=C(N1CCC(N2CCc3ccccc3C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000408613741 231081116 /nfs/dbraw/zinc/08/11/16/231081116.db2.gz ZWIVNUGKAFDUMR-UHFFFAOYSA-N 0 3 378.560 4.252 40 0 GIABHN Cc1ccc(C2(CN3CCC(NC(=O)C4CCC(=O)CC4)CC3)CCCC2)cc1 ZINC000019208507 207105665 /nfs/dbraw/zinc/10/56/65/207105665.db2.gz PHCGOLBEOCDBKN-UHFFFAOYSA-N 0 3 396.575 4.147 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3cc4ccccc4nc3N(C)C)CC2)cc1 ZINC000019208586 207106308 /nfs/dbraw/zinc/10/63/08/207106308.db2.gz NLZNDSSQRHBJCE-UHFFFAOYSA-N 0 3 375.516 4.093 40 0 GIABHN NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019374145 207119964 /nfs/dbraw/zinc/11/99/64/207119964.db2.gz DURHKMYKZKNRDK-RUZDIDTESA-N 0 3 385.511 4.059 40 0 GIABHN CCc1oc2ccccc2c1CN1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 ZINC000019521354 207126851 /nfs/dbraw/zinc/12/68/51/207126851.db2.gz VMRMIDRFIAAJJH-XMMPIXPASA-N 0 3 391.515 4.480 40 0 GIABHN COc1cccc(CN2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000019446694 207121165 /nfs/dbraw/zinc/12/11/65/207121165.db2.gz ZNYUIXOYHNTDNP-DEOSSOPVSA-N 0 3 395.547 4.206 40 0 GIABHN Cc1noc2nc(C3CCN(Cc4ccncc4)CC3)cc(C(F)(F)F)c12 ZINC000019565096 207136873 /nfs/dbraw/zinc/13/68/73/207136873.db2.gz HVFQVBCOJRHYEQ-UHFFFAOYSA-N 0 3 376.382 4.325 40 0 GIABHN CN(C)c1cc([C@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019584443 207139619 /nfs/dbraw/zinc/13/96/19/207139619.db2.gz DCWJISNMXNKVGS-IBGZPJMESA-N 0 3 391.494 4.123 40 0 GIABHN CNc1cc(C2CCN(Cc3ccc(F)cc3)CC2)nc(-c2ccncc2)n1 ZINC000019592295 207143730 /nfs/dbraw/zinc/14/37/30/207143730.db2.gz GEOMUKIGBGBWAC-UHFFFAOYSA-N 0 3 377.467 4.099 40 0 GIABHN Cc1cc(C)n(C2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)n1 ZINC000019659095 207145656 /nfs/dbraw/zinc/14/56/56/207145656.db2.gz CFONOVNHHRVENW-UHFFFAOYSA-N 0 3 381.499 4.279 40 0 GIABHN Cc1ccc(OCCN(C)C)c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1 ZINC000019715627 207154633 /nfs/dbraw/zinc/15/46/33/207154633.db2.gz XOXBALSKFCHDEH-INIZCTEOSA-N 0 3 399.535 4.327 40 0 GIABHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC(C)(C)N3CCCCC3)c2)n1 ZINC000019718336 207155498 /nfs/dbraw/zinc/15/54/98/207155498.db2.gz JWHHAWVXIHMRQO-UHFFFAOYSA-N 0 3 388.943 4.137 40 0 GIABHN CCn1ncc(CN2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c1C ZINC000072353352 208000740 /nfs/dbraw/zinc/00/07/40/208000740.db2.gz XPGASFOYWIJKOK-IBGZPJMESA-N 0 3 390.535 4.433 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377432 208007530 /nfs/dbraw/zinc/00/75/30/208007530.db2.gz FDVBGLOOTUJZKR-SFHVURJKSA-N 0 3 375.476 4.003 40 0 GIABHN Clc1ccccc1OCCc1cc([C@H]2CCN(Cc3cccnc3)C2)n[nH]1 ZINC000072378126 208010654 /nfs/dbraw/zinc/01/06/54/208010654.db2.gz NFIVVNNHTDIBSQ-KRWDZBQOSA-N 0 3 382.895 4.069 40 0 GIABHN Clc1ccccc1OCCc1cc([C@H]2CCN(Cc3cccnc3)C2)[nH]n1 ZINC000072378126 208010659 /nfs/dbraw/zinc/01/06/59/208010659.db2.gz NFIVVNNHTDIBSQ-KRWDZBQOSA-N 0 3 382.895 4.069 40 0 GIABHN C[C@H](CN1CCNC(=O)[C@H](Cc2cccc(-c3cccnc3)c2)C1)c1ccccc1 ZINC000072388970 208012316 /nfs/dbraw/zinc/01/23/16/208012316.db2.gz FKLPLGKKHSPEQE-CJFMBICVSA-N 0 3 399.538 4.143 40 0 GIABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1cccnc1)CC2 ZINC000096052535 208255747 /nfs/dbraw/zinc/25/57/47/208255747.db2.gz ZAHOGPCIVPBTTF-UHFFFAOYSA-N 0 3 383.495 4.162 40 0 GIABHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccc(C)s1)CC2 ZINC000096061351 208260044 /nfs/dbraw/zinc/26/00/44/208260044.db2.gz CRBBETIQHLSYSR-NRFANRHFSA-N 0 3 398.572 4.054 40 0 GIABHN O=C(CCc1cccnc1)N1CCC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096214584 208287173 /nfs/dbraw/zinc/28/71/73/208287173.db2.gz IHCMLMJMMFJIGW-HSZRJFAPSA-N 0 3 397.950 4.325 40 0 GIABHN Clc1cccc(CN2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244344 208296509 /nfs/dbraw/zinc/29/65/09/208296509.db2.gz CCFWFNUMAXDMNM-HSZRJFAPSA-N 0 3 391.902 4.471 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 ZINC000101027541 208385447 /nfs/dbraw/zinc/38/54/47/208385447.db2.gz XHLBOAOLNLRFDC-VJBWXMMDSA-N 0 3 398.462 4.355 40 0 GIABHN COc1cccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306136316 209104484 /nfs/dbraw/zinc/10/44/84/209104484.db2.gz PPYQHLZITCCUKM-NRFANRHFSA-N 0 3 399.498 4.180 40 0 GIABHN Cc1ccsc1CN1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306138401 209103199 /nfs/dbraw/zinc/10/31/99/209103199.db2.gz RWTGKEQPJXHOOJ-JOCHJYFZSA-N 0 3 376.529 4.010 40 0 GIABHN COc1cccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)c1 ZINC000306130457 209099802 /nfs/dbraw/zinc/09/98/02/209099802.db2.gz JGZGICXILAOEBD-DEOSSOPVSA-N 0 3 389.499 4.042 40 0 GIABHN CCn1cc(CN2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257208747 209056077 /nfs/dbraw/zinc/05/60/77/209056077.db2.gz BNMADOJHAJXPRL-RBBKRZOGSA-N 0 3 395.547 4.434 40 0 GIABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(Cc2ccccc2)c1 ZINC000257243843 209059472 /nfs/dbraw/zinc/05/94/72/209059472.db2.gz IIULCTPDGDLRLY-ONTNHIFESA-N 0 3 389.543 4.150 40 0 GIABHN CCn1ncc(CN2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)c1C ZINC000257342221 209078913 /nfs/dbraw/zinc/07/89/13/209078913.db2.gz ZNQBXYKKQITBFB-UHFFFAOYSA-N 0 3 390.535 4.433 40 0 GIABHN CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072350509 222238176 /nfs/dbraw/zinc/23/81/76/222238176.db2.gz KOBPNLQWCRETHU-SFHVURJKSA-N 0 3 379.483 4.304 40 0 GIABHN COc1ccc(Cl)cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408612274 533835179 /nfs/dbraw/zinc/83/51/79/533835179.db2.gz VCQSOPLQAMHOHC-UHFFFAOYSA-N 0 3 384.907 4.012 40 0 GIABHN CCN(CC)CCOC(=O)[C@@H](C)c1cccc2c(=O)cc(-c3ccccc3)oc21 ZINC000005807617 520691386 /nfs/dbraw/zinc/69/13/86/520691386.db2.gz GXPADXQOJKKKOW-KRWDZBQOSA-N 0 3 393.483 4.449 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)c1 ZINC000005254284 570251853 /nfs/dbraw/zinc/25/18/53/570251853.db2.gz ZBLYLOUOOPRVGQ-ZRBLBEILSA-N 0 3 398.462 4.355 40 0 GIABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288235 570259101 /nfs/dbraw/zinc/25/91/01/570259101.db2.gz ZBAPCSCHHPKZJX-JLMWRMLUSA-N 0 3 395.971 4.387 40 0 GIABHN O=C(C[C@@H]1CCNC[C@@H]1F)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938968 570398366 /nfs/dbraw/zinc/39/83/66/570398366.db2.gz DGEHNJCIHSVLCF-APTRMMRNSA-N 0 3 376.475 4.383 40 0 GIABHN O=C(C[C@H]1CCNC[C@@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938980 570398484 /nfs/dbraw/zinc/39/84/84/570398484.db2.gz PHAQBQSJYZAIJZ-ZBFHGGJFSA-N 0 3 391.487 4.027 40 0 GIABHN O=C(C[C@@H]1CCNC[C@H]1F)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938970 570398524 /nfs/dbraw/zinc/39/85/24/570398524.db2.gz DGEHNJCIHSVLCF-KWOQKUFVSA-N 0 3 376.475 4.383 40 0 GIABHN Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039755054 570447920 /nfs/dbraw/zinc/44/79/20/570447920.db2.gz OFHCIAMJFFHMDY-UHFFFAOYSA-N 0 3 386.536 4.255 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)c1 ZINC000039757949 570449314 /nfs/dbraw/zinc/44/93/14/570449314.db2.gz ZLPJKNJNSNIDNV-UHFFFAOYSA-N 0 3 380.532 4.311 40 0 GIABHN O=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000006060873 570465425 /nfs/dbraw/zinc/46/54/25/570465425.db2.gz ZABXKTGGHOTGBI-ZTCOLXNVSA-N 0 3 386.539 4.175 40 0 GIABHN COc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000223677370 570478409 /nfs/dbraw/zinc/47/84/09/570478409.db2.gz PTMKXOGLJCEGNO-UHFFFAOYSA-N 0 3 382.504 4.048 40 0 GIABHN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc(O)cc3)CC2)c1 ZINC000257243619 570487775 /nfs/dbraw/zinc/48/77/75/570487775.db2.gz IHUPMXVRXJJMFJ-NRFANRHFSA-N 0 3 375.896 4.150 40 0 GIABHN Cc1cc(C)cc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000224088832 570497970 /nfs/dbraw/zinc/49/79/70/570497970.db2.gz NFOBLHIYDJXPCH-UHFFFAOYSA-N 0 3 380.532 4.344 40 0 GIABHN CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000224526060 570516275 /nfs/dbraw/zinc/51/62/75/570516275.db2.gz WPBMEGCJTAQNQZ-UHFFFAOYSA-N 0 3 380.532 4.046 40 0 GIABHN CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836319 570533207 /nfs/dbraw/zinc/53/32/07/570533207.db2.gz JQMUOSGSIPVRRB-IBGZPJMESA-N 0 3 380.532 4.319 40 0 GIABHN Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224840298 570533412 /nfs/dbraw/zinc/53/34/12/570533412.db2.gz RTQYKOXPGJQMAE-FQEVSTJZSA-N 0 3 380.532 4.373 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000225163796 570553219 /nfs/dbraw/zinc/55/32/19/570553219.db2.gz HBMVPEDXFNKXFM-UHFFFAOYSA-N 0 3 376.859 4.133 40 0 GIABHN CN(Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036741251 570569189 /nfs/dbraw/zinc/56/91/89/570569189.db2.gz YYKYFVVGULHFSQ-QFIPXVFZSA-N 0 3 380.532 4.177 40 0 GIABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1Cl ZINC000039964130 570594609 /nfs/dbraw/zinc/59/46/09/570594609.db2.gz UETWOSUWYKWRHF-GOSISDBHSA-N 0 3 394.862 4.077 40 0 GIABHN CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714846 570607931 /nfs/dbraw/zinc/60/79/31/570607931.db2.gz NOOYQPZFNVJIFF-AUSIDOKSSA-N 0 3 388.552 4.475 40 0 GIABHN Cc1cc(C)cc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225771875 570615786 /nfs/dbraw/zinc/61/57/86/570615786.db2.gz BUXWRZNFLBFXIX-UHFFFAOYSA-N 0 3 383.561 4.263 40 0 GIABHN COc1ccc(CN(Cc2oc3ccc(C)cc3c2C)C[C@H](C)O)cc1OC ZINC000012185607 570620373 /nfs/dbraw/zinc/62/03/73/570620373.db2.gz IFTCNTNNIMDVRJ-INIZCTEOSA-N 0 3 383.488 4.450 40 0 GIABHN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2cccc3ccccc32)n1 ZINC000012185934 570620885 /nfs/dbraw/zinc/62/08/85/570620885.db2.gz KQSXBJBFQACXKI-JOCHJYFZSA-N 0 3 389.499 4.309 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012219346 570627152 /nfs/dbraw/zinc/62/71/52/570627152.db2.gz CVVJZVZWYOATCE-OBHPCNEJSA-N 0 3 383.446 4.345 40 0 GIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1)NC12CC3CC(CC(C3)C1)C2 ZINC000004411573 570629318 /nfs/dbraw/zinc/62/93/18/570629318.db2.gz MKOKTVVOTAYKHE-UKBGNOBASA-N 0 3 397.563 4.433 40 0 GIABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293347 570633853 /nfs/dbraw/zinc/63/38/53/570633853.db2.gz GKHFHKBFACPTQC-WOJBJXKFSA-N 0 3 387.907 4.033 40 0 GIABHN CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000044851583 570636247 /nfs/dbraw/zinc/63/62/47/570636247.db2.gz PPFJFBMVIILTDK-UHFFFAOYSA-N 0 3 394.559 4.436 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)COc3ccc(C)cc3)CC2)cc1 ZINC000044852861 570636265 /nfs/dbraw/zinc/63/62/65/570636265.db2.gz MCTOMHDNJBEIPG-HXUWFJFHSA-N 0 3 380.532 4.099 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000044912089 570642939 /nfs/dbraw/zinc/64/29/39/570642939.db2.gz OTRNPDMJDZHMCC-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918281 570643352 /nfs/dbraw/zinc/64/33/52/570643352.db2.gz BFGXPLDWHHYHQE-NQIIRXRSSA-N 0 3 396.506 4.456 40 0 GIABHN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044919948 570643387 /nfs/dbraw/zinc/64/33/87/570643387.db2.gz CTYMRIQNGDGGKM-LJQANCHMSA-N 0 3 386.923 4.267 40 0 GIABHN CCOCc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC ZINC000012329001 570643727 /nfs/dbraw/zinc/64/37/27/570643727.db2.gz VPPNDIONRXIOFZ-RIKCKFAHSA-N 0 3 399.506 4.385 40 0 GIABHN CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(OC)cc1 ZINC000044936273 570644226 /nfs/dbraw/zinc/64/42/26/570644226.db2.gz NGMKEGIXCROBPW-QHCPKHFHSA-N 0 3 380.532 4.483 40 0 GIABHN Cc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005625983 570665532 /nfs/dbraw/zinc/66/55/32/570665532.db2.gz IGZIFJNSZDITIO-UHFFFAOYSA-N 0 3 382.895 4.343 40 0 GIABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102735862 570720734 /nfs/dbraw/zinc/72/07/34/570720734.db2.gz MMPNJVSWEOJWGD-IPMKNSEASA-N 0 3 384.863 4.209 40 0 GIABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccccc2)nc1 ZINC000257230564 570765154 /nfs/dbraw/zinc/76/51/54/570765154.db2.gz GCWMQIFYFFXZEE-ONTNHIFESA-N 0 3 389.543 4.150 40 0 GIABHN Cc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000072330397 570879491 /nfs/dbraw/zinc/87/94/91/570879491.db2.gz OVKDWHDBSHTJCI-OFNKIYASSA-N 0 3 392.547 4.045 40 0 GIABHN Cc1ccc(N2C(=N)SC(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000004539865 570913490 /nfs/dbraw/zinc/91/34/90/570913490.db2.gz YNUHLAVXVKSCMS-OAHLLOKOSA-N 0 3 375.291 4.383 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100555 570924760 /nfs/dbraw/zinc/92/47/60/570924760.db2.gz NHNBLCAPIJHUMT-QHCPKHFHSA-N 0 3 382.479 4.192 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100555 570924763 /nfs/dbraw/zinc/92/47/63/570924763.db2.gz NHNBLCAPIJHUMT-QHCPKHFHSA-N 0 3 382.479 4.192 40 0 GIABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C)cc1Br ZINC000008254557 291136868 /nfs/dbraw/zinc/13/68/68/291136868.db2.gz KIIBPNLBELDIBA-SOUVJXGZSA-N 0 3 396.398 4.164 40 0 biogenic,in-vitro GIABHN Cc1nc(NCc2ccccc2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000328980399 206239137 /nfs/dbraw/zinc/23/91/37/206239137.db2.gz GMLVIHGPOTVFHM-UHFFFAOYSA-N 0 3 388.515 4.187 40 0 GIABHN CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C)n1 ZINC000329036927 206242266 /nfs/dbraw/zinc/24/22/66/206242266.db2.gz RLFQLEFGOODYJD-GFCCVEGCSA-N 0 3 375.314 4.321 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)c1 ZINC000013786747 207000053 /nfs/dbraw/zinc/00/00/53/207000053.db2.gz ZBLYLOUOOPRVGQ-VABKMULXSA-N 0 3 398.462 4.355 40 0 GIABHN CC(C)Oc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000019454243 207123763 /nfs/dbraw/zinc/12/37/63/207123763.db2.gz NWNXPCQZTJOOQX-UHFFFAOYSA-N 0 3 395.547 4.451 40 0 GIABHN CCOCc1cc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)ccc1OC ZINC000019531141 207130411 /nfs/dbraw/zinc/13/04/11/207130411.db2.gz MRXUGFQSTBZQLT-GOSISDBHSA-N 0 3 379.504 4.488 40 0 GIABHN CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)on1 ZINC000019452987 207121848 /nfs/dbraw/zinc/12/18/48/207121848.db2.gz WLHXNGRDESKWOQ-DWLFOUALSA-N 0 3 381.520 4.281 40 0 GIABHN COc1cccc2ccc(CN3CC[C@H](c4nc(-c5cccs5)no4)C3)nc21 ZINC000019568409 207135981 /nfs/dbraw/zinc/13/59/81/207135981.db2.gz VXFQPCJUECEKSY-HNNXBMFYSA-N 0 3 392.484 4.344 40 0 GIABHN CCOCc1cc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)ccc1OC ZINC000019531142 207131523 /nfs/dbraw/zinc/13/15/23/207131523.db2.gz MRXUGFQSTBZQLT-SFHVURJKSA-N 0 3 379.504 4.488 40 0 GIABHN COc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)c1OC ZINC000019557988 207131793 /nfs/dbraw/zinc/13/17/93/207131793.db2.gz OMFLYZHFUFNUTJ-GOSISDBHSA-N 0 3 396.491 4.426 40 0 GIABHN COc1ccc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)cc1OC ZINC000019557938 207131879 /nfs/dbraw/zinc/13/18/79/207131879.db2.gz FYAWMAFCFFDIMY-SFHVURJKSA-N 0 3 396.491 4.426 40 0 GIABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cc(C2CC2)on1 ZINC000019590814 207141311 /nfs/dbraw/zinc/14/13/11/207141311.db2.gz RLNXNAKRMOPUNK-DWLFOUALSA-N 0 3 397.494 4.174 40 0 GIABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccc2ncccc21 ZINC000019589264 207142628 /nfs/dbraw/zinc/14/26/28/207142628.db2.gz GDKYNARGIVNZOE-YMPZKCBVSA-N 0 3 389.474 4.076 40 0 GIABHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(Cc2cccnc2N(C)C)C1 ZINC000019715728 207154194 /nfs/dbraw/zinc/15/41/94/207154194.db2.gz KIHWBYBKYBMJGD-LJQANCHMSA-N 0 3 377.536 4.458 40 0 GIABHN COc1c(CN2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(C)nn1C ZINC000019715714 207154538 /nfs/dbraw/zinc/15/45/38/207154538.db2.gz PUKBXHHZDCAKSG-KRWDZBQOSA-N 0 3 381.524 4.047 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1 ZINC000072353359 208000277 /nfs/dbraw/zinc/00/02/77/208000277.db2.gz PWTSGNCPPWRWIJ-LJQANCHMSA-N 0 3 390.535 4.433 40 0 GIABHN CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072358196 208002633 /nfs/dbraw/zinc/00/26/33/208002633.db2.gz YHWKFEWQXXFKHX-HSZRJFAPSA-N 0 3 397.950 4.474 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376071 208010701 /nfs/dbraw/zinc/01/07/01/208010701.db2.gz KIKGCPHUMPFHHP-IBGZPJMESA-N 0 3 376.508 4.125 40 0 GIABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096052632 208255068 /nfs/dbraw/zinc/25/50/68/208255068.db2.gz PEYCUHDHWAMSMY-FQEVSTJZSA-N 0 3 377.532 4.017 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052743 208255831 /nfs/dbraw/zinc/25/58/31/208255831.db2.gz JLNQAFUTWRKYSQ-LJQANCHMSA-N 0 3 378.516 4.360 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NCC1CC1 ZINC000096052678 208256050 /nfs/dbraw/zinc/25/60/50/208256050.db2.gz BOBIZXXEUTYWIB-FQEVSTJZSA-N 0 3 389.543 4.019 40 0 GIABHN CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053147 208257266 /nfs/dbraw/zinc/25/72/66/208257266.db2.gz PJUBIRHBTMTABH-GOSISDBHSA-N 0 3 384.545 4.127 40 0 GIABHN COc1ccccc1CNC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171404 208451658 /nfs/dbraw/zinc/45/16/58/208451658.db2.gz DIQGCMHPUIJRFW-SFTDATJTSA-N 0 3 391.515 4.094 40 0 biogenic,in-vitro GIABHN Cc1ccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)s1 ZINC000306135697 209104589 /nfs/dbraw/zinc/10/45/89/209104589.db2.gz OXZOBBRHDDVVKM-JOCHJYFZSA-N 0 3 376.529 4.010 40 0 GIABHN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306135867 209104159 /nfs/dbraw/zinc/10/41/59/209104159.db2.gz PDHWPWCQPBOVID-HSZRJFAPSA-N 0 3 377.463 4.173 40 0 GIABHN c1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cs1 ZINC000306135096 209103362 /nfs/dbraw/zinc/10/33/62/209103362.db2.gz OHQLMGUUACGELY-LJQANCHMSA-N 0 3 375.501 4.232 40 0 GIABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOCC1CCCC1 ZINC000248016041 209030750 /nfs/dbraw/zinc/03/07/50/209030750.db2.gz HPYPNRYCXMFEPH-IBGZPJMESA-N 0 3 378.582 4.420 40 0 GIABHN Cc1noc(C)c1-c1cc(C2CCN(Cc3ccncc3C)CC2)nc(C)n1 ZINC000257279307 209065855 /nfs/dbraw/zinc/06/58/55/209065855.db2.gz OGAAWQDFASFZDL-UHFFFAOYSA-N 0 3 377.492 4.140 40 0 GIABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccs2)C1 ZINC000072344789 222232726 /nfs/dbraw/zinc/23/27/26/222232726.db2.gz LJRHYITURAQAQH-GOSISDBHSA-N 0 3 394.544 4.123 40 0 GIABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585285970 570255383 /nfs/dbraw/zinc/25/53/83/570255383.db2.gz GAXRBSGJPHZOKG-ZWDAVXSWSA-N 0 3 397.506 4.012 40 0 GIABHN O=C(C[C@@H]1CCNC[C@@H]1F)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938971 570398515 /nfs/dbraw/zinc/39/85/15/570398515.db2.gz DGEHNJCIHSVLCF-NGYIFUPDSA-N 0 3 376.475 4.383 40 0 GIABHN COC(=O)c1cn(C(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc12 ZINC000222615690 570417065 /nfs/dbraw/zinc/41/70/65/570417065.db2.gz MGNLVFAWQMVQNX-UHFFFAOYSA-N 0 3 390.483 4.348 40 0 GIABHN COc1cc(CNC(=O)C2CCN(Cc3ccccc3)CC2)ccc1OC(C)C ZINC000039760138 570445697 /nfs/dbraw/zinc/44/56/97/570445697.db2.gz GKUQSTOTXRDYAR-UHFFFAOYSA-N 0 3 396.531 4.011 40 0 GIABHN O=C(NCCSCc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000039753595 570447578 /nfs/dbraw/zinc/44/75/78/570447578.db2.gz XJZARHXUTZZSFI-UHFFFAOYSA-N 0 3 386.536 4.087 40 0 GIABHN O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039748670 570447582 /nfs/dbraw/zinc/44/75/82/570447582.db2.gz XAWGKSICJUPQKP-UHFFFAOYSA-N 0 3 388.914 4.440 40 0 GIABHN O=C(NCCOc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414542 570464952 /nfs/dbraw/zinc/46/49/52/570464952.db2.gz WLFGTMQKIKECLT-UHFFFAOYSA-N 0 3 386.495 4.054 40 0 GIABHN COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000035310746 570465629 /nfs/dbraw/zinc/46/56/29/570465629.db2.gz MWUPPZLEIZQOLF-ALOPSCKCSA-N 0 3 387.574 4.239 40 0 GIABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1C ZINC000006382275 570478604 /nfs/dbraw/zinc/47/86/04/570478604.db2.gz XTIDJHFRSNESGD-DEOSSOPVSA-N 0 3 383.532 4.041 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3cc(C)cc(C)c3)CC2)cc1 ZINC000224094528 570498387 /nfs/dbraw/zinc/49/83/87/570498387.db2.gz RTOUYCZAYDUFEM-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN O=C(NCCSC1CCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000224795501 570531400 /nfs/dbraw/zinc/53/14/00/570531400.db2.gz TWYORCRDVPGBOL-QGZVFWFLSA-N 0 3 380.985 4.344 40 0 GIABHN COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 ZINC000035290325 570551175 /nfs/dbraw/zinc/55/11/75/570551175.db2.gz OVEGSTOOOHBNLL-SEJPIABJSA-N 0 3 378.516 4.319 40 0 GIABHN CC1CCN(c2ncc(CNCCc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000035316540 570551636 /nfs/dbraw/zinc/55/16/36/570551636.db2.gz MUCCMQTVDHVPKF-UHFFFAOYSA-N 0 3 378.442 4.064 40 0 GIABHN O=C(NCCSCc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038837053 570587161 /nfs/dbraw/zinc/58/71/61/570587161.db2.gz BCNWZWNUPLSFNS-FQEVSTJZSA-N 0 3 386.536 4.087 40 0 GIABHN CSc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 ZINC000225625424 570595968 /nfs/dbraw/zinc/59/59/68/570595968.db2.gz NGSRZVCUHGOQTI-UHFFFAOYSA-N 0 3 396.541 4.071 40 0 GIABHN CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225688569 570603281 /nfs/dbraw/zinc/60/32/81/570603281.db2.gz QQKJEWWJLHAKRW-JOCHJYFZSA-N 0 3 376.541 4.331 40 0 GIABHN CCSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 ZINC000225697751 570604986 /nfs/dbraw/zinc/60/49/86/570604986.db2.gz DZKYVRHZTDMTTP-UHFFFAOYSA-N 0 3 376.551 4.134 40 0 GIABHN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225698920 570605048 /nfs/dbraw/zinc/60/50/48/570605048.db2.gz ZQQKSBLKFARXBS-QFIPXVFZSA-N 0 3 376.541 4.475 40 0 GIABHN Cc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000225771905 570615870 /nfs/dbraw/zinc/61/58/70/570615870.db2.gz HVLINTKLNMSPLO-UHFFFAOYSA-N 0 3 383.561 4.263 40 0 GIABHN COc1ccc([C@H](O)CN2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1 ZINC000012188028 570621784 /nfs/dbraw/zinc/62/17/84/570621784.db2.gz MJJMCXHIXQXQBO-JOCHJYFZSA-N 0 3 379.500 4.286 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3cccc(OCc4cccnc4)c3)CC2)cc1 ZINC000012293091 570633641 /nfs/dbraw/zinc/63/36/41/570633641.db2.gz RZTIRMSVSYACDO-UHFFFAOYSA-N 0 3 388.511 4.453 40 0 GIABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293519 570633657 /nfs/dbraw/zinc/63/36/57/570633657.db2.gz ZHVDRMZGFHRTSL-GOTSBHOMSA-N 0 3 395.543 4.304 40 0 GIABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293363 570633664 /nfs/dbraw/zinc/63/36/64/570633664.db2.gz MBPVCSLHIRXDDK-DHIUTWEWSA-N 0 3 389.495 4.224 40 0 GIABHN Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000044852857 570636159 /nfs/dbraw/zinc/63/61/59/570636159.db2.gz WTRFPUKJOYYXRH-FQEVSTJZSA-N 0 3 380.532 4.099 40 0 GIABHN CCOc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044851417 570636172 /nfs/dbraw/zinc/63/61/72/570636172.db2.gz SHXPYMQLIOVQAV-NRFANRHFSA-N 0 3 398.522 4.185 40 0 GIABHN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933145 570643841 /nfs/dbraw/zinc/64/38/41/570643841.db2.gz TULIAJBVIRCGBA-VQIMIIECSA-N 0 3 386.923 4.438 40 0 GIABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936229 570644306 /nfs/dbraw/zinc/64/43/06/570644306.db2.gz ARYQIIRDHCXNGX-DENIHFKCSA-N 0 3 384.495 4.314 40 0 GIABHN CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000012362778 570646301 /nfs/dbraw/zinc/64/63/01/570646301.db2.gz OKYBAYHMFJGHKB-QGZVFWFLSA-N 0 3 391.968 4.305 40 0 GIABHN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625710 570665370 /nfs/dbraw/zinc/66/53/70/570665370.db2.gz UTQAWKRUTNWPHS-PBHICJAKSA-N 0 3 388.943 4.091 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000013770405 570677172 /nfs/dbraw/zinc/67/71/72/570677172.db2.gz NTWYOLBMNRGCRN-VJBWXMMDSA-N 0 3 398.462 4.355 40 0 GIABHN O=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)C[C@@H]1CN1CCCC1 ZINC000012650999 570695105 /nfs/dbraw/zinc/69/51/05/570695105.db2.gz RWSANADENYLJKX-DHIUTWEWSA-N 0 3 394.515 4.079 40 0 GIABHN COc1ccc(CN(Cc2ccnc3ccccc23)C[C@@H]2CCCO2)cc1OC ZINC000013994191 570869047 /nfs/dbraw/zinc/86/90/47/570869047.db2.gz TTXUMTSSJQMSKE-FQEVSTJZSA-N 0 3 392.499 4.433 40 0 GIABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 ZINC000585104798 570933750 /nfs/dbraw/zinc/93/37/50/570933750.db2.gz UCTLJIUXJAMCEK-SQJMNOBHSA-N 0 3 392.543 4.116 40 0 GIABHN COc1cccc2cc(CN3[C@@H](c4ccccc4)C[C@@H]4NC(=O)CCC[C@H]43)oc21 ZINC000019713926 818603236 /nfs/dbraw/zinc/60/32/36/818603236.db2.gz FXGYXSFKVSRMLT-PWRODBHTSA-N 0 3 390.483 4.426 40 0 GIABHN O=C(N1CCC[C@@H](N2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000408604731 231076162 /nfs/dbraw/zinc/07/61/62/231076162.db2.gz DWSJNMYCEHPLMS-HPIWNNMISA-N 0 3 378.560 4.252 40 0 GIABHN COc1ccc(N(CCN(C)C)C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001758894 206391715 /nfs/dbraw/zinc/39/17/15/206391715.db2.gz XXEULDXRJCGDQD-UHFFFAOYSA-N 0 3 388.511 4.422 40 0 GIABHN Cc1ccc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)s1 ZINC000306141946 209105886 /nfs/dbraw/zinc/10/58/86/209105886.db2.gz WLBNUGDNTCPGND-GOSISDBHSA-N 0 3 375.501 4.151 40 0 GIABHN COc1ccccc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019082073 207102414 /nfs/dbraw/zinc/10/24/14/207102414.db2.gz WVVUEROKQQGUQV-JOCHJYFZSA-N 0 3 395.547 4.206 40 0 GIABHN O=C(C[C@H](NCCc1ccccn1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203782 207105480 /nfs/dbraw/zinc/10/54/80/207105480.db2.gz GULTVHDJZFMIOQ-QFIPXVFZSA-N 0 3 398.462 4.334 40 0 GIABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 ZINC000019372277 207119618 /nfs/dbraw/zinc/11/96/18/207119618.db2.gz TUSBUPOWFIPSHJ-FKBYEOEOSA-N 0 3 380.557 4.365 40 0 GIABHN CC(C)n1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)cn1 ZINC000019454924 207123998 /nfs/dbraw/zinc/12/39/98/207123998.db2.gz WGBFTYRCDIOHLS-BDTNDASRSA-N 0 3 398.526 4.086 40 0 GIABHN COc1ccc([C@H]2CCCN2C(=O)[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000019560175 207133671 /nfs/dbraw/zinc/13/36/71/207133671.db2.gz FYQCRGMKAWFBIM-OFNKIYASSA-N 0 3 394.515 4.204 40 0 GIABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019591342 207140911 /nfs/dbraw/zinc/14/09/11/207140911.db2.gz SXUIWUAXGMHBGE-AREMUKBSSA-N 0 3 399.538 4.320 40 0 GIABHN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC(C)(C)CN3CCCCC3)c2)n1 ZINC000019718329 207155157 /nfs/dbraw/zinc/15/51/57/207155157.db2.gz XGXGRWAQLSMICW-UHFFFAOYSA-N 0 3 388.943 4.137 40 0 GIABHN O=S(=O)(NCCCN1CCCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000030753005 207373929 /nfs/dbraw/zinc/37/39/29/207373929.db2.gz AKOOABBWEFECLG-UHFFFAOYSA-N 0 3 388.533 4.023 40 0 GIABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000072352443 208001741 /nfs/dbraw/zinc/00/17/41/208001741.db2.gz JRBNLKYNXXOWFS-HNNXBMFYSA-N 0 3 398.503 4.268 40 0 GIABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cnc(C)s1 ZINC000072370323 208006127 /nfs/dbraw/zinc/00/61/27/208006127.db2.gz FQQHTJTYIDVJPX-CQSZACIVSA-N 0 3 385.558 4.233 40 0 GIABHN O=C(Nc1ccc(F)cc1)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096046629 208255250 /nfs/dbraw/zinc/25/52/50/208255250.db2.gz WOIGBZOJMHMNEK-UHFFFAOYSA-N 0 3 385.458 4.485 40 0 GIABHN COc1cccc(-c2ccc3nc(C4CCN(Cc5ccncc5)CC4)nn3c2)c1 ZINC000096038229 208256839 /nfs/dbraw/zinc/25/68/39/208256839.db2.gz KIUJAHFIRBTNDS-UHFFFAOYSA-N 0 3 399.498 4.180 40 0 GIABHN CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053256 208259699 /nfs/dbraw/zinc/25/96/99/208259699.db2.gz JZKXRUGGLBOYMN-QGZVFWFLSA-N 0 3 384.545 4.094 40 0 GIABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000096053052 208259812 /nfs/dbraw/zinc/25/98/12/208259812.db2.gz VNGWBKKZMQIKHU-NRFANRHFSA-N 0 3 391.559 4.361 40 0 GIABHN O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(CCCc3ccccc3)C2)C1 ZINC000096202438 208286907 /nfs/dbraw/zinc/28/69/07/208286907.db2.gz RBYRDKRZUJBFBK-UHFFFAOYSA-N 0 3 382.935 4.050 40 0 GIABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1OC ZINC000306139457 209105684 /nfs/dbraw/zinc/10/56/84/209105684.db2.gz SXTUUMTZOXGVED-QGZVFWFLSA-N 0 3 392.503 4.145 40 0 GIABHN Cc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 ZINC000306136659 209104435 /nfs/dbraw/zinc/10/44/35/209104435.db2.gz PZJDCOZKEAXJCK-HSZRJFAPSA-N 0 3 377.463 4.173 40 0 GIABHN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(CC4CC4)C3)nn2c1 ZINC000306132112 209101932 /nfs/dbraw/zinc/10/19/32/209101932.db2.gz KYSVSRYEMAUVHB-QGZVFWFLSA-N 0 3 380.467 4.133 40 0 GIABHN Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccccc4)CC3)s2)cc1 ZINC000225234862 208945595 /nfs/dbraw/zinc/94/55/95/208945595.db2.gz QTYUZXWSIQMTLD-UHFFFAOYSA-N 0 3 392.528 4.364 40 0 GIABHN Fc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306125955 209097775 /nfs/dbraw/zinc/09/77/75/209097775.db2.gz DGYFWGMDZSOSQI-QFIPXVFZSA-N 0 3 381.426 4.003 40 0 GIABHN COc1cc(C)ccc1CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257249146 209059166 /nfs/dbraw/zinc/05/91/66/209059166.db2.gz JGZVHZOXEXPWHG-UHFFFAOYSA-N 0 3 389.503 4.312 40 0 GIABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)no3)C2)c1 ZINC000257341529 209078168 /nfs/dbraw/zinc/07/81/68/209078168.db2.gz ZKSWTJCUWKSOQH-GOSISDBHSA-N 0 3 397.519 4.125 40 0 GIABHN O=C(C1CC1)N1CCc2c3ccccc3[nH]c2C12CCN(Cc1ccccc1)CC2 ZINC000072325555 222226964 /nfs/dbraw/zinc/22/69/64/222226964.db2.gz WIWSYHNLKZWCTH-UHFFFAOYSA-N 0 3 399.538 4.454 40 0 GIABHN CSc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)cc1 ZINC000072392713 222248034 /nfs/dbraw/zinc/24/80/34/222248034.db2.gz LHIJDGOBYXMEQX-UHFFFAOYSA-N 0 3 392.528 4.346 40 0 GIABHN O=C(c1ccc(Br)cc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408613187 534692132 /nfs/dbraw/zinc/69/21/32/534692132.db2.gz XVEVBTMJNFKTRT-FQEVSTJZSA-N 0 3 399.332 4.112 40 0 GIABHN CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514290050 560030850 /nfs/dbraw/zinc/03/08/50/560030850.db2.gz RKANOJMFASIIHT-CNNODRBYSA-N 0 3 392.609 4.357 40 0 biogenic,in-vitro GIABHN O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000005396246 560201601 /nfs/dbraw/zinc/20/16/01/560201601.db2.gz KEUMWIGPEGFLDZ-FXAWDEMLSA-N 0 3 397.478 4.276 40 0 biogenic,in-vitro GIABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000585289038 570256933 /nfs/dbraw/zinc/25/69/33/570256933.db2.gz DEJFHACMLJVVBG-GVDBMIGSSA-N 0 3 377.834 4.275 40 0 GIABHN COc1ccccc1CN(C)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289638 570257293 /nfs/dbraw/zinc/25/72/93/570257293.db2.gz SXWUTUWYENYJMD-CEWLAPEOSA-N 0 3 375.896 4.141 40 0 GIABHN CC(C)N1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216423 570317568 /nfs/dbraw/zinc/31/75/68/570317568.db2.gz ZCPDBUUOPXYSJH-IBGZPJMESA-N 0 3 388.556 4.074 40 0 GIABHN CCOC(=O)c1ccc(-c2ccc(CN[C@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000022076236 570320509 /nfs/dbraw/zinc/32/05/09/570320509.db2.gz ZIVQDTQJVZJMLV-ZHRRBRCNSA-N 0 3 379.456 4.335 40 0 GIABHN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933131 570322605 /nfs/dbraw/zinc/32/26/05/570322605.db2.gz RHSZMCNAFRXVCS-LPHOPBHVSA-N 0 3 386.923 4.438 40 0 GIABHN Cc1cccc(CSCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000039755453 570447960 /nfs/dbraw/zinc/44/79/60/570447960.db2.gz VDKYDTOIIRUTCQ-UHFFFAOYSA-N 0 3 382.573 4.257 40 0 GIABHN COc1cccc2cc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c(=O)oc21 ZINC000035311273 570471445 /nfs/dbraw/zinc/47/14/45/570471445.db2.gz UFBCSWGTDVCOQC-UHFFFAOYSA-N 0 3 392.455 4.040 40 0 GIABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccccc1 ZINC000224156700 570501227 /nfs/dbraw/zinc/50/12/27/570501227.db2.gz MEBBFNUFVFVTDQ-YADHBBJMSA-N 0 3 397.507 4.444 40 0 GIABHN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000224167408 570501934 /nfs/dbraw/zinc/50/19/34/570501934.db2.gz MCAUHGSBQMCDLH-UHFFFAOYSA-N 0 3 386.923 4.056 40 0 GIABHN CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840656 570533299 /nfs/dbraw/zinc/53/32/99/570533299.db2.gz PWGCSKWPMUKBDC-NRFANRHFSA-N 0 3 396.531 4.155 40 0 GIABHN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834006 570585852 /nfs/dbraw/zinc/58/58/52/570585852.db2.gz FZOOLTRGULNIDV-HNNXBMFYSA-N 0 3 391.284 4.439 40 0 GIABHN Cc1ccc(SCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038836678 570587190 /nfs/dbraw/zinc/58/71/90/570587190.db2.gz CVSVFNUGISZTJQ-LJQANCHMSA-N 0 3 386.536 4.255 40 0 GIABHN CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225606641 570593170 /nfs/dbraw/zinc/59/31/70/570593170.db2.gz DQOADUXGWNEWDM-JOCHJYFZSA-N 0 3 376.541 4.187 40 0 GIABHN Cc1c(Cl)cccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964148 570594681 /nfs/dbraw/zinc/59/46/81/570594681.db2.gz CXRSWWRTEFRHTK-GOSISDBHSA-N 0 3 394.862 4.077 40 0 GIABHN COc1ccccc1C1(O)CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000012147637 570617226 /nfs/dbraw/zinc/61/72/26/570617226.db2.gz WREUFBHKUNUVCU-UHFFFAOYSA-N 0 3 397.906 4.222 40 0 GIABHN O=c1c2ccccc2nc(SCCN2CCCCC2)n1-c1ccc(F)cc1 ZINC000004216028 570623502 /nfs/dbraw/zinc/62/35/02/570623502.db2.gz FZDVESFHLSRZCS-UHFFFAOYSA-N 0 3 383.492 4.103 40 0 GIABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293352 570633704 /nfs/dbraw/zinc/63/37/04/570633704.db2.gz GKHFHKBFACPTQC-VQTJNVASSA-N 0 3 387.907 4.033 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)cc1 ZINC000044852552 570636284 /nfs/dbraw/zinc/63/62/84/570636284.db2.gz VFYGIDVAYRCHKU-FQEVSTJZSA-N 0 3 380.532 4.099 40 0 GIABHN O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044906379 570641619 /nfs/dbraw/zinc/64/16/19/570641619.db2.gz PEHHMIKDWBKWFE-IBGZPJMESA-N 0 3 388.914 4.440 40 0 GIABHN OC1(c2cccnc2)CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000012363665 570646091 /nfs/dbraw/zinc/64/60/91/570646091.db2.gz PQGNGBGSNAUJHT-UHFFFAOYSA-N 0 3 392.474 4.283 40 0 GIABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010333364 570788304 /nfs/dbraw/zinc/78/83/04/570788304.db2.gz NICMHMPKJFSBCD-GOSISDBHSA-N 0 3 393.531 4.453 40 0 GIABHN CCN1CCC[C@](O)(c2nc(C)c(COc3ccc(F)c(F)c3)s2)CC1 ZINC000019705247 570897520 /nfs/dbraw/zinc/89/75/20/570897520.db2.gz YKQZTNKDCOYNOG-LJQANCHMSA-N 0 3 382.476 4.002 40 0 GIABHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000001675091 206388878 /nfs/dbraw/zinc/38/88/78/206388878.db2.gz CLXPXVVFQRGADL-UHFFFAOYSA-N 0 3 375.516 4.429 40 0 GIABHN COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1CN1CCCC1 ZINC000019208589 207106586 /nfs/dbraw/zinc/10/65/86/207106586.db2.gz PUVZTMZBASNVMY-UHFFFAOYSA-N 0 3 394.559 4.083 40 0 GIABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1ccncc1 ZINC000019332841 207117258 /nfs/dbraw/zinc/11/72/58/207117258.db2.gz RRYWCOQDVKGKIZ-UHFFFAOYSA-N 0 3 383.923 4.051 40 0 GIABHN NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019374149 207120536 /nfs/dbraw/zinc/12/05/36/207120536.db2.gz NSDPLDCWUPTJPW-VWLOTQADSA-N 0 3 385.511 4.059 40 0 GIABHN CN1CCc2nc([C@H]3CCCCN3Cc3cccc(Cl)c3Cl)ncc2C1 ZINC000019590343 207141588 /nfs/dbraw/zinc/14/15/88/207141588.db2.gz TWDMIXIZQZHZPH-GOSISDBHSA-N 0 3 391.346 4.499 40 0 GIABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)CCc1cccnc1 ZINC000019590807 207141663 /nfs/dbraw/zinc/14/16/63/207141663.db2.gz YBJSOGQZXCKGCD-ZDXQCDESSA-N 0 3 395.522 4.022 40 0 GIABHN O=C(C1CCCCC1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072353537 208001183 /nfs/dbraw/zinc/00/11/83/208001183.db2.gz VATZLTOXQVBKDH-JOCHJYFZSA-N 0 3 391.559 4.165 40 0 GIABHN COc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000072358889 208003442 /nfs/dbraw/zinc/00/34/42/208003442.db2.gz RCGMAINBELRYLV-LJQANCHMSA-N 0 3 389.499 4.411 40 0 GIABHN COc1ccc([C@H](CNc2cc(-c3cc(C(C)C)[nH]n3)nc(C)n2)N(C)C)cc1 ZINC000072373216 208009722 /nfs/dbraw/zinc/00/97/22/208009722.db2.gz KAPGOMJPQIOIIE-NRFANRHFSA-N 0 3 394.523 4.022 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052682 208254982 /nfs/dbraw/zinc/25/49/82/208254982.db2.gz YSOSIWXTARBOEA-NRFANRHFSA-N 0 3 389.543 4.019 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)NCC1CC1 ZINC000096052659 208255554 /nfs/dbraw/zinc/25/55/54/208255554.db2.gz PEVPCFFAVHETKY-LJQANCHMSA-N 0 3 378.516 4.217 40 0 GIABHN CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053157 208257576 /nfs/dbraw/zinc/25/75/76/208257576.db2.gz VKWXSOLYATXNCQ-LJQANCHMSA-N 0 3 396.506 4.205 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053416 208259917 /nfs/dbraw/zinc/25/99/17/208259917.db2.gz FPGNICUPASDVBC-KRWDZBQOSA-N 0 3 396.556 4.318 40 0 GIABHN CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000100750196 208380276 /nfs/dbraw/zinc/38/02/76/208380276.db2.gz DEPWMDAOCPZFAD-SELNLUPBSA-N 0 3 395.547 4.319 40 0 GIABHN CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000100857500 208382265 /nfs/dbraw/zinc/38/22/65/208382265.db2.gz HQCAZEOSSBVLQO-ZRBLBEILSA-N 0 3 398.462 4.300 40 0 GIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000100857500 208382272 /nfs/dbraw/zinc/38/22/72/208382272.db2.gz HQCAZEOSSBVLQO-ZRBLBEILSA-N 0 3 398.462 4.300 40 0 GIABHN Cc1cccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 ZINC000306136660 209104672 /nfs/dbraw/zinc/10/46/72/209104672.db2.gz PZJDCOZKEAXJCK-QHCPKHFHSA-N 0 3 377.463 4.173 40 0 GIABHN Cc1ccsc1CN1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306138402 209103763 /nfs/dbraw/zinc/10/37/63/209103763.db2.gz RWTGKEQPJXHOOJ-QFIPXVFZSA-N 0 3 376.529 4.010 40 0 GIABHN c1cc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cs1 ZINC000306135095 209103290 /nfs/dbraw/zinc/10/32/90/209103290.db2.gz OHQLMGUUACGELY-IBGZPJMESA-N 0 3 375.501 4.232 40 0 GIABHN COc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)c1 ZINC000306130458 209099764 /nfs/dbraw/zinc/09/97/64/209099764.db2.gz JGZGICXILAOEBD-XMMPIXPASA-N 0 3 389.499 4.042 40 0 GIABHN c1cc(CN2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)cs1 ZINC000306124308 209097130 /nfs/dbraw/zinc/09/71/30/209097130.db2.gz BMLDZCKRUTUHRU-UHFFFAOYSA-N 0 3 375.501 4.232 40 0 GIABHN Cc1ncc(CN2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257253484 209060335 /nfs/dbraw/zinc/06/03/35/209060335.db2.gz JZCJZRHBPVVXKJ-RBBKRZOGSA-N 0 3 393.531 4.316 40 0 GIABHN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072345895 222233691 /nfs/dbraw/zinc/23/36/91/222233691.db2.gz MKYIJSUTFFPJJH-QGZVFWFLSA-N 0 3 380.442 4.384 40 0 GIABHN CCOc1cc2c(cc1OCC)[C@H](c1ccc(Br)cc1)NCC2 ZINC000020507132 560093673 /nfs/dbraw/zinc/09/36/73/560093673.db2.gz KOYWTXBINRJTAB-IBGZPJMESA-N 0 3 376.294 4.482 40 0 biogenic,in-vitro GIABHN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(C2CCCCC2)C1 ZINC000015674148 560230953 /nfs/dbraw/zinc/23/09/53/560230953.db2.gz KWQMXFFGLUCECF-CVEARBPZSA-N 0 3 381.398 4.196 40 0 biogenic,in-vitro GIABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2cccc(Oc3ccccc3)c2)C1 ZINC000101039286 570280705 /nfs/dbraw/zinc/28/07/05/570280705.db2.gz NSQRQRJDMLTDCH-GHTZIAJQSA-N 0 3 397.519 4.078 40 0 GIABHN CCOC(=O)c1ccc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000022076234 570320569 /nfs/dbraw/zinc/32/05/69/570320569.db2.gz ZIVQDTQJVZJMLV-AOMKIAJQSA-N 0 3 379.456 4.335 40 0 GIABHN CCN(CC)CCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000022075439 570321827 /nfs/dbraw/zinc/32/18/27/570321827.db2.gz UDPLQTTYXCOWKI-UHFFFAOYSA-N 0 3 391.353 4.460 40 0 GIABHN CC[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000005499957 570443112 /nfs/dbraw/zinc/44/31/12/570443112.db2.gz SCZBGHIZLUMOQC-FQEVSTJZSA-N 0 3 383.923 4.220 40 0 GIABHN O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039742250 570447024 /nfs/dbraw/zinc/44/70/24/570447024.db2.gz GRCOKDLQNWNXJB-UHFFFAOYSA-N 0 3 388.914 4.440 40 0 GIABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)NCc2ccccc2)C3)cc1 ZINC000035289486 570454691 /nfs/dbraw/zinc/45/46/91/570454691.db2.gz KZUIWZMNCBEBHM-NOTZXAQLSA-N 0 3 377.532 4.380 40 0 GIABHN CCN(CC)CCOC(=O)[C@](O)(c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000006382273 570478613 /nfs/dbraw/zinc/47/86/13/570478613.db2.gz KHRQGYWZVQGCPO-HSZRJFAPSA-N 0 3 375.553 4.265 40 0 GIABHN CCCSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 ZINC000223740063 570482164 /nfs/dbraw/zinc/48/21/64/570482164.db2.gz CXKVZPPPNLOYJX-UHFFFAOYSA-N 0 3 376.551 4.278 40 0 GIABHN CCCc1ccc(OCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000224529874 570516833 /nfs/dbraw/zinc/51/68/33/570516833.db2.gz KHOLOYNGMIHILR-UHFFFAOYSA-N 0 3 394.559 4.355 40 0 GIABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C1CCCC1 ZINC000225008524 570543039 /nfs/dbraw/zinc/54/30/39/570543039.db2.gz UNDOXZXZNXCDMJ-RTWAWAEBSA-N 0 3 389.528 4.182 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2 ZINC000001377908 570582494 /nfs/dbraw/zinc/58/24/94/570582494.db2.gz ZOYZRUZZBHQKFV-LKNVEGBXSA-N 0 3 390.527 4.410 40 0 GIABHN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833945 570585829 /nfs/dbraw/zinc/58/58/29/570585829.db2.gz ODVDQLHYCXQKJQ-OAHLLOKOSA-N 0 3 391.284 4.439 40 0 GIABHN O=C(Nc1ccccc1Br)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834899 570586345 /nfs/dbraw/zinc/58/63/45/570586345.db2.gz BDRIZGWSHRWSIP-OAHLLOKOSA-N 0 3 391.284 4.439 40 0 GIABHN O=C(NCCSCc1ccco1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852041 570588614 /nfs/dbraw/zinc/58/86/14/570588614.db2.gz BAIUXPXKCISWLK-KRWDZBQOSA-N 0 3 392.952 4.195 40 0 GIABHN COC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225640374 570597401 /nfs/dbraw/zinc/59/74/01/570597401.db2.gz CSPMUAQZLJDJOP-UHFFFAOYSA-N 0 3 388.552 4.331 40 0 GIABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225714876 570607943 /nfs/dbraw/zinc/60/79/43/570607943.db2.gz NOOYQPZFNVJIFF-CVDCTZTESA-N 0 3 388.552 4.475 40 0 GIABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000012239830 570630113 /nfs/dbraw/zinc/63/01/13/570630113.db2.gz UNGUNQZVTACLJX-IBGZPJMESA-N 0 3 385.577 4.350 40 0 GIABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293580 570633651 /nfs/dbraw/zinc/63/36/51/570633651.db2.gz GOQSFCPKIPESES-XZOQPEGZSA-N 0 3 389.495 4.224 40 0 GIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1 ZINC000012292971 570633654 /nfs/dbraw/zinc/63/36/54/570633654.db2.gz JBQKMSTYLXJXHX-UHFFFAOYSA-N 0 3 395.522 4.053 40 0 GIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000012292911 570633895 /nfs/dbraw/zinc/63/38/95/570633895.db2.gz QSFLRZUAXGPVNO-UHFFFAOYSA-N 0 3 384.495 4.240 40 0 GIABHN O=C(NCc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000004883111 570642850 /nfs/dbraw/zinc/64/28/50/570642850.db2.gz QPGICWBLGNPWNH-FRIKZZABSA-N 0 3 381.495 4.211 40 0 GIABHN CCOc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044912506 570642856 /nfs/dbraw/zinc/64/28/56/570642856.db2.gz YLOHOZBUOHQMTB-LJQANCHMSA-N 0 3 386.923 4.267 40 0 GIABHN CCOc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044912510 570642982 /nfs/dbraw/zinc/64/29/82/570642982.db2.gz YLOHOZBUOHQMTB-IBGZPJMESA-N 0 3 386.923 4.267 40 0 GIABHN COc1cc(C)c(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC ZINC000012345425 570645553 /nfs/dbraw/zinc/64/55/53/570645553.db2.gz FKCLYYIKCLJSPV-DETIRCLXSA-N 0 3 385.479 4.166 40 0 GIABHN Cc1cc(-c2cnc(NC3CCN(Cc4ccccc4)CC3)nc2C2CC2)on1 ZINC000072340356 570880315 /nfs/dbraw/zinc/88/03/15/570880315.db2.gz FFYHXQYZSYVTIR-UHFFFAOYSA-N 0 3 389.503 4.394 40 0 GIABHN CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109481 570941560 /nfs/dbraw/zinc/94/15/60/570941560.db2.gz STKBMHXOBYBKBQ-FDFHNCONSA-N 0 3 396.506 4.137 40 0 GIABHN CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000004889081 571002629 /nfs/dbraw/zinc/00/26/29/571002629.db2.gz HQCAZEOSSBVLQO-ZLNRFVROSA-N 0 3 398.462 4.300 40 0 GIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000004889081 571002631 /nfs/dbraw/zinc/00/26/31/571002631.db2.gz HQCAZEOSSBVLQO-ZLNRFVROSA-N 0 3 398.462 4.300 40 0 GIABHN CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C)n1 ZINC000329036958 206242020 /nfs/dbraw/zinc/24/20/20/206242020.db2.gz RLFQLEFGOODYJD-LBPRGKRZSA-N 0 3 375.314 4.321 40 0 GIABHN CCOC(=O)c1cc(Cl)cnc1C1CCN(Cc2cccc(OC)c2)CC1 ZINC000057773316 206278396 /nfs/dbraw/zinc/27/83/96/206278396.db2.gz AJAYOBDTEPUOCA-UHFFFAOYSA-N 0 3 388.895 4.300 40 0 GIABHN CCC(=O)O[C@]1(c2ccccc2)CCN(CCC(=O)c2ccccc2)C[C@@H]1C ZINC000005046337 206587327 /nfs/dbraw/zinc/58/73/27/206587327.db2.gz MZORJBGOVRTVQW-YADARESESA-N 0 3 379.500 4.450 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000017886764 207091104 /nfs/dbraw/zinc/09/11/04/207091104.db2.gz LDVDUVVKRUVWQU-ZCNNSNEGSA-N 0 3 390.464 4.108 40 0 GIABHN CCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C ZINC000019521257 207126498 /nfs/dbraw/zinc/12/64/98/207126498.db2.gz DJRHRPNWTPXIIS-DWLFOUALSA-N 0 3 381.520 4.028 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cn1 ZINC000019690365 207148011 /nfs/dbraw/zinc/14/80/11/207148011.db2.gz DFDGZOIVBWFCOT-OAQYLSRUSA-N 0 3 378.495 4.408 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cn1 ZINC000019690366 207148510 /nfs/dbraw/zinc/14/85/10/207148510.db2.gz DFDGZOIVBWFCOT-NRFANRHFSA-N 0 3 378.495 4.408 40 0 GIABHN CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cc(C2CC2)on1 ZINC000019589102 207141739 /nfs/dbraw/zinc/14/17/39/207141739.db2.gz QISIFWXIRCROTG-DWLFOUALSA-N 0 3 379.504 4.035 40 0 GIABHN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CN1CCCCC1 ZINC000019718254 207156191 /nfs/dbraw/zinc/15/61/91/207156191.db2.gz XHLXFCJEMJLIAU-UHFFFAOYSA-N 0 3 375.900 4.298 40 0 GIABHN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022534249 207257092 /nfs/dbraw/zinc/25/70/92/207257092.db2.gz RRUNIJHZKSBPBY-LJQANCHMSA-N 0 3 396.531 4.124 40 0 GIABHN COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030946076 207376959 /nfs/dbraw/zinc/37/69/59/207376959.db2.gz UIXVSMGUANHGQP-IBGZPJMESA-N 0 3 386.923 4.219 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)c1 ZINC000044852549 207638029 /nfs/dbraw/zinc/63/80/29/207638029.db2.gz XJASJBMDSZIXFG-FQEVSTJZSA-N 0 3 380.532 4.099 40 0 GIABHN Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cccnc3)C2)n[nH]1 ZINC000072378125 208008808 /nfs/dbraw/zinc/00/88/08/208008808.db2.gz NFIVVNNHTDIBSQ-QGZVFWFLSA-N 0 3 382.895 4.069 40 0 GIABHN Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cccnc3)C2)[nH]n1 ZINC000072378125 208008815 /nfs/dbraw/zinc/00/88/15/208008815.db2.gz NFIVVNNHTDIBSQ-QGZVFWFLSA-N 0 3 382.895 4.069 40 0 GIABHN O=C(CN1CCCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1 ZINC000072380347 208012658 /nfs/dbraw/zinc/01/26/58/208012658.db2.gz IIVJULYYEHTRQS-IBGZPJMESA-N 0 3 386.927 4.270 40 0 GIABHN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000095483660 208195482 /nfs/dbraw/zinc/19/54/82/208195482.db2.gz MMPNJVSWEOJWGD-FHWLQOOXSA-N 0 3 384.863 4.209 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)s1 ZINC000096037101 208255204 /nfs/dbraw/zinc/25/52/04/208255204.db2.gz PUPQSGVDZNSLFN-UHFFFAOYSA-N 0 3 378.545 4.015 40 0 GIABHN CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096036961 208255792 /nfs/dbraw/zinc/25/57/92/208255792.db2.gz OKCXBVJYVHKTKB-UHFFFAOYSA-N 0 3 396.535 4.187 40 0 GIABHN COc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cc1 ZINC000096100275 208264261 /nfs/dbraw/zinc/26/42/61/208264261.db2.gz BRVHEBBFCGDFHL-HSZRJFAPSA-N 0 3 390.527 4.271 40 0 GIABHN Fc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306136670 209104746 /nfs/dbraw/zinc/10/47/46/209104746.db2.gz PZMRNTWOBAQDFQ-FQEVSTJZSA-N 0 3 387.462 4.310 40 0 GIABHN c1ccc(CNc2ccc3nc([C@@H]4CCCN(Cc5ccncc5)C4)nn3c2)cc1 ZINC000306124133 209097003 /nfs/dbraw/zinc/09/70/03/209097003.db2.gz BHAAEKGEOTTWKA-OAQYLSRUSA-N 0 3 398.514 4.116 40 0 GIABHN Cc1cc(Nc2cnccn2)cc(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000257279059 209066167 /nfs/dbraw/zinc/06/61/67/209066167.db2.gz OEVJJIKPSYBGRR-UHFFFAOYSA-N 0 3 377.467 4.442 40 0 GIABHN Fc1ccc(-c2nsc3c2ncnc3N2CCN(C3CCCCC3)CC2)cc1 ZINC000004894759 136194165 /nfs/dbraw/zinc/19/41/65/136194165.db2.gz LBJSVHXUMZJKLP-UHFFFAOYSA-N 0 3 397.523 4.347 40 0 GIABHN CCn1ncc(CN2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1C ZINC000257340950 209078900 /nfs/dbraw/zinc/07/89/00/209078900.db2.gz ZIFXZZWDSGRJAI-QGZVFWFLSA-N 0 3 396.564 4.495 40 0 GIABHN CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C\S(=O)(=O)c3ccccc3)cc12 ZINC000095908751 222361080 /nfs/dbraw/zinc/36/10/80/222361080.db2.gz MJICWWOZPCLNBP-NJBZPOFQSA-N 0 3 380.513 4.249 40 0 GIABHN CC(C)CCN1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225473828 560043201 /nfs/dbraw/zinc/04/32/01/560043201.db2.gz YLJAVLDWMMMADN-UHFFFAOYSA-N 0 3 399.604 4.031 40 0 biogenic,in-vitro GIABHN c1cc(-c2cncnc2)ncc1-c1noc([C@@H]2CCCN2CC2CCCCC2)n1 ZINC000049155303 560083992 /nfs/dbraw/zinc/08/39/92/560083992.db2.gz DBZAVQJJAMQYPW-FQEVSTJZSA-N 0 3 390.491 4.306 40 0 biogenic,in-vitro GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000005092828 570222753 /nfs/dbraw/zinc/22/27/53/570222753.db2.gz XHLBOAOLNLRFDC-ZRBLBEILSA-N 0 3 398.462 4.355 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000005215534 570250431 /nfs/dbraw/zinc/25/04/31/570250431.db2.gz NTWYOLBMNRGCRN-ZLNRFVROSA-N 0 3 398.462 4.355 40 0 GIABHN Cc1ccccc1OC[C@]1(O)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585286679 570255569 /nfs/dbraw/zinc/25/55/69/570255569.db2.gz HORKSCRRVYRWPX-VDKIKQQVSA-N 0 3 395.543 4.164 40 0 GIABHN CCCN1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216420 570317577 /nfs/dbraw/zinc/31/75/77/570317577.db2.gz IVYZDIOKVSMFRW-LJQANCHMSA-N 0 3 388.556 4.076 40 0 GIABHN COc1ccc(OCCc2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)[nH]n2)cc1 ZINC000072371214 570339801 /nfs/dbraw/zinc/33/98/01/570339801.db2.gz GLHHNVNGMAPBES-SFHVURJKSA-N 0 3 395.478 4.168 40 0 GIABHN COc1ccc(OCCc2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)n[nH]2)cc1 ZINC000072371214 570339802 /nfs/dbraw/zinc/33/98/02/570339802.db2.gz GLHHNVNGMAPBES-SFHVURJKSA-N 0 3 395.478 4.168 40 0 GIABHN Cc1ccc(CSCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039752571 570447367 /nfs/dbraw/zinc/44/73/67/570447367.db2.gz FZFCLJHDAQSHIR-UHFFFAOYSA-N 0 3 382.573 4.257 40 0 GIABHN CCOc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1 ZINC000242655796 570456610 /nfs/dbraw/zinc/45/66/10/570456610.db2.gz CSHUFMGULVWVHN-UHFFFAOYSA-N 0 3 377.492 4.259 40 0 GIABHN COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002408237 570481820 /nfs/dbraw/zinc/48/18/20/570481820.db2.gz YJXWJCJQGVJCGK-WNSKOXEYSA-N 0 3 397.519 4.102 40 0 GIABHN Cc1ccccc1CN1CCC(C(=O)Nc2nnc(SC(C)C)s2)CC1 ZINC000223895761 570489314 /nfs/dbraw/zinc/48/93/14/570489314.db2.gz GYUADPPSYKEKPB-UHFFFAOYSA-N 0 3 390.578 4.198 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)Nc3nnc(SC(C)C)s3)CC2)c1 ZINC000224390590 570511634 /nfs/dbraw/zinc/51/16/34/570511634.db2.gz QPHIQVIEPLBMBI-UHFFFAOYSA-N 0 3 390.578 4.198 40 0 GIABHN Cc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 ZINC000224819900 570532334 /nfs/dbraw/zinc/53/23/34/570532334.db2.gz WUKFBCMBXSIBQK-UHFFFAOYSA-N 0 3 386.561 4.076 40 0 GIABHN Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224840555 570533444 /nfs/dbraw/zinc/53/34/44/570533444.db2.gz WJEHUJYBRQVNFR-HXUWFJFHSA-N 0 3 380.532 4.373 40 0 GIABHN COc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224851464 570534155 /nfs/dbraw/zinc/53/41/55/570534155.db2.gz OQWHLJPANKUCJD-UHFFFAOYSA-N 0 3 380.532 4.239 40 0 GIABHN O=C(CSCc1ccccc1F)NCc1ccccc1CN1CCCCC1 ZINC000224849381 570534216 /nfs/dbraw/zinc/53/42/16/570534216.db2.gz CMDSTGAIJAILJS-UHFFFAOYSA-N 0 3 386.536 4.361 40 0 GIABHN COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000224901470 570537389 /nfs/dbraw/zinc/53/73/89/570537389.db2.gz BWKKLAYKTFBJSC-SJLPKXTDSA-N 0 3 386.923 4.438 40 0 GIABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C1CCCC1 ZINC000225008418 570543049 /nfs/dbraw/zinc/54/30/49/570543049.db2.gz UNDOXZXZNXCDMJ-LEWJYISDSA-N 0 3 389.528 4.182 40 0 GIABHN CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC)c(C)c1 ZINC000225016889 570543729 /nfs/dbraw/zinc/54/37/29/570543729.db2.gz WWEKGSCXPZHOEI-QFIPXVFZSA-N 0 3 380.532 4.483 40 0 GIABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)c1 ZINC000038834637 570585900 /nfs/dbraw/zinc/58/59/00/570585900.db2.gz LLNYQYIQPIFVEO-INIZCTEOSA-N 0 3 388.895 4.208 40 0 GIABHN CO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225635381 570596699 /nfs/dbraw/zinc/59/66/99/570596699.db2.gz CBQJPURPEFSDTG-AUSIDOKSSA-N 0 3 388.552 4.331 40 0 GIABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291597 570633351 /nfs/dbraw/zinc/63/33/51/570633351.db2.gz OOEKHCDGDSZTSQ-XMMPIXPASA-N 0 3 390.527 4.199 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000044912142 570642985 /nfs/dbraw/zinc/64/29/85/570642985.db2.gz CPORPVHWTXBCQY-UHFFFAOYSA-N 0 3 398.478 4.162 40 0 GIABHN Cc1nccc(-c2cccc(-c3noc(CN4C[C@H]5CCCC[C@@H]5C4)n3)c2)n1 ZINC000012337249 570644686 /nfs/dbraw/zinc/64/46/86/570644686.db2.gz QPTHWYBEJNJWGN-RTBURBONSA-N 0 3 375.476 4.124 40 0 GIABHN Cc1cnc(-c2nc(C3CCN(Cc4cccc(OC(C)C)c4)CC3)no2)cn1 ZINC000012337383 570644722 /nfs/dbraw/zinc/64/47/22/570644722.db2.gz PZZPHTCIJBVRPB-UHFFFAOYSA-N 0 3 393.491 4.002 40 0 GIABHN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063563 570773712 /nfs/dbraw/zinc/77/37/12/570773712.db2.gz DJJWYAHKSMRMNF-UHFFFAOYSA-N 0 3 391.284 4.439 40 0 GIABHN O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000020503413 575369897 /nfs/dbraw/zinc/36/98/97/575369897.db2.gz AVPRDEWBVWWKPS-JKSUJKDBSA-N 0 3 380.488 4.335 40 0 biogenic,in-vitro GIABHN COc1ccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)cc1 ZINC000019554751 210261227 /nfs/dbraw/zinc/26/12/27/210261227.db2.gz UUFCLNRMRYTSHF-QHCPKHFHSA-N 0 3 394.515 4.003 40 0 GIABHN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(CC[C@@H](C)c1ccccc1)C2 ZINC000019455717 210251184 /nfs/dbraw/zinc/25/11/84/210251184.db2.gz HFGXBFDUGQTWPA-JPYJTQIMSA-N 0 3 392.547 4.102 40 0 GIABHN COc1ccccc1CN1CCC([C@@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019446704 210249167 /nfs/dbraw/zinc/24/91/67/210249167.db2.gz HDRWJRMWSHECFX-XMMPIXPASA-N 0 3 395.547 4.206 40 0 GIABHN O=C(c1cccc(Br)c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408607347 231077249 /nfs/dbraw/zinc/07/72/49/231077249.db2.gz LDTHLYVYXLFJNL-HXUWFJFHSA-N 0 3 399.332 4.112 40 0 GIABHN O=C(c1cc([C@@H]2CCCN(Cc3cccc4ccccc43)C2)no1)N1CCCC1 ZINC000019376377 210247021 /nfs/dbraw/zinc/24/70/21/210247021.db2.gz LBPXTVTZIIIFFX-HXUWFJFHSA-N 0 3 389.499 4.443 40 0 GIABHN O=C(C1CC1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H](c1ccccc1)O2 ZINC000019371691 210245387 /nfs/dbraw/zinc/24/53/87/210245387.db2.gz CRVLPGWQWPGBBZ-QHCPKHFHSA-N 0 3 390.527 4.031 40 0 GIABHN CC(C)(C)c1cn2cccc(CC3(O)CCN(Cc4ccccc4)CC3)c2n1 ZINC000019084587 210225961 /nfs/dbraw/zinc/22/59/61/210225961.db2.gz JWHZPKJVOCWNNP-UHFFFAOYSA-N 0 3 377.532 4.201 40 0 GIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019081881 210225805 /nfs/dbraw/zinc/22/58/05/210225805.db2.gz PLQGSVHFEFTNAQ-SIKLNZKXSA-N 0 3 395.547 4.206 40 0 GIABHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2ccccc2c1 ZINC000015360748 210156693 /nfs/dbraw/zinc/15/66/93/210156693.db2.gz TVRJPGKIRWSMQG-UHFFFAOYSA-N 0 3 394.540 4.304 40 0 GIABHN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000013682324 210079339 /nfs/dbraw/zinc/07/93/39/210079339.db2.gz HFVPFUBVZNDCKF-UHFFFAOYSA-N 0 3 397.950 4.207 40 0 GIABHN Cc1ccsc1CN1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306141336 212055971 /nfs/dbraw/zinc/05/59/71/212055971.db2.gz VSMHMZXSNJPWPD-KRWDZBQOSA-N 0 3 381.549 4.079 40 0 GIABHN c1csc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306133999 212051843 /nfs/dbraw/zinc/05/18/43/212051843.db2.gz NBKZYTRYLIXLLK-GOSISDBHSA-N 0 3 375.501 4.232 40 0 GIABHN Clc1cccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 ZINC000306134465 212051146 /nfs/dbraw/zinc/05/11/46/212051146.db2.gz NOKTUTBOWGBUJM-QHCPKHFHSA-N 0 3 390.918 4.294 40 0 GIABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000257275011 212015796 /nfs/dbraw/zinc/01/57/96/212015796.db2.gz NNPDFPYKIMEIIQ-SFHVURJKSA-N 0 3 387.487 4.252 40 0 GIABHN Cc1noc(C)c1-c1cc(C[C@H]2CCN(Cc3ccc4ccccc4n3)C2)ncn1 ZINC000257242489 212008783 /nfs/dbraw/zinc/00/87/83/212008783.db2.gz ICTNMLBAVFNKJU-GOSISDBHSA-N 0 3 399.498 4.361 40 0 GIABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000257231229 212007816 /nfs/dbraw/zinc/00/78/16/212007816.db2.gz GFWCBQXXUSNIEN-UHFFFAOYSA-N 0 3 379.891 4.394 40 0 GIABHN Cc1cc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)ccc1C(C)C ZINC000329007169 209155451 /nfs/dbraw/zinc/15/54/51/209155451.db2.gz LHMZUVNWWJMEHJ-UHFFFAOYSA-N 0 3 390.535 4.109 40 0 GIABHN CCC[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000101056378 211394510 /nfs/dbraw/zinc/39/45/10/211394510.db2.gz CGVSMVAPPLMWHE-FKBYEOEOSA-N 0 3 386.451 4.318 40 0 GIABHN Cc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)o1 ZINC000096099946 211303107 /nfs/dbraw/zinc/30/31/07/211303107.db2.gz JJUIUVOKBSBTQI-UHFFFAOYSA-N 0 3 387.487 4.311 40 0 GIABHN Cn1cnc2c1cc(C1CCN(Cc3ccsc3)CC1)nc2-c1cccnc1 ZINC000096099943 211302577 /nfs/dbraw/zinc/30/25/77/211302577.db2.gz JSIWFQWQNRJKHM-UHFFFAOYSA-N 0 3 389.528 4.471 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21)NC1CCC1 ZINC000096052763 211297302 /nfs/dbraw/zinc/29/73/02/211297302.db2.gz BDGDWUAWUUPEAS-LJQANCHMSA-N 0 3 389.543 4.162 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072345904 211094805 /nfs/dbraw/zinc/09/48/05/211094805.db2.gz BJRWAJUYOOKKMF-SFHVURJKSA-N 0 3 392.478 4.253 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072345905 211094663 /nfs/dbraw/zinc/09/46/63/211094663.db2.gz BJRWAJUYOOKKMF-GOSISDBHSA-N 0 3 392.478 4.253 40 0 GIABHN O=C(C1CCCCC1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072353538 211097821 /nfs/dbraw/zinc/09/78/21/211097821.db2.gz VATZLTOXQVBKDH-QFIPXVFZSA-N 0 3 391.559 4.165 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)c(C)n1 ZINC000072353360 211097569 /nfs/dbraw/zinc/09/75/69/211097569.db2.gz YAQXWWISDPGPTA-IBGZPJMESA-N 0 3 390.535 4.433 40 0 GIABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000072352442 211096497 /nfs/dbraw/zinc/09/64/97/211096497.db2.gz JRBNLKYNXXOWFS-OAHLLOKOSA-N 0 3 398.503 4.268 40 0 GIABHN O=C(NCCC1CCCC1)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752748 210293994 /nfs/dbraw/zinc/29/39/94/210293994.db2.gz WDHFUOBKQUVOGC-OAQYLSRUSA-N 0 3 392.547 4.166 40 0 GIABHN O=C(NCCC1CCCC1)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752750 210292996 /nfs/dbraw/zinc/29/29/96/210292996.db2.gz WDHFUOBKQUVOGC-NRFANRHFSA-N 0 3 392.547 4.166 40 0 GIABHN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC[C@H](Cn2ccnc2C)C1 ZINC000019659065 210278120 /nfs/dbraw/zinc/27/81/20/210278120.db2.gz QNGWKNYKJHDECJ-NRFANRHFSA-N 0 3 377.536 4.215 40 0 GIABHN CCOc1ccc(-c2n[nH]cc2CN2CCC(n3nc(C)cc3C)CC2)cc1 ZINC000019656806 210276882 /nfs/dbraw/zinc/27/68/82/210276882.db2.gz VOQCJQASKAVJJO-UHFFFAOYSA-N 0 3 379.508 4.126 40 0 GIABHN CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289930 560031484 /nfs/dbraw/zinc/03/14/84/560031484.db2.gz OHKVBEFQKLEWSO-JAXLGGSGSA-N 0 3 386.561 4.091 40 0 biogenic,in-vitro GIABHN Cc1cnc(Nc2cccc([C@H]3CCCN(Cc4cn(C)nc4C)C3)n2)s1 ZINC000585262594 570230877 /nfs/dbraw/zinc/23/08/77/570230877.db2.gz HJNFRZPKPLNCTC-INIZCTEOSA-N 0 3 382.537 4.012 40 0 GIABHN OCCN1CCC(c2cccc(Nc3ncc(-c4cccc(F)c4)s3)n2)CC1 ZINC000585263113 570231720 /nfs/dbraw/zinc/23/17/20/570231720.db2.gz LXHHWEKGRALXEG-UHFFFAOYSA-N 0 3 398.507 4.260 40 0 GIABHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000005278575 570252266 /nfs/dbraw/zinc/25/22/66/570252266.db2.gz HCYCUAOHHQFOOQ-BDTNDASRSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000005278575 570252269 /nfs/dbraw/zinc/25/22/69/570252269.db2.gz HCYCUAOHHQFOOQ-BDTNDASRSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1ccccc1[C@H]1CN(Cc2ccc(Oc3ccccc3)cc2)[C@H](CO)[C@@H]1O ZINC000585294818 570274676 /nfs/dbraw/zinc/27/46/76/570274676.db2.gz KOLUIYUQSWHBLJ-UBFVSLLYSA-N 0 3 389.495 4.109 40 0 GIABHN CCN(CC)CCN[C@@H](c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000022871011 570332506 /nfs/dbraw/zinc/33/25/06/570332506.db2.gz IWOGQWYWHLDFGU-HNNXBMFYSA-N 0 3 383.747 4.047 40 0 GIABHN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccncc3)N21 ZINC000222675729 570420101 /nfs/dbraw/zinc/42/01/01/570420101.db2.gz ZGSPHXYXFCIADS-CDHQVMDDSA-N 0 3 375.501 4.247 40 0 GIABHN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222953695 570432911 /nfs/dbraw/zinc/43/29/11/570432911.db2.gz VJNNCOVPVGRPQM-PMACEKPBSA-N 0 3 377.517 4.040 40 0 GIABHN O=C(NCCSC1CCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039760191 570445650 /nfs/dbraw/zinc/44/56/50/570445650.db2.gz OBPUUMUQBOUSNI-UHFFFAOYSA-N 0 3 378.557 4.220 40 0 GIABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1 ZINC000035291749 570460523 /nfs/dbraw/zinc/46/05/23/570460523.db2.gz RHWDFPMXDVIGGP-WDHWVKIYSA-N 0 3 376.500 4.020 40 0 GIABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)c(C)cc(C)c1C ZINC000006382257 570478322 /nfs/dbraw/zinc/47/83/22/570478322.db2.gz ZTRLSOGNKWBEGF-XMMPIXPASA-N 0 3 383.532 4.041 40 0 GIABHN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000029838811 570481408 /nfs/dbraw/zinc/48/14/08/570481408.db2.gz WXBKZHXBOPPWEJ-UHFFFAOYSA-N 0 3 386.923 4.062 40 0 GIABHN COC1(COc2ccc(C)cc2C)CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000257304127 570488661 /nfs/dbraw/zinc/48/86/61/570488661.db2.gz SKEOANVVURLIQI-UHFFFAOYSA-N 0 3 379.504 4.240 40 0 GIABHN COC1(COc2ccc(C)cc2C)CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000257304127 570488662 /nfs/dbraw/zinc/48/86/62/570488662.db2.gz SKEOANVVURLIQI-UHFFFAOYSA-N 0 3 379.504 4.240 40 0 GIABHN C[C@@H]1CCCN(c2ncc(CNCCc3ccc(C(F)(F)F)cc3)cn2)C1 ZINC000035316536 570551684 /nfs/dbraw/zinc/55/16/84/570551684.db2.gz KRFQFWINOZBQKL-OAHLLOKOSA-N 0 3 378.442 4.064 40 0 GIABHN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000010281893 570567400 /nfs/dbraw/zinc/56/74/00/570567400.db2.gz OQGBWPPGABATAM-KRWDZBQOSA-N 0 3 386.923 4.410 40 0 GIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(-n3ccnc3C)cc2)o1 ZINC000036740269 570568635 /nfs/dbraw/zinc/56/86/35/570568635.db2.gz HJUIRUHXLMNJPN-UHFFFAOYSA-N 0 3 389.503 4.371 40 0 GIABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010332758 570569436 /nfs/dbraw/zinc/56/94/36/570569436.db2.gz RPAGWRLORHJHSX-KRWDZBQOSA-N 0 3 379.504 4.063 40 0 GIABHN CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038755479 570582149 /nfs/dbraw/zinc/58/21/49/570582149.db2.gz VPRIEHVECNIMFN-UHFFFAOYSA-N 0 3 393.531 4.311 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000038851290 570587819 /nfs/dbraw/zinc/58/78/19/570587819.db2.gz PDNNSLWOBPTWFS-UHFFFAOYSA-N 0 3 395.522 4.020 40 0 GIABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000039964156 570594462 /nfs/dbraw/zinc/59/44/62/570594462.db2.gz UCMSSBSHHPXORU-OAQYLSRUSA-N 0 3 396.450 4.268 40 0 GIABHN CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225662662 570599724 /nfs/dbraw/zinc/59/97/24/570599724.db2.gz JVPXZYWMGZMCGG-AUSIDOKSSA-N 0 3 388.552 4.475 40 0 GIABHN COc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000225742872 570611942 /nfs/dbraw/zinc/61/19/42/570611942.db2.gz KEVQRVAXQVNWSW-UHFFFAOYSA-N 0 3 389.952 4.083 40 0 GIABHN S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000004489286 570627911 /nfs/dbraw/zinc/62/79/11/570627911.db2.gz ZHPFMVTXQHOKHS-ALOPSCKCSA-N 0 3 375.925 4.415 40 0 GIABHN O[C@@H](CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012292046 570633292 /nfs/dbraw/zinc/63/32/92/570633292.db2.gz CSTQJPJUMCOHAR-SFHVURJKSA-N 0 3 399.840 4.376 40 0 GIABHN CC(C)(C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012293561 570633926 /nfs/dbraw/zinc/63/39/26/570633926.db2.gz LPIHUACXSTZTJA-VXKWHMMOSA-N 0 3 395.543 4.368 40 0 GIABHN CCOc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1OCC ZINC000044905191 570641910 /nfs/dbraw/zinc/64/19/10/570641910.db2.gz QOWSVWAGWZVGDI-UHFFFAOYSA-N 0 3 396.531 4.400 40 0 GIABHN CCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044909932 570642455 /nfs/dbraw/zinc/64/24/55/570642455.db2.gz CPDUASDAEMXERC-NRFANRHFSA-N 0 3 398.522 4.185 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2)C3)cc1 ZINC000004887947 570642597 /nfs/dbraw/zinc/64/25/97/570642597.db2.gz ANMOEZZZAWXWRI-SEJPIABJSA-N 0 3 379.504 4.402 40 0 GIABHN CCOc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044919696 570643301 /nfs/dbraw/zinc/64/33/01/570643301.db2.gz HYQMIBFHXGEKOX-IBGZPJMESA-N 0 3 386.923 4.267 40 0 GIABHN Cc1cccc(C2(O)CCN(Cc3cccc(Oc4ncccn4)c3)CC2)c1 ZINC000012328449 570643645 /nfs/dbraw/zinc/64/36/45/570643645.db2.gz HJGOOQHDFIJBCP-UHFFFAOYSA-N 0 3 375.472 4.061 40 0 GIABHN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933127 570643825 /nfs/dbraw/zinc/64/38/25/570643825.db2.gz RHSZMCNAFRXVCS-QFBILLFUSA-N 0 3 386.923 4.438 40 0 GIABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(OC)cc1 ZINC000044936277 570644271 /nfs/dbraw/zinc/64/42/71/570644271.db2.gz NGMKEGIXCROBPW-HSZRJFAPSA-N 0 3 380.532 4.483 40 0 GIABHN CCCOc1ccccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000012344770 570645249 /nfs/dbraw/zinc/64/52/49/570645249.db2.gz VQVFFKXWVUTVKQ-UHFFFAOYSA-N 0 3 384.495 4.242 40 0 GIABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(OCc3ccccc3F)cc2)on1 ZINC000012366586 570647303 /nfs/dbraw/zinc/64/73/03/570647303.db2.gz DWVOYLCZSFQJEL-AUSIDOKSSA-N 0 3 396.462 4.048 40 0 GIABHN CCn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1 ZINC000004977154 570655850 /nfs/dbraw/zinc/65/58/50/570655850.db2.gz VJFDRQVHDJBPBN-UHFFFAOYSA-N 0 3 379.961 4.142 40 0 GIABHN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625711 570665552 /nfs/dbraw/zinc/66/55/52/570665552.db2.gz UTQAWKRUTNWPHS-RHSMWYFYSA-N 0 3 388.943 4.091 40 0 GIABHN CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccc(Br)cc1 ZINC000089212763 570747810 /nfs/dbraw/zinc/74/78/10/570747810.db2.gz QBBQETBNQZYULA-INIZCTEOSA-N 0 3 383.330 4.328 40 0 GIABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccc(Br)cc1 ZINC000089212760 570747915 /nfs/dbraw/zinc/74/79/15/570747915.db2.gz QBBQETBNQZYULA-MRXNPFEDSA-N 0 3 383.330 4.328 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 ZINC000012499276 570807562 /nfs/dbraw/zinc/80/75/62/570807562.db2.gz WBLGZPMRYZRKJF-SEJPIABJSA-N 0 3 385.552 4.213 40 0 GIABHN C[C@@]12C(=O)N(c3ccccc3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013596764 570853344 /nfs/dbraw/zinc/85/33/44/570853344.db2.gz OCVIWFTWHXETLP-DPLHUUCSSA-N 0 3 384.435 4.128 40 0 GIABHN C[C@@]12C(=O)N(c3ccccc3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004545835 570978081 /nfs/dbraw/zinc/97/80/81/570978081.db2.gz OCVIWFTWHXETLP-LGVFNWMJSA-N 0 3 384.435 4.128 40 0 GIABHN C[C@@H](Nc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[n-]1)c1ccccc1 ZINC000019717551 571040221 /nfs/dbraw/zinc/04/02/21/571040221.db2.gz KQEAZZPGSCUFBL-QGZVFWFLSA-N 0 3 389.503 4.130 40 0 GIABHN Cc1cc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)ccc1C(C)C ZINC000328956372 571046745 /nfs/dbraw/zinc/04/67/45/571046745.db2.gz AFNOHVJYXXEOIV-UHFFFAOYSA-N 0 3 390.535 4.109 40 0 GIABHN Cc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000019236202 818589351 /nfs/dbraw/zinc/58/93/51/818589351.db2.gz OVKDWHDBSHTJCI-NZQKXSOJSA-N 0 3 392.547 4.045 40 0 GIABHN CCN1CCC[C@@](O)(c2nc(C)c(COc3ccc(F)c(F)c3)s2)CC1 ZINC000019705246 818601647 /nfs/dbraw/zinc/60/16/47/818601647.db2.gz YKQZTNKDCOYNOG-IBGZPJMESA-N 0 3 382.476 4.002 40 0 GIABHN COc1ccccc1-c1ccccc1CN1CCC2(CC1)CC=CCN(C)C2=O ZINC000019742583 818604440 /nfs/dbraw/zinc/60/44/40/818604440.db2.gz APLGSXOIHPTLOD-UHFFFAOYSA-N 0 3 390.527 4.363 40 0 GIABHN COc1cccc2ccc(CN3CC[C@@H](c4nc(-c5cccs5)no4)C3)nc21 ZINC000019568407 210266463 /nfs/dbraw/zinc/26/64/63/210266463.db2.gz VXFQPCJUECEKSY-OAHLLOKOSA-N 0 3 392.484 4.344 40 0 GIABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000019565136 210266269 /nfs/dbraw/zinc/26/62/69/210266269.db2.gz YEQKYNOMSZGOKG-SFHVURJKSA-N 0 3 397.519 4.125 40 0 GIABHN Cc1cc([C@@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000019567835 210265305 /nfs/dbraw/zinc/26/53/05/210265305.db2.gz ZPBVWWLJPIATIQ-SFHVURJKSA-N 0 3 399.478 4.401 40 0 GIABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2oc3ccccc3c2C)CC1 ZINC000019566346 210264930 /nfs/dbraw/zinc/26/49/30/210264930.db2.gz DNRWUMGVZDYJPD-QHCPKHFHSA-N 0 3 377.488 4.226 40 0 GIABHN CNc1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2cnc(C)s2)n1 ZINC000019287378 210237735 /nfs/dbraw/zinc/23/77/35/210237735.db2.gz GJSCNYNAPXXAME-UHFFFAOYSA-N 0 3 397.523 4.469 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(Cc4ccccc4F)C3)cc2n1 ZINC000019117144 210225570 /nfs/dbraw/zinc/22/55/70/210225570.db2.gz FBVVNIFPZQZTFR-AWEZNQCLSA-N 0 3 378.373 4.185 40 0 GIABHN Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1Cl ZINC000013634085 210073947 /nfs/dbraw/zinc/07/39/47/210073947.db2.gz QRYZZARITSBTJL-UHFFFAOYSA-N 0 3 381.867 4.090 40 0 GIABHN Cc1ccsc1CN1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306141337 212054781 /nfs/dbraw/zinc/05/47/81/212054781.db2.gz VSMHMZXSNJPWPD-QGZVFWFLSA-N 0 3 381.549 4.079 40 0 GIABHN c1csc(-c2ccc3nc([C@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306132827 212049998 /nfs/dbraw/zinc/04/99/98/212049998.db2.gz LTGXGRHPMUYJCO-SFHVURJKSA-N 0 3 375.501 4.232 40 0 GIABHN Cc1ccsc1CN1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138539 212053876 /nfs/dbraw/zinc/05/38/76/212053876.db2.gz SAEPEBHZLZEPOC-UXHICEINSA-N 0 3 395.503 4.079 40 0 GIABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(C)c4)cnc2CO3)cc1 ZINC000306128931 212046479 /nfs/dbraw/zinc/04/64/79/212046479.db2.gz HOPYPVHPRIRCPL-XMMPIXPASA-N 0 3 389.499 4.042 40 0 GIABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257244843 212010748 /nfs/dbraw/zinc/01/07/48/212010748.db2.gz INAQTMPSXWYQFB-SFHVURJKSA-N 0 3 387.487 4.170 40 0 GIABHN CCCc1ccc(OCc2ccccc2)c(CN(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c1 ZINC000257220776 212004900 /nfs/dbraw/zinc/00/49/00/212004900.db2.gz DMBZIZNEOKSDOC-GMKZXUHWSA-N 0 3 383.532 4.188 40 0 GIABHN COc1ccccc1CN(C)C(=O)c1ncccc1-c1cccc(CN(C)C)c1 ZINC000257203797 212003876 /nfs/dbraw/zinc/00/38/76/212003876.db2.gz ARQUFPAWJCMRIX-UHFFFAOYSA-N 0 3 389.499 4.091 40 0 GIABHN CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000224531887 211864768 /nfs/dbraw/zinc/86/47/68/211864768.db2.gz RVIMTCBWMXVXNE-UHFFFAOYSA-N 0 3 394.559 4.355 40 0 GIABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245469 211324638 /nfs/dbraw/zinc/32/46/38/211324638.db2.gz QMUVPSDUWGLZLP-ROUUACIJSA-N 0 3 389.326 4.126 40 0 GIABHN CCc1ccc(C(=O)N2CCC3(C2)CCN(Cc2cccc(OC)c2)CC3)cc1 ZINC000096046649 211296579 /nfs/dbraw/zinc/29/65/79/211296579.db2.gz IUHPVGHPYMVVKS-UHFFFAOYSA-N 0 3 392.543 4.386 40 0 GIABHN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)C[C@H](C)c2ccccc2)on1 ZINC000072395076 211109601 /nfs/dbraw/zinc/10/96/01/211109601.db2.gz MANJAOQJUMFZAT-KUWBRRTOSA-N 0 3 391.515 4.241 40 0 GIABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(OC4CCCC4)cc3)C[C@H]21 ZINC000072392538 211109276 /nfs/dbraw/zinc/10/92/76/211109276.db2.gz PFSSVHJGKRQVHG-ZWSUVBHBSA-N 0 3 392.543 4.441 40 0 GIABHN CCc1nccn1-c1cccc([C@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000072379224 211107178 /nfs/dbraw/zinc/10/71/78/211107178.db2.gz LAIIGWLQTUBAQA-HXUWFJFHSA-N 0 3 380.467 4.185 40 0 GIABHN COc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC000072358891 211100796 /nfs/dbraw/zinc/10/07/96/211100796.db2.gz XHRYQRSKIATBFQ-HXUWFJFHSA-N 0 3 389.499 4.411 40 0 GIABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000072352498 211096519 /nfs/dbraw/zinc/09/65/19/211096519.db2.gz QVFOQOSPRUFGPY-MRXNPFEDSA-N 0 3 380.513 4.259 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020462338 210337760 /nfs/dbraw/zinc/33/77/60/210337760.db2.gz YYFWJJFSLCACTO-UHFFFAOYSA-N 0 3 380.488 4.348 40 0 GIABHN Nc1n[nH]c2nc([C@@H]3CCCCN3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742904 210291354 /nfs/dbraw/zinc/29/13/54/210291354.db2.gz LTIOMSSKRVTAGG-INIZCTEOSA-N 0 3 389.425 4.329 40 0 GIABHN Nc1[nH]nc2nc([C@@H]3CCCCN3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742904 210291356 /nfs/dbraw/zinc/29/13/56/210291356.db2.gz LTIOMSSKRVTAGG-INIZCTEOSA-N 0 3 389.425 4.329 40 0 GIABHN Cc1ccc(OCCN(C)C)c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1 ZINC000019715626 210287611 /nfs/dbraw/zinc/28/76/11/210287611.db2.gz XOXBALSKFCHDEH-MRXNPFEDSA-N 0 3 399.535 4.327 40 0 GIABHN Cc1c(-c2csc(NC(=O)c3ccccc3CN3CCCCC3)n2)cnn1C ZINC000019654731 210276795 /nfs/dbraw/zinc/27/67/95/210276795.db2.gz LGBZYBSUKDSAJW-UHFFFAOYSA-N 0 3 395.532 4.090 40 0 GIABHN CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NCc1ccccn1 ZINC000067889990 560050125 /nfs/dbraw/zinc/05/01/25/560050125.db2.gz OJLIMRRTLOISQA-VGSWGCGISA-N 0 3 377.488 4.396 40 0 biogenic,in-vitro GIABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3cccs3)c2=O)cc1 ZINC000004237297 560197751 /nfs/dbraw/zinc/19/77/51/560197751.db2.gz FZMUZGVGOBWUMN-ZWKOTPCHSA-N 0 3 392.524 4.205 40 0 biogenic,in-vitro GIABHN CCn1cc(CN2CCC[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)cn1 ZINC000585262692 570230025 /nfs/dbraw/zinc/23/00/25/570230025.db2.gz SSVALAPCEBUXNI-QGZVFWFLSA-N 0 3 382.537 4.186 40 0 GIABHN CCOC(=O)C1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000054218304 570277700 /nfs/dbraw/zinc/27/77/00/570277700.db2.gz OLJQTDMEIJYSTB-QFIPXVFZSA-N 0 3 377.488 4.236 40 0 GIABHN Cc1noc(C)c1CN1CCC2(CC1)c1ccccc1N(c1ccoc1)C2=O ZINC000107465607 570309973 /nfs/dbraw/zinc/30/99/73/570309973.db2.gz NKUIHRCMJYMELW-UHFFFAOYSA-N 0 3 377.444 4.097 40 0 GIABHN O=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222341951 570408735 /nfs/dbraw/zinc/40/87/35/570408735.db2.gz ZABXKTGGHOTGBI-TUACAJSNSA-N 0 3 386.539 4.175 40 0 GIABHN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222953812 570432933 /nfs/dbraw/zinc/43/29/33/570432933.db2.gz VJNNCOVPVGRPQM-VQTJNVASSA-N 0 3 377.517 4.040 40 0 GIABHN O=C(NCCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223415147 570464625 /nfs/dbraw/zinc/46/46/25/570464625.db2.gz HFLCYKOFULTZPP-UHFFFAOYSA-N 0 3 388.486 4.357 40 0 GIABHN C[C@H]1CCCN(c2ncc(CNCCc3ccc(C(F)(F)F)cc3)cn2)C1 ZINC000035316537 570470054 /nfs/dbraw/zinc/47/00/54/570470054.db2.gz KRFQFWINOZBQKL-HNNXBMFYSA-N 0 3 378.442 4.064 40 0 GIABHN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000006517646 570482403 /nfs/dbraw/zinc/48/24/03/570482403.db2.gz NELNGEQETOZMTH-UHFFFAOYSA-N 0 3 378.303 4.388 40 0 GIABHN CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000223826415 570485866 /nfs/dbraw/zinc/48/58/66/570485866.db2.gz PWDHBUBOOWHEJF-HXUWFJFHSA-N 0 3 398.522 4.356 40 0 GIABHN Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030753719 570494703 /nfs/dbraw/zinc/49/47/03/570494703.db2.gz AMXDKLPQBVSLAJ-UHFFFAOYSA-N 0 3 388.515 4.097 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3cc(C)ccc3C)CC2)c1 ZINC000224027693 570495363 /nfs/dbraw/zinc/49/53/63/570495363.db2.gz WDBAZEUEZGKCGL-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2cccc(Oc3ccccc3)c2)C1 ZINC000035622945 570556824 /nfs/dbraw/zinc/55/68/24/570556824.db2.gz NSQRQRJDMLTDCH-NQIIRXRSSA-N 0 3 397.519 4.078 40 0 GIABHN COc1ccc(Cl)cc1NC(=S)NC1CCN(Cc2cccs2)CC1 ZINC000225230680 570558080 /nfs/dbraw/zinc/55/80/80/570558080.db2.gz XNCKPMXAXWGDJS-UHFFFAOYSA-N 0 3 395.981 4.361 40 0 GIABHN O=C(NCCSC1CCCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038852821 570588200 /nfs/dbraw/zinc/58/82/00/570588200.db2.gz DOUABADVHFJMNZ-SFHVURJKSA-N 0 3 378.557 4.220 40 0 GIABHN O=C(NCCSC1CCCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038852823 570588322 /nfs/dbraw/zinc/58/83/22/570588322.db2.gz DOUABADVHFJMNZ-GOSISDBHSA-N 0 3 378.557 4.220 40 0 GIABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c(Cl)c1 ZINC000039964153 570594478 /nfs/dbraw/zinc/59/44/78/570594478.db2.gz YETICSGNGVPPDM-SFHVURJKSA-N 0 3 394.862 4.077 40 0 GIABHN CC(C)c1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964093 570594488 /nfs/dbraw/zinc/59/44/88/570594488.db2.gz WPCPFPHBDKHLHH-FQEVSTJZSA-N 0 3 388.471 4.239 40 0 GIABHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964145 570594753 /nfs/dbraw/zinc/59/47/53/570594753.db2.gz NASWILVRGKHAFH-SFHVURJKSA-N 0 3 394.862 4.077 40 0 GIABHN COc1cc(CN(CCCn2ccnc2)Cc2ccccc2C)cc2c1OCO2 ZINC000043277698 570626149 /nfs/dbraw/zinc/62/61/49/570626149.db2.gz BNKMPHHDKMWFKA-UHFFFAOYSA-N 0 3 393.487 4.021 40 0 GIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]nc2-c2cccs2)o1 ZINC000043277754 570626214 /nfs/dbraw/zinc/62/62/14/570626214.db2.gz RFTYFZNJNZJFRJ-UHFFFAOYSA-N 0 3 381.505 4.329 40 0 GIABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292171 570633295 /nfs/dbraw/zinc/63/32/95/570633295.db2.gz MUUWXTGWWOSOBV-IBGZPJMESA-N 0 3 379.422 4.031 40 0 GIABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293450 570633733 /nfs/dbraw/zinc/63/37/33/570633733.db2.gz XSFOFHBZXMJTLD-PMACEKPBSA-N 0 3 387.907 4.033 40 0 GIABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293577 570633917 /nfs/dbraw/zinc/63/39/17/570633917.db2.gz GOQSFCPKIPESES-GOTSBHOMSA-N 0 3 389.495 4.224 40 0 GIABHN COc1ccccc1CCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044906710 570642007 /nfs/dbraw/zinc/64/20/07/570642007.db2.gz ZCJCJCYUIWUEBK-UHFFFAOYSA-N 0 3 380.532 4.290 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000044911460 570642252 /nfs/dbraw/zinc/64/22/52/570642252.db2.gz DOVDXUZWNRUHEU-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000044911457 570642511 /nfs/dbraw/zinc/64/25/11/570642511.db2.gz IUYYFNOEDPVUPM-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625739 570665445 /nfs/dbraw/zinc/66/54/45/570665445.db2.gz UTQAWKRUTNWPHS-WMLDXEAASA-N 0 3 388.943 4.091 40 0 GIABHN O=C(OCc1ccccc1)N1C[C@@H](OCc2ccccc2)C[C@@H]1CN1CCCC1 ZINC000012650996 570695076 /nfs/dbraw/zinc/69/50/76/570695076.db2.gz RWSANADENYLJKX-PKTZIBPZSA-N 0 3 394.515 4.079 40 0 GIABHN COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260836960 570709609 /nfs/dbraw/zinc/70/96/09/570709609.db2.gz BWKKLAYKTFBJSC-WMZOPIPTSA-N 0 3 386.923 4.438 40 0 GIABHN COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260836958 570709619 /nfs/dbraw/zinc/70/96/19/570709619.db2.gz BWKKLAYKTFBJSC-AEFFLSMTSA-N 0 3 386.923 4.438 40 0 GIABHN Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOCC1CCCC1 ZINC000248016047 570719676 /nfs/dbraw/zinc/71/96/76/570719676.db2.gz HPYPNRYCXMFEPH-LJQANCHMSA-N 0 3 378.582 4.420 40 0 GIABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1cccc(Br)c1 ZINC000089212753 570747924 /nfs/dbraw/zinc/74/79/24/570747924.db2.gz LSPYZKHPNHTEIH-MRXNPFEDSA-N 0 3 383.330 4.328 40 0 GIABHN CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)CC1 ZINC000257295950 570903837 /nfs/dbraw/zinc/90/38/37/570903837.db2.gz RAPDYNHTPZMWJN-GNJRFXKQSA-N 0 3 384.564 4.061 40 0 GIABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000585100271 570923928 /nfs/dbraw/zinc/92/39/28/570923928.db2.gz JFPXLCRDKZOTKW-DEOSSOPVSA-N 0 3 378.516 4.243 40 0 GIABHN Cc1ncc(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100628 570924705 /nfs/dbraw/zinc/92/47/05/570924705.db2.gz QRKHYNVNUOVAJS-NRFANRHFSA-N 0 3 375.582 4.379 40 0 GIABHN Cc1nc(COCC[C@@H]2CCOC23CCN(Cc2ccco2)CC3)cs1 ZINC000585103561 570932145 /nfs/dbraw/zinc/93/21/45/570932145.db2.gz BRHOTCZZEWZNEM-QGZVFWFLSA-N 0 3 376.522 4.023 40 0 GIABHN COc1cccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c1 ZINC000019564650 210266379 /nfs/dbraw/zinc/26/63/79/210266379.db2.gz MLVVJFADVZUJJW-HSZRJFAPSA-N 0 3 394.515 4.003 40 0 GIABHN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC000019560178 210263776 /nfs/dbraw/zinc/26/37/76/210263776.db2.gz FYQCRGMKAWFBIM-NZQKXSOJSA-N 0 3 394.515 4.204 40 0 GIABHN CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C)n1 ZINC000328965296 529375768 /nfs/dbraw/zinc/37/57/68/529375768.db2.gz CCVHURJPEWZPAI-GFCCVEGCSA-N 0 3 375.314 4.321 40 0 GIABHN NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019374147 210246674 /nfs/dbraw/zinc/24/66/74/210246674.db2.gz NSDPLDCWUPTJPW-RUZDIDTESA-N 0 3 385.511 4.059 40 0 GIABHN O=C(c1cc([C@H]2CCCN(Cc3cccc4ccccc43)C2)no1)N1CCCC1 ZINC000019376378 210246278 /nfs/dbraw/zinc/24/62/78/210246278.db2.gz LBPXTVTZIIIFFX-FQEVSTJZSA-N 0 3 389.499 4.443 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1C ZINC000013675205 210078316 /nfs/dbraw/zinc/07/83/16/210078316.db2.gz YXUKFJUAKWRUKA-UHFFFAOYSA-N 0 3 380.488 4.410 40 0 GIABHN Cc1ccnn1CCNCc1cc(-c2ccc(F)cc2)cnc1-c1ccncc1 ZINC000013227763 210054869 /nfs/dbraw/zinc/05/48/69/210054869.db2.gz LRIHBDUGYOWSSE-UHFFFAOYSA-N 0 3 387.462 4.244 40 0 GIABHN CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)CC1 ZINC000012291552 209931392 /nfs/dbraw/zinc/93/13/92/209931392.db2.gz ADWMWGGIFXIUCY-QHCPKHFHSA-N 0 3 396.506 4.184 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 ZINC000001370580 209323870 /nfs/dbraw/zinc/32/38/70/209323870.db2.gz ZKSIBSCGCGHHDP-SEJPIABJSA-N 0 3 378.516 4.319 40 0 GIABHN Fc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 ZINC000306144166 212055069 /nfs/dbraw/zinc/05/50/69/212055069.db2.gz YXYRVWGELWOWEG-JOCHJYFZSA-N 0 3 381.426 4.003 40 0 GIABHN c1cc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306138228 212053423 /nfs/dbraw/zinc/05/34/23/212053423.db2.gz RSSGXEVUMGLWGY-LJQANCHMSA-N 0 3 375.501 4.232 40 0 GIABHN Cc1ccsc1CN1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138541 212052376 /nfs/dbraw/zinc/05/23/76/212052376.db2.gz SAEPEBHZLZEPOC-WOJBJXKFSA-N 0 3 395.503 4.079 40 0 GIABHN Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306135868 212051706 /nfs/dbraw/zinc/05/17/06/212051706.db2.gz PDHWPWCQPBOVID-QHCPKHFHSA-N 0 3 377.463 4.173 40 0 GIABHN COc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306136317 212051770 /nfs/dbraw/zinc/05/17/70/212051770.db2.gz PPYQHLZITCCUKM-OAQYLSRUSA-N 0 3 399.498 4.180 40 0 GIABHN Cc1ccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)s1 ZINC000306135080 212050860 /nfs/dbraw/zinc/05/08/60/212050860.db2.gz OHJGWNVEKAHWRJ-QFIPXVFZSA-N 0 3 376.529 4.010 40 0 GIABHN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306130780 212049035 /nfs/dbraw/zinc/04/90/35/212049035.db2.gz JPFNYXZCDJTZJU-HSZRJFAPSA-N 0 3 377.463 4.173 40 0 GIABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccc(F)cc2)s1 ZINC000306131078 212048820 /nfs/dbraw/zinc/04/88/20/212048820.db2.gz JVYXNAJAEQDNCF-LEWJYISDSA-N 0 3 395.503 4.079 40 0 GIABHN Fc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306130643 212048396 /nfs/dbraw/zinc/04/83/96/212048396.db2.gz JMEMXGPPJPAQPT-JOCHJYFZSA-N 0 3 381.426 4.003 40 0 GIABHN Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125430 212045394 /nfs/dbraw/zinc/04/53/94/212045394.db2.gz CQPAMJDHTGFXDH-HSZRJFAPSA-N 0 3 377.463 4.173 40 0 GIABHN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257334888 212026197 /nfs/dbraw/zinc/02/61/97/212026197.db2.gz YHUJOOZSELWNFW-MRXNPFEDSA-N 0 3 393.466 4.324 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)c1 ZINC000101168515 211396814 /nfs/dbraw/zinc/39/68/14/211396814.db2.gz ZBLYLOUOOPRVGQ-ZLNRFVROSA-N 0 3 398.462 4.355 40 0 GIABHN Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000100750222 211390642 /nfs/dbraw/zinc/39/06/42/211390642.db2.gz DILLVVLYHKUSGS-IMSXRSKXSA-N 0 3 379.548 4.158 40 0 GIABHN Cc1ccc(CN2CC[C@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)cc1 ZINC000096244649 211324530 /nfs/dbraw/zinc/32/45/30/211324530.db2.gz SYFWBXDTNVZPNY-VWLOTQADSA-N 0 3 385.511 4.434 40 0 GIABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)cc1 ZINC000096244648 211324172 /nfs/dbraw/zinc/32/41/72/211324172.db2.gz SYFWBXDTNVZPNY-RUZDIDTESA-N 0 3 385.511 4.434 40 0 GIABHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096100273 211302276 /nfs/dbraw/zinc/30/22/76/211302276.db2.gz PLCMRYQWVLDZLF-QFIPXVFZSA-N 0 3 378.491 4.401 40 0 GIABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096053048 211298333 /nfs/dbraw/zinc/29/83/33/211298333.db2.gz AQNBMEZRNRDBLU-FQEVSTJZSA-N 0 3 391.559 4.361 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052681 211296783 /nfs/dbraw/zinc/29/67/83/211296783.db2.gz YSOSIWXTARBOEA-OAQYLSRUSA-N 0 3 389.543 4.019 40 0 GIABHN COc1cccc(OCCc2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)[nH]n2)c1 ZINC000072371211 211103280 /nfs/dbraw/zinc/10/32/80/211103280.db2.gz JSOAMIPFZRMPQF-GOSISDBHSA-N 0 3 395.478 4.168 40 0 GIABHN COc1cccc(OCCc2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)n[nH]2)c1 ZINC000072371211 211103284 /nfs/dbraw/zinc/10/32/84/211103284.db2.gz JSOAMIPFZRMPQF-GOSISDBHSA-N 0 3 395.478 4.168 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)c(C)n1 ZINC000072376057 211104486 /nfs/dbraw/zinc/10/44/86/211104486.db2.gz GUJCIZMTVVSPOG-IBGZPJMESA-N 0 3 390.535 4.433 40 0 GIABHN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000072354861 211098445 /nfs/dbraw/zinc/09/84/45/211098445.db2.gz XVKZLFBTYGTOJK-HXUWFJFHSA-N 0 3 396.441 4.220 40 0 GIABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1nccc2ccccc21 ZINC000019589248 210273597 /nfs/dbraw/zinc/27/35/97/210273597.db2.gz ZQVSOHAEZZAPPS-MQSCRBSSSA-N 0 3 389.474 4.076 40 0 GIABHN O=C1CCCN1C[C@@H]1CCCN(CC2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000012364533 221184929 /nfs/dbraw/zinc/18/49/29/221184929.db2.gz VMKSBSDSFDTNRG-OAHLLOKOSA-N 0 3 381.347 4.359 40 0 GIABHN CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585270115 570238607 /nfs/dbraw/zinc/23/86/07/570238607.db2.gz FRDJSOSDSNHGAV-DEOSSOPVSA-N 0 3 396.531 4.058 40 0 GIABHN CCOc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585288936 570256921 /nfs/dbraw/zinc/25/69/21/570256921.db2.gz LJABUQKWQUDSNK-PWRODBHTSA-N 0 3 375.896 4.189 40 0 GIABHN CN1CCCC[C@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 ZINC000022002228 570301506 /nfs/dbraw/zinc/30/15/06/570301506.db2.gz OEYDBWKMXFZENQ-SFHVURJKSA-N 0 3 381.907 4.298 40 0 GIABHN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000022068170 570304326 /nfs/dbraw/zinc/30/43/26/570304326.db2.gz VJHNODNCVVSWKE-UHFFFAOYSA-N 0 3 377.488 4.052 40 0 GIABHN CCCCN1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216467 570317393 /nfs/dbraw/zinc/31/73/93/570317393.db2.gz VSNSVOSKRVVHBQ-LJQANCHMSA-N 0 3 388.556 4.076 40 0 GIABHN CCCN1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216480 570317427 /nfs/dbraw/zinc/31/74/27/570317427.db2.gz UFAMEDMPFIVVNN-LJQANCHMSA-N 0 3 388.556 4.076 40 0 GIABHN COC(=O)c1ccc(-c2ccc(CNCCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000022076816 570320956 /nfs/dbraw/zinc/32/09/56/570320956.db2.gz UPUCDBICUHZFDA-UHFFFAOYSA-N 0 3 395.455 4.083 40 0 GIABHN CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000004888021 570415774 /nfs/dbraw/zinc/41/57/74/570415774.db2.gz DKEHDHZBWVQWMT-YQQQUEKLSA-N 0 3 383.492 4.386 40 0 GIABHN CCN(CC)CCn1nc(Cc2ccc(OC(C)C)cc2)c2ccccc2c1=O ZINC000005469650 570441252 /nfs/dbraw/zinc/44/12/52/570441252.db2.gz ZZMIIPADNVKBIR-UHFFFAOYSA-N 0 3 393.531 4.116 40 0 GIABHN CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039743441 570446945 /nfs/dbraw/zinc/44/69/45/570446945.db2.gz ZZBSPCWVWUKRGI-UHFFFAOYSA-N 0 3 393.531 4.066 40 0 GIABHN CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000223794115 570485366 /nfs/dbraw/zinc/48/53/66/570485366.db2.gz PCSLMQZBPPFXRR-UHFFFAOYSA-N 0 3 398.522 4.356 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3cccc(C)c3C)CC2)c1 ZINC000223948277 570491370 /nfs/dbraw/zinc/49/13/70/570491370.db2.gz MGTASSVQQYNLCS-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)COc3cccc4c3CCCC4)cc2)CC1 ZINC000224782696 570530441 /nfs/dbraw/zinc/53/04/41/570530441.db2.gz SIHNNZCMDKRLLB-UHFFFAOYSA-N 0 3 394.515 4.056 40 0 GIABHN Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224840512 570533432 /nfs/dbraw/zinc/53/34/32/570533432.db2.gz WJEHUJYBRQVNFR-FQEVSTJZSA-N 0 3 380.532 4.373 40 0 GIABHN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849400 570587616 /nfs/dbraw/zinc/58/76/16/570587616.db2.gz KFDNCCNZAVXGID-HNNXBMFYSA-N 0 3 376.859 4.338 40 0 GIABHN CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225618595 570594921 /nfs/dbraw/zinc/59/49/21/570594921.db2.gz ZRAHWDNVMPWOAJ-JOCHJYFZSA-N 0 3 376.541 4.331 40 0 GIABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1 ZINC000225668493 570600601 /nfs/dbraw/zinc/60/06/01/570600601.db2.gz SSXGVMNCUUSHFB-UHFFFAOYSA-N 0 3 388.552 4.475 40 0 GIABHN CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1)C1CC1 ZINC000225671999 570600977 /nfs/dbraw/zinc/60/09/77/570600977.db2.gz SATCEJMGZDBSMG-HSZRJFAPSA-N 0 3 388.552 4.331 40 0 GIABHN CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225730303 570610197 /nfs/dbraw/zinc/61/01/97/570610197.db2.gz DBOSKRQTHVLREE-JOCHJYFZSA-N 0 3 376.541 4.331 40 0 GIABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292187 570633276 /nfs/dbraw/zinc/63/32/76/570633276.db2.gz NVSUEPUFZJBFGK-LJQANCHMSA-N 0 3 379.422 4.031 40 0 GIABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293359 570633846 /nfs/dbraw/zinc/63/38/46/570633846.db2.gz MBPVCSLHIRXDDK-PKTZIBPZSA-N 0 3 389.495 4.224 40 0 GIABHN COc1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)ccc1OC(C)C ZINC000044905312 570641920 /nfs/dbraw/zinc/64/19/20/570641920.db2.gz ZTXQMGWZPXWJHE-UHFFFAOYSA-N 0 3 396.531 4.398 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000044911870 570642402 /nfs/dbraw/zinc/64/24/02/570642402.db2.gz DNJSUICHJUSMNF-UHFFFAOYSA-N 0 3 394.515 4.331 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)NCc2ccccc2)C3)cc1 ZINC000004887950 570642773 /nfs/dbraw/zinc/64/27/73/570642773.db2.gz TXXDTDXKRJPRCF-FRIKZZABSA-N 0 3 393.531 4.080 40 0 GIABHN CN(CCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000260508132 570684180 /nfs/dbraw/zinc/68/41/80/570684180.db2.gz PTTATSXHYAXWGI-FQEVSTJZSA-N 0 3 399.966 4.195 40 0 GIABHN Cc1ccccc1NC(=[NH2+])Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009264438 570775371 /nfs/dbraw/zinc/77/53/71/570775371.db2.gz IHXQUVYLJDNZPD-UHFFFAOYSA-N 0 3 399.907 4.483 40 0 GIABHN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)cc1 ZINC000020503355 575369615 /nfs/dbraw/zinc/36/96/15/575369615.db2.gz WZPCNJINMOWRMM-FUHWJXTLSA-N 0 3 392.524 4.205 40 0 biogenic,in-vitro GIABHN Cc1c(CN2CC[C@@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000019704539 818601881 /nfs/dbraw/zinc/60/18/81/818601881.db2.gz ADOXTCQPSRGSDD-LJQANCHMSA-N 0 3 393.535 4.144 40 0 GIABHN CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN(C)Cc2ccccc2)C1 ZINC000019498692 210253752 /nfs/dbraw/zinc/25/37/52/210253752.db2.gz WAYYMRICDSPSIJ-IBGZPJMESA-N 0 3 390.531 4.311 40 0 GIABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000019446666 210249688 /nfs/dbraw/zinc/24/96/88/210249688.db2.gz ZKHZGQPOXIOMLL-GBXCKJPGSA-N 0 3 395.547 4.206 40 0 GIABHN O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019406531 210248254 /nfs/dbraw/zinc/24/82/54/210248254.db2.gz DBIJRSZPIHQDFL-VAMGGRTRSA-N 0 3 386.586 4.426 40 0 GIABHN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C[C@@H]3CCOC3)cc2N1 ZINC000019451294 210248110 /nfs/dbraw/zinc/24/81/10/210248110.db2.gz OWPRLUNJDLJKOA-XJNFMUPTSA-N 0 3 386.462 4.000 40 0 GIABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000013757447 210088246 /nfs/dbraw/zinc/08/82/46/210088246.db2.gz MMPNJVSWEOJWGD-OTWHNJEPSA-N 0 3 384.863 4.209 40 0 GIABHN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002271680 209353953 /nfs/dbraw/zinc/35/39/53/209353953.db2.gz NENICZBEIUETKY-IQMFZBJNSA-N 0 3 397.519 4.102 40 0 GIABHN Cc1ccsc1CN1CC[C@]2(C1)CN(Cc1ccccn1)c1cccnc12 ZINC000306143854 212055708 /nfs/dbraw/zinc/05/57/08/212055708.db2.gz YOORSNHTCHOKTB-QFIPXVFZSA-N 0 3 376.529 4.010 40 0 GIABHN Cc1ccsc1CN1CC[C@]2(C1)CN(C(=O)c1ccsc1)c1cccnc12 ZINC000306144669 212055148 /nfs/dbraw/zinc/05/51/48/212055148.db2.gz ZLSNUVBBXYFKPW-NRFANRHFSA-N 0 3 395.553 4.317 40 0 GIABHN Cc1ccc(CN2CC[C@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)s1 ZINC000306132722 212049416 /nfs/dbraw/zinc/04/94/16/212049416.db2.gz LQILQEPBYKZMOW-NRFANRHFSA-N 0 3 395.553 4.317 40 0 GIABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131080 212049111 /nfs/dbraw/zinc/04/91/11/212049111.db2.gz JVYXNAJAEQDNCF-RTWAWAEBSA-N 0 3 395.503 4.079 40 0 GIABHN CNc1ncccc1CN1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 ZINC000257322970 212023651 /nfs/dbraw/zinc/02/36/51/212023651.db2.gz WIGZTLUIUCTOKU-UHFFFAOYSA-N 0 3 377.492 4.170 40 0 GIABHN Cc1ccc(C(=O)CCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000257296547 212020814 /nfs/dbraw/zinc/02/08/14/212020814.db2.gz RDHLMJGVOHIQGZ-FQEVSTJZSA-N 0 3 375.472 4.497 40 0 GIABHN COc1ccccc1OCc1cc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 ZINC000257267976 212013893 /nfs/dbraw/zinc/01/38/93/212013893.db2.gz MJTDCZIJGFFTPQ-QGZVFWFLSA-N 0 3 381.451 4.126 40 0 GIABHN O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627726 211344749 /nfs/dbraw/zinc/34/47/49/211344749.db2.gz JQJNERCKHSFXES-LJQANCHMSA-N 0 3 381.495 4.277 40 0 GIABHN CCS(=O)(=O)N1CCC[C@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071276 211297841 /nfs/dbraw/zinc/29/78/41/211297841.db2.gz MNSZGSLDLGOUET-HSZRJFAPSA-N 0 3 398.572 4.134 40 0 GIABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000096052630 211297115 /nfs/dbraw/zinc/29/71/15/211297115.db2.gz FQTGRHNTXNNJJP-IBGZPJMESA-N 0 3 377.532 4.017 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)s1 ZINC000096036983 211296471 /nfs/dbraw/zinc/29/64/71/211296471.db2.gz BOZHODLRLSLTMS-UHFFFAOYSA-N 0 3 392.572 4.357 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398562 211112904 /nfs/dbraw/zinc/11/29/04/211112904.db2.gz PJTRSEHMOFUPPA-PPIOEHGWSA-N 0 3 389.543 4.464 40 0 GIABHN Cc1c2cc(F)ccc2[nH]c1CN1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000072392527 211110030 /nfs/dbraw/zinc/11/00/30/211110030.db2.gz KPXBSUSZQCHKHD-QUZZAMIASA-N 0 3 379.479 4.048 40 0 GIABHN CCn1cc(CN2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)c(C)n1 ZINC000072374258 211105541 /nfs/dbraw/zinc/10/55/41/211105541.db2.gz RXEBSDBPSVNRLD-UHFFFAOYSA-N 0 3 390.535 4.433 40 0 GIABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072344784 211095458 /nfs/dbraw/zinc/09/54/58/211095458.db2.gz FNFCFXKZBPRWKP-NRFANRHFSA-N 0 3 388.515 4.062 40 0 GIABHN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000072354859 211099344 /nfs/dbraw/zinc/09/93/44/211099344.db2.gz FEGCIVIWWWSNLG-HXUWFJFHSA-N 0 3 396.441 4.220 40 0 GIABHN NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000072348591 211096025 /nfs/dbraw/zinc/09/60/25/211096025.db2.gz GBMOZUJYLWCEQI-HXUWFJFHSA-N 0 3 389.474 4.366 40 0 GIABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000072330383 211092009 /nfs/dbraw/zinc/09/20/09/211092009.db2.gz ZKHZGQPOXIOMLL-YKSBVNFPSA-N 0 3 395.547 4.206 40 0 GIABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330382 211091391 /nfs/dbraw/zinc/09/13/91/211091391.db2.gz OWBSAKCTQZGDKT-RDPSFJRHSA-N 0 3 395.547 4.206 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000044911694 210817156 /nfs/dbraw/zinc/81/71/56/210817156.db2.gz FRCVECIPDBWLTB-UHFFFAOYSA-N 0 3 398.478 4.162 40 0 GIABHN CC(C)[C@@H](NCc1ccc(F)cc1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744444 519799179 /nfs/dbraw/zinc/79/91/79/519799179.db2.gz KKOCJOVNNHYTFI-JOCHJYFZSA-N 0 3 391.450 4.123 40 0 GIABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccccc4)c23)cc1 ZINC000004258815 560197976 /nfs/dbraw/zinc/19/79/76/560197976.db2.gz MVMYLJBOPMRACS-PZJWPPBQSA-N 0 3 386.495 4.143 40 0 biogenic,in-vitro GIABHN Cc1cnc(Nc2cccc(CC3CCN(Cc4ccncc4)CC3)n2)s1 ZINC000585262475 570230486 /nfs/dbraw/zinc/23/04/86/570230486.db2.gz AKBIBXSNWCMPTQ-UHFFFAOYSA-N 0 3 379.533 4.440 40 0 GIABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000585288799 570256716 /nfs/dbraw/zinc/25/67/16/570256716.db2.gz ABMDRXNHSRMPGY-GVDBMIGSSA-N 0 3 377.834 4.275 40 0 GIABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288066 570258954 /nfs/dbraw/zinc/25/89/54/570258954.db2.gz VHWZPWBOIKNBFL-HOIFWPIMSA-N 0 3 397.506 4.012 40 0 GIABHN CC(C)c1ccccc1OCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000222815335 570427409 /nfs/dbraw/zinc/42/74/09/570427409.db2.gz AUSYAEMGVDVMJM-UHFFFAOYSA-N 0 3 382.504 4.301 40 0 GIABHN C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223225559 570450951 /nfs/dbraw/zinc/45/09/51/570450951.db2.gz PNUJXVFOYRYCFC-KRWDZBQOSA-N 0 3 380.507 4.404 40 0 GIABHN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000223759204 570483539 /nfs/dbraw/zinc/48/35/39/570483539.db2.gz BYFNTKTYHLYLDS-GOSISDBHSA-N 0 3 396.531 4.102 40 0 GIABHN CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224015793 570494606 /nfs/dbraw/zinc/49/46/06/570494606.db2.gz WEYKWPKDKZWBNJ-OAQYLSRUSA-N 0 3 382.523 4.479 40 0 GIABHN CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCCC3)cc2)ccc1Cl ZINC000030862588 570499539 /nfs/dbraw/zinc/49/95/39/570499539.db2.gz DNVDBQJLMNJDFY-UHFFFAOYSA-N 0 3 386.879 4.365 40 0 GIABHN Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224832332 570533135 /nfs/dbraw/zinc/53/31/35/570533135.db2.gz NFGDCWCPVOZFTJ-FQEVSTJZSA-N 0 3 380.532 4.373 40 0 GIABHN CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840620 570533460 /nfs/dbraw/zinc/53/34/60/570533460.db2.gz PWGCSKWPMUKBDC-OAQYLSRUSA-N 0 3 396.531 4.155 40 0 GIABHN COc1ccc2[nH]cc([C@@H](O)CN3CCC[C@H](COc4ccccc4F)C3)c2c1 ZINC000036743796 570569886 /nfs/dbraw/zinc/56/98/86/570569886.db2.gz LXLWQXIHUUKAHK-AOMKIAJQSA-N 0 3 398.478 4.140 40 0 GIABHN CC(C)(C)c1n[nH]cc1CN1CCC(c2nc3ccc(F)cc3cc2N)CC1 ZINC000012087931 570606605 /nfs/dbraw/zinc/60/66/05/570606605.db2.gz KMMXOSTVBVUCNB-UHFFFAOYSA-N 0 3 381.499 4.356 40 0 GIABHN COc1cc(CN(CCCn2ccnc2)Cc2ccc(C)s2)cc2c1OCO2 ZINC000043277890 570627126 /nfs/dbraw/zinc/62/71/26/570627126.db2.gz ADKHEGOITKEHQC-UHFFFAOYSA-N 0 3 399.516 4.083 40 0 GIABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000012239708 570630099 /nfs/dbraw/zinc/63/00/99/570630099.db2.gz BPCOLHBZMVCFPA-SFHVURJKSA-N 0 3 385.577 4.268 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3ccc(Oc4ncccn4)cc3)CC2)cc1 ZINC000012292885 570633699 /nfs/dbraw/zinc/63/36/99/570633699.db2.gz QCVUDNAAZPNSCD-UHFFFAOYSA-N 0 3 375.472 4.061 40 0 GIABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293356 570633779 /nfs/dbraw/zinc/63/37/79/570633779.db2.gz GKHFHKBFACPTQC-PMACEKPBSA-N 0 3 387.907 4.033 40 0 GIABHN CCOc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044851477 570636074 /nfs/dbraw/zinc/63/60/74/570636074.db2.gz PBAUPCPQVCGYBY-UHFFFAOYSA-N 0 3 380.532 4.434 40 0 GIABHN Cc1c(/C=C/C2=CCN(C)CC2)c2ccccc2n1CC(=O)N1CCCCC1 ZINC000004933146 570650124 /nfs/dbraw/zinc/65/01/24/570650124.db2.gz FXAYTKGRFUNDIT-ZHACJKMWSA-N 0 3 377.532 4.237 40 0 GIABHN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccccc2Br)C1 ZINC000089212681 570747899 /nfs/dbraw/zinc/74/78/99/570747899.db2.gz GFWQQYWGRLOOQZ-CQSZACIVSA-N 0 3 383.330 4.186 40 0 GIABHN Cc1nc(COCC[C@H]2CCOC23CCN(Cc2ccco2)CC3)cs1 ZINC000585103553 570932256 /nfs/dbraw/zinc/93/22/56/570932256.db2.gz BRHOTCZZEWZNEM-KRWDZBQOSA-N 0 3 376.522 4.023 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc1 ZINC000019555167 210261904 /nfs/dbraw/zinc/26/19/04/210261904.db2.gz GRHBTZFMFVRTMC-SFHVURJKSA-N 0 3 397.519 4.125 40 0 GIABHN Cc1sc(NC(=O)c2ccccc2OCCN(C)C)nc1-c1ccc(F)cc1 ZINC000019555622 210261450 /nfs/dbraw/zinc/26/14/50/210261450.db2.gz LLCRTVSKNIIXNW-UHFFFAOYSA-N 0 3 399.491 4.450 40 0 GIABHN CCOc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1OC ZINC000019533759 210259131 /nfs/dbraw/zinc/25/91/31/210259131.db2.gz FRKMUTGADMSDMA-UHFFFAOYSA-N 0 3 377.488 4.417 40 0 GIABHN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C[C@@H]3CCOC3)cc2N1 ZINC000019451292 210249232 /nfs/dbraw/zinc/24/92/32/210249232.db2.gz OWPRLUNJDLJKOA-NXNVCVFFSA-N 0 3 386.462 4.000 40 0 GIABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000019402291 210248070 /nfs/dbraw/zinc/24/80/70/210248070.db2.gz WOYXFKNYVSZXOA-KWOQKUFVSA-N 0 3 378.516 4.133 40 0 GIABHN O=C(c1cccc(Br)c1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408607345 231077429 /nfs/dbraw/zinc/07/74/29/231077429.db2.gz LDTHLYVYXLFJNL-FQEVSTJZSA-N 0 3 399.332 4.112 40 0 GIABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1cccc(C)n1 ZINC000019236332 210233337 /nfs/dbraw/zinc/23/33/37/210233337.db2.gz TXCGGYUINRFLRW-VXNXHJTFSA-N 0 3 395.522 4.288 40 0 GIABHN Cc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1C ZINC000019213945 210230765 /nfs/dbraw/zinc/23/07/65/210230765.db2.gz ACPWVUXUKWACRT-UHFFFAOYSA-N 0 3 389.425 4.140 40 0 GIABHN CCN(CC)CCOC(=O)C(OCC(C)C)(c1ccccc1)c1ccccc1 ZINC000001608963 209333683 /nfs/dbraw/zinc/33/36/83/209333683.db2.gz OQUMNEUMHAFKEK-UHFFFAOYSA-N 0 3 383.532 4.488 40 0 GIABHN CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O ZINC000001640539 209335959 /nfs/dbraw/zinc/33/59/59/209335959.db2.gz BKMRLPDOTVKGIM-UHFFFAOYSA-N 0 3 391.540 4.172 40 0 GIABHN Cc1ncsc1CN1CC[C@]2(C1)CN(Cc1ccccc1)c1cccnc12 ZINC000306145131 212056780 /nfs/dbraw/zinc/05/67/80/212056780.db2.gz ZZCQSMHUTMFKFJ-QFIPXVFZSA-N 0 3 376.529 4.010 40 0 GIABHN Fc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141448 212055563 /nfs/dbraw/zinc/05/55/63/212055563.db2.gz VWMGKSGUNVTZAT-HXUWFJFHSA-N 0 3 387.462 4.310 40 0 GIABHN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C4CCC4)C3)nn2c1 ZINC000306136367 212050593 /nfs/dbraw/zinc/05/05/93/212050593.db2.gz PRJHNBLRWULAFM-MRXNPFEDSA-N 0 3 380.467 4.276 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306131129 212048698 /nfs/dbraw/zinc/04/86/98/212048698.db2.gz JXJSNMFKEVFXGN-OAQYLSRUSA-N 0 3 399.498 4.180 40 0 GIABHN CCn1cc(CN2CCC(c3cccc(Nc4ncccc4C)n3)CC2)c(C)n1 ZINC000257248843 212010428 /nfs/dbraw/zinc/01/04/28/212010428.db2.gz JFLUZNJMBFHTNP-UHFFFAOYSA-N 0 3 390.535 4.433 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)c1 ZINC000101168502 211397054 /nfs/dbraw/zinc/39/70/54/211397054.db2.gz ZBLYLOUOOPRVGQ-VJBWXMMDSA-N 0 3 398.462 4.355 40 0 GIABHN CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000100750197 211390015 /nfs/dbraw/zinc/39/00/15/211390015.db2.gz DEPWMDAOCPZFAD-YYDVJCTNSA-N 0 3 395.547 4.319 40 0 GIABHN Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(Cc2ccc(F)cc2)C1 ZINC000096244651 211325020 /nfs/dbraw/zinc/32/50/20/211325020.db2.gz FFQYJHNMSVHZMR-DEOSSOPVSA-N 0 3 389.474 4.265 40 0 GIABHN Cn1cnc2c1cc(C1CCN(Cc3cccnc3)CC1)nc2-c1ccccc1 ZINC000096155582 211313221 /nfs/dbraw/zinc/31/32/21/211313221.db2.gz ZQMPNKBHCUXWPY-UHFFFAOYSA-N 0 3 383.499 4.410 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052679 211297330 /nfs/dbraw/zinc/29/73/30/211297330.db2.gz BSNCFMKUWDPCFO-OAQYLSRUSA-N 0 3 389.543 4.019 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)NCC1CC1 ZINC000096052660 211297130 /nfs/dbraw/zinc/29/71/30/211297130.db2.gz PEVPCFFAVHETKY-IBGZPJMESA-N 0 3 378.516 4.217 40 0 GIABHN COc1cccc(CN2CCC3(CCN(C(=O)c4ccc(C)c(C)c4)C3)CC2)c1 ZINC000096046650 211296510 /nfs/dbraw/zinc/29/65/10/211296510.db2.gz QOIJHPBZHMDYLM-UHFFFAOYSA-N 0 3 392.543 4.440 40 0 GIABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3ccc(F)cc3)C2)[nH]n1 ZINC000072371209 211103724 /nfs/dbraw/zinc/10/37/24/211103724.db2.gz COINSKNOAXSZFE-GOSISDBHSA-N 0 3 395.478 4.168 40 0 GIABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 ZINC000072371209 211103729 /nfs/dbraw/zinc/10/37/29/211103729.db2.gz COINSKNOAXSZFE-GOSISDBHSA-N 0 3 395.478 4.168 40 0 GIABHN CCCN1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370386 211103380 /nfs/dbraw/zinc/10/33/80/211103380.db2.gz ZIGRCXZZBWYNDO-KRWDZBQOSA-N 0 3 386.561 4.181 40 0 GIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398574 211112790 /nfs/dbraw/zinc/11/27/90/211112790.db2.gz PLQGSVHFEFTNAQ-KNQAVFIVSA-N 0 3 395.547 4.206 40 0 GIABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398573 211112721 /nfs/dbraw/zinc/11/27/21/211112721.db2.gz XGORMNGAWILSHX-UGKGYDQZSA-N 0 3 395.547 4.206 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(Cc4ccc(F)cc4)C3)cc2n1 ZINC000072397151 211112526 /nfs/dbraw/zinc/11/25/26/211112526.db2.gz LMDOVUYHDLEJNF-CQSZACIVSA-N 0 3 378.373 4.185 40 0 GIABHN Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375756 211105323 /nfs/dbraw/zinc/10/53/23/211105323.db2.gz MAEVPWKLPWFWMA-NRFANRHFSA-N 0 3 384.487 4.444 40 0 GIABHN CCn1ncc(CN2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)c1C ZINC000072374251 211104894 /nfs/dbraw/zinc/10/48/94/211104894.db2.gz JZYUGRKITXUMRN-UHFFFAOYSA-N 0 3 390.535 4.433 40 0 GIABHN CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072350508 211097471 /nfs/dbraw/zinc/09/74/71/211097471.db2.gz KOBPNLQWCRETHU-GOSISDBHSA-N 0 3 379.483 4.304 40 0 GIABHN Cc1cccc(CN2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000072330396 211091207 /nfs/dbraw/zinc/09/12/07/211091207.db2.gz OVKDWHDBSHTJCI-REWPJTCUSA-N 0 3 392.547 4.045 40 0 GIABHN CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000019718472 210288768 /nfs/dbraw/zinc/28/87/68/210288768.db2.gz DNVSMCNXFOHHKH-QGZVFWFLSA-N 0 3 376.504 4.394 40 0 GIABHN CNc1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019592205 210274448 /nfs/dbraw/zinc/27/44/48/210274448.db2.gz INMPBUZTAKQRAO-GOSISDBHSA-N 0 3 377.467 4.099 40 0 GIABHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Br)cc1)NCC2 ZINC000020507134 560093663 /nfs/dbraw/zinc/09/36/63/560093663.db2.gz KOYWTXBINRJTAB-LJQANCHMSA-N 0 3 376.294 4.482 40 0 biogenic,in-vitro GIABHN OCCN1CCC(c2cccc(Nc3ncc(Cc4ccccc4)s3)n2)CC1 ZINC000585263343 570231838 /nfs/dbraw/zinc/23/18/38/570231838.db2.gz WDTCNDOWPFYHAZ-UHFFFAOYSA-N 0 3 394.544 4.044 40 0 GIABHN CCOc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 ZINC000585289614 570257255 /nfs/dbraw/zinc/25/72/55/570257255.db2.gz SMLRRVYGHQKZSU-PWRODBHTSA-N 0 3 375.896 4.189 40 0 GIABHN CCOc1cc(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)ccc1OC ZINC000057773938 570373640 /nfs/dbraw/zinc/37/36/40/570373640.db2.gz OYSAFBONVXWJEL-VQTJNVASSA-N 0 3 395.478 4.339 40 0 GIABHN COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc12 ZINC000222624888 570417554 /nfs/dbraw/zinc/41/75/54/570417554.db2.gz ANGIMSDZPDJPSO-UHFFFAOYSA-N 0 3 390.483 4.289 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)CSCc3ccccc3F)cc2)CC1 ZINC000222714332 570422235 /nfs/dbraw/zinc/42/22/35/570422235.db2.gz KCYBIKQZDKPDAL-UHFFFAOYSA-N 0 3 388.508 4.171 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 ZINC000222839316 570428510 /nfs/dbraw/zinc/42/85/10/570428510.db2.gz GCYMWOIGVXQWIW-UHFFFAOYSA-N 0 3 390.483 4.330 40 0 GIABHN O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000039763000 570445973 /nfs/dbraw/zinc/44/59/73/570445973.db2.gz QJMXDXVCACSIPQ-UHFFFAOYSA-N 0 3 388.964 4.461 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(C)c1)C2 ZINC000035289819 570455371 /nfs/dbraw/zinc/45/53/71/570455371.db2.gz LFDKMXCGONCEHI-FRIKZZABSA-N 0 3 378.516 4.319 40 0 GIABHN CN(C)CCNc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000244058005 570458294 /nfs/dbraw/zinc/45/82/94/570458294.db2.gz TXBUBOLLGIQDET-UHFFFAOYSA-N 0 3 381.911 4.383 40 0 GIABHN COc1ccc(CCNCC(=O)N2c3ccccc3CCc3ccccc32)cc1 ZINC000035311532 570466774 /nfs/dbraw/zinc/46/67/74/570466774.db2.gz CROVXVJRORKIPL-UHFFFAOYSA-N 0 3 386.495 4.291 40 0 GIABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCF)cc2)c2ccccc12 ZINC000257251636 570487860 /nfs/dbraw/zinc/48/78/60/570487860.db2.gz JRNVTLLDHPWTRA-FQEVSTJZSA-N 0 3 384.495 4.099 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(C)c(C)c3)CC2)cc1 ZINC000224531616 570516591 /nfs/dbraw/zinc/51/65/91/570516591.db2.gz JVWPJBUGDJOUEJ-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3Cl)CC2)c1 ZINC000224528421 570516692 /nfs/dbraw/zinc/51/66/92/570516692.db2.gz SIPCMDFJWNIIDT-UHFFFAOYSA-N 0 3 386.923 4.056 40 0 GIABHN CCCSc1nnc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)s1 ZINC000225116211 570550170 /nfs/dbraw/zinc/55/01/70/570550170.db2.gz XTMXVFHRIGIYEW-UHFFFAOYSA-N 0 3 390.578 4.199 40 0 GIABHN COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000035288580 570551223 /nfs/dbraw/zinc/55/12/23/570551223.db2.gz MPOFRYBAZWQVPR-IHWFROFDSA-N 0 3 383.467 4.151 40 0 GIABHN CC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000035288581 570551227 /nfs/dbraw/zinc/55/12/27/570551227.db2.gz KYWGZPGANSWBTI-FRIKZZABSA-N 0 3 395.478 4.345 40 0 GIABHN CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225662646 570599701 /nfs/dbraw/zinc/59/97/01/570599701.db2.gz JVPXZYWMGZMCGG-XXBNENTESA-N 0 3 388.552 4.475 40 0 GIABHN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225734362 570610662 /nfs/dbraw/zinc/61/06/62/570610662.db2.gz QXLYTQIIYLAZIN-JOCHJYFZSA-N 0 3 376.541 4.331 40 0 GIABHN CCc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225772314 570615919 /nfs/dbraw/zinc/61/59/19/570615919.db2.gz PXRIGNOHBVFFQZ-UHFFFAOYSA-N 0 3 383.561 4.209 40 0 GIABHN CN1CCC(Oc2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)CC1 ZINC000225771991 570615993 /nfs/dbraw/zinc/61/59/93/570615993.db2.gz YAVLXQPOPGWGCX-UHFFFAOYSA-N 0 3 389.952 4.300 40 0 GIABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000012188347 570621845 /nfs/dbraw/zinc/62/18/45/570621845.db2.gz DCBVODRYLVDAPD-XMMPIXPASA-N 0 3 388.511 4.001 40 0 GIABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000004856826 570638464 /nfs/dbraw/zinc/63/84/64/570638464.db2.gz KRELVSDFEMXNCM-IHWFROFDSA-N 0 3 381.545 4.177 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1C ZINC000044911664 570642494 /nfs/dbraw/zinc/64/24/94/570642494.db2.gz KROFQMLRFCYHJN-UHFFFAOYSA-N 0 3 394.515 4.331 40 0 GIABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102732052 570720696 /nfs/dbraw/zinc/72/06/96/570720696.db2.gz BIBIMNXLUWFCTR-GBESFXJTSA-N 0 3 384.863 4.065 40 0 GIABHN Cc1cccc(CO[C@H]2CSC3(CN(Cc4cccc5[nH]ccc54)C3)C2)n1 ZINC000585105315 570932219 /nfs/dbraw/zinc/93/22/19/570932219.db2.gz SVQDYYZPMLKHBD-LJQANCHMSA-N 0 3 379.529 4.148 40 0 GIABHN COc1cccc(CN2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)c1 ZINC000019565252 210265887 /nfs/dbraw/zinc/26/58/87/210265887.db2.gz FWUQRWMFRDWRPV-LADGPHEKSA-N 0 3 392.543 4.141 40 0 GIABHN COc1ccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)cc1 ZINC000019554755 210262038 /nfs/dbraw/zinc/26/20/38/210262038.db2.gz UUFCLNRMRYTSHF-HSZRJFAPSA-N 0 3 394.515 4.003 40 0 GIABHN CCN(CC)CCN[C@H](c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000019366442 210243932 /nfs/dbraw/zinc/24/39/32/210243932.db2.gz IWOGQWYWHLDFGU-OAHLLOKOSA-N 0 3 383.747 4.047 40 0 GIABHN O=C(C1CC1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019343525 210241584 /nfs/dbraw/zinc/24/15/84/210241584.db2.gz MJOBJNNPTPJDOZ-NJDAHSKKSA-N 0 3 384.520 4.114 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccc2ncccc2c1 ZINC000019238577 210234552 /nfs/dbraw/zinc/23/45/52/210234552.db2.gz IGAHESXCYYWMQE-UHFFFAOYSA-N 0 3 395.572 4.329 40 0 GIABHN Cc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)c1 ZINC000019235062 210232929 /nfs/dbraw/zinc/23/29/29/210232929.db2.gz OBPCUZHNKXYEJF-FKBYEOEOSA-N 0 3 380.557 4.283 40 0 GIABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C(C)(C)c1ccc(F)cc1 ZINC000019085052 210224919 /nfs/dbraw/zinc/22/49/19/210224919.db2.gz KTRFBVWQGOUHDD-YPAWHYETSA-N 0 3 398.497 4.331 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000018060210 210213448 /nfs/dbraw/zinc/21/34/48/210213448.db2.gz QKTVQSXOOWUXFK-ZCNNSNEGSA-N 0 3 390.464 4.108 40 0 GIABHN CCN(CC)CCOC(=O)[C@@](O)(c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000001710840 209337630 /nfs/dbraw/zinc/33/76/30/209337630.db2.gz KHRQGYWZVQGCPO-QHCPKHFHSA-N 0 3 375.553 4.265 40 0 GIABHN Cc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131081 212049807 /nfs/dbraw/zinc/04/98/07/212049807.db2.gz JVYXNAJAEQDNCF-SFTDATJTSA-N 0 3 395.503 4.079 40 0 GIABHN O=C(c1ccsc1)N1C[C@@]2(CCN(Cc3cccs3)C2)c2ncccc21 ZINC000306128421 212047494 /nfs/dbraw/zinc/04/74/94/212047494.db2.gz GZVQCSLJLJLTOV-FQEVSTJZSA-N 0 3 381.526 4.009 40 0 GIABHN Cc1ccc(C(=O)CCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000257296548 212020306 /nfs/dbraw/zinc/02/03/06/212020306.db2.gz RDHLMJGVOHIQGZ-HXUWFJFHSA-N 0 3 375.472 4.497 40 0 GIABHN O=C(Nc1cccc(OCCN2CCCCC2)c1)c1n[nH]c2c1CCCCCC2 ZINC000257279634 212016478 /nfs/dbraw/zinc/01/64/78/212016478.db2.gz OHMKZUCKZJEZPM-UHFFFAOYSA-N 0 3 396.535 4.186 40 0 GIABHN Cc1cnc(Nc2cc(CC3CCN(Cc4cccnc4)CC3)nc(C)n2)s1 ZINC000257268886 212014616 /nfs/dbraw/zinc/01/46/16/212014616.db2.gz MNQUKNMYUZVXFO-UHFFFAOYSA-N 0 3 394.548 4.143 40 0 GIABHN CC(C)CN1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257230947 212007693 /nfs/dbraw/zinc/00/76/93/212007693.db2.gz GEOXTQKZELSMSW-IBGZPJMESA-N 0 3 397.441 4.079 40 0 GIABHN CC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257230948 212007043 /nfs/dbraw/zinc/00/70/43/212007043.db2.gz GEOXTQKZELSMSW-LJQANCHMSA-N 0 3 397.441 4.079 40 0 GIABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCC2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171531 211458481 /nfs/dbraw/zinc/45/84/81/211458481.db2.gz YWDCFXSGFPFFPS-SFTDATJTSA-N 0 3 379.548 4.322 40 0 biogenic,in-vitro GIABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)NC4CCCCC4)C3)C2)c1 ZINC000096215706 211318968 /nfs/dbraw/zinc/31/89/68/211318968.db2.gz PHPWCYZUMYYRTL-HSZRJFAPSA-N 0 3 385.552 4.025 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053419 211297610 /nfs/dbraw/zinc/29/76/10/211297610.db2.gz CMDXTZRRHMUEOS-GOSISDBHSA-N 0 3 396.556 4.318 40 0 GIABHN Cc1c(CN2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cnn1C ZINC000072374947 211105233 /nfs/dbraw/zinc/10/52/33/211105233.db2.gz JIVPRNKSQXRSCK-LJQANCHMSA-N 0 3 390.535 4.259 40 0 GIABHN Clc1ccccc1OCCc1cc([C@H]2CCN(Cc3ccccn3)C2)n[nH]1 ZINC000072378130 211104839 /nfs/dbraw/zinc/10/48/39/211104839.db2.gz XKTBJQHJCVJQJB-INIZCTEOSA-N 0 3 382.895 4.069 40 0 GIABHN Clc1ccccc1OCCc1cc([C@H]2CCN(Cc3ccccn3)C2)[nH]n1 ZINC000072378130 211104843 /nfs/dbraw/zinc/10/48/43/211104843.db2.gz XKTBJQHJCVJQJB-INIZCTEOSA-N 0 3 382.895 4.069 40 0 GIABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072345977 211095654 /nfs/dbraw/zinc/09/56/54/211095654.db2.gz IWVPEOKCDLJTRC-MRXNPFEDSA-N 0 3 379.895 4.154 40 0 GIABHN CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1ccccc1CN1CCCC1 ZINC000019718471 210289280 /nfs/dbraw/zinc/28/92/80/210289280.db2.gz DNVSMCNXFOHHKH-KRWDZBQOSA-N 0 3 376.504 4.394 40 0 GIABHN Cc1cc(C)n(C2CCN(Cc3c(C)nn(-c4ccccc4C)c3C)CC2)n1 ZINC000019659221 210277305 /nfs/dbraw/zinc/27/73/05/210277305.db2.gz PRBJABAMCRFJKA-UHFFFAOYSA-N 0 3 377.536 4.448 40 0 GIABHN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(C2CCCC2)C3)cc1 ZINC000096111877 560061047 /nfs/dbraw/zinc/06/10/47/560061047.db2.gz LISBRHVXDUVUJO-UNMCSNQZSA-N 0 3 392.499 4.006 40 0 biogenic,in-vitro GIABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)o2)cc1 ZINC000049170185 560084627 /nfs/dbraw/zinc/08/46/27/560084627.db2.gz ACEFYDIJMGFMDI-KRWDZBQOSA-N 0 3 382.895 4.446 40 0 biogenic,in-vitro GIABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)o2)cc1 ZINC000049170199 560084682 /nfs/dbraw/zinc/08/46/82/560084682.db2.gz OZPHXRIGGKUSDG-INIZCTEOSA-N 0 3 384.430 4.070 40 0 biogenic,in-vitro GIABHN Cc1cnc(Nc2cccc(CC3CCN(Cc4ccccn4)CC3)n2)s1 ZINC000585262661 570230942 /nfs/dbraw/zinc/23/09/42/570230942.db2.gz PONIBOKJRVAAHN-UHFFFAOYSA-N 0 3 379.533 4.440 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 ZINC000035289832 570455527 /nfs/dbraw/zinc/45/55/27/570455527.db2.gz VEAQXSPTSKUZFS-SEJPIABJSA-N 0 3 382.479 4.150 40 0 GIABHN CC(C)c1ccccc1OCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000030551919 570491391 /nfs/dbraw/zinc/49/13/91/570491391.db2.gz ZGDLUVKKCJDSKQ-UHFFFAOYSA-N 0 3 380.532 4.491 40 0 GIABHN CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000224015850 570494554 /nfs/dbraw/zinc/49/45/54/570494554.db2.gz WEYKWPKDKZWBNJ-NRFANRHFSA-N 0 3 382.523 4.479 40 0 GIABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000224332052 570509346 /nfs/dbraw/zinc/50/93/46/570509346.db2.gz DLHUBCWFXQJVIN-UHFFFAOYSA-N 0 3 380.532 4.344 40 0 GIABHN CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836371 570533152 /nfs/dbraw/zinc/53/31/52/570533152.db2.gz JQMUOSGSIPVRRB-LJQANCHMSA-N 0 3 380.532 4.319 40 0 GIABHN O=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1CN1CCCCC1 ZINC000224850943 570534101 /nfs/dbraw/zinc/53/41/01/570534101.db2.gz JQBJPCLLLHDSFY-UHFFFAOYSA-N 0 3 392.543 4.247 40 0 GIABHN O=c1c(CN(CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccccc12 ZINC000036740220 570568746 /nfs/dbraw/zinc/56/87/46/570568746.db2.gz WJYWOPRCOMXPEA-IBGZPJMESA-N 0 3 377.488 4.238 40 0 GIABHN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000038857657 570588381 /nfs/dbraw/zinc/58/83/81/570588381.db2.gz BRLSGAZOWKHKTB-KRWDZBQOSA-N 0 3 385.895 4.149 40 0 GIABHN CCCO[C@](C)(C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1)C1CC1 ZINC000225672031 570601191 /nfs/dbraw/zinc/60/11/91/570601191.db2.gz SATCEJMGZDBSMG-QHCPKHFHSA-N 0 3 388.552 4.331 40 0 GIABHN CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225692730 570604024 /nfs/dbraw/zinc/60/40/24/570604024.db2.gz UVFBFMXAIXUDBA-QFIPXVFZSA-N 0 3 376.541 4.331 40 0 GIABHN OC1(Cn2c(C(F)(F)F)cc3cccnc32)CCN(Cc2ccsc2)CC1 ZINC000012132423 570613927 /nfs/dbraw/zinc/61/39/27/570613927.db2.gz RFDJVTURLDKOEP-UHFFFAOYSA-N 0 3 395.450 4.144 40 0 GIABHN Cc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 ZINC000225771834 570615245 /nfs/dbraw/zinc/61/52/45/570615245.db2.gz FJJVMBPOIAQFFY-UHFFFAOYSA-N 0 3 383.561 4.263 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000012293094 570633644 /nfs/dbraw/zinc/63/36/44/570633644.db2.gz DMSDPLAPPIRPKC-UHFFFAOYSA-N 0 3 388.511 4.453 40 0 GIABHN CN(CCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044916938 570643382 /nfs/dbraw/zinc/64/33/82/570643382.db2.gz BAYYLAZMOHYGTM-UHFFFAOYSA-N 0 3 399.538 4.111 40 0 GIABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329813 570644142 /nfs/dbraw/zinc/64/41/42/570644142.db2.gz PNAIPXYJYHICDW-VQTJNVASSA-N 0 3 387.907 4.033 40 0 GIABHN Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012344336 570645215 /nfs/dbraw/zinc/64/52/15/570645215.db2.gz WEINLAMXGWJWCK-UHFFFAOYSA-N 0 3 389.543 4.340 40 0 GIABHN O=C(NCCOc1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000047305655 570653649 /nfs/dbraw/zinc/65/36/49/570653649.db2.gz BCCYXWSBYVVXJY-UHFFFAOYSA-N 0 3 388.511 4.247 40 0 GIABHN COc1ccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)c(C)c1C ZINC000012734509 570706696 /nfs/dbraw/zinc/70/66/96/570706696.db2.gz DVNFXTUUSJQSOK-IRLDBZIGSA-N 0 3 396.506 4.188 40 0 GIABHN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010313902 570787239 /nfs/dbraw/zinc/78/72/39/570787239.db2.gz PCDISEFXTZBFDH-UHFFFAOYSA-N 0 3 393.531 4.453 40 0 GIABHN Cc1c(CN2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000019704540 818601723 /nfs/dbraw/zinc/60/17/23/818601723.db2.gz ADOXTCQPSRGSDD-IBGZPJMESA-N 0 3 393.535 4.144 40 0 GIABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019568923 210266760 /nfs/dbraw/zinc/26/67/60/210266760.db2.gz GCPGQYKPYDDFJR-AWEZNQCLSA-N 0 3 376.382 4.325 40 0 GIABHN COc1cccc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)c1OC ZINC000019557991 210264397 /nfs/dbraw/zinc/26/43/97/210264397.db2.gz OMFLYZHFUFNUTJ-SFHVURJKSA-N 0 3 396.491 4.426 40 0 GIABHN COc1ccc([C@H]2CCCN2C(=O)[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC000019560181 210263061 /nfs/dbraw/zinc/26/30/61/210263061.db2.gz FYQCRGMKAWFBIM-NFBKMPQASA-N 0 3 394.515 4.204 40 0 GIABHN O=C(c1cccc(Br)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408612405 231079698 /nfs/dbraw/zinc/07/96/98/231079698.db2.gz VTDVOOCJLUBYLR-UHFFFAOYSA-N 0 3 399.332 4.112 40 0 GIABHN Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019210349 210231700 /nfs/dbraw/zinc/23/17/00/210231700.db2.gz GPIZGTTWUYQPAA-FKBYEOEOSA-N 0 3 380.557 4.283 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019014355 210221684 /nfs/dbraw/zinc/22/16/84/210221684.db2.gz FLVAFNGTIQGZHB-HJMGBZSKSA-N 0 3 389.543 4.464 40 0 GIABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000013787506 210089824 /nfs/dbraw/zinc/08/98/24/210089824.db2.gz GKRZWPGGLFLQQA-FKBYEOEOSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000013750431 210087319 /nfs/dbraw/zinc/08/73/19/210087319.db2.gz SYBDVGVMJKJPBQ-PMVMPFDFSA-N 0 3 398.462 4.355 40 0 GIABHN Cc1ccc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)s1 ZINC000306141947 212054649 /nfs/dbraw/zinc/05/46/49/212054649.db2.gz WLBNUGDNTCPGND-SFHVURJKSA-N 0 3 375.501 4.151 40 0 GIABHN Cc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 ZINC000306140745 212053524 /nfs/dbraw/zinc/05/35/24/212053524.db2.gz VCYDAHJYOXLVIX-QGZVFWFLSA-N 0 3 381.549 4.079 40 0 GIABHN Cc1ccsc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306138540 212053356 /nfs/dbraw/zinc/05/33/56/212053356.db2.gz SAEPEBHZLZEPOC-VQTJNVASSA-N 0 3 395.503 4.079 40 0 GIABHN CCN1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(Cc3cccs3)C2)C1 ZINC000306134899 212051333 /nfs/dbraw/zinc/05/13/33/212051333.db2.gz OBBPOBKWEQMRPP-HSZRJFAPSA-N 0 3 392.572 4.438 40 0 GIABHN Cc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 ZINC000306140744 212053998 /nfs/dbraw/zinc/05/39/98/212053998.db2.gz VCYDAHJYOXLVIX-KRWDZBQOSA-N 0 3 381.549 4.079 40 0 GIABHN COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(CC4CC4)C3)nn2c1 ZINC000306132111 212049450 /nfs/dbraw/zinc/04/94/50/212049450.db2.gz KYSVSRYEMAUVHB-KRWDZBQOSA-N 0 3 380.467 4.133 40 0 GIABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1OC ZINC000306129412 212046579 /nfs/dbraw/zinc/04/65/79/212046579.db2.gz ICFBBGXGEFOIKR-SFHVURJKSA-N 0 3 392.503 4.003 40 0 GIABHN CN(Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000257339522 212028043 /nfs/dbraw/zinc/02/80/43/212028043.db2.gz ZCBONJBCPSJNFC-KCZVDYSFSA-N 0 3 389.923 4.015 40 0 GIABHN Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257308190 212021427 /nfs/dbraw/zinc/02/14/27/212021427.db2.gz TVTXGBWYWRONDF-UWJYYQICSA-N 0 3 387.524 4.347 40 0 GIABHN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257296476 212019440 /nfs/dbraw/zinc/01/94/40/212019440.db2.gz RDADVPJHYCFJEX-AVRDEDQJSA-N 0 3 383.561 4.131 40 0 GIABHN CNc1cc([C@@H]2CCCN2C(=O)c2ccccc2CN2CCCCC2)ccn1 ZINC000257238956 212009140 /nfs/dbraw/zinc/00/91/40/212009140.db2.gz HNFXFGFRAWQSEZ-NRFANRHFSA-N 0 3 378.520 4.087 40 0 GIABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000257221653 212005172 /nfs/dbraw/zinc/00/51/72/212005172.db2.gz DQACZNHDQUZNDL-MRXNPFEDSA-N 0 3 391.450 4.083 40 0 GIABHN Cc1nc(NC2CCCCC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329038083 209157144 /nfs/dbraw/zinc/15/71/44/209157144.db2.gz RRAQKNPGDPTMBY-UHFFFAOYSA-N 0 3 380.536 4.320 40 0 GIABHN Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000100750221 211391373 /nfs/dbraw/zinc/39/13/73/211391373.db2.gz DILLVVLYHKUSGS-ZFGGDYGUSA-N 0 3 379.548 4.158 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000100626360 211388693 /nfs/dbraw/zinc/38/86/93/211388693.db2.gz LDVDUVVKRUVWQU-AABGKKOBSA-N 0 3 390.464 4.108 40 0 GIABHN COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000096316422 211333788 /nfs/dbraw/zinc/33/37/88/211333788.db2.gz GUMLCSIEVNHVBR-JXALWOEJSA-N 0 3 377.484 4.355 40 0 biogenic,in-vitro GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053421 211298820 /nfs/dbraw/zinc/29/88/20/211298820.db2.gz CMDXTZRRHMUEOS-SFHVURJKSA-N 0 3 396.556 4.318 40 0 GIABHN Cc1noc(C)c1CN1CCC2(C[C@H](CC(=O)NC(C)C)c3ccccc32)CC1 ZINC000096052621 211296941 /nfs/dbraw/zinc/29/69/41/211296941.db2.gz MFDFVUOBQWDCRF-IBGZPJMESA-N 0 3 395.547 4.227 40 0 GIABHN CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(Cc1cccs1)CC2 ZINC000096036959 211296200 /nfs/dbraw/zinc/29/62/00/211296200.db2.gz WZLVEEIBZBZOBM-UHFFFAOYSA-N 0 3 396.535 4.187 40 0 GIABHN CN(C)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000015826508 211126714 /nfs/dbraw/zinc/12/67/14/211126714.db2.gz CDIKRAOHEAVDPR-UHFFFAOYSA-N 0 3 396.494 4.255 40 0 GIABHN COc1cccc(OCCc2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)[nH]n2)c1 ZINC000072371212 211103077 /nfs/dbraw/zinc/10/30/77/211103077.db2.gz JSOAMIPFZRMPQF-SFHVURJKSA-N 0 3 395.478 4.168 40 0 GIABHN COc1cccc(OCCc2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)n[nH]2)c1 ZINC000072371212 211103084 /nfs/dbraw/zinc/10/30/84/211103084.db2.gz JSOAMIPFZRMPQF-SFHVURJKSA-N 0 3 395.478 4.168 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4C)C3)cc2n1 ZINC000072397146 211112438 /nfs/dbraw/zinc/11/24/38/211112438.db2.gz WKOGRIRKJPVJOI-INIZCTEOSA-N 0 3 389.425 4.140 40 0 GIABHN Cc1cnc(Nc2cc(C[C@H]3CCCN(Cc4cccnc4)C3)nc(C)n2)s1 ZINC000072383469 211108506 /nfs/dbraw/zinc/10/85/06/211108506.db2.gz JKJCJYLLHJWECH-QGZVFWFLSA-N 0 3 394.548 4.143 40 0 GIABHN CCn1ncc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)c1C ZINC000072376056 211106599 /nfs/dbraw/zinc/10/65/99/211106599.db2.gz OVBWOZOZSGZAGS-LJQANCHMSA-N 0 3 390.535 4.433 40 0 GIABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000072330384 211092298 /nfs/dbraw/zinc/09/22/98/211092298.db2.gz ZKHZGQPOXIOMLL-RDPSFJRHSA-N 0 3 395.547 4.206 40 0 GIABHN CCn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353379 211097404 /nfs/dbraw/zinc/09/74/04/211097404.db2.gz JNBDGUIGMPNOLP-LJQANCHMSA-N 0 3 376.508 4.125 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353378 211096306 /nfs/dbraw/zinc/09/63/06/211096306.db2.gz JNBDGUIGMPNOLP-IBGZPJMESA-N 0 3 376.508 4.125 40 0 GIABHN CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038834615 210758933 /nfs/dbraw/zinc/75/89/33/210758933.db2.gz MNENILMLGWFGIN-UHFFFAOYSA-N 0 3 380.488 4.348 40 0 GIABHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2cccnc2N(C)C)C1 ZINC000019715729 210287293 /nfs/dbraw/zinc/28/72/93/210287293.db2.gz KIHWBYBKYBMJGD-IBGZPJMESA-N 0 3 377.536 4.458 40 0 GIABHN CN1CCc2nc([C@@H]3CCCCN3Cc3cccc(Cl)c3Cl)ncc2C1 ZINC000019590342 210272944 /nfs/dbraw/zinc/27/29/44/210272944.db2.gz TWDMIXIZQZHZPH-SFHVURJKSA-N 0 3 391.346 4.499 40 0 GIABHN C[C@H](O)CN(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185649 221164322 /nfs/dbraw/zinc/16/43/22/221164322.db2.gz KVHANYNAKMMDJV-SFHVURJKSA-N 0 3 375.468 4.465 40 0 GIABHN CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C)n1 ZINC000328965298 529183564 /nfs/dbraw/zinc/18/35/64/529183564.db2.gz CCVHURJPEWZPAI-LBPRGKRZSA-N 0 3 375.314 4.321 40 0 GIABHN C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290074 560031078 /nfs/dbraw/zinc/03/10/78/560031078.db2.gz XWBDYCNQUOBUKC-SONWIMMPSA-N 0 3 398.591 4.440 40 0 biogenic,in-vitro GIABHN C[C@@]1(O)CCN(CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288709 560034046 /nfs/dbraw/zinc/03/40/46/560034046.db2.gz AOBRGGWQZMQHIB-JAXLGGSGSA-N 0 3 390.593 4.111 40 0 biogenic,in-vitro GIABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4cccs4)c23)cc1 ZINC000005433827 560202036 /nfs/dbraw/zinc/20/20/36/560202036.db2.gz GLVKJIKFFXVOJU-ZWKOTPCHSA-N 0 3 392.524 4.205 40 0 biogenic,in-vitro GIABHN CCCN1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216481 570317528 /nfs/dbraw/zinc/31/75/28/570317528.db2.gz UFAMEDMPFIVVNN-IBGZPJMESA-N 0 3 388.556 4.076 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072359293 570339949 /nfs/dbraw/zinc/33/99/49/570339949.db2.gz KDBCUGBDQPDWBA-NRFANRHFSA-N 0 3 389.499 4.024 40 0 GIABHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000024182126 570380064 /nfs/dbraw/zinc/38/00/64/570380064.db2.gz GZVPYAXDXQSLEC-QGZVFWFLSA-N 0 3 386.923 4.410 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2F)C3)cc1 ZINC000035289830 570455357 /nfs/dbraw/zinc/45/53/57/570455357.db2.gz XMHFJSZNDGBRAG-YQQQUEKLSA-N 0 3 382.479 4.150 40 0 GIABHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1 ZINC000028296091 570457656 /nfs/dbraw/zinc/45/76/56/570457656.db2.gz PLMKJTCJHREUTN-NRFANRHFSA-N 0 3 377.488 4.463 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000035290511 570457977 /nfs/dbraw/zinc/45/79/77/570457977.db2.gz CFXQFUVMHZFLRW-SEJPIABJSA-N 0 3 385.552 4.213 40 0 GIABHN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CN2CCCCC2)cc1 ZINC000223330986 570459067 /nfs/dbraw/zinc/45/90/67/570459067.db2.gz KBXTXNWVVYWUCH-UHFFFAOYSA-N 0 3 392.543 4.151 40 0 GIABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccccc1 ZINC000224156572 570501135 /nfs/dbraw/zinc/50/11/35/570501135.db2.gz MEBBFNUFVFVTDQ-FCHUYYIVSA-N 0 3 397.507 4.444 40 0 GIABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000225772022 570615755 /nfs/dbraw/zinc/61/57/55/570615755.db2.gz WHUHTJFSGQGVJU-UHFFFAOYSA-N 0 3 389.952 4.300 40 0 GIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000043277822 570627024 /nfs/dbraw/zinc/62/70/24/570627024.db2.gz UQXVTKPQHHVNRA-IBGZPJMESA-N 0 3 391.515 4.308 40 0 GIABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293349 570633806 /nfs/dbraw/zinc/63/38/06/570633806.db2.gz GKHFHKBFACPTQC-UXHICEINSA-N 0 3 387.907 4.033 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000044911873 570642509 /nfs/dbraw/zinc/64/25/09/570642509.db2.gz AGPBRFIWSYWYHG-UHFFFAOYSA-N 0 3 394.515 4.331 40 0 GIABHN CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2Br)CC1 ZINC000089212581 570747804 /nfs/dbraw/zinc/74/78/04/570747804.db2.gz VBXJXDOWEFFOQR-UHFFFAOYSA-N 0 3 383.330 4.186 40 0 GIABHN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C[C@H]3CCOC3)cc2N1 ZINC000257283059 570902641 /nfs/dbraw/zinc/90/26/41/570902641.db2.gz OWPRLUNJDLJKOA-YQFWSFKMSA-N 0 3 386.462 4.000 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100336 570923838 /nfs/dbraw/zinc/92/38/38/570923838.db2.gz DHOHXGKQAOIWNR-HSZRJFAPSA-N 0 3 382.479 4.192 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100336 570923842 /nfs/dbraw/zinc/92/38/42/570923842.db2.gz DHOHXGKQAOIWNR-HSZRJFAPSA-N 0 3 382.479 4.192 40 0 GIABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104797 570933709 /nfs/dbraw/zinc/93/37/09/570933709.db2.gz UCTLJIUXJAMCEK-PXDATVDWSA-N 0 3 392.543 4.116 40 0 GIABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2oc3ccccc3c2C)CC1 ZINC000019566348 210264971 /nfs/dbraw/zinc/26/49/71/210264971.db2.gz DNRWUMGVZDYJPD-HSZRJFAPSA-N 0 3 377.488 4.226 40 0 GIABHN Cc1nc(-c2cccnc2)sc1C(=O)N1CCCC[C@@H]1CN1CCCCCC1 ZINC000019561083 210263661 /nfs/dbraw/zinc/26/36/61/210263661.db2.gz PFCJEUUINFJEST-LJQANCHMSA-N 0 3 398.576 4.384 40 0 GIABHN Cc1nc(C)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)s1 ZINC000019560152 210263404 /nfs/dbraw/zinc/26/34/04/210263404.db2.gz AMRTVMQMJRQYME-VAMGGRTRSA-N 0 3 383.561 4.243 40 0 GIABHN Cc1ncsc1-c1nnc([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)o1 ZINC000019562792 210263297 /nfs/dbraw/zinc/26/32/97/210263297.db2.gz WQYFEXMOGTXLQR-INIZCTEOSA-N 0 3 391.500 4.429 40 0 GIABHN CC(C)c1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)on1 ZINC000019452932 210250293 /nfs/dbraw/zinc/25/02/93/210250293.db2.gz PJMUIHXAVIWOPK-SYYKKAFVSA-N 0 3 381.520 4.281 40 0 GIABHN COc1cccc(CN2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000019446692 210248565 /nfs/dbraw/zinc/24/85/65/210248565.db2.gz ZNYUIXOYHNTDNP-XMMPIXPASA-N 0 3 395.547 4.206 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019014403 210222607 /nfs/dbraw/zinc/22/26/07/210222607.db2.gz BDBIMRNMQQDODP-KTDXHOJISA-N 0 3 387.478 4.084 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000013669286 210075374 /nfs/dbraw/zinc/07/53/74/210075374.db2.gz AULLWWYCEYAAPI-UHFFFAOYSA-N 0 3 380.488 4.410 40 0 GIABHN Cc1ccc(-c2cnc3nnc(C4CCN(Cc5ccccc5)CC4)n3c2)cc1 ZINC000306143817 212055508 /nfs/dbraw/zinc/05/55/08/212055508.db2.gz YNJDQNPNCNEVIT-UHFFFAOYSA-N 0 3 383.499 4.479 40 0 GIABHN Cc1ccsc1CN1CC[C@@]2(C1)CN(Cc1ccccn1)c1cccnc12 ZINC000306143853 212054462 /nfs/dbraw/zinc/05/44/62/212054462.db2.gz YOORSNHTCHOKTB-JOCHJYFZSA-N 0 3 376.529 4.010 40 0 GIABHN Cc1ncc2c(n1)[C@@]1(CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C1)COC2 ZINC000306135395 212051400 /nfs/dbraw/zinc/05/14/00/212051400.db2.gz OPUBZVXMKSBREC-JOCHJYFZSA-N 0 3 395.890 4.372 40 0 GIABHN Cc1ccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)s1 ZINC000306135698 212050648 /nfs/dbraw/zinc/05/06/48/212050648.db2.gz OXZOBBRHDDVVKM-QFIPXVFZSA-N 0 3 376.529 4.010 40 0 GIABHN Cc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c1 ZINC000306128177 212046348 /nfs/dbraw/zinc/04/63/48/212046348.db2.gz GTHFBAYOYFTYEF-HSZRJFAPSA-N 0 3 377.463 4.173 40 0 GIABHN c1csc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124101 212045445 /nfs/dbraw/zinc/04/54/45/212045445.db2.gz BGDWHBPUAREEIB-GOSISDBHSA-N 0 3 375.501 4.232 40 0 GIABHN Cc1nc([C@H]2CCCN(CC3CC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257260168 212012973 /nfs/dbraw/zinc/01/29/73/212012973.db2.gz LBPKZOKPJXOKEJ-SFHVURJKSA-N 0 3 396.510 4.003 40 0 GIABHN CCN(CC)Cc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1OC ZINC000257230450 212007566 /nfs/dbraw/zinc/00/75/66/212007566.db2.gz GCKQMCYDGAKJJH-KKSHJYNMSA-N 0 3 388.552 4.062 40 0 GIABHN CCOc1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225773098 211925862 /nfs/dbraw/zinc/92/58/62/211925862.db2.gz DMXFCRRNFWXYSF-UHFFFAOYSA-N 0 3 399.560 4.045 40 0 GIABHN CC(C)n1nc2c(c1-c1ccc(F)cc1)[C@H]1CN(Cc3ccccn3)C[C@H]1C2 ZINC000096263837 211325977 /nfs/dbraw/zinc/32/59/77/211325977.db2.gz BWDDUIGMECTDJF-XLIONFOSSA-N 0 3 376.479 4.437 40 0 GIABHN Cn1cnc2c1cc(C1CCN(Cc3cccs3)CC1)nc2-c1cccnc1 ZINC000096099941 211302879 /nfs/dbraw/zinc/30/28/79/211302879.db2.gz MMOFLXCZAIMZHC-UHFFFAOYSA-N 0 3 389.528 4.471 40 0 GIABHN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053158 211298065 /nfs/dbraw/zinc/29/80/65/211298065.db2.gz VKWXSOLYATXNCQ-IBGZPJMESA-N 0 3 396.506 4.205 40 0 GIABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC000096047555 211297217 /nfs/dbraw/zinc/29/72/17/211297217.db2.gz AQZMXTOWEQYTGF-DEOSSOPVSA-N 0 3 396.506 4.382 40 0 GIABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccncc1)CC2 ZINC000096052536 211296837 /nfs/dbraw/zinc/29/68/37/211296837.db2.gz ZMMGLALQRKXMLS-UHFFFAOYSA-N 0 3 383.495 4.162 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)NC1CCC1 ZINC000096052739 211296161 /nfs/dbraw/zinc/29/61/61/211296161.db2.gz KSAWVFJFLNCKQG-GOSISDBHSA-N 0 3 378.516 4.360 40 0 GIABHN COc1ccc(CN2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377433 211104563 /nfs/dbraw/zinc/10/45/63/211104563.db2.gz FDVBGLOOTUJZKR-GOSISDBHSA-N 0 3 375.476 4.003 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)COc3ccc(C)cc3)CC2)cc1 ZINC000044852859 210814258 /nfs/dbraw/zinc/81/42/58/210814258.db2.gz MCTOMHDNJBEIPG-FQEVSTJZSA-N 0 3 380.532 4.099 40 0 GIABHN Cc1nc(C2CCN(Cc3ccccc3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019703789 210284651 /nfs/dbraw/zinc/28/46/51/210284651.db2.gz VWYNFCJUBQBHHV-UHFFFAOYSA-N 0 3 392.547 4.100 40 0 GIABHN CNc1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019592276 210275449 /nfs/dbraw/zinc/27/54/49/210275449.db2.gz IIPIEJSCWAXUFM-GOSISDBHSA-N 0 3 377.467 4.099 40 0 GIABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019591318 210272986 /nfs/dbraw/zinc/27/29/86/210272986.db2.gz OLAIVQSHVPMANF-AREMUKBSSA-N 0 3 399.538 4.320 40 0 GIABHN CC(C)[C@H](NCc1cccc(F)c1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744460 519821191 /nfs/dbraw/zinc/82/11/91/519821191.db2.gz JDLUILSFDBTEGZ-QFIPXVFZSA-N 0 3 391.450 4.123 40 0 GIABHN CCOC(=O)C1=C(C)NC(SC(C)C)=N[C@@H]1c1cccc(Br)c1 ZINC000408988604 528617260 /nfs/dbraw/zinc/61/72/60/528617260.db2.gz IMPMOLXNKAUAKT-OAHLLOKOSA-N 0 3 397.338 4.428 40 0 GIABHN c1cc(OC2CCCCC2)ncc1-c1noc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000035425524 560080684 /nfs/dbraw/zinc/08/06/84/560080684.db2.gz SKHIRCMNTCVOEX-IBGZPJMESA-N 0 3 398.507 4.159 40 0 biogenic,in-vitro GIABHN CC(C)N1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216422 570317492 /nfs/dbraw/zinc/31/74/92/570317492.db2.gz ZCPDBUUOPXYSJH-LJQANCHMSA-N 0 3 388.556 4.074 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)CC1 ZINC000219237215 570349960 /nfs/dbraw/zinc/34/99/60/570349960.db2.gz IDVOFHDKKMZKFS-UHFFFAOYSA-N 0 3 379.548 4.175 40 0 GIABHN CN(CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000222597539 570416187 /nfs/dbraw/zinc/41/61/87/570416187.db2.gz PTTATSXHYAXWGI-HXUWFJFHSA-N 0 3 399.966 4.195 40 0 GIABHN CCN(CC)CCOC(=O)[C@@](O)(c1csc2ccccc21)c1cccc(C)c1 ZINC000005572742 570446894 /nfs/dbraw/zinc/44/68/94/570446894.db2.gz XODBNVAUBLQYCF-QHCPKHFHSA-N 0 3 397.540 4.331 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C)cc1)C2 ZINC000035290518 570457795 /nfs/dbraw/zinc/45/77/95/570457795.db2.gz QDEBEFCYJZTPLT-FRIKZZABSA-N 0 3 378.516 4.319 40 0 GIABHN CN(C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000244222799 570458447 /nfs/dbraw/zinc/45/84/47/570458447.db2.gz WAVPOJHZBJWLHX-UHFFFAOYSA-N 0 3 381.911 4.383 40 0 GIABHN Cc1cccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C ZINC000223941069 570491266 /nfs/dbraw/zinc/49/12/66/570491266.db2.gz MJZZANHNPPQRCD-UHFFFAOYSA-N 0 3 380.532 4.344 40 0 GIABHN Cc1ccc(CN2CCC(C(=O)NCCOc3cc(C)ccc3C)CC2)cc1 ZINC000224027763 570495325 /nfs/dbraw/zinc/49/53/25/570495325.db2.gz FQVZZVGGOABDTQ-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN(C)C)cc1 ZINC000006871433 570497419 /nfs/dbraw/zinc/49/74/19/570497419.db2.gz LIQIHPYNFKYWHV-UHFFFAOYSA-N 0 3 387.487 4.070 40 0 GIABHN CC(C)c1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224831378 570532628 /nfs/dbraw/zinc/53/26/28/570532628.db2.gz NLCDGBANXSQRDQ-UHFFFAOYSA-N 0 3 380.532 4.491 40 0 GIABHN CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840865 570533693 /nfs/dbraw/zinc/53/36/93/570533693.db2.gz NNQMBCPHAZJUPN-QHCPKHFHSA-N 0 3 380.532 4.455 40 0 GIABHN CCn1c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2sc1=O ZINC000225096245 570548385 /nfs/dbraw/zinc/54/83/85/570548385.db2.gz IBNYWCBBBMOHTL-UHFFFAOYSA-N 0 3 395.528 4.321 40 0 GIABHN Cc1cnc(-c2nc(C3CCN(Cc4ccc(C(C)C)cc4)CC3)no2)cn1 ZINC000012187327 570621394 /nfs/dbraw/zinc/62/13/94/570621394.db2.gz KHZFVTLSRGSRPN-UHFFFAOYSA-N 0 3 377.492 4.338 40 0 GIABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293447 570633957 /nfs/dbraw/zinc/63/39/57/570633957.db2.gz XSFOFHBZXMJTLD-WOJBJXKFSA-N 0 3 387.907 4.033 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044912075 570642968 /nfs/dbraw/zinc/64/29/68/570642968.db2.gz QPCOKDIFLWXLTD-IBGZPJMESA-N 0 3 398.478 4.162 40 0 GIABHN COc1ccccc1C1(O)CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC000012328582 570643704 /nfs/dbraw/zinc/64/37/04/570643704.db2.gz FACAHJDPDZHIOH-UHFFFAOYSA-N 0 3 380.532 4.169 40 0 GIABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000044936285 570644280 /nfs/dbraw/zinc/64/42/80/570644280.db2.gz MTGNATQVGDHZHX-HSZRJFAPSA-N 0 3 380.532 4.483 40 0 GIABHN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000047303043 570653662 /nfs/dbraw/zinc/65/36/62/570653662.db2.gz AVNZEWXKWIYXJR-UHFFFAOYSA-N 0 3 378.394 4.436 40 0 GIABHN O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063572 570774021 /nfs/dbraw/zinc/77/40/21/570774021.db2.gz FLGYYIRWRVACEG-UHFFFAOYSA-N 0 3 391.284 4.439 40 0 GIABHN C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585103581 570929141 /nfs/dbraw/zinc/92/91/41/570929141.db2.gz DMRCQCJPAVDZMB-YOSAUDMPSA-N 0 3 378.516 4.060 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)c1 ZINC000004899050 571004635 /nfs/dbraw/zinc/00/46/35/571004635.db2.gz MIIQIGDVJVVLPG-VSKRKVRLSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1ccc(C(=O)N[C@H](NC(=N)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003109666 817417549 /nfs/dbraw/zinc/41/75/49/817417549.db2.gz GLIVRLLPWIAMNT-INIZCTEOSA-N 0 3 384.694 4.036 40 0 GIABHN CCN(C(C)=O)[C@@H]1CN(Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703848 818600841 /nfs/dbraw/zinc/60/08/41/818600841.db2.gz OFAJAGLXPVRXKN-QFIPXVFZSA-N 0 3 394.563 4.077 40 0 GIABHN CC1(C)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918291 821681046 /nfs/dbraw/zinc/68/10/46/821681046.db2.gz BFGXPLDWHHYHQE-RXVVDRJESA-N 0 3 396.506 4.456 40 0 GIABHN Cc1cccc(C[NH+]2CCC(c3cncc([N-]c4nc(C)cc(C)n4)n3)CC2)c1 ZINC000257309523 222775463 /nfs/dbraw/zinc/77/54/63/222775463.db2.gz UBGOCRQDQIBCKY-UHFFFAOYSA-N 0 3 388.519 4.315 40 0 GIABHN COC(=O)c1c(NC(=O)c2ccc(CN3CCCC3)cc2)sc2c1CCCC2 ZINC000010691160 221106653 /nfs/dbraw/zinc/10/66/53/221106653.db2.gz AKTTXAUCAPWXQG-UHFFFAOYSA-N 0 3 398.528 4.262 40 0 GIABHN Cc1ccccc1C1(O)CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000012118285 221152852 /nfs/dbraw/zinc/15/28/52/221152852.db2.gz UMFNMIPDQABBKP-UHFFFAOYSA-N 0 3 388.511 4.453 40 0 GIABHN COc1ccc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc1C ZINC000012126503 221155363 /nfs/dbraw/zinc/15/53/63/221155363.db2.gz JQSMUOMEBMCVJS-UHFFFAOYSA-N 0 3 381.516 4.320 40 0 GIABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2N2CCCC2)CC1 ZINC000012292968 221175292 /nfs/dbraw/zinc/17/52/92/221175292.db2.gz QWEGYEGAPPAVBU-UHFFFAOYSA-N 0 3 395.522 4.053 40 0 GIABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293364 221175924 /nfs/dbraw/zinc/17/59/24/221175924.db2.gz MBPVCSLHIRXDDK-GOTSBHOMSA-N 0 3 389.495 4.224 40 0 GIABHN COc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)c(C)c1C ZINC000012337922 221184089 /nfs/dbraw/zinc/18/40/89/221184089.db2.gz JEMBYVSKJMELKQ-UHFFFAOYSA-N 0 3 395.547 4.289 40 0 GIABHN Cc1[nH]c2c(cccc2C)c1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000012238120 221172182 /nfs/dbraw/zinc/17/21/82/221172182.db2.gz RRXAJHMLJOGGRH-UHFFFAOYSA-N 0 3 381.495 4.057 40 0 GIABHN COc1cc(C)ccc1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(C)=O ZINC000019134127 221399664 /nfs/dbraw/zinc/39/96/64/221399664.db2.gz DFWAZJFNTOVQKS-CQOQZXRMSA-N 0 3 396.506 4.122 40 0 GIABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](CC(C)C)[C@H]2C1=O ZINC000018036613 221386003 /nfs/dbraw/zinc/38/60/03/221386003.db2.gz JUUJKPHJIMKYQY-AQNXPRMDSA-N 0 3 398.890 4.373 40 0 GIABHN CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccc1Cl ZINC000019017769 221393741 /nfs/dbraw/zinc/39/37/41/221393741.db2.gz ARSDMNVIGQKISV-CEMLEFRQSA-N 0 3 386.898 4.458 40 0 GIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019081879 221396452 /nfs/dbraw/zinc/39/64/52/221396452.db2.gz PLQGSVHFEFTNAQ-DENIHFKCSA-N 0 3 395.547 4.206 40 0 GIABHN COc1ccc(CNC(=O)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H](CC(C)C)N2)cc1 ZINC000049171401 221997220 /nfs/dbraw/zinc/99/72/20/221997220.db2.gz ADXWPMUXXFACME-VXKWHMMOSA-N 0 3 391.515 4.094 40 0 biogenic,in-vitro GIABHN O=S(=O)(NC[C@@H](NC1CCCCC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121217 222056396 /nfs/dbraw/zinc/05/63/96/222056396.db2.gz QUHNGUBOKUKNFI-HXUWFJFHSA-N 0 3 392.952 4.282 40 0 GIABHN Cn1cc(CN2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cn1 ZINC000072349990 222236548 /nfs/dbraw/zinc/23/65/48/222236548.db2.gz YBNHBYYVIIZBEF-LJQANCHMSA-N 0 3 380.923 4.439 40 0 GIABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)COC(C)C)C3)c2)c1 ZINC000072352076 222237501 /nfs/dbraw/zinc/23/75/01/222237501.db2.gz RPEMEIZHUVYQKN-GOSISDBHSA-N 0 3 397.519 4.273 40 0 GIABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350386 222238024 /nfs/dbraw/zinc/23/80/24/222238024.db2.gz UVAKMNSLYPTSHK-IBGZPJMESA-N 0 3 397.950 4.450 40 0 GIABHN COc1cccc(-c2nccnc2[C@H]2CCCN(CCOc3ccccc3)C2)c1 ZINC000072358892 222238799 /nfs/dbraw/zinc/23/87/99/222238799.db2.gz XHRYQRSKIATBFQ-FQEVSTJZSA-N 0 3 389.499 4.411 40 0 GIABHN O=C(c1ccc(Cl)cc1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355074 222239031 /nfs/dbraw/zinc/23/90/31/222239031.db2.gz NBNKAJQNIJRXFX-SFHVURJKSA-N 0 3 397.950 4.294 40 0 GIABHN CCn1cc(CN2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 ZINC000072374965 222243310 /nfs/dbraw/zinc/24/33/10/222243310.db2.gz YFASPTDDFOSOMR-IBGZPJMESA-N 0 3 390.535 4.433 40 0 GIABHN c1cc2cc(CN3CCC[C@@H](c4ccnc(Nc5ccccn5)n4)C3)ccc2[nH]1 ZINC000072378105 222244313 /nfs/dbraw/zinc/24/43/13/222244313.db2.gz JFJISTCCKMNLNK-LJQANCHMSA-N 0 3 384.487 4.476 40 0 GIABHN CCc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000072379227 222244536 /nfs/dbraw/zinc/24/45/36/222244536.db2.gz SWWYWEPPNYBDDV-GOSISDBHSA-N 0 3 394.494 4.227 40 0 GIABHN COc1cccc(NC(=O)N2CCC3(C2)CCN(Cc2cccc(F)c2)CC3)c1 ZINC000096046630 222374425 /nfs/dbraw/zinc/37/44/25/222374425.db2.gz MSBZJZWWXHHECC-UHFFFAOYSA-N 0 3 397.494 4.354 40 0 GIABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096053049 222374878 /nfs/dbraw/zinc/37/48/78/222374878.db2.gz YLRBLRAGNNWXIT-OAQYLSRUSA-N 0 3 391.559 4.361 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053415 222375308 /nfs/dbraw/zinc/37/53/08/222375308.db2.gz FPGNICUPASDVBC-QGZVFWFLSA-N 0 3 396.556 4.318 40 0 GIABHN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCN1CCCC1 ZINC000096305896 570228427 /nfs/dbraw/zinc/22/84/27/570228427.db2.gz FOJASCITRIKBSA-UHFFFAOYSA-N 0 3 386.517 4.325 40 0 GIABHN Cc1nc[nH]c1CN1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000585262238 570229735 /nfs/dbraw/zinc/22/97/35/570229735.db2.gz PYPAWFQDOLZLKX-SIKLNZKXSA-N 0 3 378.495 4.403 40 0 GIABHN Cc1cc(OCC2(O)CCN(Cc3ccc4[nH]cnc4c3)CC2)cc(C)c1Cl ZINC000585271163 570239791 /nfs/dbraw/zinc/23/97/91/570239791.db2.gz SGOVHIBYPOMOFN-UHFFFAOYSA-N 0 3 399.922 4.239 40 0 GIABHN Cc1cc(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)cc(C)c1Cl ZINC000585271163 570239792 /nfs/dbraw/zinc/23/97/92/570239792.db2.gz SGOVHIBYPOMOFN-UHFFFAOYSA-N 0 3 399.922 4.239 40 0 GIABHN C[C@@H](NCCc1ccc(O)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000021985149 570300770 /nfs/dbraw/zinc/30/07/70/570300770.db2.gz QKVNQEPGFVLFCE-GOSISDBHSA-N 0 3 375.468 4.375 40 0 GIABHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022133957 570306478 /nfs/dbraw/zinc/30/64/78/570306478.db2.gz KEURUDOIFSKUJR-HXUWFJFHSA-N 0 3 378.863 4.455 40 0 GIABHN COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 ZINC000222625849 570417583 /nfs/dbraw/zinc/41/75/83/570417583.db2.gz KBSJUKYNUCFAFW-UHFFFAOYSA-N 0 3 394.446 4.119 40 0 GIABHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000222669085 570419514 /nfs/dbraw/zinc/41/95/14/570419514.db2.gz HITIBPBPAIVLAT-HXUWFJFHSA-N 0 3 394.559 4.450 40 0 GIABHN C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223225513 570450875 /nfs/dbraw/zinc/45/08/75/570450875.db2.gz PNUJXVFOYRYCFC-QGZVFWFLSA-N 0 3 380.507 4.404 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1OC)C2 ZINC000035289824 570455549 /nfs/dbraw/zinc/45/55/49/570455549.db2.gz WLXFMNYEOGPPBF-IHWFROFDSA-N 0 3 394.515 4.019 40 0 GIABHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(OC)cc1 ZINC000028296114 570457731 /nfs/dbraw/zinc/45/77/31/570457731.db2.gz KGRHZNBYOBAOJK-OAQYLSRUSA-N 0 3 393.487 4.163 40 0 GIABHN Clc1ccc(-n2c(SCCN3CCCC3)nnc2-c2cccnc2)cc1 ZINC000035311076 570471018 /nfs/dbraw/zinc/47/10/18/570471018.db2.gz IKGAGAHLVCDJTL-UHFFFAOYSA-N 0 3 385.924 4.171 40 0 GIABHN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000223640966 570476375 /nfs/dbraw/zinc/47/63/75/570476375.db2.gz KMBQBEGTONLQMY-SFHVURJKSA-N 0 3 396.531 4.427 40 0 GIABHN Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc(O)cc3)CC2)c1 ZINC000257243620 570488181 /nfs/dbraw/zinc/48/81/81/570488181.db2.gz IHUPMXVRXJJMFJ-OAQYLSRUSA-N 0 3 375.896 4.150 40 0 GIABHN Cc1ccccc1CN1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000224688932 570524955 /nfs/dbraw/zinc/52/49/55/570524955.db2.gz AIZJCPQNJDRFQC-UHFFFAOYSA-N 0 3 392.528 4.364 40 0 GIABHN Cc1cc(OCC(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl ZINC000224831251 570532729 /nfs/dbraw/zinc/53/27/29/570532729.db2.gz LLQKXFLNLBZVKD-UHFFFAOYSA-N 0 3 386.923 4.330 40 0 GIABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2cccc(Oc3ccccc3)c2)C1 ZINC000035622946 570556809 /nfs/dbraw/zinc/55/68/09/570556809.db2.gz NSQRQRJDMLTDCH-RXVVDRJESA-N 0 3 397.519 4.078 40 0 GIABHN O=C(CCc1c(Cl)cccc1Cl)NCCCN1CCc2ccccc2C1 ZINC000225362217 570567373 /nfs/dbraw/zinc/56/73/73/570567373.db2.gz POUPDVFDPNDKPE-UHFFFAOYSA-N 0 3 391.342 4.491 40 0 GIABHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964144 570594764 /nfs/dbraw/zinc/59/47/64/570594764.db2.gz NASWILVRGKHAFH-GOSISDBHSA-N 0 3 394.862 4.077 40 0 GIABHN CO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225635437 570596724 /nfs/dbraw/zinc/59/67/24/570596724.db2.gz CBQJPURPEFSDTG-WMZHIEFXSA-N 0 3 388.552 4.331 40 0 GIABHN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225702900 570606079 /nfs/dbraw/zinc/60/60/79/570606079.db2.gz BLTPWVBGNXBOGL-JOCHJYFZSA-N 0 3 376.541 4.475 40 0 GIABHN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225738425 570611498 /nfs/dbraw/zinc/61/14/98/570611498.db2.gz HZEDPYWWLXQQDQ-QFIPXVFZSA-N 0 3 376.541 4.475 40 0 GIABHN COc1ccc(CN(Cc2c[nH]c3ccccc23)C[C@H]2CCCO2)cc1OC ZINC000012187294 570621438 /nfs/dbraw/zinc/62/14/38/570621438.db2.gz XELIEWXHXOQVKU-LJQANCHMSA-N 0 3 380.488 4.366 40 0 GIABHN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000044852969 570636256 /nfs/dbraw/zinc/63/62/56/570636256.db2.gz DVRLEVCPUZHKIO-HXUWFJFHSA-N 0 3 380.532 4.424 40 0 GIABHN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004866924 570641170 /nfs/dbraw/zinc/64/11/70/570641170.db2.gz GFUQQOVSQZRWCR-USGALAMMSA-N 0 3 397.519 4.182 40 0 GIABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000044936281 570644403 /nfs/dbraw/zinc/64/44/03/570644403.db2.gz MTGNATQVGDHZHX-QHCPKHFHSA-N 0 3 380.532 4.483 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Cl ZINC000044939926 570644799 /nfs/dbraw/zinc/64/47/99/570644799.db2.gz LOBDCJLTEZLLRL-UHFFFAOYSA-N 0 3 386.879 4.365 40 0 GIABHN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625738 570665469 /nfs/dbraw/zinc/66/54/69/570665469.db2.gz UTQAWKRUTNWPHS-YOEHRIQHSA-N 0 3 388.943 4.091 40 0 GIABHN CCn1cc(CN2CCC(c3cccc(Nc4nc(C)cs4)n3)CC2)c(C)n1 ZINC000257210631 570760994 /nfs/dbraw/zinc/76/09/94/570760994.db2.gz BVNKOKJQKXUCOS-UHFFFAOYSA-N 0 3 396.564 4.495 40 0 GIABHN CNc1cc([C@H]2CCCN2C(=O)c2ccccc2CN2CCCCC2)ccn1 ZINC000257238957 570767463 /nfs/dbraw/zinc/76/74/63/570767463.db2.gz HNFXFGFRAWQSEZ-OAQYLSRUSA-N 0 3 378.520 4.087 40 0 GIABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2cccc(Cl)c2)c1 ZINC000257252848 570770638 /nfs/dbraw/zinc/77/06/38/570770638.db2.gz JWHZOFATROEVAX-UHFFFAOYSA-N 0 3 379.891 4.394 40 0 GIABHN CCn1cc(CN2CC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cn1 ZINC000257320289 570780827 /nfs/dbraw/zinc/78/08/27/570780827.db2.gz VWBPCZQSGKVHJP-IBGZPJMESA-N 0 3 391.519 4.348 40 0 GIABHN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257334887 570783509 /nfs/dbraw/zinc/78/35/09/570783509.db2.gz YHUJOOZSELWNFW-INIZCTEOSA-N 0 3 393.466 4.324 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100339 570923966 /nfs/dbraw/zinc/92/39/66/570923966.db2.gz DHOHXGKQAOIWNR-QHCPKHFHSA-N 0 3 382.479 4.192 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100339 570923970 /nfs/dbraw/zinc/92/39/70/570923970.db2.gz DHOHXGKQAOIWNR-QHCPKHFHSA-N 0 3 382.479 4.192 40 0 GIABHN c1ccc(CNc2ccc3nc([C@H]4CCCN(Cc5ccncc5)C4)nn3c2)cc1 ZINC000306124132 570935749 /nfs/dbraw/zinc/93/57/49/570935749.db2.gz BHAAEKGEOTTWKA-NRFANRHFSA-N 0 3 398.514 4.116 40 0 GIABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306125559 570936921 /nfs/dbraw/zinc/93/69/21/570936921.db2.gz CTYZLRWHZBBJAY-JOCHJYFZSA-N 0 3 383.499 4.479 40 0 GIABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1OC ZINC000306139456 570944240 /nfs/dbraw/zinc/94/42/40/570944240.db2.gz SXTUUMTZOXGVED-KRWDZBQOSA-N 0 3 392.503 4.145 40 0 GIABHN O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019343531 570977022 /nfs/dbraw/zinc/97/70/22/570977022.db2.gz PZVGFULPWMCLPJ-VAMGGRTRSA-N 0 3 386.586 4.426 40 0 GIABHN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000019503703 570993732 /nfs/dbraw/zinc/99/37/32/570993732.db2.gz XYGILKPYSUWMKS-LJQANCHMSA-N 0 3 377.488 4.347 40 0 GIABHN CCN1CCN(Cc2ccccc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527760 570998075 /nfs/dbraw/zinc/99/80/75/570998075.db2.gz HCTGDHXYBQFLNH-XMMPIXPASA-N 0 3 399.538 4.272 40 0 GIABHN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(Cc2ccncc2)CC1 ZINC000019569133 571009283 /nfs/dbraw/zinc/00/92/83/571009283.db2.gz SMVDKXSTRYJLAI-UHFFFAOYSA-N 0 3 376.382 4.325 40 0 GIABHN CN(C)CCN(Cc1cccs1)Cc1coc2ccc(Cl)cc2c1=O ZINC000019582682 571014021 /nfs/dbraw/zinc/01/40/21/571014021.db2.gz MXCMFRVABZPBBH-UHFFFAOYSA-N 0 3 376.909 4.072 40 0 GIABHN CCCSc1nnc(NC(=O)C2CCN(Cc3ccccc3C)CC2)s1 ZINC000222582563 222610462 /nfs/dbraw/zinc/61/04/62/222610462.db2.gz KDTJNDBQYNGTLT-UHFFFAOYSA-N 0 3 390.578 4.199 40 0 GIABHN Cc1ccc(C)c(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000224020593 222650474 /nfs/dbraw/zinc/65/04/74/222650474.db2.gz ZESVFJKMFRRWCS-UHFFFAOYSA-N 0 3 380.532 4.344 40 0 GIABHN CCOc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225772192 222696574 /nfs/dbraw/zinc/69/65/74/222696574.db2.gz TZXSGGILMAEIOU-UHFFFAOYSA-N 0 3 399.560 4.045 40 0 GIABHN CCN(CC)CCOC(=O)Cc1cc(C)cc2c(=O)cc(-c3ccccc3)oc12 ZINC000001582684 212249864 /nfs/dbraw/zinc/24/98/64/212249864.db2.gz SFIYTPVSHXBPKV-UHFFFAOYSA-N 0 3 393.483 4.196 40 0 GIABHN COc1ccc(CN(Cc2ccc3ncccc3c2)C[C@H]2CCCO2)cc1OC ZINC000012118239 221153371 /nfs/dbraw/zinc/15/33/71/221153371.db2.gz XUDLKAIHVPRQCZ-OAQYLSRUSA-N 0 3 392.499 4.433 40 0 GIABHN O[C@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292445 221175873 /nfs/dbraw/zinc/17/58/73/221175873.db2.gz XLBULTZRKIGZDU-GOSISDBHSA-N 0 3 399.840 4.376 40 0 GIABHN CC(C)(C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012293562 221175990 /nfs/dbraw/zinc/17/59/90/221175990.db2.gz LPIHUACXSTZTJA-FCHUYYIVSA-N 0 3 395.543 4.368 40 0 GIABHN Cc1cc(C)n(CCNCc2cc(-c3ccccc3)cnc2-c2ccncc2)n1 ZINC000012223000 221170647 /nfs/dbraw/zinc/17/06/47/221170647.db2.gz FSXAADAWBXOOOW-UHFFFAOYSA-N 0 3 383.499 4.414 40 0 GIABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081902 221395830 /nfs/dbraw/zinc/39/58/30/221395830.db2.gz XGORMNGAWILSHX-DENIHFKCSA-N 0 3 395.547 4.206 40 0 GIABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019081877 221396295 /nfs/dbraw/zinc/39/62/95/221396295.db2.gz KRKFTHKVXUPRMG-GHTZIAJQSA-N 0 3 383.511 4.336 40 0 GIABHN COc1ccccc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019082076 221396620 /nfs/dbraw/zinc/39/66/20/221396620.db2.gz WVVUEROKQQGUQV-QFIPXVFZSA-N 0 3 395.547 4.206 40 0 GIABHN COc1cccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082049 221396904 /nfs/dbraw/zinc/39/69/04/221396904.db2.gz LGEAGVZAWGWKMQ-QFIPXVFZSA-N 0 3 395.547 4.206 40 0 GIABHN COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCCN(C/C=C/c3ccco3)C1)CC2 ZINC000072342497 222231654 /nfs/dbraw/zinc/23/16/54/222231654.db2.gz FSMFKTXHTIZVEI-WQHZJRCTSA-N 0 3 396.531 4.394 40 0 GIABHN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072345896 222233058 /nfs/dbraw/zinc/23/30/58/222233058.db2.gz MUUINTFRLSSLBQ-QGZVFWFLSA-N 0 3 380.442 4.384 40 0 GIABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000072344783 222233330 /nfs/dbraw/zinc/23/33/30/222233330.db2.gz FNFCFXKZBPRWKP-OAQYLSRUSA-N 0 3 388.515 4.062 40 0 GIABHN CCn1ncc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)c1C ZINC000072376055 222242703 /nfs/dbraw/zinc/24/27/03/222242703.db2.gz OVBWOZOZSGZAGS-IBGZPJMESA-N 0 3 390.535 4.433 40 0 GIABHN Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)n1 ZINC000072391705 222249152 /nfs/dbraw/zinc/24/91/52/222249152.db2.gz FRJCGKYXEXGCEU-UHFFFAOYSA-N 0 3 383.561 4.416 40 0 GIABHN CCOc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)cc1OC ZINC000072395567 222251777 /nfs/dbraw/zinc/25/17/77/222251777.db2.gz IFOLIJXFJXXADH-VQTJNVASSA-N 0 3 395.478 4.339 40 0 GIABHN CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096036984 222373638 /nfs/dbraw/zinc/37/36/38/222373638.db2.gz PDTCTYGTRNUOHZ-UHFFFAOYSA-N 0 3 390.506 4.126 40 0 GIABHN Fc1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cc1 ZINC000096038248 222374491 /nfs/dbraw/zinc/37/44/91/222374491.db2.gz SOQYXJLGFNFETM-UHFFFAOYSA-N 0 3 387.462 4.310 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052664 222374516 /nfs/dbraw/zinc/37/45/16/222374516.db2.gz MEWRKBKXKOMOJC-FQEVSTJZSA-N 0 3 378.516 4.217 40 0 GIABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096052631 222374729 /nfs/dbraw/zinc/37/47/29/222374729.db2.gz PEYCUHDHWAMSMY-HXUWFJFHSA-N 0 3 377.532 4.017 40 0 GIABHN O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000096625613 570231747 /nfs/dbraw/zinc/23/17/47/570231747.db2.gz UJXDDBOJXNNPPR-UHFFFAOYSA-N 0 3 381.495 4.277 40 0 GIABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)c(Cl)c1 ZINC000020035579 570236168 /nfs/dbraw/zinc/23/61/68/570236168.db2.gz JKDLELHKIRLVTF-UHFFFAOYSA-N 0 3 386.879 4.365 40 0 GIABHN Cc1cc(OC[C@@]2(O)CCCN(Cc3ccc(O)cc3)C2)cc(C)c1Cl ZINC000585272738 570242469 /nfs/dbraw/zinc/24/24/69/570242469.db2.gz JGONUXSLVRSJJS-OAQYLSRUSA-N 0 3 375.896 4.068 40 0 GIABHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022133959 570306490 /nfs/dbraw/zinc/30/64/90/570306490.db2.gz KEURUDOIFSKUJR-FQEVSTJZSA-N 0 3 378.863 4.455 40 0 GIABHN CC(C)N1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216483 570317360 /nfs/dbraw/zinc/31/73/60/570317360.db2.gz MLJWHPLJPZLZBJ-IBGZPJMESA-N 0 3 388.556 4.074 40 0 GIABHN COc1ccc(OCCc2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)[nH]n2)cc1 ZINC000072371213 570339890 /nfs/dbraw/zinc/33/98/90/570339890.db2.gz GLHHNVNGMAPBES-GOSISDBHSA-N 0 3 395.478 4.168 40 0 GIABHN COc1ccc(OCCc2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)n[nH]2)cc1 ZINC000072371213 570339891 /nfs/dbraw/zinc/33/98/91/570339891.db2.gz GLHHNVNGMAPBES-GOSISDBHSA-N 0 3 395.478 4.168 40 0 GIABHN O=C(CSCc1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 ZINC000024181852 570380111 /nfs/dbraw/zinc/38/01/11/570380111.db2.gz RNJSGRCVWJLPHW-UHFFFAOYSA-N 0 3 386.536 4.361 40 0 GIABHN O=C(C[C@@H]1CCNC[C@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938978 570398632 /nfs/dbraw/zinc/39/86/32/570398632.db2.gz PHAQBQSJYZAIJZ-GOEBONIOSA-N 0 3 391.487 4.027 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101176397 570423573 /nfs/dbraw/zinc/42/35/73/570423573.db2.gz HCYCUAOHHQFOOQ-FSSWDIPSSA-N 0 3 384.435 4.046 40 0 GIABHN CCOP(=O)(OCC)[C@H]1CCCN2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000005395555 570437560 /nfs/dbraw/zinc/43/75/60/570437560.db2.gz UEELLPKZJAUWGO-RBUKOAKNSA-N 0 3 383.425 4.032 40 0 GIABHN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039761672 570445712 /nfs/dbraw/zinc/44/57/12/570445712.db2.gz ZWFPQMXJLGUCHE-UHFFFAOYSA-N 0 3 391.284 4.439 40 0 GIABHN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000005675233 570451003 /nfs/dbraw/zinc/45/10/03/570451003.db2.gz NYQYXHSJVXWTDY-LJQANCHMSA-N 0 3 395.547 4.360 40 0 GIABHN CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000223716867 570481042 /nfs/dbraw/zinc/48/10/42/570481042.db2.gz WGMHMHOXNNKCNJ-UHFFFAOYSA-N 0 3 394.559 4.391 40 0 GIABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCF)cc2)c2ccccc12 ZINC000257251637 570488131 /nfs/dbraw/zinc/48/81/31/570488131.db2.gz JRNVTLLDHPWTRA-HXUWFJFHSA-N 0 3 384.495 4.099 40 0 GIABHN Cc1ccc(C(C)C)c(OCC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000032399082 570510348 /nfs/dbraw/zinc/51/03/48/570510348.db2.gz HCMIFFCEPHTAQJ-UHFFFAOYSA-N 0 3 380.532 4.062 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(C)c(C)c3)CC2)c1 ZINC000224529598 570516715 /nfs/dbraw/zinc/51/67/15/570516715.db2.gz ZQQGHLXHNFEABG-UHFFFAOYSA-N 0 3 380.532 4.019 40 0 GIABHN CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000224553766 570518119 /nfs/dbraw/zinc/51/81/19/570518119.db2.gz ZLVQQORDYINBPJ-UHFFFAOYSA-N 0 3 398.522 4.185 40 0 GIABHN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836828 570533252 /nfs/dbraw/zinc/53/32/52/570533252.db2.gz BPPDSOMBSPDVSZ-QHCPKHFHSA-N 0 3 380.532 4.455 40 0 GIABHN O=C(NCCSc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038836483 570587096 /nfs/dbraw/zinc/58/70/96/570587096.db2.gz CUTUEUVPDWELPQ-SFHVURJKSA-N 0 3 388.964 4.461 40 0 GIABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1Cl ZINC000039964131 570594656 /nfs/dbraw/zinc/59/46/56/570594656.db2.gz UETWOSUWYKWRHF-SFHVURJKSA-N 0 3 394.862 4.077 40 0 GIABHN COc1cc(C)c(C(=O)NCCCN2CCc3ccccc3C2)cc1C(C)C ZINC000225668242 570600513 /nfs/dbraw/zinc/60/05/13/570600513.db2.gz AHNPTDLUGKHUMV-UHFFFAOYSA-N 0 3 380.532 4.305 40 0 GIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]nc2-c2ccccc2)o1 ZINC000043277762 570627002 /nfs/dbraw/zinc/62/70/02/570627002.db2.gz WCWPUSZOOLTERK-UHFFFAOYSA-N 0 3 375.476 4.267 40 0 GIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000043277821 570627307 /nfs/dbraw/zinc/62/73/07/570627307.db2.gz UQXVTKPQHHVNRA-LJQANCHMSA-N 0 3 391.515 4.308 40 0 GIABHN CCOc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000004856887 570638355 /nfs/dbraw/zinc/63/83/55/570638355.db2.gz VNNQEZICHGWQNR-AYHJJNSGSA-N 0 3 385.533 4.160 40 0 GIABHN O=C(NCCCc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044906247 570641826 /nfs/dbraw/zinc/64/18/26/570641826.db2.gz UNSIRBFAJMSMCW-IBGZPJMESA-N 0 3 388.914 4.440 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000044911645 570642463 /nfs/dbraw/zinc/64/24/63/570642463.db2.gz YJUZXEOCOPHGDG-GOSISDBHSA-N 0 3 398.478 4.162 40 0 GIABHN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccncc3)N21 ZINC000260788363 570705539 /nfs/dbraw/zinc/70/55/39/570705539.db2.gz ZGSPHXYXFCIADS-XPGWFJOJSA-N 0 3 375.501 4.247 40 0 GIABHN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccncc3)N21 ZINC000260788365 570705563 /nfs/dbraw/zinc/70/55/63/570705563.db2.gz ZGSPHXYXFCIADS-YSGRDPCXSA-N 0 3 375.501 4.247 40 0 GIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(CCN3CCCC3=O)C2)n1 ZINC000257208098 570761047 /nfs/dbraw/zinc/76/10/47/570761047.db2.gz BKTIAXAUVAIAEP-GOSISDBHSA-N 0 3 396.510 4.075 40 0 GIABHN CNc1ncccc1CN1CCC(c2cccc(-c3c(C)noc3C)n2)CC1 ZINC000257241566 570768493 /nfs/dbraw/zinc/76/84/93/570768493.db2.gz HYOLGQGQEYBKBK-UHFFFAOYSA-N 0 3 377.492 4.170 40 0 GIABHN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C[C@H]3CCOC3)cc2N1 ZINC000257283058 570902776 /nfs/dbraw/zinc/90/27/76/570902776.db2.gz OWPRLUNJDLJKOA-YALNPMBYSA-N 0 3 386.462 4.000 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133010 570940448 /nfs/dbraw/zinc/94/04/48/570940448.db2.gz LYTOOYQYXPSBOW-NRFANRHFSA-N 0 3 399.498 4.180 40 0 GIABHN COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)c1 ZINC000585109318 570941134 /nfs/dbraw/zinc/94/11/34/570941134.db2.gz IOQKZNZUQDBYMC-JAXLGGSGSA-N 0 3 396.506 4.267 40 0 GIABHN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(C)s4)C2)OC3)cc1 ZINC000306138452 570943614 /nfs/dbraw/zinc/94/36/14/570943614.db2.gz RXUDDJMDCVYHNA-QFIPXVFZSA-N 0 3 395.528 4.104 40 0 GIABHN Fc1cccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141447 570945313 /nfs/dbraw/zinc/94/53/13/570945313.db2.gz VWMGKSGUNVTZAT-FQEVSTJZSA-N 0 3 387.462 4.310 40 0 GIABHN COc1c(C)cccc1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(C)=O ZINC000019236009 570966569 /nfs/dbraw/zinc/96/65/69/570966569.db2.gz DGDGGIXMAONOLA-DNVJHFABSA-N 0 3 396.506 4.122 40 0 GIABHN CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019446658 570984181 /nfs/dbraw/zinc/98/41/81/570984181.db2.gz WXOUJDFYQJEDSB-AUSIDOKSSA-N 0 3 383.511 4.336 40 0 GIABHN COc1ccccc1-c1ccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497385 570990117 /nfs/dbraw/zinc/99/01/17/570990117.db2.gz VCPMNXIKEUVYHL-BGYRXZFFSA-N 0 3 394.559 4.436 40 0 GIABHN CCn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccc(F)cc21 ZINC000019524735 570996718 /nfs/dbraw/zinc/99/67/18/570996718.db2.gz OAAWAYJJSGBIGY-UHFFFAOYSA-N 0 3 382.479 4.293 40 0 GIABHN CCCc1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)no1 ZINC000019525345 570996773 /nfs/dbraw/zinc/99/67/73/570996773.db2.gz CJFUGWYUBFAZOF-CEMLEFRQSA-N 0 3 381.520 4.110 40 0 GIABHN CCOCc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1 ZINC000019531300 570998664 /nfs/dbraw/zinc/99/86/64/570998664.db2.gz JIMJGNDUZACTGD-DNVJHFABSA-N 0 3 396.506 4.065 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000004899155 571004555 /nfs/dbraw/zinc/00/45/55/571004555.db2.gz XAMAGBJBSKQBOE-SGIRGMQISA-N 0 3 398.462 4.436 40 0 GIABHN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019591319 571018533 /nfs/dbraw/zinc/01/85/33/571018533.db2.gz OLAIVQSHVPMANF-SANMLTNESA-N 0 3 399.538 4.320 40 0 GIABHN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019591343 571018684 /nfs/dbraw/zinc/01/86/84/571018684.db2.gz SXUIWUAXGMHBGE-SANMLTNESA-N 0 3 399.538 4.320 40 0 GIABHN O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503415 575369913 /nfs/dbraw/zinc/36/99/13/575369913.db2.gz JNGKQOAORCQCPA-ZWKOTPCHSA-N 0 3 392.449 4.413 40 0 biogenic,in-vitro GIABHN CNc1cc(CN(C)Cc2ccc(-c3ccccc3)cc2)nc([C@H]2CCCN2)n1 ZINC000019759814 818605174 /nfs/dbraw/zinc/60/51/74/818605174.db2.gz TZJWMVIPVWSXTI-JOCHJYFZSA-N 0 3 387.531 4.242 40 0 GIABHN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933149 821682227 /nfs/dbraw/zinc/68/22/27/821682227.db2.gz TULIAJBVIRCGBA-APWZRJJASA-N 0 3 386.923 4.438 40 0 GIABHN O=C(N1CCC[C@H](N2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000408604740 231076206 /nfs/dbraw/zinc/07/62/06/231076206.db2.gz DWSJNMYCEHPLMS-SBTPEUDISA-N 0 3 378.560 4.252 40 0 GIABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccccc1 ZINC000224156622 222650779 /nfs/dbraw/zinc/65/07/79/222650779.db2.gz MEBBFNUFVFVTDQ-FGZHOGPDSA-N 0 3 397.507 4.444 40 0 GIABHN COc1ccc(CSCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224807486 222664441 /nfs/dbraw/zinc/66/44/41/222664441.db2.gz YLFRKJDMSCATNA-UHFFFAOYSA-N 0 3 398.572 4.231 40 0 GIABHN CCOCc1cc(CN2CCC(c3cc4cccnc4[nH]3)CC2)ccc1OC ZINC000012133393 221157869 /nfs/dbraw/zinc/15/78/69/221157869.db2.gz GPFKJRZSBHIEEF-UHFFFAOYSA-N 0 3 379.504 4.488 40 0 GIABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012292270 221175342 /nfs/dbraw/zinc/17/53/42/221175342.db2.gz NFKJCWGYZJEMCH-NRFANRHFSA-N 0 3 383.532 4.010 40 0 GIABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293574 221176355 /nfs/dbraw/zinc/17/63/55/221176355.db2.gz GOQSFCPKIPESES-DHIUTWEWSA-N 0 3 389.495 4.224 40 0 GIABHN Cc1nccc(-c2ccc(-c3noc(CN4C[C@@H]5CCCC[C@@H]5C4)n3)cc2)n1 ZINC000012337171 221182503 /nfs/dbraw/zinc/18/25/03/221182503.db2.gz BKXCANRFTVQIGA-KDURUIRLSA-N 0 3 375.476 4.124 40 0 GIABHN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)Cc2cccc3ccccc32)n1 ZINC000012185928 221164482 /nfs/dbraw/zinc/16/44/82/221164482.db2.gz KQSXBJBFQACXKI-QFIPXVFZSA-N 0 3 389.499 4.309 40 0 GIABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000012239835 221171438 /nfs/dbraw/zinc/17/14/38/221171438.db2.gz UNGUNQZVTACLJX-LJQANCHMSA-N 0 3 385.577 4.350 40 0 GIABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012239764 221172108 /nfs/dbraw/zinc/17/21/08/221172108.db2.gz MCWAVATYKZWPLG-GOSISDBHSA-N 0 3 389.540 4.181 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(Cc4cccc(F)c4)C3)cc2n1 ZINC000019117114 221397068 /nfs/dbraw/zinc/39/70/68/221397068.db2.gz VDJDQYVPBVCIKA-CQSZACIVSA-N 0 3 378.373 4.185 40 0 GIABHN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000024182129 221610068 /nfs/dbraw/zinc/61/00/68/221610068.db2.gz GZVPYAXDXQSLEC-KRWDZBQOSA-N 0 3 386.923 4.410 40 0 GIABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330379 222229115 /nfs/dbraw/zinc/22/91/15/222229115.db2.gz OWBSAKCTQZGDKT-HYBUGGRVSA-N 0 3 395.547 4.206 40 0 GIABHN Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(Cc3ccccc3)C2)on1 ZINC000072342824 222231167 /nfs/dbraw/zinc/23/11/67/222231167.db2.gz SPNAPAYKTSFRQG-IBGZPJMESA-N 0 3 387.487 4.381 40 0 GIABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072345958 222232983 /nfs/dbraw/zinc/23/29/83/222232983.db2.gz KKUVOENTSZDNIY-KRWDZBQOSA-N 0 3 379.895 4.154 40 0 GIABHN CCCN1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370385 222241466 /nfs/dbraw/zinc/24/14/66/222241466.db2.gz ZIGRCXZZBWYNDO-QGZVFWFLSA-N 0 3 386.561 4.181 40 0 GIABHN CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1cccc(Br)c1 ZINC000089212757 222327360 /nfs/dbraw/zinc/32/73/60/222327360.db2.gz LSPYZKHPNHTEIH-INIZCTEOSA-N 0 3 383.330 4.328 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)NC1CCC1 ZINC000096052740 222374085 /nfs/dbraw/zinc/37/40/85/222374085.db2.gz KSAWVFJFLNCKQG-SFHVURJKSA-N 0 3 378.516 4.360 40 0 GIABHN CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053255 222375535 /nfs/dbraw/zinc/37/55/35/222375535.db2.gz JZKXRUGGLBOYMN-KRWDZBQOSA-N 0 3 384.545 4.094 40 0 GIABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NC1CC1 ZINC000096052973 222375576 /nfs/dbraw/zinc/37/55/76/222375576.db2.gz XFXHJHKDGXEZGZ-GOSISDBHSA-N 0 3 380.557 4.438 40 0 GIABHN CC(C)[C@H](NCc1ccc(F)cc1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744441 519820900 /nfs/dbraw/zinc/82/09/00/519820900.db2.gz KKOCJOVNNHYTFI-QFIPXVFZSA-N 0 3 391.450 4.123 40 0 GIABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000005092373 570222845 /nfs/dbraw/zinc/22/28/45/570222845.db2.gz SYBDVGVMJKJPBQ-WWNPGLIZSA-N 0 3 398.462 4.355 40 0 GIABHN OCCN1CCC(c2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1 ZINC000585263219 570231742 /nfs/dbraw/zinc/23/17/42/570231742.db2.gz PYGKQBQIIYWLMJ-UHFFFAOYSA-N 0 3 380.517 4.120 40 0 GIABHN O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000585289180 570257383 /nfs/dbraw/zinc/25/73/83/570257383.db2.gz NIZOCPBKUXEDON-IPMKNSEASA-N 0 3 383.385 4.295 40 0 GIABHN Cc1cccc(OC[C@]2(O)COCCN([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585287791 570259070 /nfs/dbraw/zinc/25/90/70/570259070.db2.gz RUOMLCIQWFCIAF-VDKIKQQVSA-N 0 3 395.543 4.164 40 0 GIABHN COC(=O)c1cn(C(=O)C2CCN(Cc3cccc(C)c3)CC2)c2ccccc12 ZINC000222624804 570417336 /nfs/dbraw/zinc/41/73/36/570417336.db2.gz DIQLBPGOJWSHCM-UHFFFAOYSA-N 0 3 390.483 4.289 40 0 GIABHN CCn1c(COc2cccc3ccccc32)nnc1SCCN1CCCC1 ZINC000004936931 570418974 /nfs/dbraw/zinc/41/89/74/570418974.db2.gz JBLKHXMIKCEJAX-UHFFFAOYSA-N 0 3 382.533 4.218 40 0 GIABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222704883 570421581 /nfs/dbraw/zinc/42/15/81/570421581.db2.gz SUFAUDLRFHVIEM-SFHVURJKSA-N 0 3 394.515 4.181 40 0 GIABHN Cc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000030551652 570491533 /nfs/dbraw/zinc/49/15/33/570491533.db2.gz LQDNYYZKAXGVMD-UHFFFAOYSA-N 0 3 380.532 4.456 40 0 GIABHN CCCc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000224096265 570498397 /nfs/dbraw/zinc/49/83/97/570498397.db2.gz MUGDSBSCTVLGOR-UHFFFAOYSA-N 0 3 380.532 4.434 40 0 GIABHN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000030943306 570501485 /nfs/dbraw/zinc/50/14/85/570501485.db2.gz WDBAPNMCEWDVTE-NRFANRHFSA-N 0 3 394.515 4.494 40 0 GIABHN O=C(NCc1ccccc1CN1CCCCC1)C1(c2ccccc2)CCOCC1 ZINC000032800501 570514043 /nfs/dbraw/zinc/51/40/43/570514043.db2.gz RQPAXLIJPLXEQE-UHFFFAOYSA-N 0 3 392.543 4.037 40 0 GIABHN CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000224525987 570516403 /nfs/dbraw/zinc/51/64/03/570516403.db2.gz FHDKAOBTCOHHIH-UHFFFAOYSA-N 0 3 394.559 4.391 40 0 GIABHN O=S(=O)([N-]Cc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)ccc1Cl ZINC000224609203 570520468 /nfs/dbraw/zinc/52/04/68/570520468.db2.gz FYIFFTHUGPTZQF-UHFFFAOYSA-N 0 3 399.343 4.068 40 0 GIABHN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010327385 570568967 /nfs/dbraw/zinc/56/89/67/570568967.db2.gz BWPMAEWPULZQRC-UHFFFAOYSA-N 0 3 379.504 4.017 40 0 GIABHN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225622763 570595755 /nfs/dbraw/zinc/59/57/55/570595755.db2.gz YFAJEDPUKLLQKO-QFIPXVFZSA-N 0 3 376.541 4.475 40 0 GIABHN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225744826 570612412 /nfs/dbraw/zinc/61/24/12/570612412.db2.gz HUBJBAJQSRWVJF-QFIPXVFZSA-N 0 3 376.541 4.475 40 0 GIABHN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225744799 570612566 /nfs/dbraw/zinc/61/25/66/570612566.db2.gz HUBJBAJQSRWVJF-JOCHJYFZSA-N 0 3 376.541 4.475 40 0 GIABHN O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2cc(Br)ccc21 ZINC000225901006 570632328 /nfs/dbraw/zinc/63/23/28/570632328.db2.gz CSVHLTMVDRATQG-GOSISDBHSA-N 0 3 399.332 4.250 40 0 GIABHN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000044852971 570636291 /nfs/dbraw/zinc/63/62/91/570636291.db2.gz DVRLEVCPUZHKIO-FQEVSTJZSA-N 0 3 380.532 4.424 40 0 GIABHN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000044911647 570642116 /nfs/dbraw/zinc/64/21/16/570642116.db2.gz YJUZXEOCOPHGDG-SFHVURJKSA-N 0 3 398.478 4.162 40 0 GIABHN Cc1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044908822 570642483 /nfs/dbraw/zinc/64/24/83/570642483.db2.gz VNNYBRXSIKTEHM-IBGZPJMESA-N 0 3 386.923 4.056 40 0 GIABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102732057 570720591 /nfs/dbraw/zinc/72/05/91/570720591.db2.gz BIBIMNXLUWFCTR-IPMKNSEASA-N 0 3 384.863 4.065 40 0 GIABHN CCOC(=O)c1ccc(-c2ccc(CNCCc3ccc(OC)cc3)o2)cc1 ZINC000007520256 570760123 /nfs/dbraw/zinc/76/01/23/570760123.db2.gz VNQDFYPTTRYNME-UHFFFAOYSA-N 0 3 379.456 4.464 40 0 GIABHN COc1cccc(CN2CCC(c3cncc(Nc4ncccc4C)n3)CC2)c1 ZINC000257234185 570766068 /nfs/dbraw/zinc/76/60/68/570766068.db2.gz GSMUHHAHZGHDGK-UHFFFAOYSA-N 0 3 389.503 4.312 40 0 GIABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013681318 570773321 /nfs/dbraw/zinc/77/33/21/570773321.db2.gz BUIJASHHHNRYMX-UHFFFAOYSA-N 0 3 397.950 4.288 40 0 GIABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000257275010 570773940 /nfs/dbraw/zinc/77/39/40/570773940.db2.gz NNPDFPYKIMEIIQ-GOSISDBHSA-N 0 3 387.487 4.252 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100554 570924607 /nfs/dbraw/zinc/92/46/07/570924607.db2.gz NHNBLCAPIJHUMT-HSZRJFAPSA-N 0 3 382.479 4.192 40 0 GIABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100554 570924609 /nfs/dbraw/zinc/92/46/09/570924609.db2.gz NHNBLCAPIJHUMT-HSZRJFAPSA-N 0 3 382.479 4.192 40 0 GIABHN Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125431 570936308 /nfs/dbraw/zinc/93/63/08/570936308.db2.gz CQPAMJDHTGFXDH-QHCPKHFHSA-N 0 3 377.463 4.173 40 0 GIABHN Fc1ccccc1-c1cnc2nnc(C3CCN(Cc4ccsc4)CC3)n2c1 ZINC000306130725 570939312 /nfs/dbraw/zinc/93/93/12/570939312.db2.gz JOBOJAIUUMTCJB-UHFFFAOYSA-N 0 3 393.491 4.372 40 0 GIABHN Fc1ccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133819 570941043 /nfs/dbraw/zinc/94/10/43/570941043.db2.gz MXANRQJGKAVFFZ-HXUWFJFHSA-N 0 3 387.462 4.310 40 0 GIABHN Clc1cccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 ZINC000306134464 570941456 /nfs/dbraw/zinc/94/14/56/570941456.db2.gz NOKTUTBOWGBUJM-HSZRJFAPSA-N 0 3 390.918 4.294 40 0 GIABHN Fc1ccc(CN2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)cc1 ZINC000306136907 570942862 /nfs/dbraw/zinc/94/28/62/570942862.db2.gz QGJCVTRLFIKMKK-UHFFFAOYSA-N 0 3 387.462 4.310 40 0 GIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1cccc(Cl)c1 ZINC000019238579 570967943 /nfs/dbraw/zinc/96/79/43/570967943.db2.gz CEZIHGPNBIIJJH-UHFFFAOYSA-N 0 3 378.969 4.434 40 0 GIABHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC1CCC2(CC2(F)F)CC1 ZINC000660515931 570973194 /nfs/dbraw/zinc/97/31/94/570973194.db2.gz ZWCQCUDBJQGESK-MDCZIUGASA-N 0 3 397.535 4.227 40 0 GIABHN CCOc1ccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1OC ZINC000019533758 570999726 /nfs/dbraw/zinc/99/97/26/570999726.db2.gz UZJLKQQLWHCZQB-UHFFFAOYSA-N 0 3 380.492 4.053 40 0 GIABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(Cn2ccnc2C)CC1 ZINC000019715473 571037273 /nfs/dbraw/zinc/03/72/73/571037273.db2.gz NUIWJHBZUTVZTC-UHFFFAOYSA-N 0 3 381.499 4.045 40 0 GIABHN CC(C)Oc1ccc(CN2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702565 818600696 /nfs/dbraw/zinc/60/06/96/818600696.db2.gz BJZHYLHWVKQVBK-MRXNPFEDSA-N 0 3 395.528 4.172 40 0 GIABHN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837087 222663613 /nfs/dbraw/zinc/66/36/13/222663613.db2.gz VGMGDXNZDJELQV-JOCHJYFZSA-N 0 3 384.495 4.285 40 0 GIABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001664912 212252255 /nfs/dbraw/zinc/25/22/55/212252255.db2.gz FNVGFAUPZCPJLV-UHFFFAOYSA-N 0 3 389.883 4.483 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3cccc(Oc4ncccn4)c3)CC2)cc1 ZINC000012328451 221182227 /nfs/dbraw/zinc/18/22/27/221182227.db2.gz IPBZGSWQPYFWMX-UHFFFAOYSA-N 0 3 375.472 4.061 40 0 GIABHN NC(=O)CCn1cc(CNC2(c3ccccc3F)CCCC2)c2ccccc21 ZINC000012328389 221182340 /nfs/dbraw/zinc/18/23/40/221182340.db2.gz IHIPBIKMQYHLNK-UHFFFAOYSA-N 0 3 379.479 4.215 40 0 GIABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329807 221183202 /nfs/dbraw/zinc/18/32/02/221183202.db2.gz PNAIPXYJYHICDW-WOJBJXKFSA-N 0 3 387.907 4.033 40 0 GIABHN CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000012362790 221185176 /nfs/dbraw/zinc/18/51/76/221185176.db2.gz VFGUTDBZVZHMLM-GOSISDBHSA-N 0 3 385.577 4.268 40 0 GIABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000012362775 221185593 /nfs/dbraw/zinc/18/55/93/221185593.db2.gz OKYBAYHMFJGHKB-KRWDZBQOSA-N 0 3 391.968 4.305 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012219345 221169738 /nfs/dbraw/zinc/16/97/38/221169738.db2.gz CVVJZVZWYOATCE-IUYQLWOBSA-N 0 3 383.446 4.345 40 0 GIABHN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(CC2CCCCC2)C1 ZINC000015674146 221338741 /nfs/dbraw/zinc/33/87/41/221338741.db2.gz FWUWDMPAAYQFAK-SJORKVTESA-N 0 3 395.425 4.443 40 0 biogenic,in-vitro GIABHN CC(C)(C)c1[nH]c2ncccc2c1CN1CCC(O)(c2ccccc2F)CC1 ZINC000019083445 221396558 /nfs/dbraw/zinc/39/65/58/221396558.db2.gz BFVLAQVRVAUSGZ-UHFFFAOYSA-N 0 3 381.495 4.483 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000044911864 221958550 /nfs/dbraw/zinc/95/85/50/221958550.db2.gz XKIUDYJZBJQIMJ-UHFFFAOYSA-N 0 3 380.488 4.022 40 0 GIABHN Cn1cc(CN2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cn1 ZINC000072349989 222236458 /nfs/dbraw/zinc/23/64/58/222236458.db2.gz YBNHBYYVIIZBEF-IBGZPJMESA-N 0 3 380.923 4.439 40 0 GIABHN CCc1ncc(CN2CCC[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000072350251 222236595 /nfs/dbraw/zinc/23/65/95/222236595.db2.gz RZAUYLRRJJOYJW-FQEVSTJZSA-N 0 3 388.515 4.489 40 0 GIABHN O=C(c1ccc(Cl)cc1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355073 222238984 /nfs/dbraw/zinc/23/89/84/222238984.db2.gz NBNKAJQNIJRXFX-GOSISDBHSA-N 0 3 397.950 4.294 40 0 GIABHN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052710 222374161 /nfs/dbraw/zinc/37/41/61/222374161.db2.gz FLNUUHCBDDQJTF-IBGZPJMESA-N 0 3 380.507 4.325 40 0 GIABHN COc1ccc2[nH]c([C@H]3CCN(Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000035446818 560079251 /nfs/dbraw/zinc/07/92/51/560079251.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 0 3 391.393 4.460 40 0 biogenic,in-vitro GIABHN Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(Cc2ccc(F)cc2)C1 ZINC000096244650 570224097 /nfs/dbraw/zinc/22/40/97/570224097.db2.gz FFQYJHNMSVHZMR-XMMPIXPASA-N 0 3 389.474 4.265 40 0 GIABHN Cc1ccccc1OC[C@@]1(O)COCCN([C@H]2CC[C@H](C(C)(C)C)CC2)C1 ZINC000585284884 570254429 /nfs/dbraw/zinc/25/44/29/570254429.db2.gz AMEUOGJLGCQYEC-JTAQYXEDSA-N 0 3 375.553 4.042 40 0 GIABHN CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585285968 570255092 /nfs/dbraw/zinc/25/50/92/570255092.db2.gz GAXRBSGJPHZOKG-BPXKWBHBSA-N 0 3 397.506 4.012 40 0 GIABHN CCOC(=O)c1ccc(-c2ccc(CN[C@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022076232 570320557 /nfs/dbraw/zinc/32/05/57/570320557.db2.gz ZIVQDTQJVZJMLV-OPAMFIHVSA-N 0 3 379.456 4.335 40 0 GIABHN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccncc3)N21 ZINC000222675598 570420192 /nfs/dbraw/zinc/42/01/92/570420192.db2.gz ZGSPHXYXFCIADS-UIAACRFSSA-N 0 3 375.501 4.247 40 0 GIABHN Cc1cccc(CSCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000222748457 570423758 /nfs/dbraw/zinc/42/37/58/570423758.db2.gz CQMFQKFUPPAJHU-UHFFFAOYSA-N 0 3 384.545 4.340 40 0 GIABHN COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCC4)cc3)s2)cc1 ZINC000223004344 570436728 /nfs/dbraw/zinc/43/67/28/570436728.db2.gz DFMUBVPYYGFEKC-UHFFFAOYSA-N 0 3 394.500 4.062 40 0 GIABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl ZINC000224147578 570500801 /nfs/dbraw/zinc/50/08/01/570500801.db2.gz IVRLFJPYSAMIHA-UHFFFAOYSA-N 0 3 386.923 4.443 40 0 GIABHN CCn1c(CNc2ccccc2Cl)nnc1SCCN1CCCCC1 ZINC000000900368 570514310 /nfs/dbraw/zinc/51/43/10/570514310.db2.gz WFBSIDQBGRZHMI-UHFFFAOYSA-N 0 3 379.961 4.142 40 0 GIABHN Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224832376 570533240 /nfs/dbraw/zinc/53/32/40/570533240.db2.gz NFGDCWCPVOZFTJ-HXUWFJFHSA-N 0 3 380.532 4.373 40 0 GIABHN Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 ZINC000224840454 570533311 /nfs/dbraw/zinc/53/33/11/570533311.db2.gz NOJPXPRYQRRYFV-HXUWFJFHSA-N 0 3 380.532 4.373 40 0 GIABHN O=C(Cc1ccc(-c2ccccc2)cc1)NCCCN1CCc2ccccc2C1 ZINC000224981728 570541554 /nfs/dbraw/zinc/54/15/54/570541554.db2.gz NHQPPTLFSJUFBC-UHFFFAOYSA-N 0 3 384.523 4.461 40 0 GIABHN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC)c(C)c1 ZINC000225016846 570543768 /nfs/dbraw/zinc/54/37/68/570543768.db2.gz WWEKGSCXPZHOEI-JOCHJYFZSA-N 0 3 380.532 4.483 40 0 GIABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c1 ZINC000100837907 570561291 /nfs/dbraw/zinc/56/12/91/570561291.db2.gz MIIQIGDVJVVLPG-BDTNDASRSA-N 0 3 384.435 4.046 40 0 GIABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000038834942 570586329 /nfs/dbraw/zinc/58/63/29/570586329.db2.gz FZJJVYJUEYRFGJ-INIZCTEOSA-N 0 3 388.895 4.208 40 0 GIABHN CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225606603 570593240 /nfs/dbraw/zinc/59/32/40/570593240.db2.gz DQOADUXGWNEWDM-QFIPXVFZSA-N 0 3 376.541 4.187 40 0 GIABHN Cc1c(Cl)cccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964149 570594693 /nfs/dbraw/zinc/59/46/93/570594693.db2.gz CXRSWWRTEFRHTK-SFHVURJKSA-N 0 3 394.862 4.077 40 0 GIABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCC1 ZINC000225654745 570598625 /nfs/dbraw/zinc/59/86/25/570598625.db2.gz QWYFLBUCVWIVFE-UHFFFAOYSA-N 0 3 388.552 4.475 40 0 GIABHN C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2[N@@H+]3Cc1ccccc1C(=O)[O-] ZINC000257207524 570761237 /nfs/dbraw/zinc/76/12/37/570761237.db2.gz BIDIFTAYEYNGJA-ACUMWEPGSA-N 0 3 390.527 4.101 40 0 GIABHN C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2[N@H+]3Cc1ccccc1C(=O)[O-] ZINC000257207524 570761238 /nfs/dbraw/zinc/76/12/38/570761238.db2.gz BIDIFTAYEYNGJA-ACUMWEPGSA-N 0 3 390.527 4.101 40 0 GIABHN O=C(c1ccccc1CN1CCCC1)N1C[C@@H]2[C@@H](Cc3ccccn3)CC[C@@H]2C1 ZINC000257237936 570767542 /nfs/dbraw/zinc/76/75/42/570767542.db2.gz HIXCEBWBVGMTQM-ZILOHOTNSA-N 0 3 389.543 4.018 40 0 GIABHN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cccs1 ZINC000257273278 570773859 /nfs/dbraw/zinc/77/38/59/570773859.db2.gz NFYDBZVRNGKMLL-FQEVSTJZSA-N 0 3 394.544 4.471 40 0 GIABHN Cc1ncsc1CN1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257298941 570778031 /nfs/dbraw/zinc/77/80/31/570778031.db2.gz RNZSKHAYSMSUFK-INIZCTEOSA-N 0 3 393.491 4.290 40 0 GIABHN Cc1cc(C)nc([N-]c2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)n1 ZINC000257298753 570778154 /nfs/dbraw/zinc/77/81/54/570778154.db2.gz RNDVLVUHOHHJST-UHFFFAOYSA-N 0 3 388.519 4.049 40 0 GIABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1 ZINC000257309267 570779334 /nfs/dbraw/zinc/77/93/34/570779334.db2.gz UAHHBSSBTHRDJH-UHFFFAOYSA-N 0 3 379.891 4.394 40 0 GIABHN Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)cc1 ZINC000257219849 570890095 /nfs/dbraw/zinc/89/00/95/570890095.db2.gz DILLVVLYHKUSGS-PQNGQFLHSA-N 0 3 379.548 4.158 40 0 GIABHN COCCn1cnc2c1C1(CCN(Cc3cccs3)CC1)Oc1ccccc1-2 ZINC000306131986 570940308 /nfs/dbraw/zinc/94/03/08/570940308.db2.gz KUZSQAHGWBEZHF-UHFFFAOYSA-N 0 3 395.528 4.142 40 0 GIABHN Fc1ccccc1-c1ccc2nnc(C3CCN(Cc4cccs4)CC3)n2n1 ZINC000306133822 570940875 /nfs/dbraw/zinc/94/08/75/570940875.db2.gz MXEHIJWKIGLBNW-UHFFFAOYSA-N 0 3 393.491 4.372 40 0 GIABHN COCCn1cnc2c1C1(CCN(Cc3ccsc3)CC1)Oc1ccccc1-2 ZINC000306133455 570940928 /nfs/dbraw/zinc/94/09/28/570940928.db2.gz MLYKKONBFOUYJG-UHFFFAOYSA-N 0 3 395.528 4.142 40 0 GIABHN Cc1ncsc1CN1CC[C@@]2(C1)CN(Cc1ccccc1)c1cccnc12 ZINC000306145130 570947096 /nfs/dbraw/zinc/94/70/96/570947096.db2.gz ZZCQSMHUTMFKFJ-JOCHJYFZSA-N 0 3 376.529 4.010 40 0 GIABHN COc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1CN1CCCC1 ZINC000019234514 570965017 /nfs/dbraw/zinc/96/50/17/570965017.db2.gz AYQRVNDPFXLKEY-UHFFFAOYSA-N 0 3 394.559 4.083 40 0 GIABHN O=C(C1CC1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H](c1ccccc1)O2 ZINC000019371693 570980947 /nfs/dbraw/zinc/98/09/47/570980947.db2.gz CRVLPGWQWPGBBZ-HSZRJFAPSA-N 0 3 390.527 4.031 40 0 GIABHN CCN1CCN(c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2)CC1 ZINC000011945995 818131481 /nfs/dbraw/zinc/13/14/81/818131481.db2.gz GVYDLXXOZDLHJS-UHFFFAOYSA-N 0 3 381.520 4.116 40 0 GIABHN Cc1ncc(CN2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)s1 ZINC000019704264 818600899 /nfs/dbraw/zinc/60/08/99/818600899.db2.gz IYLZDSPPHZGMSQ-AWEZNQCLSA-N 0 3 388.924 4.397 40 0 GIABHN CNc1cc(CN(C)Cc2ccc(-c3ccccc3)cc2)nc([C@@H]2CCCN2)n1 ZINC000019759812 818605058 /nfs/dbraw/zinc/60/50/58/818605058.db2.gz TZJWMVIPVWSXTI-QFIPXVFZSA-N 0 3 387.531 4.242 40 0 GIABHN COc1ccc2nc(CN3CC[C@@H](c4nc(-c5ccccc5)no4)C3)ccc2c1 ZINC000257217255 222755948 /nfs/dbraw/zinc/75/59/48/222755948.db2.gz CYFKEIMREGELDZ-GOSISDBHSA-N 0 3 386.455 4.283 40 0 GIABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCC[NH+](C)C)c1[O-])OC2(C)C ZINC000257268092 222766950 /nfs/dbraw/zinc/76/69/50/222766950.db2.gz MKEGFSACTCYBAA-KBAYOESNSA-N 0 3 388.552 4.155 40 0 GIABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306134198 222798610 /nfs/dbraw/zinc/79/86/10/222798610.db2.gz NFOUMMKKZDPRMK-FQEVSTJZSA-N 0 3 375.520 4.018 40 0 GIABHN Cc1ccsc1CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H](C)O ZINC000012116723 221151886 /nfs/dbraw/zinc/15/18/86/221151886.db2.gz XTJCWRKROHBKBG-CQSZACIVSA-N 0 3 375.925 4.483 40 0 GIABHN COCCn1cc(CN2CCC(O)(c3ccccc3C)CC2)c2ccccc21 ZINC000012118286 221153250 /nfs/dbraw/zinc/15/32/50/221153250.db2.gz WMKCBSAWZFXWLT-UHFFFAOYSA-N 0 3 378.516 4.080 40 0 GIABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292186 221175671 /nfs/dbraw/zinc/17/56/71/221175671.db2.gz NVSUEPUFZJBFGK-IBGZPJMESA-N 0 3 379.422 4.031 40 0 GIABHN COc1ccc(C2(O)CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012292280 221175725 /nfs/dbraw/zinc/17/57/25/221175725.db2.gz XHDIMGDNDJKRIS-QFIPXVFZSA-N 0 3 383.532 4.010 40 0 GIABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293572 221175833 /nfs/dbraw/zinc/17/58/33/221175833.db2.gz GOQSFCPKIPESES-PKTZIBPZSA-N 0 3 389.495 4.224 40 0 GIABHN CC(C)(C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012293558 221176415 /nfs/dbraw/zinc/17/64/15/221176415.db2.gz LPIHUACXSTZTJA-FGZHOGPDSA-N 0 3 395.543 4.368 40 0 GIABHN Cc1nccc(-c2ccc(-c3noc(CN4C[C@H]5CCCC[C@@H]5C4)n3)cc2)n1 ZINC000012337172 221182171 /nfs/dbraw/zinc/18/21/71/221182171.db2.gz BKXCANRFTVQIGA-RTBURBONSA-N 0 3 375.476 4.124 40 0 GIABHN CC(C)(C)C1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012326670 221182791 /nfs/dbraw/zinc/18/27/91/221182791.db2.gz AXUPRLXFRROECP-QFIPXVFZSA-N 0 3 384.564 4.167 40 0 GIABHN COc1ccccc1OCCN(C)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000012222421 221169580 /nfs/dbraw/zinc/16/95/80/221169580.db2.gz VUFZXVBIBUVMCZ-UHFFFAOYSA-N 0 3 377.444 4.342 40 0 GIABHN CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000012239713 221172234 /nfs/dbraw/zinc/17/22/34/221172234.db2.gz BPCOLHBZMVCFPA-GOSISDBHSA-N 0 3 385.577 4.268 40 0 GIABHN COc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(C)c1C ZINC000012668504 221218317 /nfs/dbraw/zinc/21/83/17/221218317.db2.gz XBEJJWRZFUULHJ-UHFFFAOYSA-N 0 3 378.476 4.137 40 0 GIABHN O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000013108955 221261616 /nfs/dbraw/zinc/26/16/16/221261616.db2.gz YNOKKGMRQZMPDA-UHFFFAOYSA-N 0 3 384.907 4.197 40 0 GIABHN O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(C2CCCCC2)C1 ZINC000015674244 221338879 /nfs/dbraw/zinc/33/88/79/221338879.db2.gz MFSPGDHTLRCGFM-ZBFHGGJFSA-N 0 3 397.397 4.076 40 0 biogenic,in-vitro GIABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000018089437 221386890 /nfs/dbraw/zinc/38/68/90/221386890.db2.gz BIBIMNXLUWFCTR-FHWLQOOXSA-N 0 3 384.863 4.065 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(Cc4cccc(F)c4)C3)cc2n1 ZINC000019117117 221396913 /nfs/dbraw/zinc/39/69/13/221396913.db2.gz VDJDQYVPBVCIKA-AWEZNQCLSA-N 0 3 378.373 4.185 40 0 GIABHN COc1ccc(CN(CCCO)Cc2c3cccnc3[nH]c2C(C)C)cc1OC ZINC000057763019 222036260 /nfs/dbraw/zinc/03/62/60/222036260.db2.gz DVPUTJYABCKTQA-UHFFFAOYSA-N 0 3 397.519 4.088 40 0 GIABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072345976 222232742 /nfs/dbraw/zinc/23/27/42/222232742.db2.gz IWVPEOKCDLJTRC-INIZCTEOSA-N 0 3 379.895 4.154 40 0 GIABHN Cn1cc(CN2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000072349987 222236763 /nfs/dbraw/zinc/23/67/63/222236763.db2.gz XBCOKMUKRJQMRP-LJQANCHMSA-N 0 3 380.923 4.439 40 0 GIABHN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000072354860 222237433 /nfs/dbraw/zinc/23/74/33/222237433.db2.gz XVKZLFBTYGTOJK-FQEVSTJZSA-N 0 3 396.441 4.220 40 0 GIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(Cc3ccnn3C)C2)n1 ZINC000072352028 222237477 /nfs/dbraw/zinc/23/74/77/222237477.db2.gz OLEXUAWVDRJHFW-QGZVFWFLSA-N 0 3 379.483 4.386 40 0 GIABHN COc1ccccc1-c1nccnc1[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000072358890 222239090 /nfs/dbraw/zinc/23/90/90/222239090.db2.gz RCGMAINBELRYLV-IBGZPJMESA-N 0 3 389.499 4.411 40 0 GIABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC000096047554 222374350 /nfs/dbraw/zinc/37/43/50/222374350.db2.gz AQZMXTOWEQYTGF-XMMPIXPASA-N 0 3 396.506 4.382 40 0 GIABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccccn1)CC2 ZINC000096052534 222374387 /nfs/dbraw/zinc/37/43/87/222374387.db2.gz DVPPHUYJCKYJGE-UHFFFAOYSA-N 0 3 383.495 4.162 40 0 GIABHN CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053143 222374804 /nfs/dbraw/zinc/37/48/04/222374804.db2.gz YJZINCUWBXYKKE-QGZVFWFLSA-N 0 3 384.545 4.127 40 0 GIABHN Fc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169749 560084152 /nfs/dbraw/zinc/08/41/52/560084152.db2.gz GDSVQDFFKGKNMF-INIZCTEOSA-N 0 3 376.435 4.270 40 0 biogenic,in-vitro GIABHN COc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169758 560084225 /nfs/dbraw/zinc/08/42/25/560084225.db2.gz ALMRKJISCFJBKX-KRWDZBQOSA-N 0 3 388.471 4.140 40 0 biogenic,in-vitro GIABHN O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000096625597 570231480 /nfs/dbraw/zinc/23/14/80/570231480.db2.gz PDWLYIOJNFNJML-UHFFFAOYSA-N 0 3 394.412 4.373 40 0 GIABHN O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096627725 570231544 /nfs/dbraw/zinc/23/15/44/570231544.db2.gz JQJNERCKHSFXES-IBGZPJMESA-N 0 3 381.495 4.277 40 0 GIABHN Cc1cc(OC[C@]2(O)CCCN(Cc3ccc(O)cc3)C2)cc(C)c1Cl ZINC000585272727 570242338 /nfs/dbraw/zinc/24/23/38/570242338.db2.gz JGONUXSLVRSJJS-NRFANRHFSA-N 0 3 375.896 4.068 40 0 GIABHN COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005478277 570255659 /nfs/dbraw/zinc/25/56/59/570255659.db2.gz IJTCPPUISHYVGE-WNSKOXEYSA-N 0 3 397.519 4.102 40 0 GIABHN O=C(C[C@H]1CCNC[C@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938977 570398479 /nfs/dbraw/zinc/39/84/79/570398479.db2.gz PHAQBQSJYZAIJZ-GDBMZVCRSA-N 0 3 391.487 4.027 40 0 GIABHN COC(=O)c1cn(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc12 ZINC000222640077 570418132 /nfs/dbraw/zinc/41/81/32/570418132.db2.gz HMUFFRSKKRBFAY-QGZVFWFLSA-N 0 3 394.446 4.119 40 0 GIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(F)c1)C2 ZINC000035289821 570455288 /nfs/dbraw/zinc/45/52/88/570455288.db2.gz UZWUFBOWNSSYPQ-SEJPIABJSA-N 0 3 382.479 4.150 40 0 GIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(OC)cc2)C3)cc1 ZINC000035289835 570455617 /nfs/dbraw/zinc/45/56/17/570455617.db2.gz XOWDABRQDALNQB-SEJPIABJSA-N 0 3 394.515 4.019 40 0 GIABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=S)NCc2ccco2)C3)cc1 ZINC000035291791 570460667 /nfs/dbraw/zinc/46/06/67/570460667.db2.gz YQTFZQJPDBNJHZ-IHWFROFDSA-N 0 3 383.561 4.138 40 0 GIABHN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840827 570533669 /nfs/dbraw/zinc/53/36/69/570533669.db2.gz NNQMBCPHAZJUPN-HSZRJFAPSA-N 0 3 380.532 4.455 40 0 GIABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714818 570608016 /nfs/dbraw/zinc/60/80/16/570608016.db2.gz NOOYQPZFNVJIFF-XXBNENTESA-N 0 3 388.552 4.475 40 0 GIABHN FC(F)(F)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225742568 570612129 /nfs/dbraw/zinc/61/21/29/570612129.db2.gz JEFZDJCGXXEHEY-UHFFFAOYSA-N 0 3 393.478 4.440 40 0 GIABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)nc3)CCCCC2)cc1 ZINC000225933210 570634568 /nfs/dbraw/zinc/63/45/68/570634568.db2.gz UXYXJVYREOJVBP-UHFFFAOYSA-N 0 3 381.520 4.171 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044911855 570642340 /nfs/dbraw/zinc/64/23/40/570642340.db2.gz SZHVBUKDGDPLCM-IBGZPJMESA-N 0 3 398.478 4.162 40 0 GIABHN CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000044911903 570642953 /nfs/dbraw/zinc/64/29/53/570642953.db2.gz QEHKHNKOOCYBNA-UHFFFAOYSA-N 0 3 398.478 4.162 40 0 GIABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000044936359 570644300 /nfs/dbraw/zinc/64/43/00/570644300.db2.gz DLRRHTBCERKYNK-QFIPXVFZSA-N 0 3 384.495 4.314 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000044938415 570644886 /nfs/dbraw/zinc/64/48/86/570644886.db2.gz MLRZJGBPCYQLMV-UHFFFAOYSA-N 0 3 391.515 4.298 40 0 GIABHN C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2[N@@H+]3Cc1ccccc1C(=O)[O-] ZINC000257207525 570761194 /nfs/dbraw/zinc/76/11/94/570761194.db2.gz BIDIFTAYEYNGJA-LYVDORBWSA-N 0 3 390.527 4.101 40 0 GIABHN C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2[N@H+]3Cc1ccccc1C(=O)[O-] ZINC000257207525 570761196 /nfs/dbraw/zinc/76/11/96/570761196.db2.gz BIDIFTAYEYNGJA-LYVDORBWSA-N 0 3 390.527 4.101 40 0 GIABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000013674609 570771750 /nfs/dbraw/zinc/77/17/50/570771750.db2.gz GAOOBGXLVBTDDL-INIZCTEOSA-N 0 3 393.380 4.067 40 0 GIABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncs1 ZINC000257265780 570772493 /nfs/dbraw/zinc/77/24/93/570772493.db2.gz MAFNSNXMKJMVFT-SLIDZQALSA-N 0 3 395.572 4.232 40 0 GIABHN CN1[C@@H]2CCCC[C@@H]3N(C(=O)c4cncs4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257265781 570772679 /nfs/dbraw/zinc/77/26/79/570772679.db2.gz MAFNSNXMKJMVFT-VQYHNWKHSA-N 0 3 395.572 4.232 40 0 GIABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3ccccn3)C2)n1 ZINC000257301161 570778291 /nfs/dbraw/zinc/77/82/91/570778291.db2.gz RXFVITPOGCNDLF-INIZCTEOSA-N 0 3 376.435 4.297 40 0 GIABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccccc2Cl)no1 ZINC000257312482 570779890 /nfs/dbraw/zinc/77/98/90/570779890.db2.gz UODOBFOBNJVLLV-COWZOJLOSA-N 0 3 399.922 4.472 40 0 GIABHN Cc1ccc(N2C(=N)SC(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000004539864 570913192 /nfs/dbraw/zinc/91/31/92/570913192.db2.gz YNUHLAVXVKSCMS-HNNXBMFYSA-N 0 3 375.291 4.383 40 0 GIABHN C[C@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103577 570929064 /nfs/dbraw/zinc/92/90/64/570929064.db2.gz DMRCQCJPAVDZMB-NMMYMHLASA-N 0 3 378.516 4.060 40 0 GIABHN Cc1ncc2c(n1)[C@]1(CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C1)COC2 ZINC000306135396 570941967 /nfs/dbraw/zinc/94/19/67/570941967.db2.gz OPUBZVXMKSBREC-QFIPXVFZSA-N 0 3 395.890 4.372 40 0 GIABHN COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C4CCC4)C3)nn2c1 ZINC000306136366 570942623 /nfs/dbraw/zinc/94/26/23/570942623.db2.gz PRJHNBLRWULAFM-INIZCTEOSA-N 0 3 380.467 4.276 40 0 GIABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306137501 570943105 /nfs/dbraw/zinc/94/31/05/570943105.db2.gz QXWWNPPJDBPOTN-NRFANRHFSA-N 0 3 399.498 4.180 40 0 GIABHN COc1ccc(CN2CC[C@@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)cc1OC ZINC000019212112 570960910 /nfs/dbraw/zinc/96/09/10/570960910.db2.gz IMKFNCKGSBDQNC-LJQANCHMSA-N 0 3 377.488 4.392 40 0 GIABHN NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019374146 570981579 /nfs/dbraw/zinc/98/15/79/570981579.db2.gz DURHKMYKZKNRDK-VWLOTQADSA-N 0 3 385.511 4.059 40 0 GIABHN CCN1CCN(Cc2ccccc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527761 570998052 /nfs/dbraw/zinc/99/80/52/570998052.db2.gz HCTGDHXYBQFLNH-DEOSSOPVSA-N 0 3 399.538 4.272 40 0 GIABHN COc1cccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c1 ZINC000019564646 571006810 /nfs/dbraw/zinc/00/68/10/571006810.db2.gz MLVVJFADVZUJJW-QHCPKHFHSA-N 0 3 394.515 4.003 40 0 GIABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019568920 571009218 /nfs/dbraw/zinc/00/92/18/571009218.db2.gz GCPGQYKPYDDFJR-CQSZACIVSA-N 0 3 376.382 4.325 40 0 GIABHN Cc1cc2[nH]c(CCC(=O)NCCc3nc4ccc(Cl)cc4[nH]3)nc2c(C)c1 ZINC000019568406 571009323 /nfs/dbraw/zinc/00/93/23/571009323.db2.gz KWEBDXRDJLJOKD-UHFFFAOYSA-N 0 3 395.894 4.001 40 0 GIABHN Cc1ccc(C(=O)N[C@@H](NC(=N)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003109667 817417622 /nfs/dbraw/zinc/41/76/22/817417622.db2.gz GLIVRLLPWIAMNT-MRXNPFEDSA-N 0 3 384.694 4.036 40 0 GIABHN CCN(C(C)=O)[C@H]1CN(Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703849 818600940 /nfs/dbraw/zinc/60/09/40/818600940.db2.gz OFAJAGLXPVRXKN-JOCHJYFZSA-N 0 3 394.563 4.077 40 0 GIABHN CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccccc2)c(Cl)c1 ZINC000001716760 212254264 /nfs/dbraw/zinc/25/42/64/212254264.db2.gz QAXPODLPPYVWCB-UHFFFAOYSA-N 0 3 383.927 4.091 40 0 GIABHN COc1ccc(CN(Cc2ccc3ncccc3c2)C[C@@H]2CCCO2)cc1OC ZINC000012118238 221153268 /nfs/dbraw/zinc/15/32/68/221153268.db2.gz XUDLKAIHVPRQCZ-NRFANRHFSA-N 0 3 392.499 4.433 40 0 GIABHN COc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)CCCC2 ZINC000012135145 221157272 /nfs/dbraw/zinc/15/72/72/221157272.db2.gz SREICTNIAPMCJA-OFFJZUQKSA-N 0 3 392.543 4.089 40 0 GIABHN Cc1cc(C[C@@H]2COC[C@H]2N(CCc2ccccc2)Cc2ccc(F)cc2)on1 ZINC000012366512 221184551 /nfs/dbraw/zinc/18/45/51/221184551.db2.gz AYDLVYFBARREFZ-ZJSXRUAMSA-N 0 3 394.490 4.425 40 0 GIABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012239761 221172401 /nfs/dbraw/zinc/17/24/01/221172401.db2.gz MCWAVATYKZWPLG-SFHVURJKSA-N 0 3 389.540 4.181 40 0 GIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000013787313 221289276 /nfs/dbraw/zinc/28/92/76/221289276.db2.gz HCYCUAOHHQFOOQ-FKBYEOEOSA-N 0 3 384.435 4.046 40 0 GIABHN Cc1cc(CN2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)oc1C ZINC000096242560 136185526 /nfs/dbraw/zinc/18/55/26/136185526.db2.gz DPPFCUTUAXZYII-UHFFFAOYSA-N 0 3 388.515 4.240 40 0 GIABHN COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCCN(C/C=C/c3ccco3)C1)CC2 ZINC000072342496 222231673 /nfs/dbraw/zinc/23/16/73/222231673.db2.gz FSMFKTXHTIZVEI-QEMYPZFLSA-N 0 3 396.531 4.394 40 0 GIABHN COc1ccc(CN2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072345902 222233319 /nfs/dbraw/zinc/23/33/19/222233319.db2.gz TZRIAGSSDBEOEM-SFHVURJKSA-N 0 3 392.478 4.253 40 0 GIABHN CN1CCC(Oc2ccc(CNC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000078578676 222296465 /nfs/dbraw/zinc/29/64/65/222296465.db2.gz DJHHKBVTPHPIEM-UHFFFAOYSA-N 0 3 380.532 4.387 40 0 GIABHN Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3cccs3)CC2)cc1 ZINC000096037078 222372670 /nfs/dbraw/zinc/37/26/70/222372670.db2.gz OLEICOMJWMMBNT-UHFFFAOYSA-N 0 3 392.572 4.357 40 0 GIABHN O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052768 222374685 /nfs/dbraw/zinc/37/46/85/222374685.db2.gz PZOYXRAWJLFDHG-FQEVSTJZSA-N 0 3 389.543 4.162 40 0 GIABHN COc1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cc1 ZINC000096038249 222375468 /nfs/dbraw/zinc/37/54/68/222375468.db2.gz LCOOKPIBMOGXNR-UHFFFAOYSA-N 0 3 399.498 4.180 40 0 GIABHN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CCCC2)CC[C@@]1(C)O ZINC000514290015 560030664 /nfs/dbraw/zinc/03/06/64/560030664.db2.gz UZPRWGCIQSVXOD-JAXLGGSGSA-N 0 3 392.609 4.357 40 0 biogenic,in-vitro GIABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c[nH]c3cccc1c23 ZINC000049171390 560084331 /nfs/dbraw/zinc/08/43/31/560084331.db2.gz NIQNTRSPPORWBS-SFTDATJTSA-N 0 3 379.479 4.225 40 0 biogenic,in-vitro GIABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936233 570322596 /nfs/dbraw/zinc/32/25/96/570322596.db2.gz ARYQIIRDHCXNGX-UGKGYDQZSA-N 0 3 384.495 4.314 40 0 GIABHN O=C(C[C@@H]1CCNC[C@H]1F)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938969 570398652 /nfs/dbraw/zinc/39/86/52/570398652.db2.gz DGEHNJCIHSVLCF-BPUDTRNYSA-N 0 3 376.475 4.383 40 0 GIABHN CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039762880 570446120 /nfs/dbraw/zinc/44/61/20/570446120.db2.gz OQNMNAUKMPXUDK-UHFFFAOYSA-N 0 3 394.559 4.355 40 0 GIABHN CCN(CC)C(COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 ZINC000005649710 570450308 /nfs/dbraw/zinc/45/03/08/570450308.db2.gz PVQIFGIKZVJZTB-UHFFFAOYSA-N 0 3 385.464 4.194 40 0 GIABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(NC(=S)Nc2ccccc2C)C3)cc1 ZINC000035291747 570460562 /nfs/dbraw/zinc/46/05/62/570460562.db2.gz NDJRDINZLOPMIJ-IHWFROFDSA-N 0 3 395.572 4.486 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)CC1 ZINC000224330979 570509441 /nfs/dbraw/zinc/50/94/41/570509441.db2.gz GJQDSCNCKRFGSE-UHFFFAOYSA-N 0 3 386.923 4.381 40 0 GIABHN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836781 570533283 /nfs/dbraw/zinc/53/32/83/570533283.db2.gz BPPDSOMBSPDVSZ-HSZRJFAPSA-N 0 3 380.532 4.455 40 0 GIABHN CCOc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225231474 570558055 /nfs/dbraw/zinc/55/80/55/570558055.db2.gz VXIUSSGUEWIHCR-UHFFFAOYSA-N 0 3 375.563 4.098 40 0 GIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cccn2-c2ccncc2)o1 ZINC000043277759 570626338 /nfs/dbraw/zinc/62/63/38/570626338.db2.gz NIFZQGSHQBWSBY-UHFFFAOYSA-N 0 3 375.476 4.063 40 0 GIABHN CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000044851429 570636297 /nfs/dbraw/zinc/63/62/97/570636297.db2.gz TVLHBXYYFMFJKS-UHFFFAOYSA-N 0 3 394.559 4.355 40 0 GIABHN CCOc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044919952 570643398 /nfs/dbraw/zinc/64/33/98/570643398.db2.gz CTYMRIQNGDGGKM-IBGZPJMESA-N 0 3 386.923 4.267 40 0 GIABHN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933143 570643865 /nfs/dbraw/zinc/64/38/65/570643865.db2.gz TULIAJBVIRCGBA-QFBILLFUSA-N 0 3 386.923 4.438 40 0 GIABHN Cc1cnc(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000257217574 570762215 /nfs/dbraw/zinc/76/22/15/570762215.db2.gz CZOBWDVHJYMQGI-MRXNPFEDSA-N 0 3 391.450 4.001 40 0 GIABHN Cc1nccc(CN2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)n1 ZINC000257271883 570773341 /nfs/dbraw/zinc/77/33/41/570773341.db2.gz NAEFWLOYXWUOFP-RBBKRZOGSA-N 0 3 393.531 4.316 40 0 GIABHN O=C1CCCC[C@]2(CN(Cc3ccc4[nH]ccc4c3)C[C@H]2c2cccc(F)c2)N1 ZINC000257277800 570774521 /nfs/dbraw/zinc/77/45/21/570774521.db2.gz NZKYMFWVYIVQBW-XUZZJYLKSA-N 0 3 391.490 4.335 40 0 GIABHN Cc1cccnc1CN1CCC2(CC(Nc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC000585103839 570929511 /nfs/dbraw/zinc/92/95/11/570929511.db2.gz RZISJPWOQMELJH-UHFFFAOYSA-N 0 3 391.441 4.056 40 0 GIABHN Cc1nc2c(n1C(C)C)CN(Cc1ccc(Cl)cc1)CC21CCN(C)CC1 ZINC000306128405 570938163 /nfs/dbraw/zinc/93/81/63/570938163.db2.gz GZMWINPATKJSHD-UHFFFAOYSA-N 0 3 386.971 4.405 40 0 GIABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccc(C)c4)cnc2CO3)cc1 ZINC000306128930 570938669 /nfs/dbraw/zinc/93/86/69/570938669.db2.gz HOPYPVHPRIRCPL-DEOSSOPVSA-N 0 3 389.499 4.042 40 0 GIABHN Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306130781 570939251 /nfs/dbraw/zinc/93/92/51/570939251.db2.gz JPFNYXZCDJTZJU-QHCPKHFHSA-N 0 3 377.463 4.173 40 0 GIABHN Cc1ccc(CN2CC[C@@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)s1 ZINC000306132723 570940275 /nfs/dbraw/zinc/94/02/75/570940275.db2.gz LQILQEPBYKZMOW-OAQYLSRUSA-N 0 3 395.553 4.317 40 0 GIABHN c1cc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306138227 570943276 /nfs/dbraw/zinc/94/32/76/570943276.db2.gz RSSGXEVUMGLWGY-IBGZPJMESA-N 0 3 375.501 4.232 40 0 GIABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306137502 570943292 /nfs/dbraw/zinc/94/32/92/570943292.db2.gz QXWWNPPJDBPOTN-OAQYLSRUSA-N 0 3 399.498 4.180 40 0 GIABHN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccc(C)s4)C2)OC3)cc1 ZINC000306138451 570943846 /nfs/dbraw/zinc/94/38/46/570943846.db2.gz RXUDDJMDCVYHNA-JOCHJYFZSA-N 0 3 395.528 4.104 40 0 GIABHN COc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)cc1 ZINC000306144155 570946583 /nfs/dbraw/zinc/94/65/83/570946583.db2.gz YXWUIISTLWHBKK-DEOSSOPVSA-N 0 3 389.499 4.042 40 0 GIABHN CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2Cc1cccc(C)n1 ZINC000019236302 570966238 /nfs/dbraw/zinc/96/62/38/570966238.db2.gz VHTRRBDEZNFZGO-WXFUMESZSA-N 0 3 377.532 4.149 40 0 GIABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1cscn1 ZINC000019332846 570975535 /nfs/dbraw/zinc/97/55/35/570975535.db2.gz QFVGLZNERSGVFW-UHFFFAOYSA-N 0 3 389.952 4.113 40 0 GIABHN COc1ccccc1CN1CCC([C@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019446706 570984202 /nfs/dbraw/zinc/98/42/02/570984202.db2.gz HDRWJRMWSHECFX-DEOSSOPVSA-N 0 3 395.547 4.206 40 0 GIABHN COc1ccccc1-c1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497386 570989974 /nfs/dbraw/zinc/98/99/74/570989974.db2.gz VCPMNXIKEUVYHL-PMACEKPBSA-N 0 3 394.559 4.436 40 0 GIABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCc3ccccc3Cl)cc12 ZINC000019565312 571007354 /nfs/dbraw/zinc/00/73/54/571007354.db2.gz QNZCAGQPWKBZHE-UHFFFAOYSA-N 0 3 392.890 4.008 40 0 GIABHN COC(=O)Cn1cc(CNC2(c3ccccc3OC)CCCC2)c2ccccc21 ZINC000019569195 571009224 /nfs/dbraw/zinc/00/92/24/571009224.db2.gz ONSWLLHGLZFCKK-UHFFFAOYSA-N 0 3 392.499 4.382 40 0 GIABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019568935 571009372 /nfs/dbraw/zinc/00/93/72/571009372.db2.gz SVNKSIKXPCARBP-AWEZNQCLSA-N 0 3 376.382 4.325 40 0 GIABHN COc1ccc(CN(CCN(C)C)Cc2cccs2)cc1Br ZINC000019582536 571013672 /nfs/dbraw/zinc/01/36/72/571013672.db2.gz JWBXJIJMJPFKFU-UHFFFAOYSA-N 0 3 383.355 4.083 40 0 GIABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cc(C2CC2)on1 ZINC000019590191 571017189 /nfs/dbraw/zinc/01/71/89/571017189.db2.gz UMTNRRLRPXBHBQ-SYYKKAFVSA-N 0 3 379.504 4.035 40 0 GIABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cc(-c3cncnc3)cc(C)n2)cc1 ZINC000019691051 571029160 /nfs/dbraw/zinc/02/91/60/571029160.db2.gz DGLGMSYSCOBRRX-QHCPKHFHSA-N 0 3 387.487 4.143 40 0 GIABHN O=C(CCc1ccc(Cl)cc1Cl)NCCCN1CCc2ccccc2C1 ZINC000225379135 231034335 /nfs/dbraw/zinc/03/43/35/231034335.db2.gz QVJYNODXMZULOW-UHFFFAOYSA-N 0 3 391.342 4.491 40 0 GIABHN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000010281899 221099958 /nfs/dbraw/zinc/09/99/58/221099958.db2.gz OQGBWPPGABATAM-QGZVFWFLSA-N 0 3 386.923 4.410 40 0 GIABHN Cc1ccc(C2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000012292780 221176019 /nfs/dbraw/zinc/17/60/19/221176019.db2.gz UGGHQJYCCJJCAM-UHFFFAOYSA-N 0 3 388.511 4.453 40 0 GIABHN Cc1ccnn1CCNCc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 ZINC000012337345 221183876 /nfs/dbraw/zinc/18/38/76/221183876.db2.gz TUQUKGCJSCYGMJ-UHFFFAOYSA-N 0 3 387.462 4.244 40 0 GIABHN Cc1noc(-c2cnc(NC3CCN(C(C)C)CC3)nc2-c2ccco2)c1C ZINC000012186823 221163945 /nfs/dbraw/zinc/16/39/45/221163945.db2.gz JZUWLPXFISTUNA-UHFFFAOYSA-N 0 3 381.480 4.293 40 0 GIABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000012239716 221171613 /nfs/dbraw/zinc/17/16/13/221171613.db2.gz XYXSWTGRILSBKP-IBGZPJMESA-N 0 3 385.577 4.268 40 0 GIABHN Cc1cc(C)n(-c2cccc(CN3CCC(O)(c4ccccc4F)CC3)c2)n1 ZINC000012240476 221171993 /nfs/dbraw/zinc/17/19/93/221171993.db2.gz LSQIFVPUWNFYGJ-UHFFFAOYSA-N 0 3 379.479 4.112 40 0 GIABHN CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)CC1 ZINC000012291316 221174242 /nfs/dbraw/zinc/17/42/42/221174242.db2.gz JSLHANLLQDHECK-QHCPKHFHSA-N 0 3 396.506 4.184 40 0 GIABHN Cc1cc2nc(C3CCN(Cc4ccc(O)cc4)CC3)cc(C(F)(F)F)n2n1 ZINC000013226845 221264274 /nfs/dbraw/zinc/26/42/74/221264274.db2.gz ASKPFNYZXQPNSG-UHFFFAOYSA-N 0 3 390.409 4.142 40 0 GIABHN O=S(=O)([N-]Cc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000015335988 221335294 /nfs/dbraw/zinc/33/52/94/221335294.db2.gz IKZFNVJCLCIZHW-UHFFFAOYSA-N 0 3 399.343 4.068 40 0 GIABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000018044978 221385654 /nfs/dbraw/zinc/38/56/54/221385654.db2.gz CGVSMVAPPLMWHE-BDTNDASRSA-N 0 3 386.451 4.318 40 0 GIABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019014401 221393422 /nfs/dbraw/zinc/39/34/22/221393422.db2.gz BDBIMRNMQQDODP-NFNYSAHWSA-N 0 3 387.478 4.084 40 0 GIABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019081873 221395864 /nfs/dbraw/zinc/39/58/64/221395864.db2.gz KRKFTHKVXUPRMG-WIYYLYMNSA-N 0 3 383.511 4.336 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c1 ZINC000044932213 221958623 /nfs/dbraw/zinc/95/86/23/221958623.db2.gz WCWRGHDSVPMQLE-UHFFFAOYSA-N 0 3 380.532 4.311 40 0 GIABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCCC2)cc1 ZINC000065735278 222135954 /nfs/dbraw/zinc/13/59/54/222135954.db2.gz FAOHDDDMVHQXCB-UHFFFAOYSA-N 0 3 396.531 4.476 40 0 GIABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccs2)C1 ZINC000072344790 222233785 /nfs/dbraw/zinc/23/37/85/222233785.db2.gz LJRHYITURAQAQH-SFHVURJKSA-N 0 3 394.544 4.123 40 0 GIABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc5ccccc5n4)C3)n2)c1 ZINC000072369891 222241479 /nfs/dbraw/zinc/24/14/79/222241479.db2.gz FRNUGLUWGZHCGL-GOSISDBHSA-N 0 3 386.455 4.283 40 0 GIABHN CCc1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)n1 ZINC000072379122 222245584 /nfs/dbraw/zinc/24/55/84/222245584.db2.gz KNBPVFLXYWMHFN-IBGZPJMESA-N 0 3 376.504 4.218 40 0 GIABHN CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096036979 222372374 /nfs/dbraw/zinc/37/23/74/222372374.db2.gz SKJCGQGJUXARHU-UHFFFAOYSA-N 0 3 378.545 4.048 40 0 GIABHN O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245468 570224209 /nfs/dbraw/zinc/22/42/09/570224209.db2.gz QMUVPSDUWGLZLP-HDICACEKSA-N 0 3 389.326 4.126 40 0 GIABHN COc1cccc2cc(C(=O)NCc3ccccc3CN3CCCCC3)oc21 ZINC000097255768 570240018 /nfs/dbraw/zinc/24/00/18/570240018.db2.gz BZMFODVAFIEDMI-UHFFFAOYSA-N 0 3 378.472 4.357 40 0 GIABHN CN1CCC(Oc2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)CC1 ZINC000222803992 570426755 /nfs/dbraw/zinc/42/67/55/570426755.db2.gz UMYGSIDNZAQWDJ-UHFFFAOYSA-N 0 3 396.531 4.475 40 0 GIABHN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222953748 570432900 /nfs/dbraw/zinc/43/29/00/570432900.db2.gz VJNNCOVPVGRPQM-UXHICEINSA-N 0 3 377.517 4.040 40 0 GIABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C ZINC000005572722 570446796 /nfs/dbraw/zinc/44/67/96/570446796.db2.gz OYTXCXGMLNKVGP-RUZDIDTESA-N 0 3 397.559 4.350 40 0 GIABHN CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837563 570533164 /nfs/dbraw/zinc/53/31/64/570533164.db2.gz PDCSQPYOUZBDOW-QHCPKHFHSA-N 0 3 396.531 4.155 40 0 GIABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C1CCCC1 ZINC000225008456 570543126 /nfs/dbraw/zinc/54/31/26/570543126.db2.gz UNDOXZXZNXCDMJ-NHCUHLMSSA-N 0 3 389.528 4.182 40 0 GIABHN Fc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1Cl ZINC000225230742 570558167 /nfs/dbraw/zinc/55/81/67/570558167.db2.gz JLUYCTCJWWJYML-UHFFFAOYSA-N 0 3 383.945 4.492 40 0 GIABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)c1 ZINC000038834636 570585923 /nfs/dbraw/zinc/58/59/23/570585923.db2.gz LLNYQYIQPIFVEO-MRXNPFEDSA-N 0 3 388.895 4.208 40 0 GIABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000039964157 570594483 /nfs/dbraw/zinc/59/44/83/570594483.db2.gz UCMSSBSHHPXORU-NRFANRHFSA-N 0 3 396.450 4.268 40 0 GIABHN CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225692702 570604222 /nfs/dbraw/zinc/60/42/22/570604222.db2.gz UVFBFMXAIXUDBA-JOCHJYFZSA-N 0 3 376.541 4.331 40 0 GIABHN CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225714904 570607867 /nfs/dbraw/zinc/60/78/67/570607867.db2.gz NOOYQPZFNVJIFF-WMZHIEFXSA-N 0 3 388.552 4.475 40 0 GIABHN CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225730278 570610247 /nfs/dbraw/zinc/61/02/47/570610247.db2.gz DBOSKRQTHVLREE-QFIPXVFZSA-N 0 3 376.541 4.331 40 0 GIABHN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225738452 570611386 /nfs/dbraw/zinc/61/13/86/570611386.db2.gz HZEDPYWWLXQQDQ-JOCHJYFZSA-N 0 3 376.541 4.475 40 0 GIABHN O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044906471 570641937 /nfs/dbraw/zinc/64/19/37/570641937.db2.gz BQSDCLTZGGACHC-IBGZPJMESA-N 0 3 388.914 4.440 40 0 GIABHN Cc1nc([C@@H]2CCCN(CC3CC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257260167 570771495 /nfs/dbraw/zinc/77/14/95/570771495.db2.gz LBPKZOKPJXOKEJ-GOSISDBHSA-N 0 3 396.510 4.003 40 0 GIABHN COc1ccccc1OCc1cc([C@H]2CCN(Cc3ccc(F)cc3)C2)n[nH]1 ZINC000257267975 570773069 /nfs/dbraw/zinc/77/30/69/570773069.db2.gz MJTDCZIJGFFTPQ-KRWDZBQOSA-N 0 3 381.451 4.126 40 0 GIABHN Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@H]2Cc1ccccc1 ZINC000257274530 570773833 /nfs/dbraw/zinc/77/38/33/570773833.db2.gz NLLXVQXQISMDPE-NABGWTBKSA-N 0 3 393.531 4.072 40 0 GIABHN Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C ZINC000257296007 570777407 /nfs/dbraw/zinc/77/74/07/570777407.db2.gz RAUUXGZCDOLNMC-XWQURZDVSA-N 0 3 395.572 4.130 40 0 GIABHN CCn1cc(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)c(C)n1 ZINC000257309506 570779341 /nfs/dbraw/zinc/77/93/41/570779341.db2.gz UBFFBBXYAYRFGK-UHFFFAOYSA-N 0 3 390.535 4.433 40 0 GIABHN Cc1nc(COCC[C@@H]2CCOC23CCN(Cc2cccs2)CC3)cs1 ZINC000585105211 570934517 /nfs/dbraw/zinc/93/45/17/570934517.db2.gz QICZQIKGJJCURX-QGZVFWFLSA-N 0 3 392.590 4.491 40 0 GIABHN Cn1cc2c(n1)C1(CCN(Cc3ccccc3)CC1)CN(Cc1cccs1)C2 ZINC000306130488 570939384 /nfs/dbraw/zinc/93/93/84/570939384.db2.gz JHUDNUOKRZIEGT-UHFFFAOYSA-N 0 3 392.572 4.031 40 0 GIABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135818 570942071 /nfs/dbraw/zinc/94/20/71/570942071.db2.gz PBWYXVGEWYJISM-QFIPXVFZSA-N 0 3 383.499 4.479 40 0 GIABHN COc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)cc1 ZINC000306144156 570946514 /nfs/dbraw/zinc/94/65/14/570946514.db2.gz YXWUIISTLWHBKK-XMMPIXPASA-N 0 3 389.499 4.042 40 0 GIABHN COc1ccc(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)cc1 ZINC000019217354 570962410 /nfs/dbraw/zinc/96/24/10/570962410.db2.gz SEWXAUZQBDLCHP-TZIWHRDSSA-N 0 3 384.545 4.297 40 0 GIABHN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(CC[C@H](C)c1ccccc1)C2 ZINC000019455716 570987128 /nfs/dbraw/zinc/98/71/28/570987128.db2.gz HFGXBFDUGQTWPA-MBSDFSHPSA-N 0 3 392.547 4.102 40 0 GIABHN Cc1ncsc1-c1nc(NC2CCN(C)CC2)ncc1-c1ccc(F)cc1 ZINC000019562378 571005892 /nfs/dbraw/zinc/00/58/92/571005892.db2.gz MEYBIJQYWCJUED-UHFFFAOYSA-N 0 3 383.496 4.221 40 0 GIABHN Cc1cc([C@H](O)CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000019567838 571008864 /nfs/dbraw/zinc/00/88/64/571008864.db2.gz ZPBVWWLJPIATIQ-GOSISDBHSA-N 0 3 399.478 4.401 40 0 GIABHN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019659063 571025027 /nfs/dbraw/zinc/02/50/27/571025027.db2.gz QNGWKNYKJHDECJ-OAQYLSRUSA-N 0 3 377.536 4.215 40 0 GIABHN Cc1noc(C)c1COc1ccc(CN2CCC(Cn3ccnc3C)CC2)cc1 ZINC000019715497 571037192 /nfs/dbraw/zinc/03/71/92/571037192.db2.gz IEWKAJUUZMXHCN-UHFFFAOYSA-N 0 3 394.519 4.288 40 0 GIABHN CC(C)Oc1ccc(CN2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702567 818600724 /nfs/dbraw/zinc/60/07/24/818600724.db2.gz BJZHYLHWVKQVBK-INIZCTEOSA-N 0 3 395.528 4.172 40 0 GIABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704375 818601522 /nfs/dbraw/zinc/60/15/22/818601522.db2.gz ONJMTGZHJOOONH-LJQANCHMSA-N 0 3 393.535 4.372 40 0 GIABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704376 818601807 /nfs/dbraw/zinc/60/18/07/818601807.db2.gz ONJMTGZHJOOONH-IBGZPJMESA-N 0 3 393.535 4.372 40 0 GIABHN CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225618620 222686570 /nfs/dbraw/zinc/68/65/70/222686570.db2.gz ZRAHWDNVMPWOAJ-QFIPXVFZSA-N 0 3 376.541 4.331 40 0 GIABHN Cn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2ccccc21 ZINC000257279793 222768574 /nfs/dbraw/zinc/76/85/74/222768574.db2.gz OIEXBUWMLIKTFZ-UHFFFAOYSA-N 0 3 398.514 4.487 40 0 GIABHN c1csc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306134000 222798958 /nfs/dbraw/zinc/79/89/58/222798958.db2.gz NBKZYTRYLIXLLK-SFHVURJKSA-N 0 3 375.501 4.232 40 0 GIABHN CCN(CC)CCOC(=O)C(O)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 ZINC000001768936 212256191 /nfs/dbraw/zinc/25/61/91/212256191.db2.gz FFHJBKPYWJQGBE-UHFFFAOYSA-N 0 3 383.532 4.041 40 0 GIABHN CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)CC1 ZINC000012291551 221175079 /nfs/dbraw/zinc/17/50/79/221175079.db2.gz ADWMWGGIFXIUCY-HSZRJFAPSA-N 0 3 396.506 4.184 40 0 GIABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012292267 221175551 /nfs/dbraw/zinc/17/55/51/221175551.db2.gz NFKJCWGYZJEMCH-OAQYLSRUSA-N 0 3 383.532 4.010 40 0 GIABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3Cc2cccc(OC(C)C)c2)cc1 ZINC000012293181 221175620 /nfs/dbraw/zinc/17/56/20/221175620.db2.gz KCTBQQXIRGFLJW-SVGJNIJCSA-N 0 3 381.516 4.497 40 0 GIABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293367 221175718 /nfs/dbraw/zinc/17/57/18/221175718.db2.gz MBPVCSLHIRXDDK-XZOQPEGZSA-N 0 3 389.495 4.224 40 0 GIABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329817 221182140 /nfs/dbraw/zinc/18/21/40/221182140.db2.gz PNAIPXYJYHICDW-PMACEKPBSA-N 0 3 387.907 4.033 40 0 GIABHN COc1cc(C)c(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC ZINC000012345416 221183467 /nfs/dbraw/zinc/18/34/67/221183467.db2.gz SCPIFXXNLRNOGF-NHJWOMDBSA-N 0 3 385.479 4.166 40 0 GIABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3Cc2cc(OC)c(OC)cc2C)cc1 ZINC000012345408 221183506 /nfs/dbraw/zinc/18/35/06/221183506.db2.gz NLTCMKPUGAGDDB-VXMMSVGHSA-N 0 3 397.515 4.035 40 0 GIABHN Cc1ccc(CN2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)s1 ZINC000012337938 221183857 /nfs/dbraw/zinc/18/38/57/221183857.db2.gz SBCPTDDOGUKMAT-UHFFFAOYSA-N 0 3 375.925 4.087 40 0 GIABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012344524 221183894 /nfs/dbraw/zinc/18/38/94/221183894.db2.gz TWRZVBODJPNKAR-UHFFFAOYSA-N 0 3 393.506 4.420 40 0 GIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3ncccc3c2)CC1 ZINC000012219478 221169253 /nfs/dbraw/zinc/16/92/53/221169253.db2.gz YURWOMKNUMAKDS-UHFFFAOYSA-N 0 3 377.463 4.001 40 0 GIABHN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(Cc4ccccc4F)C3)cc2n1 ZINC000019117142 221396165 /nfs/dbraw/zinc/39/61/65/221396165.db2.gz FBVVNIFPZQZTFR-CQSZACIVSA-N 0 3 378.373 4.185 40 0 GIABHN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000043744354 221950074 /nfs/dbraw/zinc/95/00/74/221950074.db2.gz NMJASIOPLDLLSA-KRWDZBQOSA-N 0 3 386.923 4.410 40 0 GIABHN COc1cc2c(cc1CN1CCC(c3cc4ncc(C)nc4[nH]3)CC1)CCC2 ZINC000057774893 222036653 /nfs/dbraw/zinc/03/66/53/222036653.db2.gz WYIXNUMXWRENRB-UHFFFAOYSA-N 0 3 376.504 4.143 40 0 GIABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330381 222228763 /nfs/dbraw/zinc/22/87/63/222228763.db2.gz OWBSAKCTQZGDKT-GBXCKJPGSA-N 0 3 395.547 4.206 40 0 GIABHN O=C(CN1CCCC1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349735 222236093 /nfs/dbraw/zinc/23/60/93/222236093.db2.gz WVVFYOQNDTVWCJ-UHFFFAOYSA-N 0 3 397.950 4.128 40 0 GIABHN CCc1nccn1-c1cccc([C@@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000072379223 222245306 /nfs/dbraw/zinc/24/53/06/222245306.db2.gz LAIIGWLQTUBAQA-FQEVSTJZSA-N 0 3 380.467 4.185 40 0 GIABHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccs1)CC2 ZINC000096037027 222373423 /nfs/dbraw/zinc/37/34/23/222373423.db2.gz KORGYXBRUXMIPX-UHFFFAOYSA-N 0 3 392.572 4.438 40 0 GIABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)s1 ZINC000096053156 222374692 /nfs/dbraw/zinc/37/46/92/222374692.db2.gz LFFIFESIRNWHAP-GOSISDBHSA-N 0 3 398.572 4.436 40 0 GIABHN COc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cc1 ZINC000096100274 222379762 /nfs/dbraw/zinc/37/97/62/222379762.db2.gz BRVHEBBFCGDFHL-QHCPKHFHSA-N 0 3 390.527 4.271 40 0 GIABHN O=C(c1ccccc1Br)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408605827 534748229 /nfs/dbraw/zinc/74/82/29/534748229.db2.gz GVSLXJQFBCTSEP-GOSISDBHSA-N 0 3 399.332 4.112 40 0 GIABHN CN(Cc1ccccc1)[C@@H]1CC[C@@H](N(Cc2ccccc2)CC(F)(F)F)[C@@H]1O ZINC000585261345 570228125 /nfs/dbraw/zinc/22/81/25/570228125.db2.gz XVVBPAKRDLVZCR-NJDAHSKKSA-N 0 3 392.465 4.075 40 0 GIABHN CCn1ncc(CN2CCC[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)c1C ZINC000585262718 570230078 /nfs/dbraw/zinc/23/00/78/570230078.db2.gz XSFJNBQLONPBKG-KRWDZBQOSA-N 0 3 396.564 4.495 40 0 GIABHN Cc1cc(OC[C@]2(O)COCCN([C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287544 570258635 /nfs/dbraw/zinc/25/86/35/570258635.db2.gz OEPPLCYXPUVWAI-DNVFCKCGSA-N 0 3 393.543 4.181 40 0 GIABHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022586039 570348317 /nfs/dbraw/zinc/34/83/17/570348317.db2.gz OKBOJMWPZWLTNW-UHFFFAOYSA-N 0 3 393.531 4.368 40 0 GIABHN COC(=O)c1cn(C(=O)C2CCN(Cc3ccccc3C)CC2)c2ccccc12 ZINC000222624712 570417332 /nfs/dbraw/zinc/41/73/32/570417332.db2.gz XTBGOGDYNKQSNJ-UHFFFAOYSA-N 0 3 390.483 4.289 40 0 GIABHN COC(=O)c1cn(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc12 ZINC000222640147 570418275 /nfs/dbraw/zinc/41/82/75/570418275.db2.gz HMUFFRSKKRBFAY-KRWDZBQOSA-N 0 3 394.446 4.119 40 0 GIABHN CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039750321 570447417 /nfs/dbraw/zinc/44/74/17/570447417.db2.gz QJZZUCRHOSZOSR-UHFFFAOYSA-N 0 3 398.522 4.185 40 0 GIABHN COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2OC)cc1 ZINC000035289814 570455466 /nfs/dbraw/zinc/45/54/66/570455466.db2.gz IXFVKFLUZIIHDJ-SEJPIABJSA-N 0 3 394.515 4.019 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000223874755 570488507 /nfs/dbraw/zinc/48/85/07/570488507.db2.gz GHEFOHPAGDXDED-UHFFFAOYSA-N 0 3 392.528 4.364 40 0 GIABHN CCOc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1Cl ZINC000224419963 570512789 /nfs/dbraw/zinc/51/27/89/570512789.db2.gz CGRFZANVVJVIPH-UHFFFAOYSA-N 0 3 388.895 4.464 40 0 GIABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837519 570533187 /nfs/dbraw/zinc/53/31/87/570533187.db2.gz PDCSQPYOUZBDOW-HSZRJFAPSA-N 0 3 396.531 4.155 40 0 GIABHN Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224840344 570533423 /nfs/dbraw/zinc/53/34/23/570533423.db2.gz RTQYKOXPGJQMAE-HXUWFJFHSA-N 0 3 380.532 4.373 40 0 GIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1 ZINC000224926372 570538143 /nfs/dbraw/zinc/53/81/43/570538143.db2.gz MBGTZCKMNAUDLH-UHFFFAOYSA-N 0 3 377.532 4.446 40 0 GIABHN CC1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000038851377 570587822 /nfs/dbraw/zinc/58/78/22/570587822.db2.gz CMALRZIDMSPPBM-UHFFFAOYSA-N 0 3 395.522 4.020 40 0 GIABHN COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C ZINC000038858234 570588265 /nfs/dbraw/zinc/58/82/65/570588265.db2.gz WPDKWRDFVACFTC-UHFFFAOYSA-N 0 3 380.488 4.266 40 0 GIABHN CO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225635350 570596870 /nfs/dbraw/zinc/59/68/70/570596870.db2.gz CBQJPURPEFSDTG-XXBNENTESA-N 0 3 388.552 4.331 40 0 GIABHN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225698898 570604979 /nfs/dbraw/zinc/60/49/79/570604979.db2.gz ZQQKSBLKFARXBS-JOCHJYFZSA-N 0 3 376.541 4.475 40 0 GIABHN Fc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000225743110 570612148 /nfs/dbraw/zinc/61/21/48/570612148.db2.gz JMCOFBNPHQZZFI-UHFFFAOYSA-N 0 3 377.916 4.214 40 0 GIABHN COc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1OC ZINC000044851784 570636131 /nfs/dbraw/zinc/63/61/31/570636131.db2.gz MYEQGTHFEAHMEI-UHFFFAOYSA-N 0 3 396.531 4.052 40 0 GIABHN COc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000004856805 570638279 /nfs/dbraw/zinc/63/82/79/570638279.db2.gz QVUPVVNKXXIZMP-IHWFROFDSA-N 0 3 399.535 4.316 40 0 GIABHN Cc1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044908819 570642132 /nfs/dbraw/zinc/64/21/32/570642132.db2.gz VNNYBRXSIKTEHM-LJQANCHMSA-N 0 3 386.923 4.056 40 0 GIABHN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044932201 570643810 /nfs/dbraw/zinc/64/38/10/570643810.db2.gz MUZWYZKSDJSWSA-HXUWFJFHSA-N 0 3 384.495 4.141 40 0 GIABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000260930910 570715142 /nfs/dbraw/zinc/71/51/42/570715142.db2.gz LBFDOQJIMSJJSD-VGSWGCGISA-N 0 3 380.507 4.404 40 0 GIABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2cccc(Oc3ccccc3)c2)C1 ZINC000255990714 570757667 /nfs/dbraw/zinc/75/76/67/570757667.db2.gz NSQRQRJDMLTDCH-WIYYLYMNSA-N 0 3 397.519 4.078 40 0 GIABHN COc1ccc2nc(CN3CC[C@H](c4nc(-c5ccccc5)no4)C3)ccc2c1 ZINC000257217256 570762181 /nfs/dbraw/zinc/76/21/81/570762181.db2.gz CYFKEIMREGELDZ-SFHVURJKSA-N 0 3 386.455 4.283 40 0 GIABHN Cc1c(CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)cnn1C ZINC000257240038 570767757 /nfs/dbraw/zinc/76/77/57/570767757.db2.gz HRTRWBQHVKRTDI-UHFFFAOYSA-N 0 3 394.498 4.089 40 0 GIABHN CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000013671634 570770739 /nfs/dbraw/zinc/77/07/39/570770739.db2.gz SRUDBZMACKSUMF-UHFFFAOYSA-N 0 3 380.532 4.434 40 0 GIABHN COc1cc(C)ccc1CN1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257284415 570775477 /nfs/dbraw/zinc/77/54/77/570775477.db2.gz PCPUHFZJDXJOIB-UHFFFAOYSA-N 0 3 389.503 4.312 40 0 GIABHN CCn1cc(CN2CC[C@@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cn1 ZINC000257320290 570780848 /nfs/dbraw/zinc/78/08/48/570780848.db2.gz VWBPCZQSGKVHJP-LJQANCHMSA-N 0 3 391.519 4.348 40 0 GIABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)no3)C2)c1 ZINC000257341530 570784380 /nfs/dbraw/zinc/78/43/80/570784380.db2.gz ZKSWTJCUWKSOQH-SFHVURJKSA-N 0 3 397.519 4.125 40 0 GIABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010333370 570788277 /nfs/dbraw/zinc/78/82/77/570788277.db2.gz NICMHMPKJFSBCD-SFHVURJKSA-N 0 3 393.531 4.453 40 0 GIABHN O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 ZINC000019405279 570983361 /nfs/dbraw/zinc/98/33/61/570983361.db2.gz SZXGJIWYRCMDPZ-FKBYEOEOSA-N 0 3 395.572 4.150 40 0 GIABHN CC(C)c1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)[nH]n1 ZINC000019451851 570985473 /nfs/dbraw/zinc/98/54/73/570985473.db2.gz UTNYBZZSXBZARF-BWAGFHJFSA-N 0 3 398.526 4.155 40 0 GIABHN COc1cc(C)c(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019566944 571008306 /nfs/dbraw/zinc/00/83/06/571008306.db2.gz OCPJBNNQDBDBKP-QFIPXVFZSA-N 0 3 394.563 4.126 40 0 GIABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019568932 571009272 /nfs/dbraw/zinc/00/92/72/571009272.db2.gz SVNKSIKXPCARBP-CQSZACIVSA-N 0 3 376.382 4.325 40 0 GIABHN Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019580714 571013114 /nfs/dbraw/zinc/01/31/14/571013114.db2.gz KWFQCOFYTWRTPL-CQOQZXRMSA-N 0 3 395.547 4.093 40 0 GIABHN CN(C)c1cc([C@@H]2CCCN(Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019584441 571015268 /nfs/dbraw/zinc/01/52/68/571015268.db2.gz DCWJISNMXNKVGS-LJQANCHMSA-N 0 3 391.494 4.123 40 0 GIABHN CN1CCc2nc(C3CCN(Cc4cccc(Cl)c4Cl)CC3)ncc2C1 ZINC000019590719 571018748 /nfs/dbraw/zinc/01/87/48/571018748.db2.gz ODSPOJSZPXADPW-UHFFFAOYSA-N 0 3 391.346 4.151 40 0 GIABHN O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1CN1CCCCC1 ZINC000019654721 571022840 /nfs/dbraw/zinc/02/28/40/571022840.db2.gz ITOVDCYRIRDCBC-UHFFFAOYSA-N 0 3 378.501 4.443 40 0 GIABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cc(-c3cncnc3)cc(C)n2)cc1 ZINC000019691049 571029097 /nfs/dbraw/zinc/02/90/97/571029097.db2.gz DGLGMSYSCOBRRX-HSZRJFAPSA-N 0 3 387.487 4.143 40 0 GIABHN