smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1 ZINC000001033582 194006504 /nfs/dbraw/zinc/00/65/04/194006504.db2.gz ASMNIDORQILGQG-UHFFFAOYSA-N 0 1 465.457 4.557 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001033573 194006599 /nfs/dbraw/zinc/00/65/99/194006599.db2.gz XIXWWOMMVVEKSM-UHFFFAOYSA-N 0 1 453.568 4.836 50 0 JJAAMN COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000001072775 194016620 /nfs/dbraw/zinc/01/66/20/194016620.db2.gz VWYHVHCGMNKYCF-UHFFFAOYSA-N 0 1 472.950 4.797 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2Cl)cc1 ZINC000003345320 194292572 /nfs/dbraw/zinc/29/25/72/194292572.db2.gz BWQGHNWLPIBSMC-UHFFFAOYSA-N 0 1 470.978 4.738 50 0 JJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)n1 ZINC000003442216 194325735 /nfs/dbraw/zinc/32/57/35/194325735.db2.gz JAXZLFGEJCYNGU-UHFFFAOYSA-N 0 1 459.984 4.603 50 0 JJAAMN Cc1cccc(N2CCN(C(=S)Nc3ccc4nc(N5CCN(C)CC5)cc(C)c4c3)C[C@H]2C)c1 ZINC000004791542 194399715 /nfs/dbraw/zinc/39/97/15/194399715.db2.gz LMOVQMOCYLFXKH-JOCHJYFZSA-N 0 1 488.705 4.511 50 0 JJAAMN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3N3CCN(C)CC3)[C@@H]2c2ccccc2)cc1 ZINC000009672462 194877552 /nfs/dbraw/zinc/87/75/52/194877552.db2.gz BNCMBOXWQNDJDK-IRPSRAIASA-N 0 1 498.627 4.570 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000009789406 194965302 /nfs/dbraw/zinc/96/53/02/194965302.db2.gz QKOKEEIVZLVFDX-KRWDZBQOSA-N 0 1 487.585 4.702 50 0 JJAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1)C(=O)Nc1ccccc1F ZINC000009909041 195019962 /nfs/dbraw/zinc/01/99/62/195019962.db2.gz ZNWWEKKHGMJCEQ-LJQANCHMSA-N 0 1 489.594 4.787 50 0 JJAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009910872 195021614 /nfs/dbraw/zinc/02/16/14/195021614.db2.gz LCOZJIFROSAGEX-UHFFFAOYSA-N 0 1 476.024 4.866 50 0 JJAAMN Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@H](c4ccco4)N4CCCCC4)c(=O)c23)cc1 ZINC000009913294 195022353 /nfs/dbraw/zinc/02/23/53/195022353.db2.gz SRMPFMFGUGIILS-JOCHJYFZSA-N 0 1 490.629 4.760 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009873190 195007237 /nfs/dbraw/zinc/00/72/37/195007237.db2.gz SWBGRPDWUJLHRZ-UHFFFAOYSA-N 0 1 494.598 4.639 50 0 JJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009875064 195008077 /nfs/dbraw/zinc/00/80/77/195008077.db2.gz FPWDNHOTXIIOOJ-HSZRJFAPSA-N 0 1 455.002 4.537 50 0 JJAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nc1Cc1ccccc1 ZINC000009946765 195030786 /nfs/dbraw/zinc/03/07/86/195030786.db2.gz XSRRXHCJZHIXJX-LJQANCHMSA-N 0 1 498.674 4.603 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccs3)c3ccc(OC)cc3)n2)cc1 ZINC000009950229 195033058 /nfs/dbraw/zinc/03/30/58/195033058.db2.gz UFHUJINKZIHFIA-UHFFFAOYSA-N 0 1 466.588 4.876 50 0 JJAAMN CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)ccc1OC(F)F ZINC000009957332 195037154 /nfs/dbraw/zinc/03/71/54/195037154.db2.gz IZTDQLYHCCKQEU-UHFFFAOYSA-N 0 1 492.500 4.748 50 0 JJAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000012649134 195075304 /nfs/dbraw/zinc/07/53/04/195075304.db2.gz LWJAPNNQCBUQII-CABCVRRESA-N 0 1 499.416 4.598 50 0 JJAAMN COc1ccc(CN(CC(=O)NCc2ccc(OC)c(OC)c2)[C@@H](C)Cc2cccs2)cc1 ZINC000012768188 195115692 /nfs/dbraw/zinc/11/56/92/195115692.db2.gz XTIPOXSCHQGXIH-IBGZPJMESA-N 0 1 468.619 4.524 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4oc(C)nc4c3)ccc2Cl)cc1 ZINC000012790488 195131494 /nfs/dbraw/zinc/13/14/94/195131494.db2.gz MECINBUNTFIAIN-UHFFFAOYSA-N 0 1 471.922 4.851 50 0 JJAAMN c1ccc(SCc2nc3sc4c(c3c(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)n2)CCC4)cc1 ZINC000012894224 195174604 /nfs/dbraw/zinc/17/46/04/195174604.db2.gz AWXMUJFNNCJKCY-WIYYLYMNSA-N 0 1 496.702 4.622 50 0 JJAAMN CCN1CCN(Cc2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3n2C(C)C)CC1 ZINC000020608859 195182272 /nfs/dbraw/zinc/18/22/72/195182272.db2.gz WXGFWUQAVYSUDA-UHFFFAOYSA-N 0 1 484.044 4.734 50 0 JJAAMN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000020904350 195244376 /nfs/dbraw/zinc/24/43/76/195244376.db2.gz FOCFZJIGBFDPMI-KAYWLYCHSA-N 0 1 487.669 4.859 50 0 JJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000021095853 195275405 /nfs/dbraw/zinc/27/54/05/195275405.db2.gz KMVMYBWFSLRTQC-UHFFFAOYSA-N 0 1 475.814 4.907 50 0 JJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000021367931 195300097 /nfs/dbraw/zinc/30/00/97/195300097.db2.gz PSFGQFXWDLOIRE-LJQANCHMSA-N 0 1 467.953 4.561 50 0 JJAAMN Cc1cccc(CN2CC=C(c3noc(CCC(=O)N4CCN(c5cccc(C)c5C)CC4)n3)CC2)c1 ZINC000021944978 195340194 /nfs/dbraw/zinc/34/01/94/195340194.db2.gz ZOSMXQGJVKWFGO-UHFFFAOYSA-N 0 1 499.659 4.566 50 0 JJAAMN Cc1ccccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccc(Cl)cc1)n(C)c(=O)n2C ZINC000064580874 195445740 /nfs/dbraw/zinc/44/57/40/195445740.db2.gz NCNUIMHYQYMOKN-UHFFFAOYSA-N 0 1 474.007 4.791 50 0 JJAAMN Cc1ccc(OCCN2CCN(c3nc4ccccc4c(NCc4ccccc4)n3)CC2)cc1 ZINC000096503694 130111487 /nfs/dbraw/zinc/11/14/87/130111487.db2.gz WVKMVDQBWQQFOI-UHFFFAOYSA-N 0 1 453.590 4.751 50 0 JJAAMN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036309760 519636002 /nfs/dbraw/zinc/63/60/02/519636002.db2.gz WLYHIYICMQQRGF-OZXSUGGESA-N 0 1 496.648 4.706 50 0 JJAAMN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)Cc1ccccc1 ZINC000036161462 519652353 /nfs/dbraw/zinc/65/23/53/519652353.db2.gz LYGLZGJXFZAWCO-UYAOXDASSA-N 0 1 453.652 4.561 50 0 JJAAMN CC(C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cn2)cc1 ZINC000033139456 519717700 /nfs/dbraw/zinc/71/77/00/519717700.db2.gz SLIPCFMNARMFTE-UHFFFAOYSA-N 0 1 490.379 4.575 50 0 JJAAMN CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014748909 519719500 /nfs/dbraw/zinc/71/95/00/519719500.db2.gz ABWWEGZTZTWLLT-UHFFFAOYSA-N 0 1 458.606 4.665 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308298 519771563 /nfs/dbraw/zinc/77/15/63/519771563.db2.gz RSYVSFBVHDATSC-ZCYQVOJMSA-N 0 1 479.621 4.646 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146073 519771583 /nfs/dbraw/zinc/77/15/83/519771583.db2.gz ZTJDULXERPKFLT-PMACEKPBSA-N 0 1 451.394 4.775 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146033 519773867 /nfs/dbraw/zinc/77/38/67/519773867.db2.gz PBUHDAYBEHVKPZ-UXHICEINSA-N 0 1 451.394 4.775 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307233 519773913 /nfs/dbraw/zinc/77/39/13/519773913.db2.gz ZOVBCGWOCXYJEF-NOZRDPDXSA-N 0 1 497.611 4.785 50 0 JJAAMN CC(C)c1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012218745 519830631 /nfs/dbraw/zinc/83/06/31/519830631.db2.gz ISYZDPJTCIGUMB-OAQYLSRUSA-N 0 1 484.579 4.596 50 0 JJAAMN CCCCC(=O)Nc1ccc2nc(N3CC[NH+](Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260693 519915167 /nfs/dbraw/zinc/91/51/67/519915167.db2.gz NWIGICAVWMTMLD-UHFFFAOYSA-N 0 1 464.541 4.523 50 0 JJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1OCC ZINC000008606670 520434307 /nfs/dbraw/zinc/43/43/07/520434307.db2.gz IAECZOWZBBVLBW-SANMLTNESA-N 0 1 479.577 4.942 50 0 JJAAMN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000016750823 520547653 /nfs/dbraw/zinc/54/76/53/520547653.db2.gz OPAZNQUUPVQCJX-UHFFFAOYSA-N 0 1 497.960 4.852 50 0 JJAAMN CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014994850 520588750 /nfs/dbraw/zinc/58/87/50/520588750.db2.gz KPUUVCLHLYAKCD-RPBOFIJWSA-N 0 1 470.997 4.589 50 0 JJAAMN CCOc1ccc(-c2csc3c2nc(N2CCN(Cc4ccccc4)CC2)[nH]c3=O)cc1OCC ZINC000048989268 520814020 /nfs/dbraw/zinc/81/40/20/520814020.db2.gz GRJPKGIOLRRAPK-UHFFFAOYSA-N 0 1 490.629 4.771 50 0 JJAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000033428972 520895442 /nfs/dbraw/zinc/89/54/42/520895442.db2.gz CGWGCMAVZSROKA-XRKRLSELSA-N 0 1 450.586 4.651 50 0 JJAAMN CCOc1ccc(CNC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033278802 520986021 /nfs/dbraw/zinc/98/60/21/520986021.db2.gz LFHXRWPKHKMYAU-UHFFFAOYSA-N 0 1 487.604 4.638 50 0 JJAAMN CCOc1ccc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129368 521076409 /nfs/dbraw/zinc/07/64/09/521076409.db2.gz AIHZIHFKXHFYND-UHFFFAOYSA-N 0 1 473.577 4.961 50 0 JJAAMN CCOc1ccc(NC(=O)Cn2cc(-c3nnc(CN4CCCCC4)o3)c3ccccc32)cc1 ZINC000033278781 521076438 /nfs/dbraw/zinc/07/64/38/521076438.db2.gz CWKYSEAOQLYQIR-UHFFFAOYSA-N 0 1 459.550 4.715 50 0 JJAAMN CCCc1cc(Sc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2)n2ncnc2n1 ZINC000033276032 521386406 /nfs/dbraw/zinc/38/64/06/521386406.db2.gz IPMXUCVZAXAMIW-UHFFFAOYSA-N 0 1 490.010 4.691 50 0 JJAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000001385661 521547782 /nfs/dbraw/zinc/54/77/82/521547782.db2.gz UBWCIGUBWUCFFY-UHFFFAOYSA-N 0 1 473.860 4.522 50 0 JJAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)CC)cc1 ZINC000033297946 521554634 /nfs/dbraw/zinc/55/46/34/521554634.db2.gz AQPICZMOEHBQON-QINSGFPZSA-N 0 1 455.536 4.701 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036302826 521680221 /nfs/dbraw/zinc/68/02/21/521680221.db2.gz MVGRUZNVCYTVTA-QFIPXVFZSA-N 0 1 467.610 4.845 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036303386 521680626 /nfs/dbraw/zinc/68/06/26/521680626.db2.gz OZBRFWWTUKXIOF-QFIPXVFZSA-N 0 1 497.636 4.854 50 0 JJAAMN CCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068987 521681787 /nfs/dbraw/zinc/68/17/87/521681787.db2.gz YLPLNVDANOVAMW-UHFFFAOYSA-N 0 1 479.602 4.861 50 0 JJAAMN CCN1CCN(c2nc(SCc3cccc(C(=O)Nc4ccc(F)cc4)c3)nc(C)c2C)CC1 ZINC000036062962 521701025 /nfs/dbraw/zinc/70/10/25/521701025.db2.gz IMQWTEAZEZVTGH-UHFFFAOYSA-N 0 1 479.625 4.919 50 0 JJAAMN COc1ccc(-c2csc(NC(=O)CSc3nc(Cc4ccc(O)cc4)c(C)[nH]3)n2)cc1 ZINC000012372051 523166668 /nfs/dbraw/zinc/16/66/68/523166668.db2.gz NTUQFLYWOZLWKA-UHFFFAOYSA-N 0 1 466.588 4.877 50 0 JJAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008606537 523292873 /nfs/dbraw/zinc/29/28/73/523292873.db2.gz AJUZZSNPYDNRNL-HHHXNRCGSA-N 0 1 469.541 4.943 50 0 aggregator JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COC(C)C ZINC000036304953 523734788 /nfs/dbraw/zinc/73/47/88/523734788.db2.gz UFNSEYAARKUABD-NRFANRHFSA-N 0 1 488.028 4.767 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000008606558 523947692 /nfs/dbraw/zinc/94/76/92/523947692.db2.gz QTQQFNCGFJMQGI-SANMLTNESA-N 0 1 455.514 4.587 50 0 aggregator JJAAMN CCc1cccc(C)c1NS(=O)(=O)c1c2oc(C(=O)N3CCOCC3)c(C)c2cc(C)c1C ZINC000065010826 524066214 /nfs/dbraw/zinc/06/62/14/524066214.db2.gz ODLDDQQNKVAERR-UHFFFAOYSA-N 0 1 470.591 4.502 50 0 JJAAMN Cc1cccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4cc(Cl)ccc4C)n3)n2)c1 ZINC000033270820 524114571 /nfs/dbraw/zinc/11/45/71/524114571.db2.gz IOSXMESLJIAZRU-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc(-c4ccccc4Cl)n[nH]3)no2)c1 ZINC000033270835 524134762 /nfs/dbraw/zinc/13/47/62/524134762.db2.gz MTBZCZWPLBRYSW-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN COc1cccc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000006146754 524264189 /nfs/dbraw/zinc/26/41/89/524264189.db2.gz XKXYOTJQQDTLLP-UHFFFAOYSA-N 0 1 453.545 4.666 50 0 JJAAMN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc(-c3ccccc3Cl)n[nH]2)no1 ZINC000033270832 524271356 /nfs/dbraw/zinc/27/13/56/524271356.db2.gz QFJREGDIJOXUEL-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN C[C@H]1CCc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1 ZINC000022799237 524442577 /nfs/dbraw/zinc/44/25/77/524442577.db2.gz FGFIICWMBVSEEM-FQEVSTJZSA-N 0 1 460.647 4.614 50 0 JJAAMN COc1ccc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1OC ZINC000033129352 524529743 /nfs/dbraw/zinc/52/97/43/524529743.db2.gz IOLOLHSHTIGNMQ-UHFFFAOYSA-N 0 1 489.576 4.579 50 0 JJAAMN Cc1cccc(N2C(=O)NC(=O)[C@@](CCc3ccncc3)(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000016293267 524533589 /nfs/dbraw/zinc/53/35/89/524533589.db2.gz XFHDVVWNUSTHRL-MUUNZHRXSA-N 0 1 455.558 4.958 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1C ZINC000064988044 524641391 /nfs/dbraw/zinc/64/13/91/524641391.db2.gz MDNDPKGECJDOGQ-UHFFFAOYSA-N 0 1 481.530 4.539 50 0 JJAAMN COc1ccccc1Oc1c(CN(C[C@H](O)COC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305829 524695598 /nfs/dbraw/zinc/69/55/98/524695598.db2.gz OSMJARFQOUIRQG-QFIPXVFZSA-N 0 1 465.594 4.638 50 0 JJAAMN COc1ccc(OC)c(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2cc(OC)ccc2OC)c1 ZINC000002916674 524801521 /nfs/dbraw/zinc/80/15/21/524801521.db2.gz KBFFWHMVJRPAQY-IMYWFDTISA-N 0 1 460.534 4.502 50 0 JJAAMN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nc(-c3ccccc3Cl)n[nH]2)no1 ZINC000033270838 524986250 /nfs/dbraw/zinc/98/62/50/524986250.db2.gz NEPRTQHHJCTDAY-UHFFFAOYSA-N 0 1 472.933 4.819 50 0 JJAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccc(F)cc4)n[nH]3)no2)cc1Cl ZINC000033270964 525040141 /nfs/dbraw/zinc/04/01/41/525040141.db2.gz NUAAVEWKGOXSOU-UHFFFAOYSA-N 0 1 472.933 4.819 50 0 JJAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4Cl)n[nH]3)no2)cc1C ZINC000033270989 525040268 /nfs/dbraw/zinc/04/02/68/525040268.db2.gz XFEZCWMYKXHBMH-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl ZINC000002882969 525272088 /nfs/dbraw/zinc/27/20/88/525272088.db2.gz PBVYHALQELZFKM-UHFFFAOYSA-N 0 1 487.984 4.551 50 0 JJAAMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016483708 525392048 /nfs/dbraw/zinc/39/20/48/525392048.db2.gz XSHFDOUPNILLEB-OAQYLSRUSA-N 0 1 477.630 4.567 50 0 JJAAMN CSCCCN1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000014977176 525450475 /nfs/dbraw/zinc/45/04/75/525450475.db2.gz CLGHXEOPQLEZJW-MJGOQNOKSA-N 0 1 458.678 4.927 50 0 JJAAMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022502203 525657389 /nfs/dbraw/zinc/65/73/89/525657389.db2.gz NNZPDRJCFPRLJG-UHFFFAOYSA-N 0 1 457.500 4.512 50 0 JJAAMN Cc1c(Cl)cccc1NC(=O)CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1 ZINC000033270764 525764646 /nfs/dbraw/zinc/76/46/46/525764646.db2.gz CYUYFWLQDSYZDI-UHFFFAOYSA-N 0 1 454.943 4.680 50 0 JJAAMN COc1cccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2cccc(OC)c2OC)c1OC ZINC000002916651 525765516 /nfs/dbraw/zinc/76/55/16/525765516.db2.gz GVUHAWSWBCXULQ-LKVFMFGUSA-N 0 1 460.534 4.502 50 0 JJAAMN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000035488928 525932807 /nfs/dbraw/zinc/93/28/07/525932807.db2.gz QDIVDKWMTHOIRU-JMBFNUQRSA-N 0 1 497.982 4.663 50 0 JJAAMN COc1cccc(C[C@@H](C2CCN(Cc3ccc4nsnc4c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014994304 526071531 /nfs/dbraw/zinc/07/15/31/526071531.db2.gz HRZNOQJMOXUASE-VWLOTQADSA-N 0 1 490.629 4.888 50 0 JJAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147161 526285011 /nfs/dbraw/zinc/28/50/11/526285011.db2.gz FCLDFVNKIDREPH-LADGPHEKSA-N 0 1 454.954 4.506 50 0 JJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307731 526300688 /nfs/dbraw/zinc/30/06/88/526300688.db2.gz HZDNZKHCAXIHBF-UHFFFAOYSA-N 0 1 497.017 4.526 50 0 JJAAMN Fc1cccc(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c1F ZINC000014981793 526386504 /nfs/dbraw/zinc/38/65/04/526386504.db2.gz JWNBCDJDBJWTPY-UHFFFAOYSA-N 0 1 465.544 4.798 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)no1)Nc1c(F)cccc1F ZINC000033270909 526650229 /nfs/dbraw/zinc/65/02/29/526650229.db2.gz NYZNGQFVFRRFCO-UHFFFAOYSA-N 0 1 476.896 4.650 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccc(F)cc3)n[nH]2)no1)Nc1ccc(Cl)cc1F ZINC000033270970 526650285 /nfs/dbraw/zinc/65/02/85/526650285.db2.gz UHEDCDGICMDNIE-UHFFFAOYSA-N 0 1 476.896 4.650 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3cccc(F)c3)n[nH]2)no1)Nc1ccc(Cl)cc1 ZINC000033270941 526650898 /nfs/dbraw/zinc/65/08/98/526650898.db2.gz RVXLMBHYNYHWQQ-UHFFFAOYSA-N 0 1 458.906 4.511 50 0 JJAAMN O=C(CN(C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309649 526697614 /nfs/dbraw/zinc/69/76/14/526697614.db2.gz JWRVLCRQHWDRQV-UIOOFZCWSA-N 0 1 494.632 4.838 50 0 JJAAMN Cc1oc2c(cc3c(C)c(CC(=O)NCCc4cnc[nH]4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000012296603 526779235 /nfs/dbraw/zinc/77/92/35/526779235.db2.gz LOVKFDYSIHKSQS-UHFFFAOYSA-N 0 1 455.514 4.756 50 0 biogenic JJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000033299310 526860746 /nfs/dbraw/zinc/86/07/46/526860746.db2.gz IERCWXDFCNKFQO-UHFFFAOYSA-N 0 1 484.569 4.593 50 0 JJAAMN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1n[nH]c(C(F)(F)F)n1 ZINC000016741965 527138231 /nfs/dbraw/zinc/13/82/31/527138231.db2.gz WDUJYGLJWMGBBA-CQSZACIVSA-N 0 1 481.217 4.987 50 0 JJAAMN O[C@@](c1ccccc1)(c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020440868 527680389 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0 1 457.353 4.817 50 0 JJAAMN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002314948 554145030 /nfs/dbraw/zinc/14/50/30/554145030.db2.gz YKVJJTZYVJOCKK-SFHVURJKSA-N 0 1 457.861 4.613 50 0 JJAAMN COc1ccc(CCn2c(NS(=O)(=O)c3ccccc3)cc3nc4ccccc4nc32)cc1 ZINC000002408014 554190082 /nfs/dbraw/zinc/19/00/82/554190082.db2.gz MQMTYMBAXZPYCC-UHFFFAOYSA-N 0 1 458.543 4.637 50 0 JJAAMN COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1 ZINC000002637408 554257871 /nfs/dbraw/zinc/25/78/71/554257871.db2.gz FPLWFNGTYZKFPA-UHFFFAOYSA-N 0 1 484.505 4.571 50 0 aggregator JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002759998 554331124 /nfs/dbraw/zinc/33/11/24/554331124.db2.gz UWIHFLRTGALAAA-UHFFFAOYSA-N 0 1 481.357 4.820 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n1 ZINC000002861574 554388269 /nfs/dbraw/zinc/38/82/69/554388269.db2.gz PARIUSGXPRSYJN-UHFFFAOYSA-N 0 1 455.540 4.900 50 0 JJAAMN COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000002885375 554406383 /nfs/dbraw/zinc/40/63/83/554406383.db2.gz XRXJCQXKAUOVMJ-UHFFFAOYSA-N 0 1 472.994 4.739 50 0 JJAAMN COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000002888686 554407628 /nfs/dbraw/zinc/40/76/28/554407628.db2.gz WQLZHLJNXNCSHM-UHFFFAOYSA-N 0 1 458.967 4.696 50 0 JJAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002970323 554414004 /nfs/dbraw/zinc/41/40/04/554414004.db2.gz PFUUSXBRNLFTMT-UHFFFAOYSA-N 0 1 471.026 4.622 50 0 JJAAMN C[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)[C@H]1C ZINC000002973737 554414444 /nfs/dbraw/zinc/41/44/44/554414444.db2.gz WUDCCMITBVORMP-DVOMOZLQSA-N 0 1 452.418 4.543 50 0 JJAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1cccc(Cl)c1 ZINC000002973741 554414506 /nfs/dbraw/zinc/41/45/06/554414506.db2.gz IIKMDUFSTKUVNJ-UHFFFAOYSA-N 0 1 466.788 4.572 50 0 JJAAMN CCC[C@@H](C)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006093604 554505050 /nfs/dbraw/zinc/50/50/50/554505050.db2.gz NRFYREDOQSXXFP-GOSISDBHSA-N 0 1 474.623 4.555 50 0 JJAAMN C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146511 554510838 /nfs/dbraw/zinc/51/08/38/554510838.db2.gz MJACNWDRPKKPNG-HNNXBMFYSA-N 0 1 471.376 4.841 50 0 JJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCc2nnc(-c3ccccc3)o2)c1 ZINC000008826140 554715454 /nfs/dbraw/zinc/71/54/54/554715454.db2.gz GYNSCVDWIFKUSF-UHFFFAOYSA-N 0 1 463.515 4.511 50 0 JJAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5c(c4)OCCO5)=NN23)cc1 ZINC000008838223 554739542 /nfs/dbraw/zinc/73/95/42/554739542.db2.gz JOUIYVNIHLAGFW-RUZDIDTESA-N 0 1 467.569 4.994 50 0 JJAAMN O=C(Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2)c1cc(-c2ccccc2O)n[nH]1 ZINC000008845239 554741781 /nfs/dbraw/zinc/74/17/81/554741781.db2.gz BNLUXGACNNJVBT-UHFFFAOYSA-N 0 1 486.597 4.947 50 0 JJAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(Br)c1OC ZINC000008923433 554820604 /nfs/dbraw/zinc/82/06/04/554820604.db2.gz WSUZAAXSJQWSDN-SFHVURJKSA-N 0 1 466.401 4.723 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 ZINC000008961147 554837757 /nfs/dbraw/zinc/83/77/57/554837757.db2.gz LXSOKYAPHLENAB-UHFFFAOYSA-N 0 1 452.532 4.967 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961513 554837901 /nfs/dbraw/zinc/83/79/01/554837901.db2.gz GZNTXOLSMXGAQJ-UHFFFAOYSA-N 0 1 458.923 4.840 50 0 JJAAMN C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009050143 554871702 /nfs/dbraw/zinc/87/17/02/554871702.db2.gz VOLSNRPWHYFOJQ-FQEVSTJZSA-N 0 1 485.584 4.610 50 0 JJAAMN Cc1c2cc3c(-c4ccc(F)cc4)coc3cc2oc(=O)c1CCC(=O)NCCc1cnc[nH]1 ZINC000009059915 554878588 /nfs/dbraw/zinc/87/85/88/554878588.db2.gz FRIYRIXWYAPNST-UHFFFAOYSA-N 0 1 459.477 4.668 50 0 JJAAMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Sc4ccccn4)c(Cl)c3)c(Cl)cc21 ZINC000009130230 554929253 /nfs/dbraw/zinc/92/92/53/554929253.db2.gz HEVHIUZVOYOADP-UHFFFAOYSA-N 0 1 482.370 4.785 50 0 JJAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169397 554952897 /nfs/dbraw/zinc/95/28/97/554952897.db2.gz CYZDGVZEGZPQQB-UHFFFAOYSA-N 0 1 460.596 4.602 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169598 554953049 /nfs/dbraw/zinc/95/30/49/554953049.db2.gz YQXCBJGDUYKFDL-UHFFFAOYSA-N 0 1 481.014 4.947 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000009191723 554963933 /nfs/dbraw/zinc/96/39/33/554963933.db2.gz OOBUXIVCQHBQNR-GFQWBHFJSA-N 0 1 466.512 4.778 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000009242679 555017376 /nfs/dbraw/zinc/01/73/76/555017376.db2.gz ASICUJJSFONUQM-RUZDIDTESA-N 0 1 499.995 4.715 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009243425 555018427 /nfs/dbraw/zinc/01/84/27/555018427.db2.gz QYQYNEFAIZPMCD-AREMUKBSSA-N 0 1 484.556 4.947 50 0 JJAAMN CC(=O)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009357691 555122431 /nfs/dbraw/zinc/12/24/31/555122431.db2.gz ZYBODWLMECZACX-HQQJGFCBSA-N 0 1 468.940 4.902 50 0 JJAAMN O=C(CNC1(c2ccccc2)CCC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009377048 555138350 /nfs/dbraw/zinc/13/83/50/555138350.db2.gz VEIFFEQIXICOIJ-UHFFFAOYSA-N 0 1 476.042 4.512 50 0 JJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000009408936 555172040 /nfs/dbraw/zinc/17/20/40/555172040.db2.gz OWTKEYHXVHTMGD-DWXRJYCRSA-N 0 1 477.561 4.694 50 0 JJAAMN CC(C)CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408958 555172099 /nfs/dbraw/zinc/17/20/99/555172099.db2.gz XCWKUJBLTDHZHS-FNZWTVRRSA-N 0 1 461.562 4.931 50 0 JJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009408933 555172125 /nfs/dbraw/zinc/17/21/25/555172125.db2.gz OWTKEYHXVHTMGD-HFJWLAOPSA-N 0 1 477.561 4.694 50 0 JJAAMN CC(C)CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009408959 555172303 /nfs/dbraw/zinc/17/23/03/555172303.db2.gz XCWKUJBLTDHZHS-FQRUVTKNSA-N 0 1 461.562 4.931 50 0 JJAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1OCC ZINC000009409045 555172568 /nfs/dbraw/zinc/17/25/68/555172568.db2.gz BRHGZGSGUJDVJK-AREMUKBSSA-N 0 1 479.577 4.942 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1OCC ZINC000009409083 555172740 /nfs/dbraw/zinc/17/27/40/555172740.db2.gz CSLRBQMRRQSTTE-RUZDIDTESA-N 0 1 465.550 4.552 50 0 JJAAMN Cc1cc(N2CCN(Cn3cc(CC(=O)N4CCCCC4)c4ccccc43)CC2)nc2ccccc12 ZINC000009423069 555187986 /nfs/dbraw/zinc/18/79/86/555187986.db2.gz VWIAYKUHLBNURD-UHFFFAOYSA-N 0 1 481.644 4.833 50 0 JJAAMN C[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)[C@@H]1C ZINC000009434335 555205352 /nfs/dbraw/zinc/20/53/52/555205352.db2.gz WUDCCMITBVORMP-XJKCOSOUSA-N 0 1 452.418 4.543 50 0 JJAAMN Nn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009447422 555220268 /nfs/dbraw/zinc/22/02/68/555220268.db2.gz YXVLRMWFHJYPOP-UHFFFAOYSA-N 0 1 497.609 4.971 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000009492384 555272229 /nfs/dbraw/zinc/27/22/29/555272229.db2.gz QTKAXAOJDWFMFQ-UHFFFAOYSA-N 0 1 490.585 4.610 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc2OC)cc1 ZINC000009492630 555272875 /nfs/dbraw/zinc/27/28/75/555272875.db2.gz UGRDOULWQCAXDP-UHFFFAOYSA-N 0 1 498.601 4.954 50 0 JJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)n1 ZINC000009494373 555278389 /nfs/dbraw/zinc/27/83/89/555278389.db2.gz LXLZKVXKYSAQFE-UHFFFAOYSA-N 0 1 489.941 4.502 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCSc2ccccc2)ccc1C ZINC000009540601 555333697 /nfs/dbraw/zinc/33/36/97/555333697.db2.gz PSNHRNNDFVCTPT-UHFFFAOYSA-N 0 1 456.589 4.925 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000009546163 555340582 /nfs/dbraw/zinc/34/05/82/555340582.db2.gz FMCRYUDCFAGTLW-UHFFFAOYSA-N 0 1 490.578 4.765 50 0 JJAAMN O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000013145423 555342300 /nfs/dbraw/zinc/34/23/00/555342300.db2.gz VPGBCLWAKMCFPF-UHFFFAOYSA-N 0 1 458.923 4.554 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2ccc(C)c(C)c2)ccc1N1CCCC1 ZINC000013148920 555350729 /nfs/dbraw/zinc/35/07/29/555350729.db2.gz OUARVGLSUNRGAF-UHFFFAOYSA-N 0 1 493.629 4.894 50 0 JJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009609729 555438372 /nfs/dbraw/zinc/43/83/72/555438372.db2.gz IHQWHDNONYYCNR-AWEZNQCLSA-N 0 1 453.568 4.719 50 0 JJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000009739269 555470885 /nfs/dbraw/zinc/47/08/85/555470885.db2.gz GGAHWWQSIHFURL-UHFFFAOYSA-N 0 1 486.037 4.525 50 0 JJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009792902 555511366 /nfs/dbraw/zinc/51/13/66/555511366.db2.gz QXYHOMSJBKEVQE-UHFFFAOYSA-N 0 1 471.992 4.982 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2cccc(OCc3c(C)noc3C)c2)N2CCCCC2)cc1 ZINC000009820679 555523527 /nfs/dbraw/zinc/52/35/27/555523527.db2.gz YUIPDFUXMSIITB-SANMLTNESA-N 0 1 463.578 4.836 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccs3)n2)cc1)c1ccccc1 ZINC000009972212 555571473 /nfs/dbraw/zinc/57/14/73/555571473.db2.gz MUKYJXXKEBGXAV-DHZHZOJOSA-N 0 1 462.556 4.762 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1OC ZINC000013750237 555608802 /nfs/dbraw/zinc/60/88/02/555608802.db2.gz FQBIEQVUWIYORW-ZDXQCDESSA-N 0 1 478.932 4.717 50 0 JJAAMN CCOC(=O)[C@](Nc1ccccc1Cl)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000013757117 555611191 /nfs/dbraw/zinc/61/11/91/555611191.db2.gz NIQAFNSCKJJPDN-FXAWDEMLSA-N 0 1 453.848 4.655 50 0 JJAAMN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000013759297 555612152 /nfs/dbraw/zinc/61/21/52/555612152.db2.gz OVQNCXQGSUJJPI-PFBJBMPXSA-N 0 1 490.515 4.957 50 0 JJAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013769273 555613670 /nfs/dbraw/zinc/61/36/70/555613670.db2.gz JPEMRARTJNKTAG-CYXNTTPDSA-N 0 1 472.541 4.925 50 0 JJAAMN CCCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104170 555636206 /nfs/dbraw/zinc/63/62/06/555636206.db2.gz SRFRGBIIRYDEIG-WUFINQPMSA-N 0 1 489.660 4.863 50 0 JJAAMN CN1CCN(CCCN(Cc2cccs2)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020107883 555642191 /nfs/dbraw/zinc/64/21/91/555642191.db2.gz VQPPZKQFBLBCCA-UHFFFAOYSA-N 0 1 456.603 4.603 50 0 JJAAMN O=C(C1CCN(Cc2ccc3c(c2)OCO3)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000013898360 555644890 /nfs/dbraw/zinc/64/48/90/555644890.db2.gz HCKILWKRQFZKBW-UHFFFAOYSA-N 0 1 456.586 4.899 50 0 JJAAMN COc1ccc(COC(=O)C2C(C)=NC(=O)N[C@@H]2c2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000013943303 555654452 /nfs/dbraw/zinc/65/44/52/555654452.db2.gz SLEHLOSHTGRPGA-AREMUKBSSA-N 0 1 488.540 4.654 50 0 JJAAMN Cc1ncsc1CCCNC(=O)CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 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/nfs/dbraw/zinc/77/66/04/555776604.db2.gz ORLRWQWZRWCUBV-UHFFFAOYSA-N 0 1 470.982 4.689 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCc4ccccc4Cl)c3=O)c2c1 ZINC000020331348 555776613 /nfs/dbraw/zinc/77/66/13/555776613.db2.gz CLCMGSKMAKRGJL-UHFFFAOYSA-N 0 1 470.982 4.689 50 0 JJAAMN CC(C)C[C@@H](C(=O)NCC1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O ZINC000020531413 555799064 /nfs/dbraw/zinc/79/90/64/555799064.db2.gz AIHRZVKQVYKQNF-VWLOTQADSA-N 0 1 468.041 4.739 50 0 JJAAMN COc1cc(OC)c(OC)cc1CN1CCC2(C[C@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000011782308 555812706 /nfs/dbraw/zinc/81/27/06/555812706.db2.gz GWXRDQNDNHCOMQ-FQEVSTJZSA-N 0 1 456.608 4.675 50 0 JJAAMN CC(=O)Nc1ccc(CN2CCOc3ccc(CN4CCN(c5ccc(F)cc5)CC4)cc3C2)cc1 ZINC000011790571 555826617 /nfs/dbraw/zinc/82/66/17/555826617.db2.gz IGDIKIJEQZICOM-UHFFFAOYSA-N 0 1 488.607 4.501 50 0 JJAAMN Cc1ccc(C)c(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3)CC2)c1 ZINC000020644518 555846513 /nfs/dbraw/zinc/84/65/13/555846513.db2.gz RHOHJXJPRJEWET-UHFFFAOYSA-N 0 1 490.673 4.831 50 0 JJAAMN Cc1cccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3)C[C@H]2C)c1 ZINC000020644512 555846551 /nfs/dbraw/zinc/84/65/51/555846551.db2.gz OMWGUADJCRBZDS-ITAUSPCMSA-N 0 1 490.673 4.911 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)cc1 ZINC000011905214 555853343 /nfs/dbraw/zinc/85/33/43/555853343.db2.gz WNZKFQLFCQBVJH-OAQYLSRUSA-N 0 1 470.367 4.680 50 0 JJAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Br)c(OCC)c(OCC)c1 ZINC000015016350 555857463 /nfs/dbraw/zinc/85/74/63/555857463.db2.gz PIWNAOOKRGTFAD-FQEVSTJZSA-N 0 1 489.366 4.575 50 0 JJAAMN CSc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000021931757 555857572 /nfs/dbraw/zinc/85/75/72/555857572.db2.gz HYUJPACDAGNYNH-UHFFFAOYSA-N 0 1 478.393 4.619 50 0 JJAAMN CC[C@@H](C)c1ccc(-c2csc(Cn3c(CN4CCN(C)CC4)nc4ccccc4c3=O)n2)cc1 ZINC000022030292 555864555 /nfs/dbraw/zinc/86/45/55/555864555.db2.gz GILSLIZEYPBWAI-HXUWFJFHSA-N 0 1 487.673 4.829 50 0 JJAAMN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039049 555865577 /nfs/dbraw/zinc/86/55/77/555865577.db2.gz DIFYWVGMEXSQHY-YTMVLYRLSA-N 0 1 456.630 4.849 50 0 JJAAMN COc1ccccc1NC(=O)CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022199758 555884205 /nfs/dbraw/zinc/88/42/05/555884205.db2.gz BLCJAWKCDVKNIN-UHFFFAOYSA-N 0 1 465.544 4.709 50 0 JJAAMN O=C(COc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000015506381 555912038 /nfs/dbraw/zinc/91/20/38/555912038.db2.gz BOJKTARDBPFROY-UHFFFAOYSA-N 0 1 451.331 4.812 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCC(=O)c2ccc(C)cc2)ccc1C ZINC000015513570 555912398 /nfs/dbraw/zinc/91/23/98/555912398.db2.gz YLLKYOCOJWXCPT-UHFFFAOYSA-N 0 1 466.559 4.714 50 0 JJAAMN c1ccc(CN2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)nc1 ZINC000012247921 555947270 /nfs/dbraw/zinc/94/72/70/555947270.db2.gz RRHRYGZMAPGAJJ-QHCPKHFHSA-N 0 1 455.672 4.904 50 0 JJAAMN CN(C)CCN(C(=O)CSc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012342176 555954640 /nfs/dbraw/zinc/95/46/40/555954640.db2.gz UOHUIGDYSHQESY-UHFFFAOYSA-N 0 1 450.427 4.746 50 0 JJAAMN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852777 555960291 /nfs/dbraw/zinc/96/02/91/555960291.db2.gz ALVOYYSAXDCYIB-HSZRJFAPSA-N 0 1 461.635 4.835 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 ZINC000022897613 555964495 /nfs/dbraw/zinc/96/44/95/555964495.db2.gz NMAINJCHGUGHFD-UHFFFAOYSA-N 0 1 478.492 4.787 50 0 JJAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000022911974 555967586 /nfs/dbraw/zinc/96/75/86/555967586.db2.gz CNOVIYRIFQYVNT-UHFFFAOYSA-N 0 1 491.651 4.560 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CC=CCC3)ccc2OC)cc1Br ZINC000015756079 555985190 /nfs/dbraw/zinc/98/51/90/555985190.db2.gz JWLVSQCMXDQNJO-CQSZACIVSA-N 0 1 495.395 4.562 50 0 JJAAMN CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000012521075 555992411 /nfs/dbraw/zinc/99/24/11/555992411.db2.gz 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Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Cc4ccccc4)cc3C)s2)cc1 ZINC000015862061 556034933 /nfs/dbraw/zinc/03/49/33/556034933.db2.gz GSFKWQDJFYQBQO-UHFFFAOYSA-N 0 1 451.573 4.895 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000015870546 556050468 /nfs/dbraw/zinc/05/04/68/556050468.db2.gz VNRZRLQUSGNMEQ-UHFFFAOYSA-N 0 1 455.967 4.821 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000012560561 556052596 /nfs/dbraw/zinc/05/25/96/556052596.db2.gz HMFUHIWUWPEHCS-UHFFFAOYSA-N 0 1 473.359 4.822 50 0 JJAAMN O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1 ZINC000012561505 556054752 /nfs/dbraw/zinc/05/47/52/556054752.db2.gz RFDWBDBJZPGSDV-HSZRJFAPSA-N 0 1 472.416 4.678 50 0 JJAAMN COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015900812 556062350 /nfs/dbraw/zinc/06/23/50/556062350.db2.gz JQQWWQLLSVWVBH-OAHLLOKOSA-N 0 1 460.552 4.754 50 0 JJAAMN C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012567197 556066012 /nfs/dbraw/zinc/06/60/12/556066012.db2.gz MGTVUTWDETZWQY-GJZGRUSLSA-N 0 1 455.908 4.873 50 0 JJAAMN C[C@@H](N[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(Cl)c1 ZINC000012567199 556066031 /nfs/dbraw/zinc/06/60/31/556066031.db2.gz MGTVUTWDETZWQY-CABCVRRESA-N 0 1 455.908 4.873 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000012585068 556082737 /nfs/dbraw/zinc/08/27/37/556082737.db2.gz BSIGRWDOJIMUOP-KRWDZBQOSA-N 0 1 456.589 4.924 50 0 JJAAMN CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(CC)C5)o2)cc1 ZINC000015947303 556085263 /nfs/dbraw/zinc/08/52/63/556085263.db2.gz INKYTCOXKZMSMS-OAQYLSRUSA-N 0 1 451.548 4.992 50 0 JJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024103239 556121597 /nfs/dbraw/zinc/12/15/97/556121597.db2.gz YILFWYVDPURMDE-UHFFFAOYSA-N 0 1 481.393 4.962 50 0 JJAAMN CCCc1ccc([C@@H](NCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C(C)C)cc1 ZINC000024746267 556147822 /nfs/dbraw/zinc/14/78/22/556147822.db2.gz LYKIDYPBRORONY-VWLOTQADSA-N 0 1 456.656 4.746 50 0 JJAAMN O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000024976975 556167063 /nfs/dbraw/zinc/16/70/63/556167063.db2.gz QXXKLTVJIKLTRY-QHCPKHFHSA-N 0 1 451.954 4.859 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000016960141 556190410 /nfs/dbraw/zinc/19/04/10/556190410.db2.gz HWZYKVPDECZRLP-UHFFFAOYSA-N 0 1 458.971 4.597 50 0 JJAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000016995880 556198919 /nfs/dbraw/zinc/19/89/19/556198919.db2.gz MEMLXVXUIUMILA-YIXXDRMTSA-N 0 1 486.959 4.701 50 0 JJAAMN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000013010681 556202975 /nfs/dbraw/zinc/20/29/75/556202975.db2.gz IJRULZYFSHLOTI-FQEVSTJZSA-N 0 1 460.628 4.841 50 0 JJAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000017013634 556203468 /nfs/dbraw/zinc/20/34/68/556203468.db2.gz JISVUZLFXQTONW-UHFFFAOYSA-N 0 1 469.611 4.702 50 0 JJAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000017041112 556207672 /nfs/dbraw/zinc/20/76/72/556207672.db2.gz SYUBXJXJHWHKJD-LJAQVGFWSA-N 0 1 480.612 4.526 50 0 JJAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000017041151 556208028 /nfs/dbraw/zinc/20/80/28/556208028.db2.gz JHIKWAGKFGAYTF-NDEPHWFRSA-N 0 1 469.585 4.724 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1C ZINC000027012837 556268205 /nfs/dbraw/zinc/26/82/05/556268205.db2.gz YIMUCBIRZMEYMY-UHFFFAOYSA-N 0 1 451.504 4.506 50 0 JJAAMN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000027373437 556277274 /nfs/dbraw/zinc/27/72/74/556277274.db2.gz KXPQUHHNPNEABT-LIONHTAISA-N 0 1 450.538 4.970 50 0 JJAAMN Nc1cc(N)nc(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)n1 ZINC000013076073 556277839 /nfs/dbraw/zinc/27/78/39/556277839.db2.gz ICQZVIZKOBZAHP-FPDOAZFCSA-N 0 1 470.602 4.556 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000018058728 556281259 /nfs/dbraw/zinc/28/12/59/556281259.db2.gz QIFYGGOSVKHCEK-VSKRKVRLSA-N 0 1 497.320 4.648 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccccc2Br)cc1 ZINC000027522835 556286961 /nfs/dbraw/zinc/28/69/61/556286961.db2.gz NFPDESKKCUHSEX-RTWAWAEBSA-N 0 1 461.315 4.510 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000027754234 556306088 /nfs/dbraw/zinc/30/60/88/556306088.db2.gz IRYHIPPUTYXBEF-OPYAIIAOSA-N 0 1 464.827 4.547 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000013109998 556310410 /nfs/dbraw/zinc/31/04/10/556310410.db2.gz CFAHYCPVFYZCFO-HXUWFJFHSA-N 0 1 459.531 4.543 50 0 JJAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)c1 ZINC000028049141 556313909 /nfs/dbraw/zinc/31/39/09/556313909.db2.gz XSOFASGPUFTVOP-UHFFFAOYSA-N 0 1 467.616 4.754 50 0 JJAAMN CN(C)[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028290118 556328357 /nfs/dbraw/zinc/32/83/57/556328357.db2.gz OLUKORBEULFVKO-LJQANCHMSA-N 0 1 471.395 4.886 50 0 JJAAMN COc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)n2)c(OC)c1 ZINC000013126018 556341241 /nfs/dbraw/zinc/34/12/41/556341241.db2.gz XRIKEWYCHYQNRN-UHFFFAOYSA-N 0 1 467.576 4.652 50 0 JJAAMN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NCCCN1CCCC1=O)c1ccccc1 ZINC000013129813 556354069 /nfs/dbraw/zinc/35/40/69/556354069.db2.gz DXRJINNRJBOBIZ-FQEVSTJZSA-N 0 1 453.892 4.641 50 0 JJAAMN CCN(Cc1ccccc1)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 ZINC000019744119 556365536 /nfs/dbraw/zinc/36/55/36/556365536.db2.gz APDYVONJNHRZCC-UHFFFAOYSA-N 0 1 475.608 4.668 50 0 JJAAMN CCCCOc1ccc(-c2cc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)[nH]n2)cc1 ZINC000032617203 556451269 /nfs/dbraw/zinc/45/12/69/556451269.db2.gz JYWPFXWDTZLRIU-UHFFFAOYSA-N 0 1 450.495 4.998 50 0 JJAAMN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cnn1-c1ccc(Br)cc1 ZINC000032762676 556488175 /nfs/dbraw/zinc/48/81/75/556488175.db2.gz GJTFDFGLYQTOCP-LJQANCHMSA-N 0 1 459.413 4.572 50 0 JJAAMN CCc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032948544 556564370 /nfs/dbraw/zinc/56/43/70/556564370.db2.gz QLVGKMBUNPQDCT-UHFFFAOYSA-N 0 1 454.602 4.798 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000032969142 563109945 /nfs/dbraw/zinc/10/99/45/563109945.db2.gz NTFHALOPKOYXIS-HTAPYJJXSA-N 0 1 461.400 4.568 50 0 JJAAMN COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000008439276 569589751 /nfs/dbraw/zinc/58/97/51/569589751.db2.gz SRLQFKUIISMELA-UHFFFAOYSA-N 0 1 458.319 4.652 50 0 JJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000057222658 569594789 /nfs/dbraw/zinc/59/47/89/569594789.db2.gz CWIBUASIFKTKCU-UHFFFAOYSA-N 0 1 463.965 4.701 50 0 JJAAMN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000008717910 569596880 /nfs/dbraw/zinc/59/68/80/569596880.db2.gz NOBAACVAGYKVLN-UHFFFAOYSA-N 0 1 450.545 4.567 50 0 JJAAMN CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000008718357 569597077 /nfs/dbraw/zinc/59/70/77/569597077.db2.gz FPZATVAXHSUBKW-UHFFFAOYSA-N 0 1 456.520 4.645 50 0 JJAAMN Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000008725016 569600055 /nfs/dbraw/zinc/60/00/55/569600055.db2.gz JYOFXZTVNMPIFR-UHFFFAOYSA-N 0 1 465.478 4.755 50 0 JJAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000008725657 569600299 /nfs/dbraw/zinc/60/02/99/569600299.db2.gz RGAFUXALMULQCL-UHFFFAOYSA-N 0 1 480.464 4.776 50 0 JJAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(C)cc2)[C@@]12c1ccccc1NC2=O ZINC000059485892 569605371 /nfs/dbraw/zinc/60/53/71/569605371.db2.gz VSTMDEBFCKYLRC-GLKSXAEWSA-N 0 1 491.591 4.572 50 0 biogenic JJAAMN CCOC(=O)c1c(NC(=O)CNCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 ZINC000062491835 569610928 /nfs/dbraw/zinc/61/09/28/569610928.db2.gz HHGNSOXOICCZEV-UHFFFAOYSA-N 0 1 482.602 4.954 50 0 JJAAMN Clc1ccc(OCCN2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)cc1 ZINC000063494560 569615331 /nfs/dbraw/zinc/61/53/31/569615331.db2.gz ZEEKKTLMABQVIL-UHFFFAOYSA-N 0 1 484.991 4.799 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064557898 569618375 /nfs/dbraw/zinc/61/83/75/569618375.db2.gz UZMJVYFSWYXONI-QFIPXVFZSA-N 0 1 477.538 4.503 50 0 JJAAMN O=C([O-])c1cc(N2CC[NH+](Cc3ccccc3F)CC2)ccc1NC(=O)c1cccc(Cl)c1 ZINC000064590315 569621418 /nfs/dbraw/zinc/62/14/18/569621418.db2.gz LHLAYRCOQXNDFD-UHFFFAOYSA-N 0 1 467.928 4.752 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cccc3C)[nH]c2=O)cc1 ZINC000064591979 569622101 /nfs/dbraw/zinc/62/21/01/569622101.db2.gz HVOXUOXLKGVUBD-UHFFFAOYSA-N 0 1 485.631 4.705 50 0 JJAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(Br)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746090 569625255 /nfs/dbraw/zinc/62/52/55/569625255.db2.gz NDFLMCPLYSFSTB-UHFFFAOYSA-N 0 1 477.476 4.963 50 0 JJAAMN CC[C@@H]1Cn2c(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816632 569633639 /nfs/dbraw/zinc/63/36/39/569633639.db2.gz VHABDQVNQZAETR-HXUWFJFHSA-N 0 1 485.003 4.547 50 0 JJAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000064837408 569637115 /nfs/dbraw/zinc/63/71/15/569637115.db2.gz NVCMOSLFCIKSPI-UHFFFAOYSA-N 0 1 451.342 4.839 50 0 JJAAMN COc1cc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)ccc1O ZINC000034683576 569644490 /nfs/dbraw/zinc/64/44/90/569644490.db2.gz CSGNKQYZDYXWEW-UHFFFAOYSA-N 0 1 452.501 4.990 50 0 JJAAMN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2cccs2)CC1 ZINC000034683831 569644610 /nfs/dbraw/zinc/64/46/10/569644610.db2.gz MPLNOMRPDNFMFH-UHFFFAOYSA-N 0 1 491.034 4.990 50 0 JJAAMN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCCN4CCN(c5ccccc5)CC4)cc3)ccc21 ZINC000065026885 569651635 /nfs/dbraw/zinc/65/16/35/569651635.db2.gz UNCFROWELYJALM-UHFFFAOYSA-N 0 1 496.655 4.595 50 0 JJAAMN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737745 569654574 /nfs/dbraw/zinc/65/45/74/569654574.db2.gz 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COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096032 524015095 /nfs/dbraw/zinc/01/50/95/524015095.db2.gz YVBNSINDDSRMFD-QFIPXVFZSA-N 0 1 459.945 4.938 50 0 JJAAMN COc1ccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2CN(C)C)cc1OC ZINC000014956529 524052544 /nfs/dbraw/zinc/05/25/44/524052544.db2.gz AMTKDNZWLPBIRG-UHFFFAOYSA-N 0 1 491.613 4.737 50 0 JJAAMN C[C@H](CNS(=O)(=O)c1cccc2cccnc21)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000012281420 524492613 /nfs/dbraw/zinc/49/26/13/524492613.db2.gz KWPGROOJRGOTSE-LJQANCHMSA-N 0 1 481.643 4.674 50 0 JJAAMN COc1ccccc1N1C(=O)NC(=O)[C@](CCc2ccncc2)(Cc2cccc3ccccc32)C1=O ZINC000016293642 524534771 /nfs/dbraw/zinc/53/47/71/524534771.db2.gz VEKDNPOLEXUUAX-LJAQVGFWSA-N 0 1 479.536 4.688 50 0 JJAAMN COc1ccccc1N1CCN(C(=O)c2cc(-c3sc(-c4cccc(C)c4)nc3C)[nH]n2)CC1 ZINC000049002318 524549710 /nfs/dbraw/zinc/54/97/10/524549710.db2.gz DVMUGNIMHKYPGX-UHFFFAOYSA-N 0 1 473.602 4.788 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000012525793 524645267 /nfs/dbraw/zinc/64/52/67/524645267.db2.gz OTVXITZRWQAANT-UHFFFAOYSA-N 0 1 484.574 4.651 50 0 JJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000016128260 524881253 /nfs/dbraw/zinc/88/12/53/524881253.db2.gz PEHILTYQYJMOGV-UHFFFAOYSA-N 0 1 480.464 4.776 50 0 JJAAMN COc1ccc(Oc2c(CN(C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306196 524990914 /nfs/dbraw/zinc/99/09/14/524990914.db2.gz LMFMQGWZYSCVEO-HSZRJFAPSA-N 0 1 479.621 4.886 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCC2)cc1 ZINC000009127356 525358577 /nfs/dbraw/zinc/35/85/77/525358577.db2.gz QUJDAVAAUNDBTJ-SANMLTNESA-N 0 1 467.573 4.510 50 0 JJAAMN COc1ccc2cc(CN(C(=O)[C@@H]3CCCCN3C)C3CC3)c(N(C)Cc3csc(C)n3)nc2c1 ZINC000012510312 525623628 /nfs/dbraw/zinc/62/36/28/525623628.db2.gz ZMSTXPPQHVXLST-VWLOTQADSA-N 0 1 493.677 4.620 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)cc2)n1 ZINC000033332863 525695737 /nfs/dbraw/zinc/69/57/37/525695737.db2.gz AXFDJZDPQJWOKV-OQFOIZHKSA-N 0 1 463.346 4.545 50 0 JJAAMN COc1cccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2cccc(OC)c2OC)c1OC ZINC000002916654 525766311 /nfs/dbraw/zinc/76/63/11/525766311.db2.gz GVUHAWSWBCXULQ-INJZMFEXSA-N 0 1 460.534 4.502 50 0 JJAAMN COc1cccc(CN(C(=O)CSc2nc(C3CC3)n[nH]2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021737017 525904816 /nfs/dbraw/zinc/90/48/16/525904816.db2.gz YEWDEVGJLPKVRI-UHFFFAOYSA-N 0 1 452.624 4.780 50 0 JJAAMN COc1cccc(CN(C(=O)CSc2n[nH]c(C3CC3)n2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021737017 525904830 /nfs/dbraw/zinc/90/48/30/525904830.db2.gz YEWDEVGJLPKVRI-UHFFFAOYSA-N 0 1 452.624 4.780 50 0 JJAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)c2oc1C(=O)N1CCOCC1 ZINC000065010833 525942544 /nfs/dbraw/zinc/94/25/44/525942544.db2.gz FGSFTXIODADWDR-UHFFFAOYSA-N 0 1 470.591 4.755 50 0 JJAAMN COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2C)c1 ZINC000016505603 526200822 /nfs/dbraw/zinc/20/08/22/526200822.db2.gz LBDUKKMDHUGFNH-UHFFFAOYSA-N 0 1 490.965 4.727 50 0 JJAAMN COc1cccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c1 ZINC000012508017 526241560 /nfs/dbraw/zinc/24/15/60/526241560.db2.gz QMWORWQWAUGJNX-UHFFFAOYSA-N 0 1 494.491 4.943 50 0 JJAAMN COc1cccc(Oc2c(CN(C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305474 526241817 /nfs/dbraw/zinc/24/18/17/526241817.db2.gz LWOKHKWJQBYRPS-QFIPXVFZSA-N 0 1 465.594 4.638 50 0 JJAAMN O[C@H](COc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150903 526290811 /nfs/dbraw/zinc/29/08/11/526290811.db2.gz MEIVMTOPDVRYDJ-SANMLTNESA-N 0 1 499.611 4.620 50 0 JJAAMN O=C(NCCc1cccc(F)c1)c1cc2cc(C3(O)CCN(Cc4ccco4)CC3)ccc2o1 ZINC000014987256 526417653 /nfs/dbraw/zinc/41/76/53/526417653.db2.gz DAGGPECVAKUVHI-UHFFFAOYSA-N 0 1 462.521 4.621 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3cccc(F)c3)n[nH]2)no1)Nc1ccc(F)c(Cl)c1 ZINC000033270946 526650627 /nfs/dbraw/zinc/65/06/27/526650627.db2.gz BQWCCMLCFRKTCF-UHFFFAOYSA-N 0 1 476.896 4.650 50 0 JJAAMN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1n[nH]c(C(F)(F)F)n1 ZINC000016741964 527138262 /nfs/dbraw/zinc/13/82/62/527138262.db2.gz WDUJYGLJWMGBBA-AWEZNQCLSA-N 0 1 481.217 4.987 50 0 JJAAMN Cc1ccc(-c2n[nH]c(S[C@H]3CCc4ccccc4N(CC(=O)OC(C)(C)C)C3=O)n2)cc1 ZINC000000684941 553756216 /nfs/dbraw/zinc/75/62/16/553756216.db2.gz QLGQGQJKCVRGPE-FQEVSTJZSA-N 0 1 464.591 4.562 50 0 JJAAMN CC1=NC(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCc1ccc2c(c1)OCO2 ZINC000000861176 553801937 /nfs/dbraw/zinc/80/19/37/553801937.db2.gz CGGKDCONHFXQRO-DEOSSOPVSA-N 0 1 458.470 4.579 50 0 JJAAMN CCOc1ccc(NC=C(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000937066 553874292 /nfs/dbraw/zinc/87/42/92/553874292.db2.gz SVFKDRUYIIUIFE-UHFFFAOYSA-N 0 1 471.600 4.861 50 0 JJAAMN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000002314165 554144658 /nfs/dbraw/zinc/14/46/58/554144658.db2.gz AZMVECJNVIQIKU-MRXNPFEDSA-N 0 1 453.970 4.890 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)n1 ZINC000002370963 554170362 /nfs/dbraw/zinc/17/03/62/554170362.db2.gz QHULWANDWOWXOP-UHFFFAOYSA-N 0 1 472.570 4.747 50 0 JJAAMN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Br)cc1Cl ZINC000002662834 554276167 /nfs/dbraw/zinc/27/61/67/554276167.db2.gz ZXIHSONJODXKOV-UHFFFAOYSA-N 0 1 481.803 4.888 50 0 JJAAMN CC(=O)Nc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)cc1 ZINC000002862101 554388876 /nfs/dbraw/zinc/38/88/76/554388876.db2.gz PZFCNHYHQQORNK-UHFFFAOYSA-N 0 1 494.602 4.720 50 0 JJAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccccc1Cl ZINC000002973891 554414466 /nfs/dbraw/zinc/41/44/66/554414466.db2.gz DJGWGBKOCNNKDC-UHFFFAOYSA-N 0 1 494.842 4.978 50 0 JJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c1 ZINC000002991529 554421065 /nfs/dbraw/zinc/42/10/65/554421065.db2.gz NIQIDSKTCFNDAM-UHFFFAOYSA-N 0 1 493.006 4.889 50 0 JJAAMN C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146494 554510740 /nfs/dbraw/zinc/51/07/40/554510740.db2.gz MJACNWDRPKKPNG-OAHLLOKOSA-N 0 1 471.376 4.841 50 0 JJAAMN CCOCCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)cc(C)c3O)n[nH]1)CCCC2 ZINC000008845572 554743122 /nfs/dbraw/zinc/74/31/22/554743122.db2.gz ALNACRXYRIBRDV-UHFFFAOYSA-N 0 1 496.633 4.748 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4ccc(C)cc4)C[C@H]3c3ccco3)n2)cc1 ZINC000008894772 554784292 /nfs/dbraw/zinc/78/42/92/554784292.db2.gz ZLKQBPKWULDBEG-NRFANRHFSA-N 0 1 473.558 4.852 50 0 JJAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008918609 554815360 /nfs/dbraw/zinc/81/53/60/554815360.db2.gz SIIALBCLIFEUSX-UUROJUAVSA-N 0 1 462.549 4.866 50 0 biogenic JJAAMN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000008965819 554841027 /nfs/dbraw/zinc/84/10/27/554841027.db2.gz HQGGWXHKMSADHA-UHFFFAOYSA-N 0 1 451.574 4.852 50 0 JJAAMN COc1cc(OC)c(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1Cl ZINC000009049111 554871367 /nfs/dbraw/zinc/87/13/67/554871367.db2.gz ASGWCYAYWVXQTG-UHFFFAOYSA-N 0 1 481.888 4.854 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Oc2ccccc2)ccc1N1CCCC1 ZINC000009120623 554914019 /nfs/dbraw/zinc/91/40/19/554914019.db2.gz GAXJRKWSTDJCRJ-UHFFFAOYSA-N 0 1 467.547 4.707 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000009124161 554915214 /nfs/dbraw/zinc/91/52/14/554915214.db2.gz HRHZTXZLQBNPQZ-AREMUKBSSA-N 0 1 485.540 4.596 50 0 JJAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)c1 ZINC000009124302 554915317 /nfs/dbraw/zinc/91/53/17/554915317.db2.gz XAGBAVMLVRVEDV-RUZDIDTESA-N 0 1 454.530 4.938 50 0 JJAAMN CC(C)CCN1c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009174064 554955061 /nfs/dbraw/zinc/95/50/61/554955061.db2.gz QYQVQMPOIJGWKU-UHFFFAOYSA-N 0 1 450.988 4.939 50 0 JJAAMN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc(Cl)c3O)C2=O)cc1C ZINC000009233920 555007194 /nfs/dbraw/zinc/00/71/94/555007194.db2.gz PYNGUWWDSBVAEU-FRKPEAEDSA-N 0 1 451.331 4.991 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009235615 555009537 /nfs/dbraw/zinc/00/95/37/555009537.db2.gz ZKNBHWFVWAVUHP-GFQWBHFJSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000009242680 555017344 /nfs/dbraw/zinc/01/73/44/555017344.db2.gz ASICUJJSFONUQM-VWLOTQADSA-N 0 1 499.995 4.715 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccccc2F)cc1OC ZINC000009243050 555017895 /nfs/dbraw/zinc/01/78/95/555017895.db2.gz LDCGIZWRZRSYLX-SANMLTNESA-N 0 1 473.504 4.727 50 0 JJAAMN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2csnn2)cc1Br ZINC000009250865 555024163 /nfs/dbraw/zinc/02/41/63/555024163.db2.gz NOVGPHDVBHOTJI-UHFFFAOYSA-N 0 1 458.293 4.539 50 0 JJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000009290399 555064784 /nfs/dbraw/zinc/06/47/84/555064784.db2.gz CCPYBGOSGAYKIF-UHFFFAOYSA-N 0 1 461.927 4.802 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009290606 555064914 /nfs/dbraw/zinc/06/49/14/555064914.db2.gz IMVYVTQUFREZRA-JPYYHWIRSA-N 0 1 454.551 4.619 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OCC ZINC000009408961 555172311 /nfs/dbraw/zinc/17/23/11/555172311.db2.gz OKIZROVOINRJQI-HFJWLAOPSA-N 0 1 477.561 4.694 50 0 JJAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1OC ZINC000009409058 555172795 /nfs/dbraw/zinc/17/27/95/555172795.db2.gz RMVCSXAIKYRUBO-SANMLTNESA-N 0 1 479.577 4.942 50 0 JJAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccc(Br)cc3)c2c1 ZINC000009421541 555187506 /nfs/dbraw/zinc/18/75/06/555187506.db2.gz ZHJPLPHHCAXNSU-QFIPXVFZSA-N 0 1 465.351 4.758 50 0 JJAAMN CCCCN(CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009432489 555201573 /nfs/dbraw/zinc/20/15/73/555201573.db2.gz XBGKNLSIKIWAAN-DNQXCXABSA-N 0 1 465.619 4.670 50 0 JJAAMN CCCCN(CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009432490 555201588 /nfs/dbraw/zinc/20/15/88/555201588.db2.gz XBGKNLSIKIWAAN-BJKOFHAPSA-N 0 1 465.619 4.670 50 0 JJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009446404 555219413 /nfs/dbraw/zinc/21/94/13/555219413.db2.gz HRPWPFCPVYJYJA-DEOSSOPVSA-N 0 1 460.921 4.893 50 0 JJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009465483 555239894 /nfs/dbraw/zinc/23/98/94/555239894.db2.gz SADQJNTWHDUEEC-UHFFFAOYSA-N 0 1 453.568 4.719 50 0 JJAAMN O=c1c(Cl)c(NC[C@@H](c2ccccc2)N2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000009471103 555254554 /nfs/dbraw/zinc/25/45/54/555254554.db2.gz VVUCCBINIWLZGW-SFHVURJKSA-N 0 1 463.891 4.549 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000009529543 555323684 /nfs/dbraw/zinc/32/36/84/555323684.db2.gz QBGYMGRGLZLYDW-UHFFFAOYSA-N 0 1 466.607 4.950 50 0 JJAAMN CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000009539486 555330886 /nfs/dbraw/zinc/33/08/86/555330886.db2.gz RMLMXURARMRXQA-UHFFFAOYSA-N 0 1 471.387 4.619 50 0 JJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572178 555368919 /nfs/dbraw/zinc/36/89/19/555368919.db2.gz KANRDAKEMUFBMI-UHFFFAOYSA-N 0 1 487.379 4.667 50 0 JJAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(CC)CC)n3)cc2)c1 ZINC000009572556 555369594 /nfs/dbraw/zinc/36/95/94/555369594.db2.gz VDWPABNGPGPURZ-UHFFFAOYSA-N 0 1 499.637 4.973 50 0 JJAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000009671256 555390252 /nfs/dbraw/zinc/39/02/52/555390252.db2.gz JOFPDDLZMPABHV-UHFFFAOYSA-N 0 1 487.622 4.521 50 0 JJAAMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000009712224 555436067 /nfs/dbraw/zinc/43/60/67/555436067.db2.gz MHJFEMQLVCJCDR-QHCPKHFHSA-N 0 1 456.546 4.708 50 0 JJAAMN Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 ZINC000009610061 555439723 /nfs/dbraw/zinc/43/97/23/555439723.db2.gz 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Cc1cccc2c1-c1sc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc1CO2 ZINC000009970088 555567493 /nfs/dbraw/zinc/56/74/93/555567493.db2.gz QOWRHCZNEJPUDV-UHFFFAOYSA-N 0 1 465.594 4.697 50 0 JJAAMN CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000010078574 555616410 /nfs/dbraw/zinc/61/64/10/555616410.db2.gz JHVRLDYVHVWNCB-UHFFFAOYSA-N 0 1 487.990 4.728 50 0 JJAAMN CCCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104174 555636265 /nfs/dbraw/zinc/63/62/65/555636265.db2.gz SRFRGBIIRYDEIG-NSOVKSMOSA-N 0 1 489.660 4.863 50 0 JJAAMN Cc1ncsc1CCCNC(=O)CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020119004 555655226 /nfs/dbraw/zinc/65/52/26/555655226.db2.gz PZBDIWGQYVQSOC-QHCPKHFHSA-N 0 1 453.583 4.665 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCCC2)cc1 ZINC000014079265 555681189 /nfs/dbraw/zinc/68/11/89/555681189.db2.gz QWEKDOQGZOYXAY-HHHXNRCGSA-N 0 1 481.600 4.900 50 0 JJAAMN CCc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c(-c3ccc(OC)c(OC)c3)[nH]2)cc1 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ZINC000015967915 556094173 /nfs/dbraw/zinc/09/41/73/556094173.db2.gz NWZOJQQDEHLRJJ-JITMLBNLSA-N 0 1 491.591 4.626 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1C ZINC000015981166 556099945 /nfs/dbraw/zinc/09/99/45/556099945.db2.gz QWZINQKVFITEDJ-UHFFFAOYSA-N 0 1 494.491 4.841 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016000233 556104539 /nfs/dbraw/zinc/10/45/39/556104539.db2.gz IANPEITYHOBCRU-XVOBZGQLSA-N 0 1 468.940 4.902 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000016000335 556104918 /nfs/dbraw/zinc/10/49/18/556104918.db2.gz ZKNBHWFVWAVUHP-YIPGRGJBSA-N 0 1 466.512 4.696 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000016000581 556105242 /nfs/dbraw/zinc/10/52/42/556105242.db2.gz GTXSJEFBMPBIQJ-XVOBZGQLSA-N 0 1 468.940 4.902 50 0 JJAAMN Cc1csc2nc(CN3CCN(Cc4ccc(-c5ccccc5Cl)s4)CC3)cc(=O)n12 ZINC000024831451 556158038 /nfs/dbraw/zinc/15/80/38/556158038.db2.gz LBDSWGWNDFNJKP-UHFFFAOYSA-N 0 1 471.051 4.764 50 0 JJAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000024960381 556165043 /nfs/dbraw/zinc/16/50/43/556165043.db2.gz REIORABTVMMIER-UHFFFAOYSA-N 0 1 470.913 4.922 50 0 JJAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012973811 556165459 /nfs/dbraw/zinc/16/54/59/556165459.db2.gz CWJIGILYGQCCKP-NRFANRHFSA-N 0 1 463.603 4.611 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000016960143 556190402 /nfs/dbraw/zinc/19/04/02/556190402.db2.gz ZCZZHKNFOVZVJV-UHFFFAOYSA-N 0 1 472.998 4.987 50 0 JJAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000017015363 556204344 /nfs/dbraw/zinc/20/43/44/556204344.db2.gz TUSIZAYFGRZUIH-YIXXDRMTSA-N 0 1 486.959 4.701 50 0 JJAAMN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000017041149 556208021 /nfs/dbraw/zinc/20/80/21/556208021.db2.gz JHIKWAGKFGAYTF-MUUNZHRXSA-N 0 1 469.585 4.724 50 0 JJAAMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000025358967 556210489 /nfs/dbraw/zinc/21/04/89/556210489.db2.gz KBXRCKQYGRZMIM-INIZCTEOSA-N 0 1 459.468 4.977 50 0 JJAAMN O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 ZINC000017178222 556233083 /nfs/dbraw/zinc/23/30/83/556233083.db2.gz DESUTBNCPYBIIV-UHFFFAOYSA-N 0 1 471.376 4.843 50 0 JJAAMN O=C(CCNC(=O)c1ccsc1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000026130040 556250114 /nfs/dbraw/zinc/25/01/14/556250114.db2.gz IELLFCQAIAVTHN-FQEVSTJZSA-N 0 1 472.492 4.669 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000017824516 556267679 /nfs/dbraw/zinc/26/76/79/556267679.db2.gz AIBHKCYLLCQTEJ-ZRBLBEILSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1cccc([C@@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)N2CCCC2)c1 ZINC000027341466 556276490 /nfs/dbraw/zinc/27/64/90/556276490.db2.gz NCGHNLSXDWYMOU-HSZRJFAPSA-N 0 1 472.676 4.896 50 0 JJAAMN Nc1cc(N)nc(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)n1 ZINC000013076077 556277847 /nfs/dbraw/zinc/27/78/47/556277847.db2.gz ICQZVIZKOBZAHP-FFPFKGOPSA-N 0 1 470.602 4.556 50 0 JJAAMN COc1ccccc1[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCC1 ZINC000027569995 556297900 /nfs/dbraw/zinc/29/79/00/556297900.db2.gz QMRWCEZPOXFXEK-FQEVSTJZSA-N 0 1 456.949 4.549 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000018192607 556301291 /nfs/dbraw/zinc/30/12/91/556301291.db2.gz ZYUISDLOMKBHPH-ZRBLBEILSA-N 0 1 493.357 4.817 50 0 JJAAMN CN(C)[C@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289677 556328031 /nfs/dbraw/zinc/32/80/31/556328031.db2.gz SBCJYQHFFGBGAZ-LJQANCHMSA-N 0 1 471.395 4.886 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCCCC2)cc1 ZINC000013120608 556333124 /nfs/dbraw/zinc/33/31/24/556333124.db2.gz GMDATYLXKQSNLD-MHZLTWQESA-N 0 1 454.574 4.991 50 0 JJAAMN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@H](c2cccs2)N(C)C)C1=O 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JJAAMN Cc1cccc(N2CCN(Cc3cccc(OCCCNC(=O)[C@@H]4CCOC(C)(C)C4)c3)CC2)c1C ZINC000055042198 569590563 /nfs/dbraw/zinc/59/05/63/569590563.db2.gz FEXHSILWBMMGFT-AREMUKBSSA-N 0 1 493.692 4.716 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 ZINC000057222915 569594798 /nfs/dbraw/zinc/59/47/98/569594798.db2.gz DZXVTCNIXNXSIK-UHFFFAOYSA-N 0 1 457.574 4.746 50 0 JJAAMN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000062613751 569613079 /nfs/dbraw/zinc/61/30/79/569613079.db2.gz WALPFQWHJIBYDN-UHFFFAOYSA-N 0 1 474.265 4.739 50 0 JJAAMN Cn1c2cc(NS(=O)(=O)c3cccc(F)c3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000064580879 569620678 /nfs/dbraw/zinc/62/06/78/569620678.db2.gz KZOUVEFRJLLPJS-UHFFFAOYSA-N 0 1 477.970 4.622 50 0 JJAAMN Cc1ccc(-c2nnc(SCC(=O)N3CCN(C4CCCCC4)CC3)n2-c2ccccc2)cc1 ZINC000033025705 569620693 /nfs/dbraw/zinc/62/06/93/569620693.db2.gz OENXLGDRANRYMW-UHFFFAOYSA-N 0 1 475.662 4.812 50 0 JJAAMN CCCOc1c2cc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)ccc2sc1C(=O)OC 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ZHJOEGCJBPQNKP-HXUWFJFHSA-N 0 1 461.528 4.697 50 0 JJAAMN Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034725697 569652803 /nfs/dbraw/zinc/65/28/03/569652803.db2.gz ZHJOEGCJBPQNKP-FQEVSTJZSA-N 0 1 461.528 4.697 50 0 JJAAMN Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737766 569654585 /nfs/dbraw/zinc/65/45/85/569654585.db2.gz JUAQQVGEXLZJNU-UHFFFAOYSA-N 0 1 471.529 4.906 50 0 JJAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063032 569656326 /nfs/dbraw/zinc/65/63/26/569656326.db2.gz DUHFWQFRIAVEJB-UHFFFAOYSA-N 0 1 491.592 4.546 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 ZINC000065096406 569660859 /nfs/dbraw/zinc/66/08/59/569660859.db2.gz CUKKUXAICVDMPW-UHFFFAOYSA-N 0 1 481.921 4.533 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)C3CCCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034814890 569662878 /nfs/dbraw/zinc/66/28/78/569662878.db2.gz XBXVLLQJVUBHRI-UHFFFAOYSA-N 0 1 465.686 4.888 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccc(CC)cc1 ZINC000034831217 569664071 /nfs/dbraw/zinc/66/40/71/569664071.db2.gz KNNYRFIODFKDFV-UHFFFAOYSA-N 0 1 459.638 4.547 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)c3cccs3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831298 569664194 /nfs/dbraw/zinc/66/41/94/569664194.db2.gz FXUAKNPFBQSCOO-UHFFFAOYSA-N 0 1 469.630 4.574 50 0 JJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccccc1 ZINC000034832058 569664488 /nfs/dbraw/zinc/66/44/88/569664488.db2.gz XNPTUEGDABWFAR-QFIPXVFZSA-N 0 1 491.655 4.832 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835024 569664872 /nfs/dbraw/zinc/66/48/72/569664872.db2.gz VWVQTQHXCFOICQ-JOCHJYFZSA-N 0 1 491.655 4.832 50 0 JJAAMN CCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034835202 569664898 /nfs/dbraw/zinc/66/48/98/569664898.db2.gz MWDUUOSJGVRXJH-UHFFFAOYSA-N 0 1 483.701 4.658 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccccc1OC ZINC000034835094 569664912 /nfs/dbraw/zinc/66/49/12/569664912.db2.gz YBROWFOWDUJDLK-JOCHJYFZSA-N 0 1 489.664 4.772 50 0 JJAAMN CCCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)CC(C)C ZINC000034835293 569664929 /nfs/dbraw/zinc/66/49/29/569664929.db2.gz FANBRKOOBZVADS-UHFFFAOYSA-N 0 1 471.665 4.889 50 0 JJAAMN CCCC[C@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034835157 569664980 /nfs/dbraw/zinc/66/49/80/569664980.db2.gz VAWWHYGNXIDBTG-VWLOTQADSA-N 0 1 497.728 4.904 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1F ZINC000034836463 569665741 /nfs/dbraw/zinc/66/57/41/569665741.db2.gz YVVXFODVCMJYNO-UHFFFAOYSA-N 0 1 453.581 4.623 50 0 JJAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3c(CC)noc3NC(C)=O)ccc2C)c1 ZINC000065116383 569666447 /nfs/dbraw/zinc/66/64/47/569666447.db2.gz SXWNCIFOIGLXOT-UHFFFAOYSA-N 0 1 487.578 4.769 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000065116222 569666452 /nfs/dbraw/zinc/66/64/52/569666452.db2.gz JLXPHTQEOJNFMT-UHFFFAOYSA-N 0 1 499.467 4.570 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(F)cc1)=N2 ZINC000035372615 569683097 /nfs/dbraw/zinc/68/30/97/569683097.db2.gz PLGDKPAKJBWKQF-UHFFFAOYSA-N 0 1 452.599 4.828 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccccc1)=N2 ZINC000035372852 569683385 /nfs/dbraw/zinc/68/33/85/569683385.db2.gz ZDEGGDICEZFHGO-UHFFFAOYSA-N 0 1 471.026 4.734 50 0 JJAAMN CCOC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286885 569684022 /nfs/dbraw/zinc/68/40/22/569684022.db2.gz GNJYSDORRLVGPJ-RUZDIDTESA-N 0 1 479.646 4.534 50 0 JJAAMN Cc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)c1 ZINC000035397182 569687812 /nfs/dbraw/zinc/68/78/12/569687812.db2.gz JTCLWYWJRXDCMF-UHFFFAOYSA-N 0 1 485.451 4.753 50 0 JJAAMN CSc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000071328660 569697087 /nfs/dbraw/zinc/69/70/87/569697087.db2.gz OUPIVYWHYQWYJO-JOCHJYFZSA-N 0 1 479.579 4.943 50 0 JJAAMN COc1ccc(CCOc2ccc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ncnc4[nH]cnc43)cc2)cc1 ZINC000072403280 569703730 /nfs/dbraw/zinc/70/37/30/569703730.db2.gz FUASGDQUUDSSDH-OAQYLSRUSA-N 0 1 495.543 4.601 50 0 JJAAMN CN1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1 ZINC000084727591 569709597 /nfs/dbraw/zinc/70/95/97/569709597.db2.gz KGBPLKOPSFDBOX-CJLVFECKSA-N 0 1 461.949 4.870 50 0 in-vitro JJAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651197 569713072 /nfs/dbraw/zinc/71/30/72/569713072.db2.gz XOBAVOHXMIFMAM-UHFFFAOYSA-N 0 1 491.542 4.792 50 0 JJAAMN COCCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000035840678 569713715 /nfs/dbraw/zinc/71/37/15/569713715.db2.gz BUEAYCXWXJEIFH-NDEPHWFRSA-N 0 1 464.650 4.860 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000035851498 569716401 /nfs/dbraw/zinc/71/64/01/569716401.db2.gz GFCNEFJUJNWCDF-AQWTWLKTSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872066 569719123 /nfs/dbraw/zinc/71/91/23/569719123.db2.gz ZUOSWMRSYAMCFH-XNMGPUDCSA-N 0 1 494.010 4.667 50 0 JJAAMN CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035907821 569723483 /nfs/dbraw/zinc/72/34/83/569723483.db2.gz FJFFUYYYIDLHJM-ISKFKSNPSA-N 0 1 459.556 4.731 50 0 JJAAMN COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc(=O)c3c(O)c(-c4ccc(OC)cc4)coc-3c21 ZINC000096222092 569739292 /nfs/dbraw/zinc/73/92/92/569739292.db2.gz ZOYDYUPXFAGNER-AWEZNQCLSA-N 0 1 490.493 4.684 50 0 biogenic JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092917 569756753 /nfs/dbraw/zinc/75/67/53/569756753.db2.gz QZYYJTASRLKQIG-IIDMSEBBSA-N 0 1 456.612 4.660 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036301499 569759007 /nfs/dbraw/zinc/75/90/07/569759007.db2.gz RGGDDBLDOGHKIX-RUZDIDTESA-N 0 1 471.601 4.931 50 0 JJAAMN CCCCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313801 569761256 /nfs/dbraw/zinc/76/12/56/569761256.db2.gz CJKYUTHMVSGJPQ-HSZRJFAPSA-N 0 1 497.636 4.514 50 0 JJAAMN CCCCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340600 569763961 /nfs/dbraw/zinc/76/39/61/569763961.db2.gz NYMVXPZALGNTJM-MHZLTWQESA-N 0 1 488.676 4.651 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341032 569764208 /nfs/dbraw/zinc/76/42/08/569764208.db2.gz MFHLALRIYKINJN-QHCPKHFHSA-N 0 1 455.986 4.767 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000100626319 569765849 /nfs/dbraw/zinc/76/58/49/569765849.db2.gz OVBRODNAMZDVAL-VXNXHJTFSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3sccc3C)C2)c1O ZINC000101495403 569800354 /nfs/dbraw/zinc/80/03/54/569800354.db2.gz KUAAUCQNGAZTNJ-HXUWFJFHSA-N 0 1 491.594 4.968 50 0 JJAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccc3F)CC2)n[nH]1 ZINC000038486477 569801446 /nfs/dbraw/zinc/80/14/46/569801446.db2.gz XUONPRFBBQUDCT-UHFFFAOYSA-N 0 1 465.529 4.749 50 0 JJAAMN Cc1nc(-c2ccc(C)cc2)sc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n[nH]1 ZINC000038486712 569801556 /nfs/dbraw/zinc/80/15/56/569801556.db2.gz ZDJCEHNXMWGWHQ-UHFFFAOYSA-N 0 1 461.566 4.919 50 0 JJAAMN CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546551 569803172 /nfs/dbraw/zinc/80/31/72/569803172.db2.gz JXSYCTXUTZSNGJ-XMMPIXPASA-N 0 1 483.634 4.900 50 0 JJAAMN CCc1cc([C@H](c2ccc(OC)cc2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546554 569803183 /nfs/dbraw/zinc/80/31/83/569803183.db2.gz VJYUKCUZSWELPX-DEOSSOPVSA-N 0 1 483.634 4.900 50 0 JJAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=Nc2ccccc2S[C@@H](c2ccc(O)cc2)C1 ZINC000101766725 569804846 /nfs/dbraw/zinc/80/48/46/569804846.db2.gz OSHDZICUJCRORW-OAQYLSRUSA-N 0 1 491.956 4.948 50 0 JJAAMN COc1cc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc(OC)c1OC ZINC000101827916 569805350 /nfs/dbraw/zinc/80/53/50/569805350.db2.gz NISPMHAATFEXSH-UHFFFAOYSA-N 0 1 498.539 4.714 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102707640 569816534 /nfs/dbraw/zinc/81/65/34/569816534.db2.gz PCGMEDOSPGFPJK-BHDDXSALSA-N 0 1 452.869 4.539 50 0 JJAAMN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102740817 569819164 /nfs/dbraw/zinc/81/91/64/569819164.db2.gz OVQNCXQGSUJJPI-ZONZVBGPSA-N 0 1 490.515 4.957 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000102764414 569822765 /nfs/dbraw/zinc/82/27/65/569822765.db2.gz YRLAJCYNFMQPET-DNVJHFABSA-N 0 1 493.357 4.817 50 0 JJAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(Cl)c2Cl)c1 ZINC000040284892 569823566 /nfs/dbraw/zinc/82/35/66/569823566.db2.gz KWINKALUJWNTJI-HXUWFJFHSA-N 0 1 459.333 4.991 50 0 JJAAMN Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc(=O)n2o1 ZINC000041089673 569837388 /nfs/dbraw/zinc/83/73/88/569837388.db2.gz NBFKPVSBBJHWBN-UHFFFAOYSA-N 0 1 496.397 4.996 50 0 JJAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983604 569848154 /nfs/dbraw/zinc/84/81/54/569848154.db2.gz OBJCWMGQDYCHLO-WOJBJXKFSA-N 0 1 479.404 4.693 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984502 569848461 /nfs/dbraw/zinc/84/84/61/569848461.db2.gz QHKWLNBGJNTFPS-FGZHOGPDSA-N 0 1 468.491 4.626 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983891 569848521 /nfs/dbraw/zinc/84/85/21/569848521.db2.gz XHCHISBQRNPHCJ-ISKFKSNPSA-N 0 1 472.944 4.645 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000137665946 569865201 /nfs/dbraw/zinc/86/52/01/569865201.db2.gz WBODFGCOJUDTNL-RBZQAINGSA-N 0 1 478.932 4.717 50 0 JJAAMN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000137818343 569865272 /nfs/dbraw/zinc/86/52/72/569865272.db2.gz OVQNCXQGSUJJPI-OYUWMTPXSA-N 0 1 490.515 4.957 50 0 JJAAMN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677580 569868748 /nfs/dbraw/zinc/86/87/48/569868748.db2.gz VJSJAAOSEDNDGH-UPVQGACJSA-N 0 1 477.546 4.870 50 0 JJAAMN COc1cccc(CN(C[C@@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677622 569868763 /nfs/dbraw/zinc/86/87/63/569868763.db2.gz RKFUDVIFDIWMRZ-BVAGGSTKSA-N 0 1 480.992 4.784 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000226838106 570038807 /nfs/dbraw/zinc/03/88/07/570038807.db2.gz HFMMCFRSDDRWCH-FQJHJXCSSA-N 0 1 470.475 4.527 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129860 570045462 /nfs/dbraw/zinc/04/54/62/570045462.db2.gz ZUOSWMRSYAMCFH-VPUSJEBWSA-N 0 1 494.010 4.667 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245310373 570063167 /nfs/dbraw/zinc/06/31/67/570063167.db2.gz IMVYVTQUFREZRA-UDFVPUEDSA-N 0 1 454.551 4.619 50 0 JJAAMN CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327086 570065171 /nfs/dbraw/zinc/06/51/71/570065171.db2.gz ISENYQZDMULMJQ-SIKLNZKXSA-N 0 1 465.059 4.635 50 0 JJAAMN COc1ccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)cc1 ZINC000247910032 570070953 /nfs/dbraw/zinc/07/09/53/570070953.db2.gz UEJPOJZNVUVWIU-DEOSSOPVSA-N 0 1 498.627 4.630 50 0 JJAAMN CC(C)n1c(CN2CCC[C@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000247992978 570072241 /nfs/dbraw/zinc/07/22/41/570072241.db2.gz LIFAAPZSWYHDRU-FQEVSTJZSA-N 0 1 498.046 4.971 50 0 JJAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1C ZINC000248001998 570072380 /nfs/dbraw/zinc/07/23/80/570072380.db2.gz OETHCXYFEIHOOE-XMMPIXPASA-N 0 1 473.665 4.795 50 0 JJAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4C(C)C)C3)CC2)c1C ZINC000248001998 570072381 /nfs/dbraw/zinc/07/23/81/570072381.db2.gz OETHCXYFEIHOOE-XMMPIXPASA-N 0 1 473.665 4.795 50 0 JJAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248033199 570073040 /nfs/dbraw/zinc/07/30/40/570073040.db2.gz YFIQNTVWYPJEKX-XMMPIXPASA-N 0 1 473.665 4.795 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000248081983 570073559 /nfs/dbraw/zinc/07/35/59/570073559.db2.gz JAHIGQHMHKOWAF-SANMLTNESA-N 0 1 496.655 4.973 50 0 JJAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248163903 570075865 /nfs/dbraw/zinc/07/58/65/570075865.db2.gz NFQSQMGKUXEMMV-XMMPIXPASA-N 0 1 473.665 4.740 50 0 JJAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248163903 570075866 /nfs/dbraw/zinc/07/58/66/570075866.db2.gz NFQSQMGKUXEMMV-XMMPIXPASA-N 0 1 473.665 4.740 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000252517684 570082941 /nfs/dbraw/zinc/08/29/41/570082941.db2.gz OOBUXIVCQHBQNR-GSTLAZBSSA-N 0 1 466.512 4.778 50 0 JJAAMN COc1ccc([C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c(O)cc(C)oc2=O)cc1O ZINC000253471343 570099263 /nfs/dbraw/zinc/09/92/63/570099263.db2.gz PWEKDJJCHQRYGM-AWEZNQCLSA-N 0 1 464.301 4.836 50 0 JJAAMN COc1ccc([C@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253471275 570099301 /nfs/dbraw/zinc/09/93/01/570099301.db2.gz OPFGQKVPCXTPJR-SFHVURJKSA-N 0 1 463.408 4.722 50 0 JJAAMN CCn1c(CN2CCC[C@@H](C(=O)N3CCN(c4ccccc4C(C)C)CC3)C2)nc2ccccc21 ZINC000253607486 570104337 /nfs/dbraw/zinc/10/43/37/570104337.db2.gz VCEOWCRVODJWQQ-HSZRJFAPSA-N 0 1 473.665 4.740 50 0 JJAAMN COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000001110660 194027151 /nfs/dbraw/zinc/02/71/51/194027151.db2.gz WRKKMMDQFYSSRT-UHFFFAOYSA-N 0 1 472.950 4.797 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccccc4)nc4ccccc43)cc2)n1 ZINC000001809203 194144435 /nfs/dbraw/zinc/14/44/35/194144435.db2.gz RNPLGXIQIRJORC-UHFFFAOYSA-N 0 1 468.542 4.940 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000003215530 194240611 /nfs/dbraw/zinc/24/06/11/194240611.db2.gz QIHBNRAVHCEDFT-UHFFFAOYSA-N 0 1 475.364 4.819 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1sc2cc(F)ccc2c1Cl ZINC000003262815 194255704 /nfs/dbraw/zinc/25/57/04/194255704.db2.gz RGJLSTPUDRJWNF-UHFFFAOYSA-N 0 1 462.915 4.537 50 0 JJAAMN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000003309567 194276297 /nfs/dbraw/zinc/27/62/97/194276297.db2.gz PHYFNZXLRIYJLM-UHFFFAOYSA-N 0 1 453.351 4.875 50 0 JJAAMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1 ZINC000003810247 194361617 /nfs/dbraw/zinc/36/16/17/194361617.db2.gz JARNORYOPMINDY-UHFFFAOYSA-N 0 1 485.628 4.897 50 0 in-vitro JJAAMN COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009220094 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ZINC000024970745 523600552 /nfs/dbraw/zinc/60/05/52/523600552.db2.gz GSDKOXOSGSWVQA-UHFFFAOYSA-N 0 1 495.439 4.911 50 0 JJAAMN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COCc3ccco3)C2)cc1 ZINC000036146649 523880070 /nfs/dbraw/zinc/88/00/70/523880070.db2.gz DGCCVKRRKORTGX-WIOPSUGQSA-N 0 1 484.980 4.515 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(C)cc2)cc1OC ZINC000012468483 523946126 /nfs/dbraw/zinc/94/61/26/523946126.db2.gz ZQBVVVIJDIVSKF-HHHXNRCGSA-N 0 1 469.541 4.896 50 0 JJAAMN COc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037571138 524023929 /nfs/dbraw/zinc/02/39/29/524023929.db2.gz IPYXXNGSNNASEX-UHFFFAOYSA-N 0 1 472.557 4.833 50 0 JJAAMN COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[nH]1 ZINC000016840441 524596767 /nfs/dbraw/zinc/59/67/67/524596767.db2.gz GANIKRPPSWULON-UHFFFAOYSA-N 0 1 470.601 4.553 50 0 JJAAMN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccc(OC)cc4[nH]3)cc2)cc1 ZINC000008759992 524635016 /nfs/dbraw/zinc/63/50/16/524635016.db2.gz APJKVSZZRAZCPA-UHFFFAOYSA-N 0 1 462.531 4.563 50 0 JJAAMN Cc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3o/c2=N\O)c1 ZINC000013896471 524661218 /nfs/dbraw/zinc/66/12/18/524661218.db2.gz DJDJYQDVZLIZOU-FXBPSFAMSA-N 0 1 452.102 4.808 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)cc1OC ZINC000046141360 524684993 /nfs/dbraw/zinc/68/49/93/524684993.db2.gz CASBBTTZNZECNO-UHFFFAOYSA-N 0 1 475.523 4.731 50 0 JJAAMN C[C@@H]1CCc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1 ZINC000019831818 524732381 /nfs/dbraw/zinc/73/23/81/524732381.db2.gz FGFIICWMBVSEEM-HXUWFJFHSA-N 0 1 460.647 4.614 50 0 JJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)c1 ZINC000033292725 524882026 /nfs/dbraw/zinc/88/20/26/524882026.db2.gz IKSNCGZMCARXAP-UHFFFAOYSA-N 0 1 468.506 4.868 50 0 JJAAMN Cc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022795392 524886401 /nfs/dbraw/zinc/88/64/01/524886401.db2.gz CBHWZMMGUDSOQS-HSZRJFAPSA-N 0 1 485.613 4.972 50 0 JJAAMN COc1ccc(Oc2c(CN(C[C@@H](O)COC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304609 524989268 /nfs/dbraw/zinc/98/92/68/524989268.db2.gz XENPGDFKKDCFEM-XMMPIXPASA-N 0 1 479.621 4.980 50 0 JJAAMN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)COc3ccccc3)n2)cc1Cl ZINC000036147830 525877627 /nfs/dbraw/zinc/87/76/27/525877627.db2.gz KLZZREUGUUWZRO-FQEVSTJZSA-N 0 1 467.953 4.776 50 0 JJAAMN Cc1c(S(=O)(=O)NCCN2CCC(C)CC2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008946 525885090 /nfs/dbraw/zinc/88/50/90/525885090.db2.gz WIPXMSKPSSJDAD-UHFFFAOYSA-N 0 1 493.098 4.788 50 0 JJAAMN Cc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000002913593 525894822 /nfs/dbraw/zinc/89/48/22/525894822.db2.gz POZHHAWFZZXLHF-UHFFFAOYSA-N 0 1 493.898 4.820 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146704 525922882 /nfs/dbraw/zinc/92/28/82/525922882.db2.gz RKFUDVIFDIWMRZ-OZXSUGGESA-N 0 1 480.992 4.784 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146343 525925332 /nfs/dbraw/zinc/92/53/32/525925332.db2.gz CAZSQENHHXTWGH-GMAHTHKFSA-N 0 1 461.002 4.520 50 0 JJAAMN COc1cccc(C[C@@H](C2CCN(C(=O)c3cc(CC(C)C)[nH]n3)CC2)N(C)C(=O)CC(C)C)c1 ZINC000012246260 526072360 /nfs/dbraw/zinc/07/23/60/526072360.db2.gz ZSUQNBOIRBDFIJ-SANMLTNESA-N 0 1 482.669 4.585 50 0 JJAAMN COc1cccc(C[C@H](C2CCN(Cc3ccc4nsnc4c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014994305 526079545 /nfs/dbraw/zinc/07/95/45/526079545.db2.gz HRZNOQJMOXUASE-RUZDIDTESA-N 0 1 490.629 4.888 50 0 JJAAMN CSc1ccccc1C(=O)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 ZINC000014973626 526150064 /nfs/dbraw/zinc/15/00/64/526150064.db2.gz JXYMWXXYGHAOPY-UHFFFAOYSA-N 0 1 473.642 4.766 50 0 JJAAMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000006146775 526213866 /nfs/dbraw/zinc/21/38/66/526213866.db2.gz XBDLIAMFDAPGOF-RCZVLFRGSA-N 0 1 493.604 4.691 50 0 JJAAMN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146691 526284991 /nfs/dbraw/zinc/28/49/91/526284991.db2.gz XHCHISBQRNPHCJ-UPVQGACJSA-N 0 1 472.944 4.645 50 0 JJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307670 526300277 /nfs/dbraw/zinc/30/02/77/526300277.db2.gz FGGDXORGTJLUKR-UHFFFAOYSA-N 0 1 493.054 4.695 50 0 JJAAMN Fc1ccc(CSc2nnc(C3CCN(Cc4ccncc4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000014984134 526345165 /nfs/dbraw/zinc/34/51/65/526345165.db2.gz SMRSIBDZFUBWRU-HSZRJFAPSA-N 0 1 467.614 4.663 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)no1)Nc1cc(F)cc(F)c1 ZINC000033270910 526650087 /nfs/dbraw/zinc/65/00/87/526650087.db2.gz BESBWOMMBLWPAS-UHFFFAOYSA-N 0 1 476.896 4.650 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)no1)Nc1ccccc1F ZINC000033270847 526650248 /nfs/dbraw/zinc/65/02/48/526650248.db2.gz CDHSCDYZIVBJJE-UHFFFAOYSA-N 0 1 458.906 4.511 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000033087455 526651807 /nfs/dbraw/zinc/65/18/07/526651807.db2.gz DHUMCBISVTVOQV-UHFFFAOYSA-N 0 1 484.541 4.883 50 0 JJAAMN O=C(CCc1nc2ccccc2s1)NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014981431 526654996 /nfs/dbraw/zinc/65/49/96/526654996.db2.gz CVGQSUHWESBASQ-DEOSSOPVSA-N 0 1 457.599 4.981 50 0 JJAAMN O=C(CN1CCCCC1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000014889161 526737512 /nfs/dbraw/zinc/73/75/12/526737512.db2.gz FWFVENOVHLEYIA-UHFFFAOYSA-N 0 1 461.581 4.857 50 0 JJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033299308 526860912 /nfs/dbraw/zinc/86/09/12/526860912.db2.gz XYTYEQBLIUBVMR-UHFFFAOYSA-N 0 1 490.960 4.630 50 0 JJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000033299311 526861739 /nfs/dbraw/zinc/86/17/39/526861739.db2.gz HZLMLBRCQKKJPE-UHFFFAOYSA-N 0 1 484.569 4.593 50 0 JJAAMN O=C(COc1cccc(F)c1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000015913335 526977011 /nfs/dbraw/zinc/97/70/11/526977011.db2.gz OXABFQWAZKFIFN-UHFFFAOYSA-N 0 1 469.321 4.951 50 0 JJAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000022792123 527017738 /nfs/dbraw/zinc/01/77/38/527017738.db2.gz DWFVYKKSQBKBJI-XMMPIXPASA-N 0 1 493.529 4.745 50 0 JJAAMN Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022804530 527055612 /nfs/dbraw/zinc/05/56/12/527055612.db2.gz RGMOWANXMIHYSD-UHFFFAOYSA-N 0 1 474.008 4.797 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000710976 553766716 /nfs/dbraw/zinc/76/67/16/553766716.db2.gz VDSHKNCTIOLKKQ-UHFFFAOYSA-N 0 1 461.337 4.511 50 0 JJAAMN Cc1ccc(-n2c3nc(SCC(=O)NCc4ccccc4)[nH]c(=O)c3sc2=S)c(C)c1 ZINC000002452447 554219593 /nfs/dbraw/zinc/21/95/93/554219593.db2.gz NFJBTDIRTLFTPW-UHFFFAOYSA-N 0 1 468.629 4.530 50 0 JJAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000002633577 554254592 /nfs/dbraw/zinc/25/45/92/554254592.db2.gz ADZCQDBITSGAQO-UHFFFAOYSA-N 0 1 455.285 4.650 50 0 JJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)n1 ZINC000002636987 554257611 /nfs/dbraw/zinc/25/76/11/554257611.db2.gz DGSNZIIYQDJPPH-MRXNPFEDSA-N 0 1 460.987 4.706 50 0 JJAAMN Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1 ZINC000002819978 554364190 /nfs/dbraw/zinc/36/41/90/554364190.db2.gz WKJURPXEWJJWGJ-UHFFFAOYSA-N 0 1 462.513 4.899 50 0 JJAAMN O=C(C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002975978 554415762 /nfs/dbraw/zinc/41/57/62/554415762.db2.gz KWMLNDBZZCRTCH-UHFFFAOYSA-N 0 1 497.064 4.868 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)cc3Cl)n2)cc1 ZINC000006645362 554557745 /nfs/dbraw/zinc/55/77/45/554557745.db2.gz RWTQHXFFWZLFFL-UHFFFAOYSA-N 0 1 453.749 4.627 50 0 JJAAMN CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCCOc1ccccc1 ZINC000008407809 554577110 /nfs/dbraw/zinc/57/71/10/554577110.db2.gz HAPUWEPEWAKNMY-VWLOTQADSA-N 0 1 458.514 4.516 50 0 JJAAMN CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCCOc1ccccc1 ZINC000008407813 554577159 /nfs/dbraw/zinc/57/71/59/554577159.db2.gz HAPUWEPEWAKNMY-RUZDIDTESA-N 0 1 458.514 4.516 50 0 JJAAMN CSc1cccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008826185 554715408 /nfs/dbraw/zinc/71/54/08/554715408.db2.gz VTMNPMHMKGBNBL-UHFFFAOYSA-N 0 1 490.990 4.658 50 0 JJAAMN O=C1CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc2N1Cc1ccccc1 ZINC000008840635 554740015 /nfs/dbraw/zinc/74/00/15/554740015.db2.gz ICXWLGHSZOOSAH-UHFFFAOYSA-N 0 1 471.376 4.729 50 0 JJAAMN CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1=O ZINC000008844343 554741320 /nfs/dbraw/zinc/74/13/20/554741320.db2.gz BJBSQKXFANWNEW-UHFFFAOYSA-N 0 1 493.611 4.601 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845381 554742272 /nfs/dbraw/zinc/74/22/72/554742272.db2.gz MQSKVQZGPJBXIB-QHCPKHFHSA-N 0 1 465.893 4.797 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)ccc1OCC(C)C ZINC000008845547 554743146 /nfs/dbraw/zinc/74/31/46/554743146.db2.gz SOFQARKGKMGMRD-WXTAPIANSA-N 0 1 477.561 4.550 50 0 JJAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(Br)c1OC ZINC000008923435 554820633 /nfs/dbraw/zinc/82/06/33/554820633.db2.gz WSUZAAXSJQWSDN-GOSISDBHSA-N 0 1 466.401 4.723 50 0 JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccc(F)c4)c2)N3)C1 ZINC000008928010 554825595 /nfs/dbraw/zinc/82/55/95/554825595.db2.gz OZPXNBIAPOZGQZ-NRFANRHFSA-N 0 1 451.523 4.913 50 0 JJAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 ZINC000008961517 554837918 /nfs/dbraw/zinc/83/79/18/554837918.db2.gz VXSYPPFEYFZNFZ-UHFFFAOYSA-N 0 1 452.532 4.749 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009009856 554863519 /nfs/dbraw/zinc/86/35/19/554863519.db2.gz IMVYVTQUFREZRA-ANNHOSHMSA-N 0 1 454.551 4.619 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@H]2c2ccc(F)cc2)cc1OC ZINC000009123823 554914417 /nfs/dbraw/zinc/91/44/17/554914417.db2.gz ZGCHKFLIEBVSLJ-AREMUKBSSA-N 0 1 491.494 4.866 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009124439 554915518 /nfs/dbraw/zinc/91/55/18/554915518.db2.gz STPYFRVDKLCLOA-VWLOTQADSA-N 0 1 454.530 4.938 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCSc3ccc(F)cc3)ccc2OC)cc1 ZINC000009130253 554929643 /nfs/dbraw/zinc/92/96/43/554929643.db2.gz PSSOTWXWAZNEHC-UHFFFAOYSA-N 0 1 490.578 4.765 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168340 554952361 /nfs/dbraw/zinc/95/23/61/554952361.db2.gz UTIDZPYCPJSVCZ-UHFFFAOYSA-N 0 1 460.596 4.602 50 0 JJAAMN COc1cc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)sc2cc1OC ZINC000009186840 554959101 /nfs/dbraw/zinc/95/91/01/554959101.db2.gz PWVBPJCEUSACDQ-UHFFFAOYSA-N 0 1 483.571 4.675 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009209690 554978828 /nfs/dbraw/zinc/97/88/28/554978828.db2.gz OMMNJJMKVVKANL-GFQWBHFJSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000009223623 554993781 /nfs/dbraw/zinc/99/37/81/554993781.db2.gz ONMJACGNCYQDIP-UHFFFAOYSA-N 0 1 497.599 4.561 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC)cc1 ZINC000009283023 555053286 /nfs/dbraw/zinc/05/32/86/555053286.db2.gz FGRMWYPPHHWIAB-UHFFFAOYSA-N 0 1 459.499 4.678 50 0 JJAAMN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000009310075 555085594 /nfs/dbraw/zinc/08/55/94/555085594.db2.gz GNEXEQXOBNDLIP-QGZVFWFLSA-N 0 1 451.542 4.765 50 0 JJAAMN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 ZINC000009336140 555103687 /nfs/dbraw/zinc/10/36/87/555103687.db2.gz KDDIVDIWIMUSOY-UHFFFAOYSA-N 0 1 468.608 4.677 50 0 JJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)N1CCCC1 ZINC000009356459 555121674 /nfs/dbraw/zinc/12/16/74/555121674.db2.gz GTFCURPDJMFGBU-UHFFFAOYSA-N 0 1 452.532 4.524 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SCc1ccccc1F ZINC000009378605 555140314 /nfs/dbraw/zinc/14/03/14/555140314.db2.gz ZGKGQFMUNRZGMQ-UHFFFAOYSA-N 0 1 494.573 4.961 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000009392115 555156472 /nfs/dbraw/zinc/15/64/72/555156472.db2.gz HAXNKFMBCFALTR-UHFFFAOYSA-N 0 1 488.569 4.977 50 0 JJAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402976 555160961 /nfs/dbraw/zinc/16/09/61/555160961.db2.gz QHAAJNXBRWTNOE-YADARESESA-N 0 1 483.659 4.813 50 0 JJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000009408935 555172014 /nfs/dbraw/zinc/17/20/14/555172014.db2.gz OWTKEYHXVHTMGD-WXTAPIANSA-N 0 1 477.561 4.694 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C ZINC000009408930 555172118 /nfs/dbraw/zinc/17/21/18/555172118.db2.gz COWOGRGYGLOMAN-PPHZAIPVSA-N 0 1 491.588 4.940 50 0 JJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Br)cc2)N1Cc1ccco1 ZINC000009408977 555172340 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COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 ZINC000015227808 555887554 /nfs/dbraw/zinc/88/75/54/555887554.db2.gz PVPULTQFQSEQBN-UHFFFAOYSA-N 0 1 465.560 4.525 50 0 JJAAMN Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012037125 555890080 /nfs/dbraw/zinc/89/00/80/555890080.db2.gz SZHXOPXNTHGDJC-QHCPKHFHSA-N 0 1 495.627 4.715 50 0 JJAAMN COc1ccc([C@@H](CC(=O)NC[C@@H]2CCCO2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000012080493 555903304 /nfs/dbraw/zinc/90/33/04/555903304.db2.gz PHQYEMLNGICAEI-VQTJNVASSA-N 0 1 472.998 4.652 50 0 JJAAMN COc1ccc([C@H](CC(=O)NC[C@@H]2CCCO2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000012080494 555903313 /nfs/dbraw/zinc/90/33/13/555903313.db2.gz PHQYEMLNGICAEI-PMACEKPBSA-N 0 1 472.998 4.652 50 0 JJAAMN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(Cc1ccccc1Cl)CC2 ZINC000012099574 555907069 /nfs/dbraw/zinc/90/70/69/555907069.db2.gz LAQKQPILOTZRJO-QHCPKHFHSA-N 0 1 453.026 4.807 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 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BUOPYUBLGUPTHX-UHFFFAOYSA-N 0 1 470.569 4.665 50 0 biogenic JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c(C)c(C)[nH]c43)ccc2OC)cc1 ZINC000012521096 555992302 /nfs/dbraw/zinc/99/23/02/555992302.db2.gz ULPLQKBCVUXJLB-UHFFFAOYSA-N 0 1 479.558 4.855 50 0 JJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774019 555992318 /nfs/dbraw/zinc/99/23/18/555992318.db2.gz XVGWRMZFNYXXKA-MHZLTWQESA-N 0 1 488.031 4.940 50 0 JJAAMN COc1cc(OC)nc([C@@H](c2ccccc2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022942068 555992551 /nfs/dbraw/zinc/99/25/51/555992551.db2.gz YLXKGQAYGGCJBX-GDLZYMKVSA-N 0 1 480.612 4.990 50 0 JJAAMN COc1cc(OC)nc([C@H](c2ccccc2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022942065 555992607 /nfs/dbraw/zinc/99/26/07/555992607.db2.gz YLXKGQAYGGCJBX-LJAQVGFWSA-N 0 1 480.612 4.990 50 0 JJAAMN CCN(CC)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccco1 ZINC000012528409 555996975 /nfs/dbraw/zinc/99/69/75/555996975.db2.gz UNJANYTYFGPBTG-QFIPXVFZSA-N 0 1 493.608 4.958 50 0 JJAAMN C[C@H]1CCn2c3ccc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3nc2C1 ZINC000015786925 556006357 /nfs/dbraw/zinc/00/63/57/556006357.db2.gz DSJOYUCYQFLSID-SFHVURJKSA-N 0 1 451.014 4.914 50 0 JJAAMN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)ccc1Br ZINC000012541615 556015893 /nfs/dbraw/zinc/01/58/93/556015893.db2.gz HQABTDZLWBTTFL-UHFFFAOYSA-N 0 1 461.385 4.543 50 0 JJAAMN Cc1csc(CN(C)[C@@H]2CCc3c(sc4ncn(Cc5cccc(Cl)c5)c(=O)c34)C2)n1 ZINC000023130115 556019307 /nfs/dbraw/zinc/01/93/07/556019307.db2.gz SMBSWNNOSAUBRY-QGZVFWFLSA-N 0 1 471.051 4.914 50 0 JJAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000023224742 556032346 /nfs/dbraw/zinc/03/23/46/556032346.db2.gz BVJOHWYSWUXNQA-QHCPKHFHSA-N 0 1 461.046 4.524 50 0 JJAAMN Cc1nc2ncnn2c(N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)c1Cc1ccccc1 ZINC000023459936 556071423 /nfs/dbraw/zinc/07/14/23/556071423.db2.gz ZOKPHHOVXPEBKF-UHFFFAOYSA-N 0 1 454.622 4.643 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016007426 556107884 /nfs/dbraw/zinc/10/78/84/556107884.db2.gz HFMMCFRSDDRWCH-XVOBZGQLSA-N 0 1 470.475 4.527 50 0 JJAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1O ZINC000012923621 556142202 /nfs/dbraw/zinc/14/22/02/556142202.db2.gz VGWOGMNICASKNL-UHFFFAOYSA-N 0 1 456.527 4.845 50 0 JJAAMN CCOc1ccccc1CNC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000025143477 556182522 /nfs/dbraw/zinc/18/25/22/556182522.db2.gz BQOSIBADEGUMLF-UHFFFAOYSA-N 0 1 480.612 4.886 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000016960145 556190387 /nfs/dbraw/zinc/19/03/87/556190387.db2.gz CQVIGCJLACTTIV-UHFFFAOYSA-N 0 1 456.951 4.742 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000016960147 556190494 /nfs/dbraw/zinc/19/04/94/556190494.db2.gz YAFYSRJEBIFAIX-UHFFFAOYSA-N 0 1 456.951 4.742 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2OC)cc1 ZINC000016971047 556192152 /nfs/dbraw/zinc/19/21/52/556192152.db2.gz JPXISGXIDCAXRE-UHFFFAOYSA-N 0 1 470.591 4.660 50 0 JJAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000017026551 556206531 /nfs/dbraw/zinc/20/65/31/556206531.db2.gz YGXYZVQHFBIMKR-UHFFFAOYSA-N 0 1 467.595 4.637 50 0 JJAAMN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000017041137 556207528 /nfs/dbraw/zinc/20/75/28/556207528.db2.gz UGBRRGHZQGITGH-GDLZYMKVSA-N 0 1 480.612 4.526 50 0 JJAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000017041127 556207538 /nfs/dbraw/zinc/20/75/38/556207538.db2.gz IPFONIWPBSZRIE-LJAQVGFWSA-N 0 1 480.612 4.526 50 0 JJAAMN COc1ccc(CN(CC(=O)Nc2ccccc2N2CCCC2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000013018605 556210565 /nfs/dbraw/zinc/21/05/65/556210565.db2.gz OAYFWBBZUXCTOV-FQEVSTJZSA-N 0 1 477.630 4.955 50 0 JJAAMN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[nH]2)n1 ZINC000017135718 556222537 /nfs/dbraw/zinc/22/25/37/556222537.db2.gz NKXIZSSXAMIYKN-UHFFFAOYSA-N 0 1 479.500 4.631 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3C)[nH]c2=O)cc1 ZINC000017271378 556249822 /nfs/dbraw/zinc/24/98/22/556249822.db2.gz HXTGITDXUKOVMF-UHFFFAOYSA-N 0 1 489.594 4.536 50 0 JJAAMN COC(=O)[C@@](NC(=O)c1cccc(OC)c1)(Nc1nc2ccc(C(C)C)cc2s1)C(F)(F)F ZINC000017838049 556268487 /nfs/dbraw/zinc/26/84/87/556268487.db2.gz ZVBJNBSLHFEGOW-OAQYLSRUSA-N 0 1 481.496 4.702 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000017967282 556273195 /nfs/dbraw/zinc/27/31/95/556273195.db2.gz MUXSDIFQXNKICF-VSKRKVRLSA-N 0 1 479.330 4.509 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccccc2Br)cc1 ZINC000027522833 556287140 /nfs/dbraw/zinc/28/71/40/556287140.db2.gz NFPDESKKCUHSEX-SFTDATJTSA-N 0 1 461.315 4.510 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)N2CCCCC2)cc1 ZINC000013108215 556305162 /nfs/dbraw/zinc/30/51/62/556305162.db2.gz XXGHHXALOFPHDM-DEOSSOPVSA-N 0 1 461.562 4.806 50 0 JJAAMN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028289888 556328014 /nfs/dbraw/zinc/32/80/14/556328014.db2.gz XUAAXHPVIUIHCF-QGZVFWFLSA-N 0 1 475.408 4.964 50 0 JJAAMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)CC3 ZINC000019372510 556347437 /nfs/dbraw/zinc/34/74/37/556347437.db2.gz DXBXGVNRKJWZRM-UHFFFAOYSA-N 0 1 478.640 4.768 50 0 JJAAMN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000029939415 556360458 /nfs/dbraw/zinc/36/04/58/556360458.db2.gz DTYNPUUAJNLONK-AAJFVQQISA-N 0 1 467.573 4.884 50 0 JJAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4cc(F)ccc42)CC3)cc1OC ZINC000031814160 556406839 /nfs/dbraw/zinc/40/68/39/556406839.db2.gz GBOKJPVBFOUHBW-QFIPXVFZSA-N 0 1 467.522 4.632 50 0 JJAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032074657 556413973 /nfs/dbraw/zinc/41/39/73/556413973.db2.gz ZVYOKGOTHDEVAS-LJQANCHMSA-N 0 1 497.315 4.682 50 0 JJAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032092255 556414748 /nfs/dbraw/zinc/41/47/48/556414748.db2.gz NARUUXFEGPTAAB-LJQANCHMSA-N 0 1 452.864 4.573 50 0 JJAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000032106375 556417973 /nfs/dbraw/zinc/41/79/73/556417973.db2.gz ZSJBEXXCVDTVCX-RUZDIDTESA-N 0 1 461.587 4.752 50 0 JJAAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000032593565 556447682 /nfs/dbraw/zinc/44/76/82/556447682.db2.gz ZXKCFKHVUIUUQF-HHHXNRCGSA-N 0 1 469.541 4.890 50 0 JJAAMN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Sc4nc(-c5cccs5)n[nH]4)c23)C1 ZINC000032855724 556512125 /nfs/dbraw/zinc/51/21/25/556512125.db2.gz BCZWEQDDOQGLLF-CYBMUJFWSA-N 0 1 484.676 4.646 50 0 JJAAMN Cc1ccc(-n2c3nc(SCC(=O)Nc4ccccc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000032948617 556564314 /nfs/dbraw/zinc/56/43/14/556564314.db2.gz MAXBJVFTKANHJA-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000032948596 556564408 /nfs/dbraw/zinc/56/44/08/556564408.db2.gz FBSWIRFWKFRHFN-UHFFFAOYSA-N 0 1 470.601 4.553 50 0 JJAAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)N=C(C)C2C(=O)OC)cc1 ZINC000008583944 562940524 /nfs/dbraw/zinc/94/05/24/562940524.db2.gz SPURACWMXDMKDS-XMMPIXPASA-N 0 1 460.534 4.519 50 0 JJAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000008584811 562940662 /nfs/dbraw/zinc/94/06/62/562940662.db2.gz FJJHSSCSMUBXDC-UHFFFAOYSA-N 0 1 468.395 4.941 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008595827 562944250 /nfs/dbraw/zinc/94/42/50/562944250.db2.gz IPKDRWNSVXFAHM-XMMPIXPASA-N 0 1 457.486 4.995 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595792 562944267 /nfs/dbraw/zinc/94/42/67/562944267.db2.gz GEOPKSGLHGUJHX-XMMPIXPASA-N 0 1 473.485 4.613 50 0 JJAAMN COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000037868061 563131126 /nfs/dbraw/zinc/13/11/26/563131126.db2.gz AWFJVVIOWBLACB-LJQANCHMSA-N 0 1 457.983 4.793 50 0 JJAAMN COc1ccc(-c2cc3ccc(OCCN4CCN(c5ccccc5)CC4)cc3oc2=O)cc1OC ZINC000054307069 569589961 /nfs/dbraw/zinc/58/99/61/569589961.db2.gz VFNYUMSBRPHYID-UHFFFAOYSA-N 0 1 486.568 4.678 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCSC)N[C@]12C(=O)Nc1c2cccc1Cl ZINC000057142816 569594625 /nfs/dbraw/zinc/59/46/25/569594625.db2.gz RYEKETHKBNLDFV-IEROGBPDSA-N 0 1 480.417 4.519 50 0 JJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000057222796 569594720 /nfs/dbraw/zinc/59/47/20/569594720.db2.gz GYVKTOAXLREVMB-UHFFFAOYSA-N 0 1 493.991 4.710 50 0 JJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000057222868 569594830 /nfs/dbraw/zinc/59/48/30/569594830.db2.gz ZTNKEVLJKGUGRZ-UHFFFAOYSA-N 0 1 487.600 4.835 50 0 JJAAMN COc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008725719 569600424 /nfs/dbraw/zinc/60/04/24/569600424.db2.gz GTNWKVVUXOYRAC-UHFFFAOYSA-N 0 1 478.542 4.895 50 0 JJAAMN O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000064557915 569618378 /nfs/dbraw/zinc/61/83/78/569618378.db2.gz ZHIJBXKTLBRYCQ-IBGZPJMESA-N 0 1 470.344 4.781 50 0 JJAAMN COc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000064557812 569618340 /nfs/dbraw/zinc/61/83/40/569618340.db2.gz SUPBSFFMJGOXCI-NRFANRHFSA-N 0 1 467.568 4.749 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000064557902 569618344 /nfs/dbraw/zinc/61/83/44/569618344.db2.gz YAFVAEAAXGTALL-QHCPKHFHSA-N 0 1 491.565 4.757 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064557896 569618361 /nfs/dbraw/zinc/61/83/61/569618361.db2.gz UZMJVYFSWYXONI-JOCHJYFZSA-N 0 1 477.538 4.503 50 0 JJAAMN O=C([O-])c1cc(N2CC[NH+](Cc3ccccc3F)CC2)ccc1NC(=O)c1ccccc1Cl ZINC000064589281 569620865 /nfs/dbraw/zinc/62/08/65/569620865.db2.gz HLQKWZFPLSDNLD-UHFFFAOYSA-N 0 1 467.928 4.752 50 0 JJAAMN Cc1ccn2c(=O)cc(CSc3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000033026263 569621205 /nfs/dbraw/zinc/62/12/05/569621205.db2.gz HQILSRVATNVPOC-UHFFFAOYSA-N 0 1 471.991 4.749 50 0 JJAAMN CCc1ccc(N2NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000033293773 569622438 /nfs/dbraw/zinc/62/24/38/569622438.db2.gz UNUQIJFRNGQDOU-HYARGMPZSA-N 0 1 462.933 4.951 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c(OC)c1 ZINC000064747780 569626143 /nfs/dbraw/zinc/62/61/43/569626143.db2.gz BGACYTUHOSTHNF-UHFFFAOYSA-N 0 1 451.504 4.530 50 0 JJAAMN COc1ccc(OC)c(NS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1 ZINC000064747794 569626180 /nfs/dbraw/zinc/62/61/80/569626180.db2.gz CDIVHXVIHJQPMN-UHFFFAOYSA-N 0 1 451.504 4.530 50 0 JJAAMN CC[C@H]1Cn2c(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816633 569633632 /nfs/dbraw/zinc/63/36/32/569633632.db2.gz VHABDQVNQZAETR-FQEVSTJZSA-N 0 1 485.003 4.547 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(Br)s2)cc1 ZINC000034145166 569639763 /nfs/dbraw/zinc/63/97/63/569639763.db2.gz YFSZAEZNBABLFF-OALUTQOASA-N 0 1 467.344 4.572 50 0 JJAAMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N(Cc3ccc(F)cc3F)C2)C1 ZINC000034669789 569640666 /nfs/dbraw/zinc/64/06/66/569640666.db2.gz UEPLITUZENKSFC-SGIRGMQISA-N 0 1 470.560 4.720 50 0 JJAAMN Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCC[N@@H+](Cc4ccoc4)CC3)nc2c1 ZINC000034707914 569650139 /nfs/dbraw/zinc/65/01/39/569650139.db2.gz MTCPEFHAGZXFIP-UHFFFAOYSA-N 0 1 464.982 4.965 50 0 JJAAMN CCCCCC(=O)N1CCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830325 569663926 /nfs/dbraw/zinc/66/39/26/569663926.db2.gz KHSPAIOCCREAAE-LVXARBLLSA-N 0 1 467.679 4.644 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)Cc1ccccc1F ZINC000034835948 569665049 /nfs/dbraw/zinc/66/50/49/569665049.db2.gz QWEIRTRZUDDGEA-UHFFFAOYSA-N 0 1 453.581 4.623 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000065116161 569666166 /nfs/dbraw/zinc/66/61/66/569666166.db2.gz XUSMYYKPUWTZLJ-UHFFFAOYSA-N 0 1 463.943 4.634 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3c(C)cccc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137481 569668330 /nfs/dbraw/zinc/66/83/30/569668330.db2.gz MDCDADSQYAVNQK-UHFFFAOYSA-N 0 1 472.636 4.501 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137496 569668383 /nfs/dbraw/zinc/66/83/83/569668383.db2.gz OENPQANBCUGIDO-UHFFFAOYSA-N 0 1 493.054 4.846 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137471 569668441 /nfs/dbraw/zinc/66/84/41/569668441.db2.gz UFQJIKAHHMTIEK-UHFFFAOYSA-N 0 1 479.027 4.537 50 0 JJAAMN COc1ccc(CCNC(=O)c2ccc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)cc2)cc1 ZINC000034915647 569671878 /nfs/dbraw/zinc/67/18/78/569671878.db2.gz GDURYOHYANYSBX-UHFFFAOYSA-N 0 1 453.542 4.832 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372768 569683343 /nfs/dbraw/zinc/68/33/43/569683343.db2.gz MPPXAXCUDJHKDM-UHFFFAOYSA-N 0 1 458.990 4.864 50 0 JJAAMN CC(C)c1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372669 569683068 /nfs/dbraw/zinc/68/30/68/569683068.db2.gz CUQFBFIXRLPPBO-UHFFFAOYSA-N 0 1 452.599 4.944 50 0 JJAAMN COCC(=O)Nc1ccc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422747 569692855 /nfs/dbraw/zinc/69/28/55/569692855.db2.gz KXICMIRQJQZBHW-AREMUKBSSA-N 0 1 493.991 4.535 50 0 JJAAMN CC(=O)Nc1ccc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422763 569692940 /nfs/dbraw/zinc/69/29/40/569692940.db2.gz ZAYJZSZPCPUWPZ-VWLOTQADSA-N 0 1 463.965 4.908 50 0 JJAAMN Cc1noc(CSc2ccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000070013299 569694739 /nfs/dbraw/zinc/69/47/39/569694739.db2.gz ZSAMMTOSGCELOR-UHFFFAOYSA-N 0 1 456.999 4.718 50 0 JJAAMN CCOCCC[N@@H+](C)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000035450870 569696720 /nfs/dbraw/zinc/69/67/20/569696720.db2.gz PQBFQUHDILKKIC-UHFFFAOYSA-N 0 1 474.001 4.618 50 0 JJAAMN Cn1nc(C(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c2c1-c1ccccc1SC2 ZINC000035534887 569701530 /nfs/dbraw/zinc/70/15/30/569701530.db2.gz JJCSSNNBOSTFTN-UHFFFAOYSA-N 0 1 467.038 4.988 50 0 JJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000072280449 569701713 /nfs/dbraw/zinc/70/17/13/569701713.db2.gz KAYSHVRBJJADMY-VWLOTQADSA-N 0 1 492.019 4.584 50 0 JJAAMN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000035539424 569702319 /nfs/dbraw/zinc/70/23/19/569702319.db2.gz SOYZJZRKOHNYTE-UHFFFAOYSA-N 0 1 454.371 4.856 50 0 JJAAMN CC(C)=CCN1C(=O)NC(=Cc2c(Cc3ccccc3C)[nH]n(-c3cccc(C)c3C)c2=O)C1=O ZINC000035829447 569712894 /nfs/dbraw/zinc/71/28/94/569712894.db2.gz GVAKRIGKOUYIMU-JLPGSUDCSA-N 0 1 470.573 4.953 50 0 JJAAMN CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000035836805 569713527 /nfs/dbraw/zinc/71/35/27/569713527.db2.gz XBLVBHTYZVMOKX-JAIQZWGSSA-N 0 1 471.344 4.848 50 0 JJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccccc3c2=O)cc1 ZINC000085875221 569715665 /nfs/dbraw/zinc/71/56/65/569715665.db2.gz GCKWCFLASNUINY-QGZVFWFLSA-N 0 1 482.444 4.722 50 0 biogenic JJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000085875580 569715924 /nfs/dbraw/zinc/71/59/24/569715924.db2.gz LZYUOQSKGUSALV-QGZVFWFLSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN CCCN1CCc2c(c(CN(C(=O)Cc3ccc(OC)cc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926209 569729643 /nfs/dbraw/zinc/72/96/43/569729643.db2.gz NTRZLIJIRJDSDZ-UHFFFAOYSA-N 0 1 474.649 4.937 50 0 JJAAMN Cc1cccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c43)c(=O)[nH]c12 ZINC000096115431 569734468 /nfs/dbraw/zinc/73/44/68/569734468.db2.gz CUBQHZDITWMCEI-QGZVFWFLSA-N 0 1 465.461 4.757 50 0 biogenic JJAAMN CCOC(=O)[C@@](Nc1ccccc1Cl)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000097949687 569746922 /nfs/dbraw/zinc/74/69/22/569746922.db2.gz NIQAFNSCKJJPDN-XLIONFOSSA-N 0 1 453.848 4.655 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249919 569758112 /nfs/dbraw/zinc/75/81/12/569758112.db2.gz NIGLWIRKIAXKQV-DEOSSOPVSA-N 0 1 451.611 4.894 50 0 JJAAMN CCCCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313648 569760872 /nfs/dbraw/zinc/76/08/72/569760872.db2.gz XWXGVNSXGMQUJN-QHCPKHFHSA-N 0 1 467.610 4.505 50 0 JJAAMN CCCCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313802 569761136 /nfs/dbraw/zinc/76/11/36/569761136.db2.gz CJKYUTHMVSGJPQ-QHCPKHFHSA-N 0 1 497.636 4.514 50 0 JJAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)COC(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340270 569763838 /nfs/dbraw/zinc/76/38/38/569763838.db2.gz UIVXCBIZPYABPI-VWLOTQADSA-N 0 1 495.067 4.604 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100628246 569765790 /nfs/dbraw/zinc/76/57/90/569765790.db2.gz IPPSRKGTQIMDNV-BDTNDASRSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100628253 569765814 /nfs/dbraw/zinc/76/58/14/569765814.db2.gz IPPSRKGTQIMDNV-FKBYEOEOSA-N 0 1 479.330 4.509 50 0 JJAAMN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344049 569766778 /nfs/dbraw/zinc/76/67/78/569766778.db2.gz LFAISJGGIPBSCK-RUZDIDTESA-N 0 1 465.594 4.512 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346104 569769057 /nfs/dbraw/zinc/76/90/57/569769057.db2.gz QGJMAYSCTSWGFY-QFIPXVFZSA-N 0 1 453.558 4.722 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COCC ZINC000036346614 569770411 /nfs/dbraw/zinc/77/04/11/569770411.db2.gz FWZPTXDDBYEBFN-OAQYLSRUSA-N 0 1 459.537 4.861 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346648 569770455 /nfs/dbraw/zinc/77/04/55/569770455.db2.gz FCNXEOXGCVEIPT-QFIPXVFZSA-N 0 1 459.537 4.859 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346714 569770654 /nfs/dbraw/zinc/77/06/54/569770654.db2.gz DJYICQZOZCXBFD-QFIPXVFZSA-N 0 1 459.537 4.859 50 0 JJAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C(C)C)cc2)C1 ZINC000036370446 569773355 /nfs/dbraw/zinc/77/33/55/569773355.db2.gz VKLMDXWHFCHUOJ-AZUAARDMSA-N 0 1 456.612 4.547 50 0 JJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000101034839 569780147 /nfs/dbraw/zinc/78/01/47/569780147.db2.gz FXRVZIUSXVMWPB-VSKRKVRLSA-N 0 1 485.323 4.759 50 0 JJAAMN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101101482 569782813 /nfs/dbraw/zinc/78/28/13/569782813.db2.gz OVQNCXQGSUJJPI-VJGNERBWSA-N 0 1 490.515 4.957 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000101226251 569787550 /nfs/dbraw/zinc/78/75/50/569787550.db2.gz YRLAJCYNFMQPET-ZRBLBEILSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000037572201 569795919 /nfs/dbraw/zinc/79/59/19/569795919.db2.gz ZEPQLHIORCRZDU-UHFFFAOYSA-N 0 1 450.604 4.864 50 0 JJAAMN COc1cccc(CN2CCC(N(c3cccc(OC)c3)S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000037570688 569795965 /nfs/dbraw/zinc/79/59/65/569795965.db2.gz IABKZMVLSWMEOK-UHFFFAOYSA-N 0 1 480.630 4.872 50 0 JJAAMN CCc1cc([C@@H](c2ccc(OC)cc2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546553 569803280 /nfs/dbraw/zinc/80/32/80/569803280.db2.gz VJYUKCUZSWELPX-XMMPIXPASA-N 0 1 483.634 4.900 50 0 JJAAMN CCc1cc([C@H](c2ccccc2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546530 569803286 /nfs/dbraw/zinc/80/32/86/569803286.db2.gz NVZCFBHEFKLEEC-QHCPKHFHSA-N 0 1 453.608 4.891 50 0 JJAAMN COc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4)nc4onc(C)c43)CC2)cc1 ZINC000040039605 569814614 /nfs/dbraw/zinc/81/46/14/569814614.db2.gz ZXHJLOVEGZPHCQ-UHFFFAOYSA-N 0 1 456.546 4.555 50 0 JJAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102663051 569815324 /nfs/dbraw/zinc/81/53/24/569815324.db2.gz ZBBNWERRMZMRTL-YPAWHYETSA-N 0 1 463.331 4.809 50 0 JJAAMN COc1ccc(C(=O)Nc2ncc(C)s2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000040105259 569816096 /nfs/dbraw/zinc/81/60/96/569816096.db2.gz ZYIDYWBNPDYPFH-UHFFFAOYSA-N 0 1 471.482 4.532 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102724198 569817512 /nfs/dbraw/zinc/81/75/12/569817512.db2.gz MUXSDIFQXNKICF-BHDDXSALSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000102761199 569822107 /nfs/dbraw/zinc/82/21/07/569822107.db2.gz VNERRIBWWMXGQO-YPAWHYETSA-N 0 1 497.320 4.648 50 0 JJAAMN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000040450399 569828325 /nfs/dbraw/zinc/82/83/25/569828325.db2.gz QNUBXDICKHRDLQ-UHFFFAOYSA-N 0 1 489.313 4.568 50 0 JJAAMN CC(C)c1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450469 569828585 /nfs/dbraw/zinc/82/85/85/569828585.db2.gz AICXZEITBQQYII-UHFFFAOYSA-N 0 1 463.397 4.672 50 0 JJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(Br)cc2C[C@@H]1C ZINC000040450678 569828982 /nfs/dbraw/zinc/82/89/82/569828982.db2.gz IUVZEICXQYZCQJ-ZDUSSCGKSA-N 0 1 451.386 4.671 50 0 JJAAMN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000104916518 569846924 /nfs/dbraw/zinc/84/69/24/569846924.db2.gz REIKCLCKTQUTHI-IRLDBZIGSA-N 0 1 463.931 4.501 50 0 JJAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983963 569848442 /nfs/dbraw/zinc/84/84/42/569848442.db2.gz CNPGBJQSGNXOQF-CLJLJLNGSA-N 0 1 466.528 4.538 50 0 JJAAMN C[C@@H](NCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000049586938 569849104 /nfs/dbraw/zinc/84/91/04/569849104.db2.gz YMNBBAOXHVVUIE-FVFHPELPSA-N 0 1 450.579 4.699 50 0 JJAAMN Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000105002752 569849200 /nfs/dbraw/zinc/84/92/00/569849200.db2.gz QJWASZDUTMMKQO-IGKIAQTJSA-N 0 1 492.685 4.875 50 0 JJAAMN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000105003929 569849531 /nfs/dbraw/zinc/84/95/31/569849531.db2.gz KSMMBAGXRONPML-IGKIAQTJSA-N 0 1 492.685 4.875 50 0 JJAAMN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000106021767 569853787 /nfs/dbraw/zinc/85/37/87/569853787.db2.gz GMFSZWFKYGVOPH-VHOQWXFLSA-N 0 1 486.955 4.977 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000143599516 569867645 /nfs/dbraw/zinc/86/76/45/569867645.db2.gz RMYQZKPQVRPYLQ-RBZQAINGSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677633 569868769 /nfs/dbraw/zinc/86/87/69/569868769.db2.gz ZUOSWMRSYAMCFH-AHKZPQOWSA-N 0 1 494.010 4.667 50 0 JJAAMN COc1ccc(-c2noc([C@H](NS(=O)(=O)c3cc(Cl)ccc3Cl)C(C)C)n2)cc1 ZINC000227156399 570040104 /nfs/dbraw/zinc/04/01/04/570040104.db2.gz BCLSEHIOIITPAX-QGZVFWFLSA-N 0 1 456.351 4.728 50 0 JJAAMN COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000230128891 570045189 /nfs/dbraw/zinc/04/51/89/570045189.db2.gz IBVKZEOQOOGUOU-IAPPQJPRSA-N 0 1 490.047 4.571 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000230128891 570045190 /nfs/dbraw/zinc/04/51/90/570045190.db2.gz IBVKZEOQOOGUOU-IAPPQJPRSA-N 0 1 490.047 4.571 50 0 JJAAMN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000230128309 570045225 /nfs/dbraw/zinc/04/52/25/570045225.db2.gz REIKCLCKTQUTHI-IFMALSPDSA-N 0 1 463.931 4.501 50 0 JJAAMN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000230128309 570045226 /nfs/dbraw/zinc/04/52/26/570045226.db2.gz REIKCLCKTQUTHI-IFMALSPDSA-N 0 1 463.931 4.501 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000230129867 570045510 /nfs/dbraw/zinc/04/55/10/570045510.db2.gz QJGVQPAASSNLOY-IGKIAQTJSA-N 0 1 494.010 4.667 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000230138058 570045966 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O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000020428672 527265442 /nfs/dbraw/zinc/26/54/42/527265442.db2.gz DKIKFLHUYOXPCI-UHFFFAOYSA-N 0 1 463.858 4.922 50 0 JJAAMN O=C(Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21)NCc1cccc(Cl)c1 ZINC000021707539 527364291 /nfs/dbraw/zinc/36/42/91/527364291.db2.gz JWDIAWLELCMEKF-UHFFFAOYSA-N 0 1 463.969 4.647 50 0 JJAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611172 527668100 /nfs/dbraw/zinc/66/81/00/527668100.db2.gz KNGXDMGNWUBXJG-UHFFFAOYSA-N 0 1 468.601 4.555 50 0 JJAAMN O[C@@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020440859 527680490 /nfs/dbraw/zinc/68/04/90/527680490.db2.gz GKWKQOZLNYGLLH-DQEYMECFSA-N 0 1 452.392 4.801 50 0 JJAAMN Cc1nc[nH]c1-c1nnc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2 ZINC000000702159 553760773 /nfs/dbraw/zinc/76/07/73/553760773.db2.gz KHBFLQOLIZAPAZ-UHFFFAOYSA-N 0 1 453.731 4.733 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000000751873 553777133 /nfs/dbraw/zinc/77/71/33/553777133.db2.gz HHCFIDWPCVYZPS-UHFFFAOYSA-N 0 1 469.588 4.660 50 0 JJAAMN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000935607 553873322 /nfs/dbraw/zinc/87/33/22/553873322.db2.gz NVGPJDJNKPTLHN-LJQANCHMSA-N 0 1 473.554 4.955 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)n1 ZINC000000945482 553878862 /nfs/dbraw/zinc/87/88/62/553878862.db2.gz PKPVLPDTBOERID-UHFFFAOYSA-N 0 1 460.515 4.630 50 0 JJAAMN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001413167 553967212 /nfs/dbraw/zinc/96/72/12/553967212.db2.gz UQJFWJINYDZNSO-VWLOTQADSA-N 0 1 497.526 4.715 50 0 JJAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000002226284 554103547 /nfs/dbraw/zinc/10/35/47/554103547.db2.gz GKAFEOYFRPXNRV-VWLOTQADSA-N 0 1 490.947 4.989 50 0 JJAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000002704491 554294918 /nfs/dbraw/zinc/29/49/18/554294918.db2.gz MMDNOBZRBXUGLK-UHFFFAOYSA-N 0 1 464.547 4.818 50 0 JJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)o1 ZINC000002753312 554327189 /nfs/dbraw/zinc/32/71/89/554327189.db2.gz XKUVMVUMFQODRE-UHFFFAOYSA-N 0 1 485.525 4.646 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)n1 ZINC000002755981 554328427 /nfs/dbraw/zinc/32/84/27/554328427.db2.gz ZQTFUMYAIJYPKZ-UHFFFAOYSA-N 0 1 495.388 4.690 50 0 JJAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002853691 554381644 /nfs/dbraw/zinc/38/16/44/554381644.db2.gz OLHCLCBAHCITQB-UHFFFAOYSA-N 0 1 491.598 4.665 50 0 JJAAMN COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973895 554415004 /nfs/dbraw/zinc/41/50/04/554415004.db2.gz VRBWQBPDDDGUMH-UHFFFAOYSA-N 0 1 490.423 4.707 50 0 JJAAMN COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(C[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000006182428 554515946 /nfs/dbraw/zinc/51/59/46/554515946.db2.gz CKGBVGARWOIDGL-HOTGVXAUSA-N 0 1 461.609 4.709 50 0 JJAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006492013 554546383 /nfs/dbraw/zinc/54/63/83/554546383.db2.gz AUOKPDKXOGXSPD-UHFFFAOYSA-N 0 1 478.983 4.605 50 0 JJAAMN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CCC(=O)NCCc3cnc[nH]3)c(=O)oc12 ZINC000008764676 554665105 /nfs/dbraw/zinc/66/51/05/554665105.db2.gz YMEFQIWAPIQSCA-UHFFFAOYSA-N 0 1 455.514 4.838 50 0 biogenic JJAAMN COC(=O)C1=C(CSc2ccc(Br)cc2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008815954 554697571 /nfs/dbraw/zinc/69/75/71/554697571.db2.gz OPVUIONWLHNFIC-IBGZPJMESA-N 0 1 461.381 4.639 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000008845434 554742518 /nfs/dbraw/zinc/74/25/18/554742518.db2.gz OQNVRMZWLIMWPN-SANMLTNESA-N 0 1 470.529 4.720 50 0 JJAAMN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)cc2)cc1 ZINC000008898680 554789412 /nfs/dbraw/zinc/78/94/12/554789412.db2.gz VNVSGFAGIRDXMG-UHFFFAOYSA-N 0 1 465.560 4.525 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(cc(F)cc3F)s2)cc1 ZINC000008956188 554837011 /nfs/dbraw/zinc/83/70/11/554837011.db2.gz BZSQFUPOKPMBRY-UHFFFAOYSA-N 0 1 459.499 4.936 50 0 JJAAMN COc1ccc(C)c2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000008956105 554837046 /nfs/dbraw/zinc/83/70/46/554837046.db2.gz GUDUBQLUNXFWHY-UHFFFAOYSA-N 0 1 467.572 4.975 50 0 JJAAMN COc1cccc(C(O)=C2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000008964780 554838650 /nfs/dbraw/zinc/83/86/50/554838650.db2.gz GXAWIIILIMEWMN-YIPGRGJBSA-N 0 1 498.966 4.911 50 0 biogenic JJAAMN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009076532 554887815 /nfs/dbraw/zinc/88/78/15/554887815.db2.gz DUVPNUZDFBABIG-CAFXQFFASA-N 0 1 466.537 4.868 50 0 JJAAMN CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009076532 554887818 /nfs/dbraw/zinc/88/78/18/554887818.db2.gz DUVPNUZDFBABIG-CAFXQFFASA-N 0 1 466.537 4.868 50 0 JJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000009339502 555108182 /nfs/dbraw/zinc/10/81/82/555108182.db2.gz HKGPQLPKZMKJEP-UHFFFAOYSA-N 0 1 481.393 4.962 50 0 JJAAMN CC(=O)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000009357688 555122555 /nfs/dbraw/zinc/12/25/55/555122555.db2.gz ZYBODWLMECZACX-MEWSVHOLSA-N 0 1 468.940 4.902 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C ZINC000009408931 555172052 /nfs/dbraw/zinc/17/20/52/555172052.db2.gz COWOGRGYGLOMAN-XHCCPWGMSA-N 0 1 491.588 4.940 50 0 JJAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009409048 555172768 /nfs/dbraw/zinc/17/27/68/555172768.db2.gz DMNPHSCVLHNXMH-SANMLTNESA-N 0 1 479.577 4.798 50 0 JJAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009409076 555172806 /nfs/dbraw/zinc/17/28/06/555172806.db2.gz FECROXDBDFPZRI-MHZLTWQESA-N 0 1 469.541 4.943 50 0 JJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009409148 555173102 /nfs/dbraw/zinc/17/31/02/555173102.db2.gz IGMJAGZUBYIFEL-SANMLTNESA-N 0 1 455.514 4.587 50 0 JJAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1OCC ZINC000009409217 555173638 /nfs/dbraw/zinc/17/36/38/555173638.db2.gz ZUYZKPAYBYOCLM-AREMUKBSSA-N 0 1 479.577 4.678 50 0 JJAAMN CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(c1ccc(Br)cc1)C2=O ZINC000009430906 555199434 /nfs/dbraw/zinc/19/94/34/555199434.db2.gz KLCFPVBXUQOYQC-HSZRJFAPSA-N 0 1 464.319 4.704 50 0 JJAAMN COc1ccc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1OC ZINC000009434295 555205348 /nfs/dbraw/zinc/20/53/48/555205348.db2.gz CDXPYTCUFGJIPR-UHFFFAOYSA-N 0 1 453.564 4.521 50 0 JJAAMN Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N ZINC000009448412 555221184 /nfs/dbraw/zinc/22/11/84/555221184.db2.gz WIRZCKMYUAGNOW-UHFFFAOYSA-N 0 1 482.013 4.865 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000009467939 555246229 /nfs/dbraw/zinc/24/62/29/555246229.db2.gz NVNAGTREENCNHK-UHFFFAOYSA-N 0 1 481.357 4.690 50 0 JJAAMN CC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000009490549 555266297 /nfs/dbraw/zinc/26/62/97/555266297.db2.gz ZQRIXVSUAWGQOU-FQEVSTJZSA-N 0 1 495.645 4.881 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000009529541 555323712 /nfs/dbraw/zinc/32/37/12/555323712.db2.gz ZUTMNGFRFULMMS-UHFFFAOYSA-N 0 1 472.998 4.987 50 0 JJAAMN COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000009539463 555330837 /nfs/dbraw/zinc/33/08/37/555330837.db2.gz WUSGPNMISFHFMF-UHFFFAOYSA-N 0 1 474.966 4.784 50 0 JJAAMN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000009546033 555340012 /nfs/dbraw/zinc/34/00/12/555340012.db2.gz WXSQZKBEHUJMCC-UHFFFAOYSA-N 0 1 487.434 4.631 50 0 JJAAMN COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009546176 555340418 /nfs/dbraw/zinc/34/04/18/555340418.db2.gz AAPMTVSKBZTIIK-UHFFFAOYSA-N 0 1 495.340 4.784 50 0 JJAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(N4CCC(C)CC4)cc3)c2)on1 ZINC000009638057 555346161 /nfs/dbraw/zinc/34/61/61/555346161.db2.gz VSAHHFPBHZICID-UHFFFAOYSA-N 0 1 499.589 4.564 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n2)cc1 ZINC000009647711 555361604 /nfs/dbraw/zinc/36/16/04/555361604.db2.gz ABLWHJYAKNNCIT-OAQYLSRUSA-N 0 1 458.543 4.739 50 0 JJAAMN CCOc1ccccc1NC(=O)Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21 ZINC000013353766 555381937 /nfs/dbraw/zinc/38/19/37/555381937.db2.gz XGMHCFNSBFXWME-UHFFFAOYSA-N 0 1 459.550 4.715 50 0 JJAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009707413 555430275 /nfs/dbraw/zinc/43/02/75/555430275.db2.gz ZALHPVOMVNJWFO-UHFFFAOYSA-N 0 1 459.449 4.514 50 0 JJAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000013522789 555486440 /nfs/dbraw/zinc/48/64/40/555486440.db2.gz SMOSGPOWFOZIMU-UHFFFAOYSA-N 0 1 496.610 4.864 50 0 JJAAMN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)NCCc3cnc[nH]3)c(=O)oc12 ZINC000013548332 555490303 /nfs/dbraw/zinc/49/03/03/555490303.db2.gz RZRDYTPBNSUIFW-UHFFFAOYSA-N 0 1 459.477 4.587 50 0 JJAAMN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCc2nc[nH]c2C1)occ3-c1ccccc1 ZINC000013553109 555493210 /nfs/dbraw/zinc/49/32/10/555493210.db2.gz UHYDAPZUWSUILJ-UHFFFAOYSA-N 0 1 453.498 4.755 50 0 biogenic JJAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000009778183 555496850 /nfs/dbraw/zinc/49/68/50/555496850.db2.gz MTNXLFNFYPKENT-DHIUTWEWSA-N 0 1 476.916 4.500 50 0 JJAAMN COc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCc1ccc(Br)cc1 ZINC000010059074 555609132 /nfs/dbraw/zinc/60/91/32/555609132.db2.gz UHZPJDUYGINEOT-NRFANRHFSA-N 0 1 478.350 4.674 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000013896595 555643726 /nfs/dbraw/zinc/64/37/26/555643726.db2.gz LOWYUZGXLOYWKY-UHFFFAOYSA-N 0 1 499.592 4.978 50 0 JJAAMN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000013960542 555663823 /nfs/dbraw/zinc/66/38/23/555663823.db2.gz WHGRZLYSJYUADE-AREMUKBSSA-N 0 1 461.606 4.545 50 0 JJAAMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nc(-c3ccccc3)n[nH]1)CC2 ZINC000014094997 555687373 /nfs/dbraw/zinc/68/73/73/555687373.db2.gz NBJFYFYDVZSGSU-VWLOTQADSA-N 0 1 486.597 4.755 50 0 JJAAMN CCOC(=O)C1C(CN2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214594 555710162 /nfs/dbraw/zinc/71/01/62/555710162.db2.gz HMIFGEBAMWSFOP-BKMJKUGQSA-N 0 1 477.605 4.525 50 0 JJAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCCC4=CCCCC4)CC3)c(C)o2)cc1OC ZINC000020240697 555736217 /nfs/dbraw/zinc/73/62/17/555736217.db2.gz OQNZRQSKSQNDPF-UHFFFAOYSA-N 0 1 467.610 4.886 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCc3nc4ccccc4c(=O)n3Cc3ccccc3)n2)cc1 ZINC000014231219 555737329 /nfs/dbraw/zinc/73/73/29/555737329.db2.gz VCTGDHLEYCPJMF-UHFFFAOYSA-N 0 1 455.543 4.531 50 0 JJAAMN Cc1sc2nc(CN3CCC(C)CC3)nc(Sc3nc(-c4ccncc4)n[nH]3)c2c1C ZINC000014252944 555754987 /nfs/dbraw/zinc/75/49/87/555754987.db2.gz PDQBMRYXZFQBKC-UHFFFAOYSA-N 0 1 451.625 4.871 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)N[C@H]5CCCC[C@H]5C)cc4)c3=O)c2c1 ZINC000020331215 555776187 /nfs/dbraw/zinc/77/61/87/555776187.db2.gz IFFGDXNPKRACRW-QRWLVFNGSA-N 0 1 476.602 4.906 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000020331316 555776589 /nfs/dbraw/zinc/77/65/89/555776589.db2.gz YIBDCODOVZXEQB-HNNXBMFYSA-N 0 1 450.564 4.597 50 0 JJAAMN Fc1ccc(-c2nnc3ccc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nn32)cc1 ZINC000020355791 555784462 /nfs/dbraw/zinc/78/44/62/555784462.db2.gz DHUNHNKQBPCBJX-UHFFFAOYSA-N 0 1 464.548 4.842 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)N2CCCC2)c1 ZINC000011563444 555787595 /nfs/dbraw/zinc/78/75/95/555787595.db2.gz FLXVHRWLGDYPCH-VWLOTQADSA-N 0 1 468.557 4.979 50 0 JJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12 ZINC000020574584 555829046 /nfs/dbraw/zinc/82/90/46/555829046.db2.gz ZANIPQLQIJRQIW-UHFFFAOYSA-N 0 1 454.372 4.702 50 0 JJAAMN COc1cccc(CN2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)c1OC ZINC000011841376 555833868 /nfs/dbraw/zinc/83/38/68/555833868.db2.gz VNUVPGZGJDXCQC-XMMPIXPASA-N 0 1 462.634 4.934 50 0 JJAAMN Cc1cccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3)C[C@@H]2C)c1 ZINC000020644514 555846473 /nfs/dbraw/zinc/84/64/73/555846473.db2.gz OMWGUADJCRBZDS-HWELCPFYSA-N 0 1 490.673 4.911 50 0 JJAAMN COc1cccc(CN2CCC3(C[C@@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)c1OC ZINC000011909815 555856773 /nfs/dbraw/zinc/85/67/73/555856773.db2.gz WDSMAIUJADOFCT-LJQANCHMSA-N 0 1 451.592 4.863 50 0 JJAAMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000015022352 555864086 /nfs/dbraw/zinc/86/40/86/555864086.db2.gz LXRCRGPDHUKWEN-HUUCEWRRSA-N 0 1 451.386 4.653 50 0 JJAAMN Cc1cnc(-n2ncc(C(=O)N3CCN(C4CCCC4)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000015071416 555870504 /nfs/dbraw/zinc/87/05/04/555870504.db2.gz JBVNIBBVSJYULE-UHFFFAOYSA-N 0 1 476.600 4.601 50 0 JJAAMN COc1ccc([C@@H](CC(=O)NCc2cccnc2)Sc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000012139659 555915855 /nfs/dbraw/zinc/91/58/55/555915855.db2.gz OCOUJSKKDLODMJ-OAQYLSRUSA-N 0 1 463.538 4.554 50 0 JJAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012151374 555924153 /nfs/dbraw/zinc/92/41/53/555924153.db2.gz XRJSSGZSOVYIQH-PMERELPUSA-N 0 1 484.644 4.976 50 0 JJAAMN Cc1cccc2nc(CCNC(=O)CC[C@@]3(Cc4ccc(-c5ccccc5)cc4)CCC(=O)N3)[nH]c21 ZINC000012241113 555945196 /nfs/dbraw/zinc/94/51/96/555945196.db2.gz BQQOHQWXEAOTFK-PMERELPUSA-N 0 1 480.612 4.869 50 0 JJAAMN COc1ccccc1N1CCN(CCCCNC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000012369311 555961246 /nfs/dbraw/zinc/96/12/46/555961246.db2.gz JUJHNQGTDGBXGB-UHFFFAOYSA-N 0 1 467.466 4.891 50 0 JJAAMN O=C1c2ccccc2C(=O)N1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022925328 555977304 /nfs/dbraw/zinc/97/73/04/555977304.db2.gz VRTWWPINGHHZRQ-UHFFFAOYSA-N 0 1 489.566 4.748 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1 ZINC000012521111 555992314 /nfs/dbraw/zinc/99/23/14/555992314.db2.gz ZNDXHNFTCSPKKF-UHFFFAOYSA-N 0 1 465.531 4.552 50 0 JJAAMN CCc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000023118995 556012596 /nfs/dbraw/zinc/01/25/96/556012596.db2.gz CBDUQCMHQBPUEY-UHFFFAOYSA-N 0 1 454.602 4.798 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3nccn3C(F)F)nc2c1 ZINC000012540865 556014662 /nfs/dbraw/zinc/01/46/62/556014662.db2.gz BVPNZWAIBGUAKI-UHFFFAOYSA-N 0 1 466.491 4.521 50 0 JJAAMN COc1cccc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000015862013 556034534 /nfs/dbraw/zinc/03/45/34/556034534.db2.gz AHVUZRDMFNTINU-UHFFFAOYSA-N 0 1 467.572 4.975 50 0 JJAAMN CCCCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000012557130 556044216 /nfs/dbraw/zinc/04/42/16/556044216.db2.gz GQBPWKMFYKUDJB-UHFFFAOYSA-N 0 1 469.401 4.521 50 0 JJAAMN CCn1c(CCc2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)nc2ccccc21 ZINC000015870466 556049989 /nfs/dbraw/zinc/04/99/89/556049989.db2.gz DUJURENGKZDYLQ-UHFFFAOYSA-N 0 1 465.575 4.659 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1C ZINC000012560886 556053295 /nfs/dbraw/zinc/05/32/95/556053295.db2.gz IWUFVMWTANFOBP-MRXNPFEDSA-N 0 1 456.589 4.625 50 0 JJAAMN COC(=O)C1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)[nH]n3)cc2)CC1 ZINC000023428309 556054757 /nfs/dbraw/zinc/05/47/57/556054757.db2.gz OYKWQFCCQWAEEP-UHFFFAOYSA-N 0 1 472.589 4.759 50 0 JJAAMN COc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015900813 556062369 /nfs/dbraw/zinc/06/23/69/556062369.db2.gz JQQWWQLLSVWVBH-HNNXBMFYSA-N 0 1 460.552 4.754 50 0 JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000015947164 556084699 /nfs/dbraw/zinc/08/46/99/556084699.db2.gz UBQIRKHVANBIFP-HXUWFJFHSA-N 0 1 469.588 4.844 50 0 JJAAMN CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(CC)C5)o2)cc1 ZINC000015947301 556085208 /nfs/dbraw/zinc/08/52/08/556085208.db2.gz INKYTCOXKZMSMS-NRFANRHFSA-N 0 1 451.548 4.992 50 0 JJAAMN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736629 556105872 /nfs/dbraw/zinc/10/58/72/556105872.db2.gz HJTHFUNSTIPAKL-PIGZYNQJSA-N 0 1 460.283 4.950 50 0 JJAAMN Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)c1C ZINC000012738180 556106806 /nfs/dbraw/zinc/10/68/06/556106806.db2.gz JAKPQFWRCBLDHF-SANMLTNESA-N 0 1 477.630 4.671 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 ZINC000024349432 556129951 /nfs/dbraw/zinc/12/99/51/556129951.db2.gz UEGQVAFHHFMGDA-UHFFFAOYSA-N 0 1 497.573 4.940 50 0 JJAAMN COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N(C)C)c1 ZINC000012937119 556151889 /nfs/dbraw/zinc/15/18/89/556151889.db2.gz AFLXHEMHCKGKGH-HXUWFJFHSA-N 0 1 457.983 4.695 50 0 JJAAMN [O-][C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957640 556188854 /nfs/dbraw/zinc/18/88/54/556188854.db2.gz NCKKYGLSEXQYJW-AUUYWEPGSA-N 0 1 451.857 4.947 50 0 JJAAMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1 ZINC000013005148 556197216 /nfs/dbraw/zinc/19/72/16/556197216.db2.gz JTWLWBUFPTVILN-HHHXNRCGSA-N 0 1 484.600 4.648 50 0 JJAAMN COc1ccc(C)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000017026265 556205764 /nfs/dbraw/zinc/20/57/64/556205764.db2.gz CMOYCOOLHIBPGC-UHFFFAOYSA-N 0 1 470.601 4.553 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(CC)cc3)[nH]c2=O)cc1 ZINC000017271393 556249752 /nfs/dbraw/zinc/24/97/52/556249752.db2.gz WSTCWHABGYBXRI-UHFFFAOYSA-N 0 1 485.631 4.651 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000017887494 556270046 /nfs/dbraw/zinc/27/00/46/556270046.db2.gz VNERRIBWWMXGQO-BDTNDASRSA-N 0 1 497.320 4.648 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccccc2Br)cc1 ZINC000027522829 556286991 /nfs/dbraw/zinc/28/69/91/556286991.db2.gz NFPDESKKCUHSEX-LEWJYISDSA-N 0 1 461.315 4.510 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccccc2Br)cc1 ZINC000027522831 556287163 /nfs/dbraw/zinc/28/71/63/556287163.db2.gz NFPDESKKCUHSEX-NHCUHLMSSA-N 0 1 461.315 4.510 50 0 JJAAMN COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCC1 ZINC000027569991 556297856 /nfs/dbraw/zinc/29/78/56/556297856.db2.gz QMRWCEZPOXFXEK-HXUWFJFHSA-N 0 1 456.949 4.549 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000027754228 556306006 /nfs/dbraw/zinc/30/60/06/556306006.db2.gz IRYHIPPUTYXBEF-DBXWQHBBSA-N 0 1 464.827 4.547 50 0 JJAAMN COc1ccc(C[C@@H](NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c2ccc(OC)cc2)cc1 ZINC000018201926 556308937 /nfs/dbraw/zinc/30/89/37/556308937.db2.gz XKVZEDZLRLILMB-XMMPIXPASA-N 0 1 489.597 4.567 50 0 JJAAMN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000013117796 556329579 /nfs/dbraw/zinc/32/95/79/556329579.db2.gz HOQSJHZDGROJQP-DEOSSOPVSA-N 0 1 486.572 4.716 50 0 JJAAMN O=C(Nc1nc(-c2ccc(I)o2)ns1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028405271 556332954 /nfs/dbraw/zinc/33/29/54/556332954.db2.gz RGOOAXQPHRRBJA-UHFFFAOYSA-N 0 1 498.689 4.963 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccccc2)cc1OC ZINC000013127104 556342778 /nfs/dbraw/zinc/34/27/78/556342778.db2.gz YBNWPCLPVYNQSD-AREMUKBSSA-N 0 1 455.514 4.587 50 0 JJAAMN CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(CCc1ccccc1)C2 ZINC000019596616 556356338 /nfs/dbraw/zinc/35/63/38/556356338.db2.gz ATTANZDQPXUSJA-UHFFFAOYSA-N 0 1 493.654 4.652 50 0 JJAAMN O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029956583 556360879 /nfs/dbraw/zinc/36/08/79/556360879.db2.gz PQZIJJOHEHFXNA-IFMALSPDSA-N 0 1 480.446 4.577 50 0 JJAAMN COc1ccc(CCNC(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1OC ZINC000019743883 556365481 /nfs/dbraw/zinc/36/54/81/556365481.db2.gz XFBIRGQAJLGFSB-HHHXNRCGSA-N 0 1 478.564 4.528 50 0 JJAAMN O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032074656 556413917 /nfs/dbraw/zinc/41/39/17/556413917.db2.gz ZVYOKGOTHDEVAS-IBGZPJMESA-N 0 1 497.315 4.682 50 0 JJAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000032145632 556433185 /nfs/dbraw/zinc/43/31/85/556433185.db2.gz YURHHSKELUTBHB-UHFFFAOYSA-N 0 1 480.464 4.776 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000032562852 556445003 /nfs/dbraw/zinc/44/50/03/556445003.db2.gz SUMIBWUIIJXFIW-HXUWFJFHSA-N 0 1 464.591 4.651 50 0 JJAAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000032593564 556447610 /nfs/dbraw/zinc/44/76/10/556447610.db2.gz ZXKCFKHVUIUUQF-MHZLTWQESA-N 0 1 469.541 4.890 50 0 JJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn2c1nccc2-c1cccs1 ZINC000032815273 556502762 /nfs/dbraw/zinc/50/27/62/556502762.db2.gz XWLBSVDBDSPAKX-UHFFFAOYSA-N 0 1 451.983 4.506 50 0 JJAAMN Cc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[nH]1 ZINC000032948437 556564073 /nfs/dbraw/zinc/56/40/73/556564073.db2.gz MZROPGMNTUOKFC-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN CCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000006181245 562936940 /nfs/dbraw/zinc/93/69/40/562936940.db2.gz DZVFZPXDYBPEBZ-UHFFFAOYSA-N 0 1 483.634 4.787 50 0 JJAAMN Cc1cc(O)c([C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617143 562948187 /nfs/dbraw/zinc/94/81/87/562948187.db2.gz IXNZTVAYBUWDPR-HHHXNRCGSA-N 0 1 473.548 4.554 50 0 aggregator JJAAMN CC(C)c1nc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cs1 ZINC000012434650 562960033 /nfs/dbraw/zinc/96/00/33/562960033.db2.gz NZXAGABNYADSEV-UHFFFAOYSA-N 0 1 450.608 4.635 50 0 JJAAMN Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1 ZINC000006181329 569588570 /nfs/dbraw/zinc/58/85/70/569588570.db2.gz NOXWTBLUEURIEN-UHFFFAOYSA-N 0 1 493.629 4.590 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)cc1Cl ZINC000008574721 569591965 /nfs/dbraw/zinc/59/19/65/569591965.db2.gz ATUAZDZUWYLHOW-SANMLTNESA-N 0 1 489.959 4.861 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)cc2)c1 ZINC000057223022 569594878 /nfs/dbraw/zinc/59/48/78/569594878.db2.gz NCIRGJNHHAIPIX-UHFFFAOYSA-N 0 1 487.600 4.837 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000057222970 569594995 /nfs/dbraw/zinc/59/49/95/569594995.db2.gz UYPMHMKGSBSCLA-UHFFFAOYSA-N 0 1 461.537 4.577 50 0 JJAAMN Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000057264471 569595080 /nfs/dbraw/zinc/59/50/80/569595080.db2.gz PECYZRKMMWTODY-UHFFFAOYSA-N 0 1 472.568 4.721 50 0 JJAAMN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000008718350 569597075 /nfs/dbraw/zinc/59/70/75/569597075.db2.gz PUNGQLJGVYKXNO-XMMPIXPASA-N 0 1 474.536 4.847 50 0 JJAAMN Cc1ccc(Cl)cc1N1CCN(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn32)CC1 ZINC000063494574 569615336 /nfs/dbraw/zinc/61/53/36/569615336.db2.gz IKGZRRPHMOTJDB-UHFFFAOYSA-N 0 1 499.022 4.535 50 0 JJAAMN COc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008023 569615771 /nfs/dbraw/zinc/61/57/71/569615771.db2.gz GYAVJTNPDOKHNB-UHFFFAOYSA-N 0 1 481.555 4.561 50 0 JJAAMN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1)C(=O)Nc1cc(C)ccc1C ZINC000064579517 569620322 /nfs/dbraw/zinc/62/03/22/569620322.db2.gz DYNJVEDBGJGTLA-IBGZPJMESA-N 0 1 485.631 4.758 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c2=O)cc1 ZINC000064591971 569622141 /nfs/dbraw/zinc/62/21/41/569622141.db2.gz LXMHOIKGGKSEJC-UHFFFAOYSA-N 0 1 485.631 4.705 50 0 JJAAMN CCCN1CCN(c2nn3c(nc(-c4cc(OC)cc(OC)c4)c3NC3CCCCC3)s2)CC1 ZINC000064746075 569625168 /nfs/dbraw/zinc/62/51/68/569625168.db2.gz PTVHXGYMHMHYKZ-UHFFFAOYSA-N 0 1 484.670 4.752 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(Br)s2)cc1 ZINC000034145168 569639749 /nfs/dbraw/zinc/63/97/49/569639749.db2.gz YFSZAEZNBABLFF-RBUKOAKNSA-N 0 1 467.344 4.572 50 0 JJAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000034683153 569644309 /nfs/dbraw/zinc/64/43/09/569644309.db2.gz QDWRPRAEGHQAFU-UHFFFAOYSA-N 0 1 464.587 4.839 50 0 JJAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)NCCN3CCCCCC3)c2oc1C(=O)N1CCCCCC1 ZINC000065011035 569647894 /nfs/dbraw/zinc/64/78/94/569647894.db2.gz PUKHMAYOUFYBTM-UHFFFAOYSA-N 0 1 489.682 4.529 50 0 JJAAMN Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000034725671 569652765 /nfs/dbraw/zinc/65/27/65/569652765.db2.gz XYUJXYMBLDOAMJ-NRFANRHFSA-N 0 1 461.528 4.697 50 0 JJAAMN Cc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000034737711 569654500 /nfs/dbraw/zinc/65/45/00/569654500.db2.gz QJXUQNNWWVAOPP-UHFFFAOYSA-N 0 1 471.529 4.906 50 0 JJAAMN Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737752 569654502 /nfs/dbraw/zinc/65/45/02/569654502.db2.gz YZERPPPYMUZBDI-UHFFFAOYSA-N 0 1 471.529 4.906 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034814888 569662884 /nfs/dbraw/zinc/66/28/84/569662884.db2.gz MXYFLKMFKHLARS-UHFFFAOYSA-N 0 1 473.665 4.929 50 0 JJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830399 569663829 /nfs/dbraw/zinc/66/38/29/569663829.db2.gz IACWTMTVMHYQCM-LVXARBLLSA-N 0 1 481.706 4.890 50 0 JJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)CCc1ccccc1 ZINC000034834647 569664823 /nfs/dbraw/zinc/66/48/23/569664823.db2.gz KXKCIXVIEJLCMT-UHFFFAOYSA-N 0 1 487.692 4.940 50 0 JJAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)C(C)C ZINC000034835305 569664976 /nfs/dbraw/zinc/66/49/76/569664976.db2.gz VEOQNFFWEPPXGU-UHFFFAOYSA-N 0 1 471.665 4.745 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1cccs1 ZINC000034835507 569665130 /nfs/dbraw/zinc/66/51/30/569665130.db2.gz MBBNVGLFLKHRAQ-UHFFFAOYSA-N 0 1 483.657 4.505 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137520 569668386 /nfs/dbraw/zinc/66/83/86/569668386.db2.gz FMLRAXQFWHWFKR-UHFFFAOYSA-N 0 1 497.017 4.676 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372703 569683076 /nfs/dbraw/zinc/68/30/76/569683076.db2.gz RVIJURQORPORBD-UHFFFAOYSA-N 0 1 458.990 4.864 50 0 JJAAMN Cc1ccccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(Br)cc1 ZINC000035397181 569687746 /nfs/dbraw/zinc/68/77/46/569687746.db2.gz XMIAJOWHDBTZOL-UHFFFAOYSA-N 0 1 485.451 4.753 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397190 569687976 /nfs/dbraw/zinc/68/79/76/569687976.db2.gz JACSUOREQGFBNU-UHFFFAOYSA-N 0 1 489.414 4.583 50 0 JJAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000068822517 569692397 /nfs/dbraw/zinc/69/23/97/569692397.db2.gz AUJRKZADGFGKNS-UHFFFAOYSA-N 0 1 495.649 4.713 50 0 JJAAMN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)OC(C(=O)c2cccs2)c2cccs2)C1 ZINC000069375459 569692918 /nfs/dbraw/zinc/69/29/18/569692918.db2.gz SUTSSHQGTQNDJR-UUOWRZLLSA-N 0 1 483.611 4.985 50 0 JJAAMN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc(Br)ccc2OC(F)F)n2ncnc2N1 ZINC000072333655 569703313 /nfs/dbraw/zinc/70/33/13/569703313.db2.gz MTUGLZORUCRUMW-KRWDZBQOSA-N 0 1 483.313 4.807 50 0 JJAAMN O=C(CN(Cc1cccc(O)c1)C1CCC(O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000078724185 569706647 /nfs/dbraw/zinc/70/66/47/569706647.db2.gz HECBOQCBFYAEEL-UHFFFAOYSA-N 0 1 468.613 4.998 50 0 JJAAMN CN(C)c1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccs3)C2)cc1 ZINC000035835149 569713376 /nfs/dbraw/zinc/71/33/76/569713376.db2.gz IREOKSWECLDKLI-HXUWFJFHSA-N 0 1 455.530 4.928 50 0 JJAAMN COCCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000035840680 569713796 /nfs/dbraw/zinc/71/37/96/569713796.db2.gz BUEAYCXWXJEIFH-MUUNZHRXSA-N 0 1 464.650 4.860 50 0 JJAAMN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccc(Br)cc1 ZINC000035843552 569714369 /nfs/dbraw/zinc/71/43/69/569714369.db2.gz VNFQDQOBRVDLLC-QHCPKHFHSA-N 0 1 493.467 4.570 50 0 JJAAMN COCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843584 569714507 /nfs/dbraw/zinc/71/45/07/569714507.db2.gz JUFWKTIRPUTOLM-QFIPXVFZSA-N 0 1 481.431 4.701 50 0 JJAAMN COc1cccc(-c2nc(CN3CCN(Cc4cccc5cccnc54)CC3)cs2)c1OC ZINC000095349095 569722495 /nfs/dbraw/zinc/72/24/95/569722495.db2.gz KVERUQSVFFLCQC-UHFFFAOYSA-N 0 1 460.603 4.693 50 0 JJAAMN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035907822 569723499 /nfs/dbraw/zinc/72/34/99/569723499.db2.gz FJFFUYYYIDLHJM-LADGPHEKSA-N 0 1 459.556 4.731 50 0 JJAAMN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929878 569731378 /nfs/dbraw/zinc/73/13/78/569731378.db2.gz LUBMDEACOCPMNP-UHFFFAOYSA-N 0 1 493.590 4.585 50 0 JJAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc(OC)c1OC ZINC000096115791 569734732 /nfs/dbraw/zinc/73/47/32/569734732.db2.gz VGQNUUIPHYIDSU-INIZCTEOSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000096116418 569735255 /nfs/dbraw/zinc/73/52/55/569735255.db2.gz SSAROIRYUILLBM-LJQANCHMSA-N 0 1 491.499 4.868 50 0 biogenic JJAAMN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249918 569758189 /nfs/dbraw/zinc/75/81/89/569758189.db2.gz NIGLWIRKIAXKQV-XMMPIXPASA-N 0 1 451.611 4.894 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036301502 569759096 /nfs/dbraw/zinc/75/90/96/569759096.db2.gz RGGDDBLDOGHKIX-VWLOTQADSA-N 0 1 471.601 4.931 50 0 JJAAMN Cc1ccc(Oc2c(CN(C[C@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316069 569762092 /nfs/dbraw/zinc/76/20/92/569762092.db2.gz AVPVLOZXCKHZIA-AZGAKELHSA-N 0 1 493.648 4.955 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316390 569762840 /nfs/dbraw/zinc/76/28/40/569762840.db2.gz QIDJOWXUZWYBFM-QFIPXVFZSA-N 0 1 467.610 4.843 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316466 569762960 /nfs/dbraw/zinc/76/29/60/569762960.db2.gz UXPVYNFMKYBTOM-NRFANRHFSA-N 0 1 455.574 4.974 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC ZINC000036316436 569763047 /nfs/dbraw/zinc/76/30/47/569763047.db2.gz HHUZUOJALFLVBB-QFIPXVFZSA-N 0 1 467.610 4.845 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316536 569763311 /nfs/dbraw/zinc/76/33/11/569763311.db2.gz BDVYWVROAXVPPV-QHCPKHFHSA-N 0 1 467.585 4.976 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345820 569768129 /nfs/dbraw/zinc/76/81/29/569768129.db2.gz LCLODVOIEILTMH-JOCHJYFZSA-N 0 1 455.574 4.974 50 0 JJAAMN COc1ccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037560588 569795776 /nfs/dbraw/zinc/79/57/76/569795776.db2.gz OBHPTFOWJRWBDJ-UHFFFAOYSA-N 0 1 454.567 4.694 50 0 JJAAMN CCc1cc([C@H](c2ccc(OC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546528 569803276 /nfs/dbraw/zinc/80/32/76/569803276.db2.gz AFHOHCVEFMKAPM-QHCPKHFHSA-N 0 1 453.608 4.891 50 0 JJAAMN COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c1O ZINC000101766751 569804756 /nfs/dbraw/zinc/80/47/56/569804756.db2.gz DQUNWUXKQNPHJK-HXUWFJFHSA-N 0 1 477.567 4.659 50 0 JJAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3-c3n[nH]c(=S)[nH]c3=O)C2=O)c(C)c1 ZINC000101858319 569806362 /nfs/dbraw/zinc/80/63/62/569806362.db2.gz DAAUKUQYGMNNAH-ZHZULCJRSA-N 0 1 495.564 4.790 50 0 JJAAMN Cc1[nH]nc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2O)c1-c1ccccc1 ZINC000039354379 569809376 /nfs/dbraw/zinc/80/93/76/569809376.db2.gz UDOGCAQJBAXJOL-UHFFFAOYSA-N 0 1 454.574 4.959 50 0 JJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995506 569813411 /nfs/dbraw/zinc/81/34/11/569813411.db2.gz QQCVUALXUOEVOR-AUSIDOKSSA-N 0 1 455.002 4.537 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Br)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000102695125 569816059 /nfs/dbraw/zinc/81/60/59/569816059.db2.gz CWWKVNPKUFVXGT-FSSWDIPSSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000102698720 569816234 /nfs/dbraw/zinc/81/62/34/569816234.db2.gz WBODFGCOJUDTNL-WXFUMESZSA-N 0 1 478.932 4.717 50 0 JJAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102705430 569816373 /nfs/dbraw/zinc/81/63/73/569816373.db2.gz FPNWRGDFUMDEGI-BHDDXSALSA-N 0 1 463.331 4.809 50 0 JJAAMN COc1ccccc1[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCCC1 ZINC000040156818 569821349 /nfs/dbraw/zinc/82/13/49/569821349.db2.gz FXBWHUOKDDFMGR-NRFANRHFSA-N 0 1 470.976 4.939 50 0 JJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102760032 569821871 /nfs/dbraw/zinc/82/18/71/569821871.db2.gz HHBJMBDMRPNYGU-TWJOJJKGSA-N 0 1 472.541 4.844 50 0 JJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(Br)cc2C[C@H]1C ZINC000040450568 569828690 /nfs/dbraw/zinc/82/86/90/569828690.db2.gz UNLUABKICGEHMD-SNVBAGLBSA-N 0 1 477.302 4.566 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccccc3Cl)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000103215093 569833877 /nfs/dbraw/zinc/83/38/77/569833877.db2.gz YESQCZAQANVCFK-UEXGIBASSA-N 0 1 464.827 4.547 50 0 JJAAMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)c(Cl)cc1Cl ZINC000049464346 569848030 /nfs/dbraw/zinc/84/80/30/569848030.db2.gz JTNVMRWNBUYXCY-HNNXBMFYSA-N 0 1 469.390 4.880 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983862 569848222 /nfs/dbraw/zinc/84/82/22/569848222.db2.gz REMKEXMDXRZWCD-IFMALSPDSA-N 0 1 472.944 4.645 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983319 569848263 /nfs/dbraw/zinc/84/82/63/569848263.db2.gz PVTOUNJWNJSZKA-ISKFKSNPSA-N 0 1 472.944 4.645 50 0 JJAAMN CCCC(=O)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983643 569848269 /nfs/dbraw/zinc/84/82/69/569848269.db2.gz CUZFNRYZTOZFNS-VQTJNVASSA-N 0 1 497.394 4.832 50 0 JJAAMN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@@H]2C)c(OC)c1 ZINC000105010507 569850961 /nfs/dbraw/zinc/85/09/61/569850961.db2.gz PNKCHSXWLUQKDV-GAJHUEQPSA-N 0 1 455.986 4.909 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000107175788 569856291 /nfs/dbraw/zinc/85/62/91/569856291.db2.gz OOBUXIVCQHBQNR-AQWTWLKTSA-N 0 1 466.512 4.778 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000107374295 569856457 /nfs/dbraw/zinc/85/64/57/569856457.db2.gz JNOZEOYPSPQZGZ-AZGAKELHSA-N 0 1 479.546 4.885 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2C)cc1 ZINC000135694680 569864517 /nfs/dbraw/zinc/86/45/17/569864517.db2.gz KXBLFULCECQWAW-YTFSRNRJSA-N 0 1 493.357 4.817 50 0 JJAAMN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000137643914 569865025 /nfs/dbraw/zinc/86/50/25/569865025.db2.gz LAPBPRQUNKXYNB-BHDDXSALSA-N 0 1 497.334 4.831 50 0 JJAAMN CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677579 569868729 /nfs/dbraw/zinc/86/87/29/569868729.db2.gz VJSJAAOSEDNDGH-VWNXMTODSA-N 0 1 477.546 4.870 50 0 JJAAMN 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O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000096402991 130079249 /nfs/dbraw/zinc/07/92/49/130079249.db2.gz DTYNPUUAJNLONK-AHAAGLQNSA-N 0 1 467.573 4.884 50 0 JJAAMN CC(=O)Nc1ccc(CN2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)s1 ZINC000014986776 519715642 /nfs/dbraw/zinc/71/56/42/519715642.db2.gz OUUZOMQBDRCHHV-HSZRJFAPSA-N 0 1 465.663 4.937 50 0 JJAAMN CCOc1cc(C(=O)OC)cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1OCC ZINC000044837380 520669792 /nfs/dbraw/zinc/66/97/92/520669792.db2.gz BCUQQHVKAYRPGW-UHFFFAOYSA-N 0 1 488.338 4.676 50 0 JJAAMN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146070 520724821 /nfs/dbraw/zinc/72/48/21/520724821.db2.gz VDTNYEMODLBGKM-UHFFFAOYSA-N 0 1 470.522 4.836 50 0 JJAAMN CCOc1ccc(CC(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1OCC ZINC000033084663 520938683 /nfs/dbraw/zinc/93/86/83/520938683.db2.gz RHGFJZHDJJNHJP-UHFFFAOYSA-N 0 1 476.621 4.664 50 0 JJAAMN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000033297953 521195380 /nfs/dbraw/zinc/19/53/80/521195380.db2.gz VXBUUMZNOZKPKM-LCYFTJDESA-N 0 1 455.536 4.620 50 0 JJAAMN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNC[C@@H]1CCCO1 ZINC000012413709 521370986 /nfs/dbraw/zinc/37/09/86/521370986.db2.gz YXHXTYDOJBOMSX-NRFANRHFSA-N 0 1 464.587 4.966 50 0 JJAAMN CCCc1cc(Sc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)n2ncnc2n1 ZINC000033276036 521385781 /nfs/dbraw/zinc/38/57/81/521385781.db2.gz ALRKCPNYPVWMRJ-UHFFFAOYSA-N 0 1 459.984 4.682 50 0 JJAAMN CCOC(=O)c1c(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)sc(C)c1-c1ccccc1 ZINC000048368861 521408655 /nfs/dbraw/zinc/40/86/55/521408655.db2.gz NKJRBJGDDCVHKQ-UHFFFAOYSA-N 0 1 479.587 4.811 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(OCC)cc3[nH]1)CCCC2 ZINC000012484507 521417546 /nfs/dbraw/zinc/41/75/46/521417546.db2.gz PAQLUURPBZDKPK-UHFFFAOYSA-N 0 1 459.593 4.809 50 0 JJAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000016189152 522080386 /nfs/dbraw/zinc/08/03/86/522080386.db2.gz HDFYOPRWESQDGW-UHFFFAOYSA-N 0 1 478.401 4.999 50 0 JJAAMN COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141540 522133963 /nfs/dbraw/zinc/13/39/63/522133963.db2.gz GWKGGOWVQJVRQH-UHFFFAOYSA-N 0 1 473.507 4.500 50 0 JJAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cn3)c2)cc1Cl ZINC000014683589 522815495 /nfs/dbraw/zinc/81/54/95/522815495.db2.gz FTOGIOIKSMKEON-UHFFFAOYSA-N 0 1 496.372 4.767 50 0 JJAAMN COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccccc4)cc2)CCO3)CC1 ZINC000012279219 522915253 /nfs/dbraw/zinc/91/52/53/522915253.db2.gz ZGJJMJSDTZOOCD-UHFFFAOYSA-N 0 1 484.596 4.773 50 0 JJAAMN COCc1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3-c3cccc(OC)c3)CC2)o1 ZINC000014986695 522971196 /nfs/dbraw/zinc/97/11/96/522971196.db2.gz QDSLKMIWIFCJFQ-DEOSSOPVSA-N 0 1 498.649 4.666 50 0 JJAAMN COCc1ccc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)o1 ZINC000014961448 522974279 /nfs/dbraw/zinc/97/42/79/522974279.db2.gz HXQFTPRBCCHCKO-HSZRJFAPSA-N 0 1 496.677 4.911 50 0 JJAAMN COc1ccc(-c2csc3[nH]c(CN(C[C@@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206304 523173422 /nfs/dbraw/zinc/17/34/22/523173422.db2.gz UZXHUALKYXWKRU-OAQYLSRUSA-N 0 1 499.677 4.828 50 0 JJAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000033170631 523437339 /nfs/dbraw/zinc/43/73/39/523437339.db2.gz RULYVSNGAJQGKU-BENRWUELSA-N 0 1 455.536 4.538 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000036305071 523734408 /nfs/dbraw/zinc/73/44/08/523734408.db2.gz AMQGMVLYXDASKB-JOCHJYFZSA-N 0 1 488.028 4.767 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307456 523735178 /nfs/dbraw/zinc/73/51/78/523735178.db2.gz ZYFWGPVEVYITKH-JOCHJYFZSA-N 0 1 485.600 4.643 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036306327 523735232 /nfs/dbraw/zinc/73/52/32/523735232.db2.gz GEWGQQJGMPMAGH-QHCPKHFHSA-N 0 1 481.637 4.812 50 0 JJAAMN CC[C@H](C(=O)Nc1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1)N1C(=O)COc2ccccc21 ZINC000045901828 523798991 /nfs/dbraw/zinc/79/89/91/523798991.db2.gz VQPILRIZDAFZEX-HSZRJFAPSA-N 0 1 468.557 4.799 50 0 JJAAMN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COCc3ccco3)C2)cc1 ZINC000036146648 523881483 /nfs/dbraw/zinc/88/14/83/523881483.db2.gz DGCCVKRRKORTGX-DHLKQENFSA-N 0 1 484.980 4.515 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000012468479 523946342 /nfs/dbraw/zinc/94/63/42/523946342.db2.gz ZQBVVVIJDIVSKF-MHZLTWQESA-N 0 1 469.541 4.896 50 0 JJAAMN CCc1ccc(N2CCN(C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000012413361 523964968 /nfs/dbraw/zinc/96/49/68/523964968.db2.gz LJJRBOYJNVHOSW-DEOSSOPVSA-N 0 1 469.423 4.727 50 0 JJAAMN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000016399828 524000849 /nfs/dbraw/zinc/00/08/49/524000849.db2.gz ABEZNRFHZOZMTI-SFHVURJKSA-N 0 1 465.575 4.576 50 0 JJAAMN CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1[nH]c3ccc(C)cc3c1C)CC2 ZINC000014884879 524022842 /nfs/dbraw/zinc/02/28/42/524022842.db2.gz DIDIMUDBJYZMCP-SXOMAYOGSA-N 0 1 477.674 4.867 50 0 JJAAMN CN(C)CC(=O)N(C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1 ZINC000012457048 524041916 /nfs/dbraw/zinc/04/19/16/524041916.db2.gz BFEPMLXPXNKCQS-AREMUKBSSA-N 0 1 491.607 4.569 50 0 JJAAMN Cc1cccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccc(C)c(Cl)c4)n3)n2)c1 ZINC000033270818 524116004 /nfs/dbraw/zinc/11/60/04/524116004.db2.gz GGUANEKDGVMWBB-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000040050701 524245595 /nfs/dbraw/zinc/24/55/95/524245595.db2.gz LGNGWUCSGMSVRF-OAQYLSRUSA-N 0 1 471.966 4.522 50 0 JJAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000006146581 524254058 /nfs/dbraw/zinc/25/40/58/524254058.db2.gz JKFLECMXEZKARU-UHFFFAOYSA-N 0 1 493.629 4.810 50 0 JJAAMN C[C@H]1CCc2c(sc3nc(CN(C[C@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000036161366 524438077 /nfs/dbraw/zinc/43/80/77/524438077.db2.gz XMOWRIKPWSDFRI-UGKGYDQZSA-N 0 1 495.689 4.822 50 0 JJAAMN Cc1cccc(N2C(=O)NC(=O)[C@](CCc3ccncc3)(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000016293265 524532729 /nfs/dbraw/zinc/53/27/29/524532729.db2.gz XFHDVVWNUSTHRL-NDEPHWFRSA-N 0 1 455.558 4.958 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010579 524682692 /nfs/dbraw/zinc/68/26/92/524682692.db2.gz BIMMUVDHKYBUID-UHFFFAOYSA-N 0 1 456.564 4.794 50 0 JJAAMN COc1ccccc1Oc1c(CN(C[C@@H](O)COC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302280 524693958 /nfs/dbraw/zinc/69/39/58/524693958.db2.gz ACKLKDJIRUZXPG-XMMPIXPASA-N 0 1 479.621 4.980 50 0 JJAAMN C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000012325633 524746637 /nfs/dbraw/zinc/74/66/37/524746637.db2.gz ARJJYLBYHUENNS-FQEVSTJZSA-N 0 1 464.587 4.811 50 0 JJAAMN COc1ccc(OC)c(-c2csc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)n2)c1 ZINC000022582528 524792971 /nfs/dbraw/zinc/79/29/71/524792971.db2.gz DMVFEDVWMXRHLA-UHFFFAOYSA-N 0 1 467.576 4.652 50 0 JJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000016215371 524870703 /nfs/dbraw/zinc/87/07/03/524870703.db2.gz QJCZTSRSXLUPKE-UHFFFAOYSA-N 0 1 461.927 4.802 50 0 JJAAMN Cc1ccc(N2CCN(C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)c(C)c1 ZINC000016319395 524964508 /nfs/dbraw/zinc/96/45/08/524964508.db2.gz JWAZZBGPJFOMSM-QHCPKHFHSA-N 0 1 469.423 4.781 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000012465967 525278798 /nfs/dbraw/zinc/27/87/98/525278798.db2.gz VAGMOVAMBTYREN-HHHXNRCGSA-N 0 1 485.540 4.596 50 0 JJAAMN Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)ccc1F ZINC000012521330 525421610 /nfs/dbraw/zinc/42/16/10/525421610.db2.gz JGHDALCDBPNNLJ-UHFFFAOYSA-N 0 1 487.641 4.854 50 0 JJAAMN Cc1[nH]c2ccc(C(=O)N3CCC(Oc4ccc(CN(C)Cc5cnn(C)c5)cc4)CC3)cc2c1C ZINC000012329808 525422894 /nfs/dbraw/zinc/42/28/94/525422894.db2.gz LCSRDBOOJVCMEG-UHFFFAOYSA-N 0 1 485.632 4.834 50 0 JJAAMN COc1ccc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2c1 ZINC000022800843 525672365 /nfs/dbraw/zinc/67/23/65/525672365.db2.gz JSMDPHDGJSLUFX-UHFFFAOYSA-N 0 1 472.614 4.651 50 0 JJAAMN Cc1ccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4F)n3)n2)cc1 ZINC000033270930 525789057 /nfs/dbraw/zinc/78/90/57/525789057.db2.gz FICUMFZIERCISW-UHFFFAOYSA-N 0 1 472.933 4.819 50 0 JJAAMN Cc1ccc(-n2cc3c(c(C(=O)NC4CCN(Cc5ccccc5)CC4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000429 525910712 /nfs/dbraw/zinc/91/07/12/525910712.db2.gz ALVDPLVRWGAKCF-UHFFFAOYSA-N 0 1 497.639 4.695 50 0 JJAAMN Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022795399 525980991 /nfs/dbraw/zinc/98/09/91/525980991.db2.gz WVHHPOGBJOENMP-HSZRJFAPSA-N 0 1 485.613 4.972 50 0 JJAAMN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698275 525981116 /nfs/dbraw/zinc/98/11/16/525981116.db2.gz MSWSUAMTZHREBQ-MUUNZHRXSA-N 0 1 487.575 4.863 50 0 JJAAMN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)cc1 ZINC000033071362 525985755 /nfs/dbraw/zinc/98/57/55/525985755.db2.gz YUWVYKOWCRFWOH-MRXNPFEDSA-N 0 1 473.440 4.623 50 0 JJAAMN C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000023261093 526083584 /nfs/dbraw/zinc/08/35/84/526083584.db2.gz LIMOWABRUIUPLK-KRWDZBQOSA-N 0 1 486.977 4.517 50 0 JJAAMN O[C@H](COc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146528 526291081 /nfs/dbraw/zinc/29/10/81/526291081.db2.gz XOYBHBJCMBJACM-ZCYQVOJMSA-N 0 1 450.966 4.775 50 0 JJAAMN c1cncc(CN2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000014977436 526545762 /nfs/dbraw/zinc/54/57/62/526545762.db2.gz CACYGGZPZHIYPA-QHCPKHFHSA-N 0 1 455.672 4.904 50 0 JJAAMN Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc(NC2CCCCC2)n1 ZINC000033326925 527004549 /nfs/dbraw/zinc/00/45/49/527004549.db2.gz MJKSPCCPNUMMOE-UHFFFAOYSA-N 0 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O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002654884 554270730 /nfs/dbraw/zinc/27/07/30/554270730.db2.gz YUIMEBXRARDODS-UHFFFAOYSA-N 0 1 490.385 4.567 50 0 JJAAMN COc1cc2ncc(C(=O)c3ccccc3)c(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC ZINC000002693138 554289524 /nfs/dbraw/zinc/28/95/24/554289524.db2.gz DDXNXGQPKCCKDA-UHFFFAOYSA-N 0 1 471.532 4.949 50 0 JJAAMN CCc1ccc(NC(=O)[C@@H](CC)Sc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000002694193 554291568 /nfs/dbraw/zinc/29/15/68/554291568.db2.gz KCQWDFWDAUXIAN-GOSISDBHSA-N 0 1 492.022 4.740 50 0 JJAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000002843095 554373946 /nfs/dbraw/zinc/37/39/46/554373946.db2.gz AOFOZCLLZVRYHU-UHFFFAOYSA-N 0 1 450.520 4.510 50 0 JJAAMN Cc1nc2sccn2c1-c1csc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)n1 ZINC000006024079 554500617 /nfs/dbraw/zinc/50/06/17/554500617.db2.gz AYSDSVIYOAKLFY-UHFFFAOYSA-N 0 1 497.631 4.779 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000008845139 554741825 /nfs/dbraw/zinc/74/18/25/554741825.db2.gz IOHAFRPXWUTYCY-AREMUKBSSA-N 0 1 470.529 4.720 50 0 JJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1Cc1cccnc1 ZINC000008845345 554742328 /nfs/dbraw/zinc/74/23/28/554742328.db2.gz HQPNLLSXIAXKME-QFIPXVFZSA-N 0 1 461.319 4.685 50 0 JJAAMN O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1cc(-c2ccccc2O)n[nH]1 ZINC000008845452 554742633 /nfs/dbraw/zinc/74/26/33/554742633.db2.gz WYBAVETXGZCDCB-UHFFFAOYSA-N 0 1 472.570 4.905 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)ccc1OCC(C)C ZINC000008845546 554743133 /nfs/dbraw/zinc/74/31/33/554743133.db2.gz SOFQARKGKMGMRD-QYBDOPJKSA-N 0 1 477.561 4.550 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845685 554743334 /nfs/dbraw/zinc/74/33/34/554743334.db2.gz YARWXBPVSGWDMG-MHZLTWQESA-N 0 1 469.541 4.978 50 0 JJAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000008918569 554815265 /nfs/dbraw/zinc/81/52/65/554815265.db2.gz DROJNUQORQRXCJ-UUROJUAVSA-N 0 1 462.549 4.947 50 0 biogenic JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961485 554837906 /nfs/dbraw/zinc/83/79/06/554837906.db2.gz IRUDHOSEOLWCKU-UHFFFAOYSA-N 0 1 452.532 4.804 50 0 JJAAMN CCOc1ccc2nc(N[C@@](NC(=O)c3ccc(Cl)cc3)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000008969591 554843254 /nfs/dbraw/zinc/84/32/54/554843254.db2.gz CXEJTNSTEGKKBY-IBGZPJMESA-N 0 1 487.887 4.622 50 0 JJAAMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccc(OC)cc4[nH]3)cc2)cc1 ZINC000009056344 554874493 /nfs/dbraw/zinc/87/44/93/554874493.db2.gz USFYBGQIGHKGCO-UHFFFAOYSA-N 0 1 476.558 4.953 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)cc1Cl ZINC000009124566 554915907 /nfs/dbraw/zinc/91/59/07/554915907.db2.gz PXMLVMLYIPGABI-LJQANCHMSA-N 0 1 452.725 4.588 50 0 JJAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000009151874 554939223 /nfs/dbraw/zinc/93/92/23/554939223.db2.gz XLLKKGJOCYWXMD-UHFFFAOYSA-N 0 1 454.415 4.646 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172790 554954448 /nfs/dbraw/zinc/95/44/48/554954448.db2.gz MCOVWGBJNYEPPA-UHFFFAOYSA-N 0 1 460.596 4.602 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000009174382 554954970 /nfs/dbraw/zinc/95/49/70/554954970.db2.gz BQKWIVQRKYLJGH-UHFFFAOYSA-N 0 1 481.014 4.947 50 0 JJAAMN CCCCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009184765 554956747 /nfs/dbraw/zinc/95/67/47/554956747.db2.gz LNONJHLNPODWLM-XMMPIXPASA-N 0 1 465.550 4.770 50 0 JJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000009220075 554989101 /nfs/dbraw/zinc/98/91/01/554989101.db2.gz CIQGVIKJLDFJBV-UHFFFAOYSA-N 0 1 475.364 4.901 50 0 JJAAMN Cc1csc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)cc(=O)n12 ZINC000009228289 555002118 /nfs/dbraw/zinc/00/21/18/555002118.db2.gz OIZGWLGZQRTNPK-UHFFFAOYSA-N 0 1 478.020 4.811 50 0 JJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009242700 555017409 /nfs/dbraw/zinc/01/74/09/555017409.db2.gz AVFAWKITMBLUKQ-VWLOTQADSA-N 0 1 470.529 4.557 50 0 JJAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000009282799 555052655 /nfs/dbraw/zinc/05/26/55/555052655.db2.gz ZFCHLXCDLKDYCG-SQRAXXTESA-N 0 1 491.591 4.978 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)n1 ZINC000009354645 555118957 /nfs/dbraw/zinc/11/89/57/555118957.db2.gz JCGFDIGMVKOGNR-UHFFFAOYSA-N 0 1 474.542 4.939 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2)n1 ZINC000009355766 555120440 /nfs/dbraw/zinc/12/04/40/555120440.db2.gz ZBBFZBVZNVOUCF-HKOYGPOVSA-N 0 1 470.554 4.765 50 0 JJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1C ZINC000009355977 555120662 /nfs/dbraw/zinc/12/06/62/555120662.db2.gz SGKPAPIMFOLQRI-UHFFFAOYSA-N 0 1 458.923 4.739 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c3O[C@@H](C)[C@H]4C)ccc2OC)cc1 ZINC000009376743 555137790 /nfs/dbraw/zinc/13/77/90/555137790.db2.gz DSPYLIJTOHUXDC-CVEARBPZSA-N 0 1 482.558 4.641 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=S)NC3CCCCC3)ccc2OC)cc1 ZINC000009402808 555160769 /nfs/dbraw/zinc/16/07/69/555160769.db2.gz LFWQCVCOKKWLHW-UHFFFAOYSA-N 0 1 463.625 4.514 50 0 JJAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402975 555161017 /nfs/dbraw/zinc/16/10/17/555161017.db2.gz QHAAJNXBRWTNOE-DVECYGJZSA-N 0 1 483.659 4.813 50 0 JJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Br)cc1 ZINC000009409102 555173092 /nfs/dbraw/zinc/17/30/92/555173092.db2.gz FDGLBIYSGGFIPZ-QFIPXVFZSA-N 0 1 470.367 4.905 50 0 JJAAMN C[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)[C@@H]1C ZINC000009434333 555205374 /nfs/dbraw/zinc/20/53/74/555205374.db2.gz WUDCCMITBVORMP-IOASZLSFSA-N 0 1 452.418 4.543 50 0 JJAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000009435767 555207401 /nfs/dbraw/zinc/20/74/01/555207401.db2.gz LIUNURVBBJIKTO-GOSISDBHSA-N 0 1 463.578 4.635 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1C ZINC000009441608 555212570 /nfs/dbraw/zinc/21/25/70/555212570.db2.gz YMKPEJBQFYGAAV-UHFFFAOYSA-N 0 1 475.364 4.819 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N1CCCC1 ZINC000009444365 555217289 /nfs/dbraw/zinc/21/72/89/555217289.db2.gz KFVIVTPGSIFEOH-UHFFFAOYSA-N 0 1 479.602 4.668 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000009468091 555246975 /nfs/dbraw/zinc/24/69/75/555246975.db2.gz IHKXZRDXNHDYGW-UHFFFAOYSA-N 0 1 493.585 4.947 50 0 JJAAMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000009493844 555276802 /nfs/dbraw/zinc/27/68/02/555276802.db2.gz FUYGWIUMIBJFRV-UHFFFAOYSA-N 0 1 459.877 4.991 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCc3csc(C)n3)cc2)N2CCCC2)cc1 ZINC000009495613 555280237 /nfs/dbraw/zinc/28/02/37/555280237.db2.gz DJDKTIHBYDLEHK-XMMPIXPASA-N 0 1 451.592 4.606 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)N=Cc1c(C)nn(-c3ccc(F)cc3)c1O2 ZINC000009540103 555332576 /nfs/dbraw/zinc/33/25/76/555332576.db2.gz BNQLGZDDIMWHAK-UHFFFAOYSA-N 0 1 478.505 4.986 50 0 JJAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000013145277 555341631 /nfs/dbraw/zinc/34/16/31/555341631.db2.gz LQIFMHQZQNNMQO-UHFFFAOYSA-N 0 1 478.998 4.527 50 0 JJAAMN Cc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3Cl)c2)c1 ZINC000009645115 555357764 /nfs/dbraw/zinc/35/77/64/555357764.db2.gz OECCOGSZOONPLF-UHFFFAOYSA-N 0 1 450.969 4.558 50 0 JJAAMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(-n4cncn4)cc3)ccc2Cl)c(C)c1 ZINC000009592298 555406704 /nfs/dbraw/zinc/40/67/04/555406704.db2.gz HDEXKWAOJIRMJM-UHFFFAOYSA-N 0 1 481.965 4.591 50 0 JJAAMN CCOC(=O)C1CCN([C@@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(OC)c2)CC1 ZINC000009594127 555409853 /nfs/dbraw/zinc/40/98/53/555409853.db2.gz YGMMAUFQOSGUSA-XMMPIXPASA-N 0 1 470.635 4.958 50 0 JJAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)n1C ZINC000009685348 555414195 /nfs/dbraw/zinc/41/41/95/555414195.db2.gz MLBIVEICIGGWIR-UHFFFAOYSA-N 0 1 482.444 4.530 50 0 JJAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000009603950 555430612 /nfs/dbraw/zinc/43/06/12/555430612.db2.gz YUMMLVBUDZSUTI-UHFFFAOYSA-N 0 1 454.415 4.727 50 0 JJAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cccc(C(F)(F)F)c3)nc21 ZINC000009604183 555430641 /nfs/dbraw/zinc/43/06/41/555430641.db2.gz HRYVINDGPYCYRY-UHFFFAOYSA-N 0 1 453.486 4.541 50 0 JJAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000009711969 555435026 /nfs/dbraw/zinc/43/50/26/555435026.db2.gz XEIHSPRCFUBQFZ-GOSISDBHSA-N 0 1 470.923 4.517 50 0 JJAAMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000009712225 555435986 /nfs/dbraw/zinc/43/59/86/555435986.db2.gz MHJFEMQLVCJCDR-HSZRJFAPSA-N 0 1 456.546 4.708 50 0 JJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009609731 555438339 /nfs/dbraw/zinc/43/83/39/555438339.db2.gz IHQWHDNONYYCNR-CQSZACIVSA-N 0 1 453.568 4.719 50 0 JJAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3ccccc3C2=O)C(=O)N1c1ccc(C)cc1 ZINC000009778088 555496623 /nfs/dbraw/zinc/49/66/23/555496623.db2.gz MNBLJIJVIYQJAT-VXKWHMMOSA-N 0 1 491.341 4.519 50 0 JJAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009778120 555496629 /nfs/dbraw/zinc/49/66/29/555496629.db2.gz DSZSGXRSFVBROC-DHIUTWEWSA-N 0 1 460.917 4.800 50 0 JJAAMN C[C@@H]1CCC[C@@H](C)N1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000009804828 555516563 /nfs/dbraw/zinc/51/65/63/555516563.db2.gz LONHDMCVZUSNEC-WOJBJXKFSA-N 0 1 460.574 4.914 50 0 JJAAMN CN(C)c1cc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1 ZINC000019892871 555531221 /nfs/dbraw/zinc/53/12/21/555531221.db2.gz BFUONZHTPADGAQ-UHFFFAOYSA-N 0 1 479.628 4.647 50 0 JJAAMN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000013960543 555663809 /nfs/dbraw/zinc/66/38/09/555663809.db2.gz WHGRZLYSJYUADE-SANMLTNESA-N 0 1 461.606 4.545 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)N2CCCCC2)cc1 ZINC000014079258 555681138 /nfs/dbraw/zinc/68/11/38/555681138.db2.gz ZGTIMYHNIDQZMG-MUUNZHRXSA-N 0 1 495.627 4.959 50 0 JJAAMN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000014077834 555681197 /nfs/dbraw/zinc/68/11/97/555681197.db2.gz AOFHCHAVYAJAQI-UHFFFAOYSA-N 0 1 467.585 4.543 50 0 JJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000014086102 555684164 /nfs/dbraw/zinc/68/41/64/555684164.db2.gz IEAUUEMDLYELLT-UHFFFAOYSA-N 0 1 478.599 4.938 50 0 JJAAMN COc1ccc(-c2n[nH]c(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)n2)cc1OC ZINC000014136682 555704043 /nfs/dbraw/zinc/70/40/43/555704043.db2.gz XTCWRHVYKLRKRW-UHFFFAOYSA-N 0 1 466.501 4.594 50 0 JJAAMN CSc1ccc(NC(=O)COc2ccc(-c3ccc(F)cc3)cc2CN2CCN(C)CC2)cc1 ZINC000020236031 555729146 /nfs/dbraw/zinc/72/91/46/555729146.db2.gz KEWRGQDCJPJRGX-UHFFFAOYSA-N 0 1 479.621 4.980 50 0 JJAAMN COc1ccc(-c2nc(CN3CCC(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)CC3)c(C)o2)cc1OC ZINC000020240692 555736229 /nfs/dbraw/zinc/73/62/29/555736229.db2.gz DCMPLSUFHVOKNO-NPPFBWRTSA-N 0 1 469.626 4.820 50 0 JJAAMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000014242388 555744362 /nfs/dbraw/zinc/74/43/62/555744362.db2.gz CDHCBXCZTHDYAG-HSZRJFAPSA-N 0 1 459.615 4.730 50 0 JJAAMN CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020292148 555762008 /nfs/dbraw/zinc/76/20/08/555762008.db2.gz HDYCTHYOSPQWPJ-IZHYLOQSSA-N 0 1 459.590 4.873 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NCCc4ccc(C)cc4)c3=O)c2c1 ZINC000020329142 555775261 /nfs/dbraw/zinc/77/52/61/555775261.db2.gz NITOVCTUELVFLY-UHFFFAOYSA-N 0 1 478.618 4.777 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)N[C@@H]5CCCC[C@H]5C)cc4)c3=O)c2c1 ZINC000020331212 555776196 /nfs/dbraw/zinc/77/61/96/555776196.db2.gz IFFGDXNPKRACRW-FOIQADDNSA-N 0 1 476.602 4.906 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4ccccc4o3)ccc2OC)cc1 ZINC000014361432 555799703 /nfs/dbraw/zinc/79/97/03/555799703.db2.gz INIYZIXUGNECDZ-UHFFFAOYSA-N 0 1 466.515 4.893 50 0 JJAAMN O=C(CSc1nc(C2CC2)n[nH]1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000014389161 555801651 /nfs/dbraw/zinc/80/16/51/555801651.db2.gz AXTDPIYSRIONRE-UHFFFAOYSA-N 0 1 461.469 4.684 50 0 JJAAMN O=C(CSc1n[nH]c(C2CC2)n1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000014389161 555801652 /nfs/dbraw/zinc/80/16/52/555801652.db2.gz AXTDPIYSRIONRE-UHFFFAOYSA-N 0 1 461.469 4.684 50 0 JJAAMN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3c(F)cccc3Cl)CC2)N1Cc1ccccc1 ZINC000014534834 555823653 /nfs/dbraw/zinc/82/36/53/555823653.db2.gz ZSVMKPUCMVFDKD-UHFFFAOYSA-N 0 1 492.982 4.873 50 0 JJAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3cccc(C)c3)C2)cc1 ZINC000011789835 555824869 /nfs/dbraw/zinc/82/48/69/555824869.db2.gz RFIDSAZTRJHIKO-FTJBHMTQSA-N 0 1 486.641 4.703 50 0 JJAAMN Cc1oc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)nc1CNC(=O)CCc1ccccc1 ZINC000011790032 555825208 /nfs/dbraw/zinc/82/52/08/555825208.db2.gz WZRLTZWOBRIDFA-UHFFFAOYSA-N 0 1 493.560 4.839 50 0 JJAAMN COc1cc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1OC ZINC000015000465 555845000 /nfs/dbraw/zinc/84/50/00/555845000.db2.gz HAHFMPVKDDTNAC-FQEVSTJZSA-N 0 1 468.623 4.513 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000015002601 555847563 /nfs/dbraw/zinc/84/75/63/555847563.db2.gz LLLHGPBQTLHHGV-UHFFFAOYSA-N 0 1 485.481 4.752 50 0 JJAAMN c1coc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)c1 ZINC000011998741 555881790 /nfs/dbraw/zinc/88/17/90/555881790.db2.gz REHUSFJEHWZTKU-HSZRJFAPSA-N 0 1 452.624 4.765 50 0 JJAAMN CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)CCc2nc4ccc(F)cc4[nH]2)CC3)cc1 ZINC000012098988 555906102 /nfs/dbraw/zinc/90/61/02/555906102.db2.gz BGADRVCIMQTBND-IBGZPJMESA-N 0 1 466.582 4.624 50 0 JJAAMN C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000015415165 555906971 /nfs/dbraw/zinc/90/69/71/555906971.db2.gz YLEHMJUQHQEBPX-ATGUVVDTSA-N 0 1 486.741 4.694 50 0 biogenic JJAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C(C)C)cc2)C1 ZINC000022853418 555960317 /nfs/dbraw/zinc/96/03/17/555960317.db2.gz VKLMDXWHFCHUOJ-ICSRJNTNSA-N 0 1 456.612 4.547 50 0 JJAAMN O[C@@H](COc1ccc(Br)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022916684 555970653 /nfs/dbraw/zinc/97/06/53/555970653.db2.gz RYONDBYZEQRKML-XMMPIXPASA-N 0 1 481.434 4.596 50 0 JJAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)n1C ZINC000015733742 555979153 /nfs/dbraw/zinc/97/91/53/555979153.db2.gz QHOIKBOVCSWXCX-UHFFFAOYSA-N 0 1 491.617 4.612 50 0 JJAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)c1 ZINC000015733860 555979831 /nfs/dbraw/zinc/97/98/31/555979831.db2.gz QFDROGXCWVTKEN-UHFFFAOYSA-N 0 1 456.564 4.848 50 0 JJAAMN O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022936077 555988517 /nfs/dbraw/zinc/98/85/17/555988517.db2.gz USZMJNUCTVKNJX-JPNWQNGZSA-N 0 1 460.662 4.712 50 0 JJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770454 555988665 /nfs/dbraw/zinc/98/86/65/555988665.db2.gz QWONGMAVSYKWHE-HXUWFJFHSA-N 0 1 484.069 4.590 50 0 JJAAMN Cc1cccc(-c2nc3ccc(C(=O)NCCN4CCN(C)CC4)cc3nc2-c2cccc(C)c2)c1 ZINC000022938952 555992163 /nfs/dbraw/zinc/99/21/63/555992163.db2.gz VQJMKMNSALPUBX-UHFFFAOYSA-N 0 1 479.628 4.558 50 0 JJAAMN Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)ccc1F ZINC000012521200 555992786 /nfs/dbraw/zinc/99/27/86/555992786.db2.gz XHSRCUTVISFXIV-RUZDIDTESA-N 0 1 481.593 4.502 50 0 JJAAMN CCOc1ccccc1N1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012532333 556002292 /nfs/dbraw/zinc/00/22/92/556002292.db2.gz AMYXFAKPDRSJDA-VWLOTQADSA-N 0 1 482.571 4.653 50 0 JJAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(OC)c(OC)cc3C)ccc2OC)cc1 ZINC000012532658 556003673 /nfs/dbraw/zinc/00/36/73/556003673.db2.gz ZERUBUFJGDIBGI-UHFFFAOYSA-N 0 1 484.574 4.636 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COCc2nc3ccccc3s2)c1 ZINC000012532634 556003681 /nfs/dbraw/zinc/00/36/81/556003681.db2.gz JQJQYSBXGKVFNL-UHFFFAOYSA-N 0 1 497.598 4.569 50 0 JJAAMN CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000023119201 556012876 /nfs/dbraw/zinc/01/28/76/556012876.db2.gz RSVBOMHJQPBJEA-HSZRJFAPSA-N 0 1 479.554 4.734 50 0 JJAAMN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000015856038 556023953 /nfs/dbraw/zinc/02/39/53/556023953.db2.gz SIPMSOFOSGROFG-UHFFFAOYSA-N 0 1 454.611 4.753 50 0 JJAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4oc(C)nc4c3)ccc2OC)cc1 ZINC000012552690 556035980 /nfs/dbraw/zinc/03/59/80/556035980.db2.gz OYYTVEKFOPMJQZ-UHFFFAOYSA-N 0 1 465.531 4.760 50 0 JJAAMN O=C(CCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1 ZINC000012557231 556045046 /nfs/dbraw/zinc/04/50/46/556045046.db2.gz WJQKXFUAFLAEJW-UHFFFAOYSA-N 0 1 484.887 4.521 50 0 JJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3)[nH]n2)c1 ZINC000023452915 556066805 /nfs/dbraw/zinc/06/68/05/556066805.db2.gz OJBLFVNLAXORKF-UHFFFAOYSA-N 0 1 457.530 4.742 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](Sc1n[nH]c(C)n1)c1ccccc1)C[C@H](C)CC2 ZINC000012582463 556080085 /nfs/dbraw/zinc/08/00/85/556080085.db2.gz RSAUKHRIXDFNEN-YJYMSZOUSA-N 0 1 470.620 4.948 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](Sc1nc(C)n[nH]1)c1ccccc1)C[C@H](C)CC2 ZINC000012582463 556080086 /nfs/dbraw/zinc/08/00/86/556080086.db2.gz RSAUKHRIXDFNEN-YJYMSZOUSA-N 0 1 470.620 4.948 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@H]3C=CCC3)ccc2OC)cc1Br ZINC000012583957 556081293 /nfs/dbraw/zinc/08/12/93/556081293.db2.gz QBYLHUDVNLAQEH-AWEZNQCLSA-N 0 1 495.395 4.562 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)CNCc2ccccc2)sc2c1CCC2 ZINC000015946671 556083156 /nfs/dbraw/zinc/08/31/56/556083156.db2.gz XNSNGXDYZNDJPP-UHFFFAOYSA-N 0 1 469.994 4.879 50 0 JJAAMN COc1cccc2sc(NC(=O)c3ccc(OC)c(S(=O)(=O)Nc4ccc(C)cc4)c3)nc21 ZINC000024762091 556152051 /nfs/dbraw/zinc/15/20/51/556152051.db2.gz IMOYTVOZHKGYBD-UHFFFAOYSA-N 0 1 483.571 4.675 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)N2CCCCC2)cc1 ZINC000024966462 556165280 /nfs/dbraw/zinc/16/52/80/556165280.db2.gz DCPIKZOCFDPYIX-XMMPIXPASA-N 0 1 491.661 4.589 50 0 JJAAMN O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000024976968 556167152 /nfs/dbraw/zinc/16/71/52/556167152.db2.gz QXXKLTVJIKLTRY-HSZRJFAPSA-N 0 1 451.954 4.859 50 0 JJAAMN CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000016847659 556169306 /nfs/dbraw/zinc/16/93/06/556169306.db2.gz HHDUIOXDYISAJI-UHFFFAOYSA-N 0 1 461.570 4.787 50 0 JJAAMN COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 ZINC000016848529 556170016 /nfs/dbraw/zinc/17/00/16/556170016.db2.gz UGKVUJPWUTXODP-UHFFFAOYSA-N 0 1 459.593 4.647 50 0 JJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4c(OC)cc(OC)cc4OC)cc3)[nH]n2)c1 ZINC000025142238 556181263 /nfs/dbraw/zinc/18/12/63/556181263.db2.gz HPEDSLRCJFWBHW-UHFFFAOYSA-N 0 1 473.529 4.708 50 0 biogenic JJAAMN [O-][C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957642 556188947 /nfs/dbraw/zinc/18/89/47/556188947.db2.gz NCKKYGLSEXQYJW-KUHUBIRLSA-N 0 1 451.857 4.947 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000017010217 556199906 /nfs/dbraw/zinc/19/99/06/556199906.db2.gz DAHUEXVPPADKON-UHFFFAOYSA-N 0 1 452.580 4.560 50 0 JJAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184766 556204005 /nfs/dbraw/zinc/20/40/05/556204005.db2.gz GLZLEXLSPBJSHG-IAPPQJPRSA-N 0 1 471.004 4.996 50 0 JJAAMN Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053536 556214076 /nfs/dbraw/zinc/21/40/76/556214076.db2.gz IMDCGCGXQGTOJE-UHFFFAOYSA-N 0 1 479.500 4.631 50 0 JJAAMN CCc1ccc([C@@H](C)NCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)cc1 ZINC000013039869 556241723 /nfs/dbraw/zinc/24/17/23/556241723.db2.gz IGURHQKEQCVQEJ-LJQANCHMSA-N 0 1 454.640 4.644 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCCCC2)cc1 ZINC000013057515 556252666 /nfs/dbraw/zinc/25/26/66/556252666.db2.gz KIGXXKKELHFRNY-HSZRJFAPSA-N 0 1 463.603 4.966 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2C)cc1 ZINC000017723656 556264565 /nfs/dbraw/zinc/26/45/65/556264565.db2.gz KXBLFULCECQWAW-DNVJHFABSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000018055449 556280606 /nfs/dbraw/zinc/28/06/06/556280606.db2.gz XGWGFGYXGUMXJS-ZLNRFVROSA-N 0 1 482.895 4.547 50 0 JJAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3-c3n[nH]c(=S)[nH]c3=O)C2=O)cc1C ZINC000018178848 556298683 /nfs/dbraw/zinc/29/86/83/556298683.db2.gz YOSHIZWQPRBRCO-STZFKDTASA-N 0 1 495.564 4.751 50 0 JJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)cc1OCC ZINC000027749163 556305649 /nfs/dbraw/zinc/30/56/49/556305649.db2.gz JWHXLMHOEDVBOW-AREMUKBSSA-N 0 1 479.577 4.596 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccccc3Cl)o2)NC(=O)N[C@@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000027754526 556305964 /nfs/dbraw/zinc/30/59/64/556305964.db2.gz OCEUTKRJXFGSQD-DBXWQHBBSA-N 0 1 482.817 4.686 50 0 JJAAMN COc1ccc(C[C@H](NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c2ccc(OC)cc2)cc1 ZINC000018201927 556308867 /nfs/dbraw/zinc/30/88/67/556308867.db2.gz XKVZEDZLRLILMB-DEOSSOPVSA-N 0 1 489.597 4.567 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000018213279 556311556 /nfs/dbraw/zinc/31/15/56/556311556.db2.gz KCPNSCLXHOLDPK-VSKRKVRLSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc([C@H](CNC(=O)CSc2nnc(C)n2C2CCCCC2)N2CCCCC2)cc1 ZINC000029770410 556357238 /nfs/dbraw/zinc/35/72/38/556357238.db2.gz XTZKJKPAGZCQRT-QHCPKHFHSA-N 0 1 471.671 4.536 50 0 JJAAMN Fc1ccc2c(c1)Sc1ccc(Cl)cc1C[C@@H]2N1CCN(CCC2OCCCO2)CC1 ZINC000019801728 556378166 /nfs/dbraw/zinc/37/81/66/556378166.db2.gz JWYXCBVKLJBFFZ-NRFANRHFSA-N 0 1 463.018 4.998 50 0 JJAAMN COc1cc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4cc(F)ccc42)CC3)cc(OC)c1OC ZINC000031814667 556407028 /nfs/dbraw/zinc/40/70/28/556407028.db2.gz GKHIYOOYNAZHOA-JOCHJYFZSA-N 0 1 497.548 4.640 50 0 JJAAMN CC(C)(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCC2)cc1 ZINC000032624593 556454560 /nfs/dbraw/zinc/45/45/60/556454560.db2.gz IZMJRVOUJJZEMC-KRWDZBQOSA-N 0 1 468.648 4.637 50 0 JJAAMN C[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)c1ccc2c(c1)OCCCO2 ZINC000032742149 556481843 /nfs/dbraw/zinc/48/18/43/556481843.db2.gz INKROXFEFAAXHK-QGZVFWFLSA-N 0 1 467.591 4.658 50 0 JJAAMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2CSc2nc3ccccc3s2)C1 ZINC000032819186 556503729 /nfs/dbraw/zinc/50/37/29/556503729.db2.gz AVOFDHYLLJMYDZ-IBGZPJMESA-N 0 1 455.649 4.675 50 0 JJAAMN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Sc4nc(-c5cccs5)n[nH]4)c23)C1 ZINC000032855725 556512075 /nfs/dbraw/zinc/51/20/75/556512075.db2.gz BCZWEQDDOQGLLF-ZDUSSCGKSA-N 0 1 484.676 4.646 50 0 JJAAMN Cc1ccccc1-n1c2nc(SCC(=O)NCCC3=CCCCC3)[nH]c(=O)c2sc1=S ZINC000032948465 556564057 /nfs/dbraw/zinc/56/40/57/556564057.db2.gz SEBPZMZYCWBWRA-UHFFFAOYSA-N 0 1 472.661 4.912 50 0 JJAAMN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)NCCC1=CCCCC1 ZINC000032948556 556564353 /nfs/dbraw/zinc/56/43/53/556564353.db2.gz XOJNDKHNWBBTKM-UHFFFAOYSA-N 0 1 458.634 4.604 50 0 JJAAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)N=C(C)C2C(=O)OC)cc1 ZINC000008583945 562940606 /nfs/dbraw/zinc/94/06/06/562940606.db2.gz SPURACWMXDMKDS-DEOSSOPVSA-N 0 1 460.534 4.519 50 0 JJAAMN CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000008686578 562952796 /nfs/dbraw/zinc/95/27/96/562952796.db2.gz QKKGVWMHGYYGNX-UHFFFAOYSA-N 0 1 467.591 4.903 50 0 aggregator JJAAMN O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1 ZINC000008692009 562954214 /nfs/dbraw/zinc/95/42/14/562954214.db2.gz RFDWBDBJZPGSDV-QHCPKHFHSA-N 0 1 472.416 4.678 50 0 JJAAMN CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057222715 569594705 /nfs/dbraw/zinc/59/47/05/569594705.db2.gz JIEWWQNXKHTOQQ-UHFFFAOYSA-N 0 1 487.600 4.837 50 0 JJAAMN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(F)cc4)CC2)n3C)c1 ZINC000057264456 569595060 /nfs/dbraw/zinc/59/50/60/569595060.db2.gz QFSOABRDWRGYRG-UHFFFAOYSA-N 0 1 471.580 4.638 50 0 JJAAMN Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000057264469 569595112 /nfs/dbraw/zinc/59/51/12/569595112.db2.gz OTMJNQDYMWRUSZ-UHFFFAOYSA-N 0 1 463.601 4.596 50 0 JJAAMN Cc1sc2ncnc(N[C@@H](C)C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2c1C ZINC000008735598 569602061 /nfs/dbraw/zinc/60/20/61/569602061.db2.gz HOOOWAQXSVEVQV-HNNXBMFYSA-N 0 1 458.031 4.543 50 0 JJAAMN O=C(CSc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(F)cc1 ZINC000032972161 569604118 /nfs/dbraw/zinc/60/41/18/569604118.db2.gz RIURQQYPYUAIDK-OAQYLSRUSA-N 0 1 467.566 4.716 50 0 JJAAMN O=C(CSc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(F)cc1 ZINC000032972164 569604161 /nfs/dbraw/zinc/60/41/61/569604161.db2.gz RIURQQYPYUAIDK-NRFANRHFSA-N 0 1 467.566 4.716 50 0 JJAAMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000062563965 569611085 /nfs/dbraw/zinc/61/10/85/569611085.db2.gz TWDNHFPNBSOUMK-UHFFFAOYSA-N 0 1 495.627 4.607 50 0 JJAAMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(-c2noc(C3CCCCC3)n2)c1 ZINC000033013474 569617650 /nfs/dbraw/zinc/61/76/50/569617650.db2.gz WHKZUECORPHXRP-UHFFFAOYSA-N 0 1 457.552 4.992 50 0 JJAAMN CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557799 569618255 /nfs/dbraw/zinc/61/82/55/569618255.db2.gz IEUOWSAMAFPGHP-JOCHJYFZSA-N 0 1 467.518 4.864 50 0 JJAAMN Cn1c2cc(NS(=O)(=O)c3cccc(Cl)c3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000064580863 569620755 /nfs/dbraw/zinc/62/07/55/569620755.db2.gz GTTIQJPQFPKWCJ-UHFFFAOYSA-N 0 1 477.970 4.622 50 0 JJAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(O)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746083 569625163 /nfs/dbraw/zinc/62/51/63/569625163.db2.gz YUDNEVNILGYBNX-UHFFFAOYSA-N 0 1 454.644 4.830 50 0 JJAAMN O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000033863984 569636556 /nfs/dbraw/zinc/63/65/56/569636556.db2.gz XXJBPKMATHQALE-UHFFFAOYSA-N 0 1 497.507 4.876 50 0 JJAAMN Cc1ccc(CN2CCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034667846 569640549 /nfs/dbraw/zinc/64/05/49/569640549.db2.gz VNXKNGGAHBQFGG-UHFFFAOYSA-N 0 1 454.496 4.983 50 0 JJAAMN Cc1cccc(CN2CCN(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)CC2)c1 ZINC000034667853 569640590 /nfs/dbraw/zinc/64/05/90/569640590.db2.gz JOIGOQURDGZFRU-UHFFFAOYSA-N 0 1 454.496 4.983 50 0 JJAAMN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034683168 569644367 /nfs/dbraw/zinc/64/43/67/569644367.db2.gz SOXNCJMFOPMWEE-UHFFFAOYSA-N 0 1 488.584 4.786 50 0 JJAAMN CCN1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4cccc(OC)c4)cc32)CC1 ZINC000034791018 569660262 /nfs/dbraw/zinc/66/02/62/569660262.db2.gz LWLHZAXHUSYVBX-UHFFFAOYSA-N 0 1 456.546 4.769 50 0 JJAAMN O=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1Cl ZINC000065096412 569660854 /nfs/dbraw/zinc/66/08/54/569660854.db2.gz MDWJXGCAABFANI-UHFFFAOYSA-N 0 1 451.895 4.524 50 0 JJAAMN CCc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nc3ccccc3n12 ZINC000065096456 569661017 /nfs/dbraw/zinc/66/10/17/569661017.db2.gz QYUFMBUAPLQVFK-UHFFFAOYSA-N 0 1 463.494 4.572 50 0 JJAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)C3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034832130 569664414 /nfs/dbraw/zinc/66/44/14/569664414.db2.gz IHFCAPROKCPXEJ-UHFFFAOYSA-N 0 1 465.686 4.888 50 0 JJAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)CCC3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034835144 569665003 /nfs/dbraw/zinc/66/50/03/569665003.db2.gz FFJPKBHQTMEXBO-UHFFFAOYSA-N 0 1 495.712 4.658 50 0 JJAAMN CCCC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1 ZINC000034835375 569665007 /nfs/dbraw/zinc/66/50/07/569665007.db2.gz UIHWRNNERYLCIY-UHFFFAOYSA-N 0 1 457.638 4.643 50 0 JJAAMN CCCCNC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1 ZINC000034835773 569665110 /nfs/dbraw/zinc/66/51/10/569665110.db2.gz MVPINKZIIDBYDV-UHFFFAOYSA-N 0 1 486.680 4.826 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 ZINC000065116104 569666205 /nfs/dbraw/zinc/66/62/05/569666205.db2.gz RWHXJSPHIXLXCB-UHFFFAOYSA-N 0 1 463.943 4.634 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137497 569668430 /nfs/dbraw/zinc/66/84/30/569668430.db2.gz MYCPHBLSQUDNEX-UHFFFAOYSA-N 0 1 472.636 4.501 50 0 JJAAMN Cc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Cl)cc2)c1C ZINC000035372564 569683124 /nfs/dbraw/zinc/68/31/24/569683124.db2.gz IKJBYOBUAAAZAP-UHFFFAOYSA-N 0 1 455.027 4.952 50 0 JJAAMN Cc1ccc(CN2CCCN(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)CC2)cc1 ZINC000071793461 569698444 /nfs/dbraw/zinc/69/84/44/569698444.db2.gz QNPWPIURSIXVIU-ZEQRLZLVSA-N 0 1 477.649 4.511 50 0 JJAAMN O=S(=O)(Nc1ccc(Br)cc1F)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557170 569703330 /nfs/dbraw/zinc/70/33/30/569703330.db2.gz QZEUQKAQNCBCTN-UHFFFAOYSA-N 0 1 458.334 4.768 50 0 JJAAMN CCCCOc1ccc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1OC ZINC000078698657 569706426 /nfs/dbraw/zinc/70/64/26/569706426.db2.gz LRZLSFWHJKQEDH-UHFFFAOYSA-N 0 1 474.605 4.844 50 0 JJAAMN CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035829474 569712884 /nfs/dbraw/zinc/71/28/84/569712884.db2.gz XBUBDMKSEDVCCO-NDENLUEZSA-N 0 1 471.344 4.930 50 0 JJAAMN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccc(Br)cc1 ZINC000035843551 569714287 /nfs/dbraw/zinc/71/42/87/569714287.db2.gz VNFQDQOBRVDLLC-HSZRJFAPSA-N 0 1 493.467 4.570 50 0 JJAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)c1C ZINC000089570217 569718985 /nfs/dbraw/zinc/71/89/85/569718985.db2.gz GMIOYNWCYHYGJE-UHFFFAOYSA-N 0 1 493.629 4.810 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000035872067 569719101 /nfs/dbraw/zinc/71/91/01/569719101.db2.gz QJGVQPAASSNLOY-SHQCIBLASA-N 0 1 494.010 4.667 50 0 JJAAMN Cc1cc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1 ZINC000095511654 569725312 /nfs/dbraw/zinc/72/53/12/569725312.db2.gz KVCZRMQMSZEQBG-UHFFFAOYSA-N 0 1 450.586 4.889 50 0 JJAAMN COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096114047 569733117 /nfs/dbraw/zinc/73/31/17/569733117.db2.gz PAFDTEPYORNILQ-INIZCTEOSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN Cc1cccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c43)c(=O)[nH]c12 ZINC000096115430 569734420 /nfs/dbraw/zinc/73/44/20/569734420.db2.gz CUBQHZDITWMCEI-KRWDZBQOSA-N 0 1 465.461 4.757 50 0 biogenic JJAAMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(OC)cc2)c1CN(C)C ZINC000096593998 569742284 /nfs/dbraw/zinc/74/22/84/569742284.db2.gz FZNJMOXRSZCKTA-UHFFFAOYSA-N 0 1 489.366 4.565 50 0 JJAAMN CCCCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313945 569761665 /nfs/dbraw/zinc/76/16/65/569761665.db2.gz HWUHCAXEOGXAOP-HSZRJFAPSA-N 0 1 497.636 4.514 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC ZINC000036316518 569763301 /nfs/dbraw/zinc/76/33/01/569763301.db2.gz GBDVKPKFFPLJHD-QFIPXVFZSA-N 0 1 455.574 4.976 50 0 JJAAMN CC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(Cl)c2)CC1 ZINC000036340110 569763615 /nfs/dbraw/zinc/76/36/15/569763615.db2.gz UJEXLVWCVCCCSD-QHCPKHFHSA-N 0 1 451.014 4.589 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100948531 569777582 /nfs/dbraw/zinc/77/75/82/569777582.db2.gz PCGMEDOSPGFPJK-VSKRKVRLSA-N 0 1 452.869 4.539 50 0 JJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000101155963 569784913 /nfs/dbraw/zinc/78/49/13/569784913.db2.gz DATOMUUNBYGINO-BDTNDASRSA-N 0 1 485.323 4.759 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000101207379 569787054 /nfs/dbraw/zinc/78/70/54/569787054.db2.gz ZYUISDLOMKBHPH-ZLNRFVROSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000101223992 569787461 /nfs/dbraw/zinc/78/74/61/569787461.db2.gz QIFYGGOSVKHCEK-BDTNDASRSA-N 0 1 497.320 4.648 50 0 JJAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@@H](c2cccc(O)c2)C1 ZINC000101494873 569800010 /nfs/dbraw/zinc/80/00/10/569800010.db2.gz ZKKMQUNYQZNBLP-OAQYLSRUSA-N 0 1 491.956 4.948 50 0 JJAAMN CN(C)c1ccc([C@@H]2CC(c3c(O)n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495230 569800293 /nfs/dbraw/zinc/80/02/93/569800293.db2.gz XNBOJZDULNYVBL-IBGZPJMESA-N 0 1 452.605 4.583 50 0 JJAAMN COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@H](c3sccc3C)C2)c1O ZINC000101495401 569800346 /nfs/dbraw/zinc/80/03/46/569800346.db2.gz KUAAUCQNGAZTNJ-FQEVSTJZSA-N 0 1 491.594 4.968 50 0 JJAAMN CCc1cc([C@@H](c2cccc(OC)c2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546557 569803228 /nfs/dbraw/zinc/80/32/28/569803228.db2.gz CRHCNFNKTPAOBY-HSZRJFAPSA-N 0 1 483.634 4.900 50 0 JJAAMN COc1ccccc1-n1c(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101766774 569804751 /nfs/dbraw/zinc/80/47/51/569804751.db2.gz TXDMKSOPZZFJGU-JOCHJYFZSA-N 0 1 489.528 4.737 50 0 JJAAMN 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O=C(C1[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000103215099 569833892 /nfs/dbraw/zinc/83/38/92/569833892.db2.gz IRYHIPPUTYXBEF-UEXGIBASSA-N 0 1 464.827 4.547 50 0 JJAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982824 569847984 /nfs/dbraw/zinc/84/79/84/569847984.db2.gz XPYLENWWPXBGDT-IZZNHLLZSA-N 0 1 464.993 4.913 50 0 JJAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982826 569848088 /nfs/dbraw/zinc/84/80/88/569848088.db2.gz XPYLENWWPXBGDT-CLJLJLNGSA-N 0 1 464.993 4.913 50 0 JJAAMN CC(C)COC[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983719 569848212 /nfs/dbraw/zinc/84/82/12/569848212.db2.gz UPZRZSCKZXRLSC-DHIUTWEWSA-N 0 1 482.518 4.873 50 0 JJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000105061353 569852680 /nfs/dbraw/zinc/85/26/80/569852680.db2.gz IACWTMTVMHYQCM-RLWLMLJZSA-N 0 1 481.706 4.890 50 0 JJAAMN 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0 1 483.568 4.960 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)N2CCCC2)cc1 ZINC000009112717 554900174 /nfs/dbraw/zinc/90/01/74/554900174.db2.gz LWTCMAPTIQWYOL-RUZDIDTESA-N 0 1 468.557 4.979 50 0 JJAAMN Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1N1CCN(C)CC1 ZINC000009112871 554900194 /nfs/dbraw/zinc/90/01/94/554900194.db2.gz UAQBNDPEYQQLLA-VWLOTQADSA-N 0 1 491.035 4.900 50 0 JJAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000009117221 554906130 /nfs/dbraw/zinc/90/61/30/554906130.db2.gz SKZXEWMOTROZEH-UHFFFAOYSA-N 0 1 459.775 4.763 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009123911 554914649 /nfs/dbraw/zinc/91/46/49/554914649.db2.gz UNPDUNFUNGQFSQ-AREMUKBSSA-N 0 1 470.529 4.557 50 0 JJAAMN Cc1cc(C)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)[nH]n2)c(O)c1 ZINC000009124004 554914714 /nfs/dbraw/zinc/91/47/14/554914714.db2.gz QGSAKRHCNCRGOV-UHFFFAOYSA-N 0 1 476.558 4.725 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009124438 554915532 /nfs/dbraw/zinc/91/55/32/554915532.db2.gz STPYFRVDKLCLOA-RUZDIDTESA-N 0 1 454.530 4.938 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4F)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009127541 554922607 /nfs/dbraw/zinc/92/26/07/554922607.db2.gz IIVDEVFSHUTMGK-HXUWFJFHSA-N 0 1 477.521 4.682 50 0 JJAAMN CN1CCN(c2ccccc2NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)CC1 ZINC000009152942 554941778 /nfs/dbraw/zinc/94/17/78/554941778.db2.gz OGBVFTMFQXKDKZ-UHFFFAOYSA-N 0 1 464.013 4.934 50 0 JJAAMN CC(C)CN1c2cc(NS(=O)(=O)c3ccccc3Br)ccc2OCC(C)(C)C1=O ZINC000009172471 554954153 /nfs/dbraw/zinc/95/41/53/554954153.db2.gz IJAKRUFJOCWRSF-UHFFFAOYSA-N 0 1 481.412 4.658 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sccc3-c3ccccc3)cc2)n1 ZINC000009283048 555053640 /nfs/dbraw/zinc/05/36/40/555053640.db2.gz MGHAAXYGXIFZRM-UHFFFAOYSA-N 0 1 464.572 4.875 50 0 JJAAMN CCN(CC)c1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000009285208 555059240 /nfs/dbraw/zinc/05/92/40/555059240.db2.gz NXAHNDVNUUTVHL-UHFFFAOYSA-N 0 1 473.620 4.585 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009293080 555068094 /nfs/dbraw/zinc/06/80/94/555068094.db2.gz YLXASBXVIKXBAZ-RUZDIDTESA-N 0 1 461.468 4.857 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000009293111 555068135 /nfs/dbraw/zinc/06/81/35/555068135.db2.gz PLSRBLSLKYSDBW-SANMLTNESA-N 0 1 473.504 4.727 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2cccnc2SCc2cc(C)on2)N2CCCCC2)cc1 ZINC000009378071 555139726 /nfs/dbraw/zinc/13/97/26/555139726.db2.gz HPBYMVVWKZRKHR-QHCPKHFHSA-N 0 1 466.607 4.636 50 0 JJAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402974 555160978 /nfs/dbraw/zinc/16/09/78/555160978.db2.gz QHAAJNXBRWTNOE-CYFREDJKSA-N 0 1 483.659 4.813 50 0 JJAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402977 555160997 /nfs/dbraw/zinc/16/09/97/555160997.db2.gz QHAAJNXBRWTNOE-NTKDMRAZSA-N 0 1 483.659 4.813 50 0 JJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009408934 555172112 /nfs/dbraw/zinc/17/21/12/555172112.db2.gz OWTKEYHXVHTMGD-QYBDOPJKSA-N 0 1 477.561 4.694 50 0 JJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OCC ZINC000009408962 555172275 /nfs/dbraw/zinc/17/22/75/555172275.db2.gz OKIZROVOINRJQI-QYBDOPJKSA-N 0 1 477.561 4.694 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1OCC ZINC000009409130 555173070 /nfs/dbraw/zinc/17/30/70/555173070.db2.gz GCQHKGRRRBPVLM-SANMLTNESA-N 0 1 479.577 4.940 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1OC ZINC000009409106 555173134 /nfs/dbraw/zinc/17/31/34/555173134.db2.gz UMEYDTAMTFRKOO-VWLOTQADSA-N 0 1 465.550 4.550 50 0 JJAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc(Br)cc3)c2c1 ZINC000009421540 555187530 /nfs/dbraw/zinc/18/75/30/555187530.db2.gz ZHJPLPHHCAXNSU-JOCHJYFZSA-N 0 1 465.351 4.758 50 0 JJAAMN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000009461065 555228350 /nfs/dbraw/zinc/22/83/50/555228350.db2.gz KJOLQPJCGOOCMB-SFHVURJKSA-N 0 1 493.604 4.644 50 0 JJAAMN COc1ccc(CNC(=O)C2CCN(Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1 ZINC000009490452 555265843 /nfs/dbraw/zinc/26/58/43/555265843.db2.gz VDFGZTCEJGURCG-UHFFFAOYSA-N 0 1 498.421 4.950 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1 ZINC000009529531 555323759 /nfs/dbraw/zinc/32/37/59/555323759.db2.gz VSLJYXRFYAIVQL-UHFFFAOYSA-N 0 1 472.998 4.843 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1 ZINC000009634888 555341068 /nfs/dbraw/zinc/34/10/68/555341068.db2.gz HRWUKNVZIHIWMT-UHFFFAOYSA-N 0 1 456.589 4.676 50 0 JJAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000009604192 555430605 /nfs/dbraw/zinc/43/06/05/555430605.db2.gz KRFSWPXXEYZUGT-UHFFFAOYSA-N 0 1 460.408 4.890 50 0 JJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738175 555469832 /nfs/dbraw/zinc/46/98/32/555469832.db2.gz ZNKALGQPMXHTDS-UHFFFAOYSA-N 0 1 486.037 4.525 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SCc1cccs1 ZINC000009745980 555477753 /nfs/dbraw/zinc/47/77/53/555477753.db2.gz YSBAYBKUEDYEPI-UHFFFAOYSA-N 0 1 482.612 4.884 50 0 JJAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(CO)cc1 ZINC000009824260 555525430 /nfs/dbraw/zinc/52/54/30/555525430.db2.gz YPCCNKRHJGDPSY-UHFFFAOYSA-N 0 1 451.331 4.539 50 0 JJAAMN Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o/c2=N\O)cc1 ZINC000013939947 555649888 /nfs/dbraw/zinc/64/98/88/555649888.db2.gz HWIISLDYIPJLME-FXBPSFAMSA-N 0 1 452.102 4.808 50 0 JJAAMN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000014094251 555686461 /nfs/dbraw/zinc/68/64/61/555686461.db2.gz QIKKGHUHGBQHSI-XMMPIXPASA-N 0 1 456.546 4.708 50 0 JJAAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nc(-c3ccccc3)n[nH]1)CC2 ZINC000014094998 555687379 /nfs/dbraw/zinc/68/73/79/555687379.db2.gz NBJFYFYDVZSGSU-RUZDIDTESA-N 0 1 486.597 4.755 50 0 JJAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[nH]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000010433706 555708111 /nfs/dbraw/zinc/70/81/11/555708111.db2.gz OKNUSPUGVXJDAA-HXUWFJFHSA-N 0 1 485.631 4.544 50 0 JJAAMN COc1cccc(C[C@H](C2CCN(Cc3cc(OC)ccc3OC)CC2)N(C)C(=O)c2ccco2)c1 ZINC000011782749 555813335 /nfs/dbraw/zinc/81/33/35/555813335.db2.gz KMCBOSNJJBOJPD-AREMUKBSSA-N 0 1 492.616 4.901 50 0 JJAAMN COc1cc(OC)c(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1Cl ZINC000020574576 555829185 /nfs/dbraw/zinc/82/91/85/555829185.db2.gz BKQXRUOIDZXUCM-UHFFFAOYSA-N 0 1 469.973 4.610 50 0 JJAAMN COc1cc(-c2nc(CN3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)cc2c1OCO2 ZINC000011819820 555831179 /nfs/dbraw/zinc/83/11/79/555831179.db2.gz KVDCGMXGCZNJFR-LJQANCHMSA-N 0 1 450.470 4.740 50 0 JJAAMN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1C(F)(F)F ZINC000020604355 555845212 /nfs/dbraw/zinc/84/52/12/555845212.db2.gz LQZWNFXXVVHUIF-UHFFFAOYSA-N 0 1 462.497 4.954 50 0 JJAAMN O=C(NCCc1ccccc1Cl)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000020644490 555846606 /nfs/dbraw/zinc/84/66/06/555846606.db2.gz VMHJOFBMKFRPRD-UHFFFAOYSA-N 0 1 456.011 4.878 50 0 JJAAMN COc1ccc(OC)c(NC(=O)c2cc3cc(C4(O)CCN(Cc5ccccn5)CC4)ccc3o2)c1 ZINC000015004077 555849185 /nfs/dbraw/zinc/84/91/85/555849185.db2.gz GMMVFUQDPYROFU-UHFFFAOYSA-N 0 1 487.556 4.581 50 0 JJAAMN c1ccc(CCSc2nnc(C3CCN(Cc4cccnc4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000015007438 555851891 /nfs/dbraw/zinc/85/18/91/555851891.db2.gz CCHHRYAGEKEHTF-XMMPIXPASA-N 0 1 463.651 4.567 50 0 JJAAMN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000021585234 555852930 /nfs/dbraw/zinc/85/29/30/555852930.db2.gz HWYCQSWKIVMKAA-UHFFFAOYSA-N 0 1 451.586 4.838 50 0 JJAAMN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)[nH]n2)c(O)c1 ZINC000011913754 555863673 /nfs/dbraw/zinc/86/36/73/555863673.db2.gz JMMFSUBVYRQEAR-UHFFFAOYSA-N 0 1 476.558 4.806 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000011916387 555867566 /nfs/dbraw/zinc/86/75/66/555867566.db2.gz PKNPVIBKMXSPBE-RUZDIDTESA-N 0 1 459.502 4.836 50 0 JJAAMN CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000012037640 555890689 /nfs/dbraw/zinc/89/06/89/555890689.db2.gz KKOHAORHZZGIBN-VWLOTQADSA-N 0 1 451.014 4.669 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000012051982 555896339 /nfs/dbraw/zinc/89/63/39/555896339.db2.gz UROLGCIPUSSNGI-HSZRJFAPSA-N 0 1 486.513 4.949 50 0 JJAAMN Cc1cccc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)n1 ZINC000012135699 555913466 /nfs/dbraw/zinc/91/34/66/555913466.db2.gz JSJJZQZWNSPKFQ-VWLOTQADSA-N 0 1 477.678 4.875 50 0 JJAAMN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852778 555960201 /nfs/dbraw/zinc/96/02/01/555960201.db2.gz ALVOYYSAXDCYIB-QHCPKHFHSA-N 0 1 461.635 4.835 50 0 JJAAMN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NCCN3CCN(C)CC3)c2c1C ZINC000022926794 555978167 /nfs/dbraw/zinc/97/81/67/555978167.db2.gz SVBBNKFLAQBZJV-UHFFFAOYSA-N 0 1 462.088 4.913 50 0 JJAAMN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(OC)cc1OC)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733825 555979421 /nfs/dbraw/zinc/97/94/21/555979421.db2.gz IPHKHGQJNDAVSO-UHFFFAOYSA-N 0 1 456.564 4.703 50 0 JJAAMN Cc1cnc(-n2ncc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000012456125 555981583 /nfs/dbraw/zinc/98/15/83/555981583.db2.gz KGRBWKKPSZLAPT-NRFANRHFSA-N 0 1 484.629 4.581 50 0 JJAAMN CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000022936219 555988543 /nfs/dbraw/zinc/98/85/43/555988543.db2.gz MJQVIIXWICJDJK-UHFFFAOYSA-N 0 1 477.653 4.509 50 0 JJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)c1 ZINC000012521119 555992231 /nfs/dbraw/zinc/99/22/31/555992231.db2.gz PAXZIKXXXUIJET-HSZRJFAPSA-N 0 1 481.618 4.654 50 0 JJAAMN CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)cc1 ZINC000012536214 556009307 /nfs/dbraw/zinc/00/93/07/556009307.db2.gz HNIYHASJQHSEOP-UHFFFAOYSA-N 0 1 499.677 4.805 50 0 JJAAMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000012540280 556014002 /nfs/dbraw/zinc/01/40/02/556014002.db2.gz FGXCTOGPMWLOIZ-CJFMBICVSA-N 0 1 474.022 4.944 50 0 JJAAMN COc1ccc(CC(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862027 556034409 /nfs/dbraw/zinc/03/44/09/556034409.db2.gz MKKUDIWCTJYMFF-UHFFFAOYSA-N 0 1 481.599 4.904 50 0 JJAAMN CC(=O)Nc1ccc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862051 556034782 /nfs/dbraw/zinc/03/47/82/556034782.db2.gz IZFWXNIYOMSMSZ-UHFFFAOYSA-N 0 1 494.598 4.925 50 0 JJAAMN O=C(NCCCN1CCCC1=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023334265 556043642 /nfs/dbraw/zinc/04/36/42/556043642.db2.gz SFGZZMVMHKOGOC-UHFFFAOYSA-N 0 1 456.468 4.505 50 0 JJAAMN CC[C@@H](NCc1cnc(SC)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023334771 556044042 /nfs/dbraw/zinc/04/40/42/556044042.db2.gz MZLDJGHHYXMOPZ-HSZRJFAPSA-N 0 1 451.615 4.905 50 0 JJAAMN Cc1cccn2c(=O)cc(CN3CCN(Cc4ccc(-c5ccccc5Cl)s4)CC3)nc12 ZINC000024745993 556147816 /nfs/dbraw/zinc/14/78/16/556147816.db2.gz NKQRRPYOXDRLPL-UHFFFAOYSA-N 0 1 465.022 4.703 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N(C)C)c1 ZINC000012937126 556151756 /nfs/dbraw/zinc/15/17/56/556151756.db2.gz AFLXHEMHCKGKGH-FQEVSTJZSA-N 0 1 457.983 4.695 50 0 JJAAMN COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCN(c4ccccc4)CC3)c(C)c2O)cc1 ZINC000024987048 556170078 /nfs/dbraw/zinc/17/00/78/556170078.db2.gz PCPWLTCTAROBQS-UHFFFAOYSA-N 0 1 484.600 4.967 50 0 JJAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000012987571 556182162 /nfs/dbraw/zinc/18/21/62/556182162.db2.gz KIORNLOZNXGYKX-OAQYLSRUSA-N 0 1 492.066 4.649 50 0 JJAAMN CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000017053570 556214133 /nfs/dbraw/zinc/21/41/33/556214133.db2.gz MYIUWWMJRYAURX-UHFFFAOYSA-N 0 1 485.573 4.606 50 0 JJAAMN O=C(Nc1ccc(C(F)(F)F)cc1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000017155698 556228579 /nfs/dbraw/zinc/22/85/79/556228579.db2.gz BLIZOHJYLPJEOW-UHFFFAOYSA-N 0 1 455.845 4.807 50 0 JJAAMN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000017178283 556233216 /nfs/dbraw/zinc/23/32/16/556233216.db2.gz REIHFVXHDULAMA-UHFFFAOYSA-N 0 1 471.376 4.843 50 0 JJAAMN CCOc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000017307853 556255723 /nfs/dbraw/zinc/25/57/23/556255723.db2.gz VZISCNHOCGJIRB-UHFFFAOYSA-N 0 1 470.601 4.634 50 0 JJAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccccc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000017315335 556257007 /nfs/dbraw/zinc/25/70/07/556257007.db2.gz VRXUCLKSHINUSC-UHFFFAOYSA-N 0 1 484.628 4.943 50 0 JJAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4)[nH]c(=O)c3sc2=S)cc1 ZINC000017315327 556257092 /nfs/dbraw/zinc/25/70/92/556257092.db2.gz JSFGBQQLRBBZKO-UHFFFAOYSA-N 0 1 484.628 4.943 50 0 JJAAMN COc1ccc(-c2n[nH]c(S[C@@H]3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)n2)cc1 ZINC000018119187 556290029 /nfs/dbraw/zinc/29/00/29/556290029.db2.gz CFTDPSBNSMEAJR-OAQYLSRUSA-N 0 1 472.526 4.697 50 0 JJAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000018126228 556291566 /nfs/dbraw/zinc/29/15/66/556291566.db2.gz CLFLKKAXZPKSEK-SMIHKQSGSA-N 0 1 478.932 4.804 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000018152090 556294682 /nfs/dbraw/zinc/29/46/82/556294682.db2.gz YRLAJCYNFMQPET-ZLNRFVROSA-N 0 1 493.357 4.817 50 0 JJAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018168383 556297598 /nfs/dbraw/zinc/29/75/98/556297598.db2.gz FPNWRGDFUMDEGI-BDTNDASRSA-N 0 1 463.331 4.809 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)N2CCCCC2)cc1 ZINC000027669153 556303953 /nfs/dbraw/zinc/30/39/53/556303953.db2.gz BTZRXTASNAPVAO-HXUWFJFHSA-N 0 1 467.591 4.867 50 0 JJAAMN CCCCOc1c(Cl)cc(C(=O)N2CCCN(CCc3ccncc3)CC2)cc1Cl ZINC000027745504 556305047 /nfs/dbraw/zinc/30/50/47/556305047.db2.gz SSJPDTNAWFCHSY-UHFFFAOYSA-N 0 1 450.410 4.958 50 0 JJAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)c1 ZINC000013110775 556311653 /nfs/dbraw/zinc/31/16/53/556311653.db2.gz HCLBEDXJIRRWMK-DEOSSOPVSA-N 0 1 460.921 4.893 50 0 JJAAMN Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)s2)c1 ZINC000027989841 556311760 /nfs/dbraw/zinc/31/17/60/556311760.db2.gz KWDASGSMZGODEQ-UHFFFAOYSA-N 0 1 466.544 4.817 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000018957503 556325875 /nfs/dbraw/zinc/32/58/75/556325875.db2.gz WPISFAREPGIGOT-HXUWFJFHSA-N 0 1 452.580 4.507 50 0 JJAAMN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028291775 556328700 /nfs/dbraw/zinc/32/87/00/556328700.db2.gz RAIRKJIOJPWFIT-IBGZPJMESA-N 0 1 455.352 4.513 50 0 JJAAMN O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029956573 556360855 /nfs/dbraw/zinc/36/08/55/556360855.db2.gz PQZIJJOHEHFXNA-UNMCSNQZSA-N 0 1 480.446 4.577 50 0 JJAAMN Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1Cl ZINC000019831003 556398079 /nfs/dbraw/zinc/39/80/79/556398079.db2.gz OPBJBEMLGNCPSE-RUZDIDTESA-N 0 1 474.004 4.688 50 0 JJAAMN COc1cc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4cc(F)ccc42)CC3)cc(OC)c1OC ZINC000031814672 556407077 /nfs/dbraw/zinc/40/70/77/556407077.db2.gz GKHIYOOYNAZHOA-QFIPXVFZSA-N 0 1 497.548 4.640 50 0 JJAAMN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032092252 556414816 /nfs/dbraw/zinc/41/48/16/556414816.db2.gz NARUUXFEGPTAAB-IBGZPJMESA-N 0 1 452.864 4.573 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)NCc4ccc(C)cc4)[nH]c(=O)c3sc2=S)c1 ZINC000032948280 556563315 /nfs/dbraw/zinc/56/33/15/556563315.db2.gz DFKZOWBAPQWABU-UHFFFAOYSA-N 0 1 484.628 4.643 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4cccc(C)c4)[nH]c(=O)c3sc2=S)c1 ZINC000032948287 556563411 /nfs/dbraw/zinc/56/34/11/556563411.db2.gz OTJJZMPYNHFESX-UHFFFAOYSA-N 0 1 470.601 4.553 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4C)[nH]c(=O)c3sc2=S)c1 ZINC000032948291 556563419 /nfs/dbraw/zinc/56/34/19/556563419.db2.gz ABQKRRIAXXPDMJ-UHFFFAOYSA-N 0 1 484.628 4.861 50 0 JJAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)cc1 ZINC000008568492 562939658 /nfs/dbraw/zinc/93/96/58/562939658.db2.gz NBAKRVSHQRPFPD-UHFFFAOYSA-N 0 1 476.558 4.558 50 0 JJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)Nc3ccccc3Br)cc12 ZINC000008595788 562944140 /nfs/dbraw/zinc/94/41/40/562944140.db2.gz QATHEGMSIGERSI-UHFFFAOYSA-N 0 1 454.372 4.702 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1 ZINC000008720250 562954768 /nfs/dbraw/zinc/95/47/68/562954768.db2.gz QNGWMWHECGNBSS-UHFFFAOYSA-N 0 1 471.604 4.718 50 0 JJAAMN C[NH+](C)C1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CCCCC1 ZINC000033019870 563110319 /nfs/dbraw/zinc/11/03/19/563110319.db2.gz ZRRJEAAPXGJTOC-UHFFFAOYSA-N 0 1 484.449 4.789 50 0 JJAAMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000034783166 563114994 /nfs/dbraw/zinc/11/49/94/563114994.db2.gz XBDLIAMFDAPGOF-DHLKQENFSA-N 0 1 493.604 4.691 50 0 JJAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000008695480 569593440 /nfs/dbraw/zinc/59/34/40/569593440.db2.gz QCIYVZIAYZGTKY-YIXXDRMTSA-N 0 1 486.959 4.701 50 0 JJAAMN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057121052 569594546 /nfs/dbraw/zinc/59/45/46/569594546.db2.gz RHIBDXKMQJLMGR-BYSIJJKSSA-N 0 1 497.982 4.663 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2cccc(C)c2)c1 ZINC000057227584 569594915 /nfs/dbraw/zinc/59/49/15/569594915.db2.gz KDRGSJWXABSOCP-UHFFFAOYSA-N 0 1 487.600 4.511 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000057222974 569594975 /nfs/dbraw/zinc/59/49/75/569594975.db2.gz HKBXVAWQZXUXLE-UHFFFAOYSA-N 0 1 461.537 4.577 50 0 JJAAMN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(F)cc3)CC1)n2C ZINC000057264451 569595140 /nfs/dbraw/zinc/59/51/40/569595140.db2.gz XLVQHXADNZUDDB-UHFFFAOYSA-N 0 1 471.580 4.638 50 0 JJAAMN Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000057264443 569595186 /nfs/dbraw/zinc/59/51/86/569595186.db2.gz HVZHLKGBKYLRPK-UHFFFAOYSA-N 0 1 491.998 4.983 50 0 JJAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000057312350 569596346 /nfs/dbraw/zinc/59/63/46/569596346.db2.gz VNMKUMKJCYJSLF-MRXNPFEDSA-N 0 1 452.352 4.991 50 0 JJAAMN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000008718511 569597102 /nfs/dbraw/zinc/59/71/02/569597102.db2.gz IMAKRLNKXHGNGL-UHFFFAOYSA-N 0 1 468.619 4.595 50 0 JJAAMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000008727147 569601151 /nfs/dbraw/zinc/60/11/51/569601151.db2.gz YRKWIUHEKZSVPM-QFIPXVFZSA-N 0 1 463.603 4.886 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000008735060 569601912 /nfs/dbraw/zinc/60/19/12/569601912.db2.gz FGPJYSQOURRGEX-JTQLQIEISA-N 0 1 453.351 4.915 50 0 JJAAMN Cc1ccc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(F)c(Cl)c3)cc(=O)n2c1 ZINC000033026206 569620967 /nfs/dbraw/zinc/62/09/67/569620967.db2.gz WPSUESYZUJAWJV-UHFFFAOYSA-N 0 1 489.981 4.889 50 0 JJAAMN O=C1N(Cc2ccccc2Cl)CCCN1c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000034737604 569654545 /nfs/dbraw/zinc/65/45/45/569654545.db2.gz YXTOPUDRIMYVFB-UHFFFAOYSA-N 0 1 455.967 4.973 50 0 JJAAMN CCN1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccc(OC)cc4)cc32)CC1 ZINC000034790979 569660123 /nfs/dbraw/zinc/66/01/23/569660123.db2.gz XBUFNBHTBPPTIT-UHFFFAOYSA-N 0 1 456.546 4.769 50 0 JJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000034830526 569663915 /nfs/dbraw/zinc/66/39/15/569663915.db2.gz FIZHXPKOFMSLRV-CJAUYULYSA-N 0 1 497.661 4.659 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)CC(C)(C)C)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831299 569664146 /nfs/dbraw/zinc/66/41/46/569664146.db2.gz NVPLHSPBGDSASM-UHFFFAOYSA-N 0 1 457.638 4.635 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)NC3CCCCC3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831356 569664097 /nfs/dbraw/zinc/66/40/97/569664097.db2.gz DNUPXAXUQRLAGC-UHFFFAOYSA-N 0 1 466.674 4.575 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Nc1cccc(F)c1 ZINC000034831354 569664228 /nfs/dbraw/zinc/66/42/28/569664228.db2.gz JWCVXTZDGRFROS-UHFFFAOYSA-N 0 1 464.589 4.516 50 0 JJAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)CC(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034832137 569664421 /nfs/dbraw/zinc/66/44/21/569664421.db2.gz DVYJKFOOCWNVMX-UHFFFAOYSA-N 0 1 453.675 4.743 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)C(C)(C)C ZINC000034832052 569664462 /nfs/dbraw/zinc/66/44/62/569664462.db2.gz SRLXFRGAYMTPGE-LJQANCHMSA-N 0 1 457.638 4.635 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)Cc1cccs1 ZINC000034834964 569665005 /nfs/dbraw/zinc/66/50/05/569665005.db2.gz HGOLOXPATWDVPL-OAQYLSRUSA-N 0 1 479.694 4.754 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137472 569668436 /nfs/dbraw/zinc/66/84/36/569668436.db2.gz PBUOHOLRZWMKJO-UHFFFAOYSA-N 0 1 479.027 4.537 50 0 JJAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000065322248 569674731 /nfs/dbraw/zinc/67/47/31/569674731.db2.gz BEMUGVCJLJMZBG-UHFFFAOYSA-N 0 1 450.583 4.948 50 0 JJAAMN COc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2)ccc1OCc1c(C)noc1C ZINC000065551875 569675833 /nfs/dbraw/zinc/67/58/33/569675833.db2.gz UZKLKCCJHAAJND-UHFFFAOYSA-N 0 1 467.591 4.680 50 0 JJAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035372828 569683213 /nfs/dbraw/zinc/68/32/13/569683213.db2.gz MFZQGGDLGHGHCS-UHFFFAOYSA-N 0 1 471.026 4.652 50 0 JJAAMN Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(F)cc1 ZINC000035372864 569683256 /nfs/dbraw/zinc/68/32/56/569683256.db2.gz UMBPVRBFOFIJHI-UHFFFAOYSA-N 0 1 458.990 4.783 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(C)cc1 ZINC000035372845 569683383 /nfs/dbraw/zinc/68/33/83/569683383.db2.gz WYESHUDXRCQBMJ-UHFFFAOYSA-N 0 1 471.026 4.652 50 0 JJAAMN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)OC(C(=O)c2cccs2)c2cccs2)C1 ZINC000069375478 569692801 /nfs/dbraw/zinc/69/28/01/569692801.db2.gz SUTSSHQGTQNDJR-MHECFPHRSA-N 0 1 483.611 4.985 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1OC ZINC000035512487 569698464 /nfs/dbraw/zinc/69/84/64/569698464.db2.gz NQUHLOZIHJDPCI-UHFFFAOYSA-N 0 1 457.533 4.592 50 0 JJAAMN O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4Cl)N4CCCCCC4)c3=O)c2N1 ZINC000035671338 569706149 /nfs/dbraw/zinc/70/61/49/569706149.db2.gz FNJYCIZTJGSBBY-MRXNPFEDSA-N 0 1 475.039 4.773 50 0 JJAAMN Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4cccs4)[nH]n(-c4ccccc4)c3=O)C2=O)c1 ZINC000035829462 569712898 /nfs/dbraw/zinc/71/28/98/569712898.db2.gz XMCHFLYLZBSQIP-HAHDFKILSA-N 0 1 470.554 4.632 50 0 JJAAMN COc1cc(Nc2nc(C(=O)N3CCN(C4CCCCC4)CC3)cc3occc32)cc(OC)c1OC ZINC000085651329 569713232 /nfs/dbraw/zinc/71/32/32/569713232.db2.gz MSHRJJKYEORJEE-UHFFFAOYSA-N 0 1 494.592 4.688 50 0 JJAAMN CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035836788 569713462 /nfs/dbraw/zinc/71/34/62/569713462.db2.gz NWKNQXPBYGTHSJ-JAIQZWGSSA-N 0 1 471.344 4.848 50 0 JJAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)O ZINC000035842615 569714221 /nfs/dbraw/zinc/71/42/21/569714221.db2.gz DFSJDMWZYTUEFP-HSZRJFAPSA-N 0 1 493.692 4.756 50 0 JJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000085875572 569715885 /nfs/dbraw/zinc/71/58/85/569715885.db2.gz LZYUOQSKGUSALV-KRWDZBQOSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035871398 569718571 /nfs/dbraw/zinc/71/85/71/569718571.db2.gz REIKCLCKTQUTHI-UNMCSNQZSA-N 0 1 463.931 4.501 50 0 JJAAMN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871437 569718846 /nfs/dbraw/zinc/71/88/46/569718846.db2.gz QSOSOQCWOHHERG-JFJYTDJESA-N 0 1 463.519 4.622 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871760 569718881 /nfs/dbraw/zinc/71/88/81/569718881.db2.gz MERTWDHXFPMKRY-WIJPHRNOSA-N 0 1 473.592 4.575 50 0 JJAAMN COc1ccc2c(CC(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccccc4OC)c3)coc2c1 ZINC000089651356 569719368 /nfs/dbraw/zinc/71/93/68/569719368.db2.gz NKSVBWLADOPBKW-UHFFFAOYSA-N 0 1 480.542 4.740 50 0 JJAAMN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035908049 569723614 /nfs/dbraw/zinc/72/36/14/569723614.db2.gz VJSJAAOSEDNDGH-LADGPHEKSA-N 0 1 477.546 4.870 50 0 JJAAMN c1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(Cc4ccccn4)CC3)c12 ZINC000035925673 569729047 /nfs/dbraw/zinc/72/90/47/569729047.db2.gz IMMADLWJIGYKHL-UHFFFAOYSA-N 0 1 475.600 4.514 50 0 JJAAMN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096114296 569733484 /nfs/dbraw/zinc/73/34/84/569733484.db2.gz IEOGBPONBHGDBB-MRXNPFEDSA-N 0 1 452.418 4.713 50 0 biogenic JJAAMN Cc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c43)c(=O)c2c1 ZINC000096114783 569733861 /nfs/dbraw/zinc/73/38/61/569733861.db2.gz NYMNAARJAWTVJU-MRXNPFEDSA-N 0 1 482.444 4.727 50 0 biogenic JJAAMN COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c43)c(=O)c2c1 ZINC000096115991 569735124 /nfs/dbraw/zinc/73/51/24/569735124.db2.gz SJAYSISSMATSJC-MRXNPFEDSA-N 0 1 482.444 4.722 50 0 biogenic JJAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000096523420 569740829 /nfs/dbraw/zinc/74/08/29/569740829.db2.gz VVFBDLAJJMOIBX-UHFFFAOYSA-N 0 1 467.617 4.935 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036316519 569763157 /nfs/dbraw/zinc/76/31/57/569763157.db2.gz GBDVKPKFFPLJHD-JOCHJYFZSA-N 0 1 455.574 4.976 50 0 JJAAMN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@@H]2C)c(OC)c1 ZINC000036344229 569766864 /nfs/dbraw/zinc/76/68/64/569766864.db2.gz PNKCHSXWLUQKDV-SBUREZEXSA-N 0 1 455.986 4.909 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036346613 569770451 /nfs/dbraw/zinc/77/04/51/569770451.db2.gz FWZPTXDDBYEBFN-NRFANRHFSA-N 0 1 459.537 4.861 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)N2CCCC2)c1 ZINC000036674185 569779865 /nfs/dbraw/zinc/77/98/65/569779865.db2.gz PZPAGXCEKODFHC-VWLOTQADSA-N 0 1 490.600 4.858 50 0 JJAAMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000037210658 569781679 /nfs/dbraw/zinc/78/16/79/569781679.db2.gz PEFBEEUTZQVFCX-PGRDOPGGSA-N 0 1 465.619 4.857 50 0 JJAAMN COc1cccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)c1 ZINC000037572244 569795826 /nfs/dbraw/zinc/79/58/26/569795826.db2.gz PRFULSQCQXWXMG-UHFFFAOYSA-N 0 1 454.567 4.694 50 0 JJAAMN COc1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037588165 569796879 /nfs/dbraw/zinc/79/68/79/569796879.db2.gz WPNUUSDTHOTJAX-UHFFFAOYSA-N 0 1 494.613 4.592 50 0 JJAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=Nc2ccccc2S[C@H](c2ccc(O)cc2)C1 ZINC000101766729 569804670 /nfs/dbraw/zinc/80/46/70/569804670.db2.gz OSHDZICUJCRORW-NRFANRHFSA-N 0 1 491.956 4.948 50 0 JJAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@@H](c2ccc(O)cc2)C1 ZINC000101766867 569805005 /nfs/dbraw/zinc/80/50/05/569805005.db2.gz UMSIGVHAPCUAOE-OAQYLSRUSA-N 0 1 491.956 4.948 50 0 JJAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@@H](c2cccnc2)C1 ZINC000101766880 569805080 /nfs/dbraw/zinc/80/50/80/569805080.db2.gz AVFNOTYEDFMLBO-HXUWFJFHSA-N 0 1 476.945 4.638 50 0 JJAAMN CCCn1c(CN[C@H](c2ccc(CC)cc2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000039992453 569813406 /nfs/dbraw/zinc/81/34/06/569813406.db2.gz MPQILHVUSWNBNS-VWLOTQADSA-N 0 1 456.656 4.746 50 0 JJAAMN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc54)[C@H]3C2=O)c1 ZINC000102707400 569816569 /nfs/dbraw/zinc/81/65/69/569816569.db2.gz NXNRZMZYTUWXGY-UODIDJSMSA-N 0 1 450.494 4.900 50 0 JJAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(Cl)c2Cl)c1 ZINC000040284890 569823533 /nfs/dbraw/zinc/82/35/33/569823533.db2.gz KWINKALUJWNTJI-FQEVSTJZSA-N 0 1 459.333 4.991 50 0 JJAAMN Cc1c(Cl)cccc1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450447 569828597 /nfs/dbraw/zinc/82/85/97/569828597.db2.gz DORAOMGYBKSFFF-UHFFFAOYSA-N 0 1 469.788 4.511 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000103215106 569833884 /nfs/dbraw/zinc/83/38/84/569833884.db2.gz GRNURWLLVAXAIO-UEXGIBASSA-N 0 1 464.827 4.547 50 0 JJAAMN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c23)cc1 ZINC000103528997 569835874 /nfs/dbraw/zinc/83/58/74/569835874.db2.gz VZDNATKYVOFSSX-RBBKRZOGSA-N 0 1 466.324 4.785 50 0 JJAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983959 569848455 /nfs/dbraw/zinc/84/84/55/569848455.db2.gz CNPGBJQSGNXOQF-IZZNHLLZSA-N 0 1 466.528 4.538 50 0 JJAAMN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000052606399 569852417 /nfs/dbraw/zinc/85/24/17/569852417.db2.gz QALZMADIBPQZAZ-PXNSSMCTSA-N 0 1 462.541 4.842 50 0 JJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000105061415 569852719 /nfs/dbraw/zinc/85/27/19/569852719.db2.gz FIZHXPKOFMSLRV-IQGLISFBSA-N 0 1 497.661 4.659 50 0 JJAAMN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677693 569868850 /nfs/dbraw/zinc/86/88/50/569868850.db2.gz QSOSOQCWOHHERG-YTJPUZGESA-N 0 1 463.519 4.622 50 0 JJAAMN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677695 569868853 /nfs/dbraw/zinc/86/88/53/569868853.db2.gz QSOSOQCWOHHERG-YROCYRMSSA-N 0 1 463.519 4.622 50 0 JJAAMN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)Cc1ccccc1 ZINC000169679028 569869416 /nfs/dbraw/zinc/86/94/16/569869416.db2.gz LYGLZGJXFZAWCO-ICSRJNTNSA-N 0 1 453.652 4.561 50 0 JJAAMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)N(Cc3ccc(F)cc3F)C2)C1 ZINC000169679493 569869696 /nfs/dbraw/zinc/86/96/96/569869696.db2.gz UEPLITUZENKSFC-RQTOMXEWSA-N 0 1 470.560 4.720 50 0 JJAAMN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000169681581 569870829 /nfs/dbraw/zinc/87/08/29/569870829.db2.gz KSMMBAGXRONPML-RPLLCQBOSA-N 0 1 492.685 4.875 50 0 JJAAMN C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000226313470 570037451 /nfs/dbraw/zinc/03/74/51/570037451.db2.gz YLEHMJUQHQEBPX-FRHSMZNCSA-N 0 1 486.741 4.694 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000226838831 570038939 /nfs/dbraw/zinc/03/89/39/570038939.db2.gz ZKNBHWFVWAVUHP-OSSDZZHWSA-N 0 1 466.512 4.696 50 0 JJAAMN Nc1cc(N)nc(SCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)n1 ZINC000229864227 570041636 /nfs/dbraw/zinc/04/16/36/570041636.db2.gz ICQZVIZKOBZAHP-JSHKVMGJSA-N 0 1 470.602 4.556 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2C)c(OC)c1 ZINC000238923555 570047840 /nfs/dbraw/zinc/04/78/40/570047840.db2.gz OUCXTBPREUSLHD-SMIHKQSGSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Br)cc4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000239287499 570050121 /nfs/dbraw/zinc/05/01/21/570050121.db2.gz CWWKVNPKUFVXGT-VSKRKVRLSA-N 0 1 479.330 4.509 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245310292 570063228 /nfs/dbraw/zinc/06/32/28/570063228.db2.gz IANPEITYHOBCRU-NXNJFABFSA-N 0 1 468.940 4.902 50 0 JJAAMN O=C(CN(C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247727228 570068965 /nfs/dbraw/zinc/06/89/65/570068965.db2.gz DJZUXWJSBLCUER-CLJLJLNGSA-N 0 1 476.642 4.699 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000247903054 570071045 /nfs/dbraw/zinc/07/10/45/570071045.db2.gz JAAKVDVILGRSSK-RUZDIDTESA-N 0 1 482.628 4.930 50 0 JJAAMN COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000247916710 570071182 /nfs/dbraw/zinc/07/11/82/570071182.db2.gz WKXYDWFOPBVHPC-NRFANRHFSA-N 0 1 472.564 4.702 50 0 JJAAMN COc1ccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000247916710 570071183 /nfs/dbraw/zinc/07/11/83/570071183.db2.gz WKXYDWFOPBVHPC-NRFANRHFSA-N 0 1 472.564 4.702 50 0 JJAAMN CCCNC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247962547 570071676 /nfs/dbraw/zinc/07/16/76/570071676.db2.gz AGLFEHWQQAZKGK-KRWDZBQOSA-N 0 1 455.400 4.526 50 0 JJAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000247985828 570072152 /nfs/dbraw/zinc/07/21/52/570072152.db2.gz INVFYEJRKXCUNN-OAQYLSRUSA-N 0 1 480.056 4.831 50 0 JJAAMN CC(C)n1c(CN2CCC[C@@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000247992985 570072283 /nfs/dbraw/zinc/07/22/83/570072283.db2.gz LIFAAPZSWYHDRU-HXUWFJFHSA-N 0 1 498.046 4.971 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000248081975 570073608 /nfs/dbraw/zinc/07/36/08/570073608.db2.gz JAHIGQHMHKOWAF-AREMUKBSSA-N 0 1 496.655 4.973 50 0 JJAAMN 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523267323 /nfs/dbraw/zinc/26/73/23/523267323.db2.gz SWSIOVKYVPSAQN-KRWDZBQOSA-N 0 1 461.031 4.735 50 0 JJAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000033170632 523438953 /nfs/dbraw/zinc/43/89/53/523438953.db2.gz SEBIFPJIQGJHPI-BENRWUELSA-N 0 1 455.536 4.538 50 0 JJAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000014882142 523483371 /nfs/dbraw/zinc/48/33/71/523483371.db2.gz FOLLTDVIHXPQLS-UHFFFAOYSA-N 0 1 456.633 4.612 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306028 523734445 /nfs/dbraw/zinc/73/44/45/523734445.db2.gz XWOGRYPRKUYWSS-QFIPXVFZSA-N 0 1 497.636 4.512 50 0 JJAAMN CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1 ZINC000004142919 523859341 /nfs/dbraw/zinc/85/93/41/523859341.db2.gz TXASOBSTKPCXCN-XMMPIXPASA-N 0 1 491.632 4.801 50 0 JJAAMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1 ZINC000004142910 523860093 /nfs/dbraw/zinc/86/00/93/523860093.db2.gz 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524683249 /nfs/dbraw/zinc/68/32/49/524683249.db2.gz FNLNBGWKQRGXAO-UHFFFAOYSA-N 0 1 462.471 4.857 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2OC)cc1Cl ZINC000033173520 524686716 /nfs/dbraw/zinc/68/67/16/524686716.db2.gz UDBNMJCXLRTEKR-UHFFFAOYSA-N 0 1 462.833 4.832 50 0 JJAAMN COc1ccccc1Oc1c(CN(C[C@@H](O)COC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301986 524694854 /nfs/dbraw/zinc/69/48/54/524694854.db2.gz QKRGENKECUPXEP-HSZRJFAPSA-N 0 1 467.610 4.978 50 0 JJAAMN COc1ccccc1Oc1c(CN(C[C@H](O)COC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302277 524696213 /nfs/dbraw/zinc/69/62/13/524696213.db2.gz ACKLKDJIRUZXPG-DEOSSOPVSA-N 0 1 479.621 4.980 50 0 JJAAMN Cc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc(-c3cccc(F)c3)n[nH]2)no1 ZINC000033270945 524741978 /nfs/dbraw/zinc/74/19/78/524741978.db2.gz HVALJVATVQISNL-UHFFFAOYSA-N 0 1 472.933 4.819 50 0 JJAAMN COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000014991272 525568784 /nfs/dbraw/zinc/56/87/84/525568784.db2.gz VBPXCVHWHAIKRX-DVECYGJZSA-N 0 1 466.553 4.739 50 0 JJAAMN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1)n(C)c(=O)n2C ZINC000045941154 525785014 /nfs/dbraw/zinc/78/50/14/525785014.db2.gz SBXLBGKMSIBDPL-UHFFFAOYSA-N 0 1 491.997 4.930 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146705 525924821 /nfs/dbraw/zinc/92/48/21/525924821.db2.gz RKFUDVIFDIWMRZ-JYFHCDHNSA-N 0 1 480.992 4.784 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146330 525925184 /nfs/dbraw/zinc/92/51/84/525925184.db2.gz FAXDELZOWUIHHJ-BDYUSTAISA-N 0 1 495.019 4.922 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146864 525925532 /nfs/dbraw/zinc/92/55/32/525925532.db2.gz XNFRTBQDIRKQFD-AHWVRZQESA-N 0 1 478.564 4.578 50 0 JJAAMN COc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1 ZINC000016600781 526005004 /nfs/dbraw/zinc/00/50/04/526005004.db2.gz FUZGDWSTDLUIIM-UHFFFAOYSA-N 0 1 465.358 4.733 50 0 JJAAMN CSc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)CCC(=O)N2)cc1 ZINC000014994071 526009913 /nfs/dbraw/zinc/00/99/13/526009913.db2.gz JRRIGGOYEBRMKD-NVQXNPDNSA-N 0 1 480.609 4.759 50 0 JJAAMN Cc1cc(-c2ccnc(-n3ncc(C(=O)N[C@H]4CCN(Cc5ccccc5)C4)c3C3CC3)n2)c(C)s1 ZINC000012245876 526043722 /nfs/dbraw/zinc/04/37/22/526043722.db2.gz FJEJSMDICHPGQX-QFIPXVFZSA-N 0 1 498.656 4.889 50 0 JJAAMN COc1cccc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)c1 ZINC000033129353 526183950 /nfs/dbraw/zinc/18/39/50/526183950.db2.gz RBFPFVRWGVEESU-UHFFFAOYSA-N 0 1 459.550 4.571 50 0 JJAAMN COc1cccc(Oc2c(CN(C[C@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305490 526240891 /nfs/dbraw/zinc/24/08/91/526240891.db2.gz PVLOCBQVRAPRLI-QHCPKHFHSA-N 0 1 479.621 4.886 50 0 JJAAMN O[C@H](COCc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249831 526286306 /nfs/dbraw/zinc/28/63/06/526286306.db2.gz PZUGPPBJVZHGGH-VWLOTQADSA-N 0 1 461.606 4.874 50 0 JJAAMN O[C@H](COc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146529 526291306 /nfs/dbraw/zinc/29/13/06/526291306.db2.gz XOYBHBJCMBJACM-UKILVPOCSA-N 0 1 450.966 4.775 50 0 JJAAMN O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000033078812 526350930 /nfs/dbraw/zinc/35/09/30/526350930.db2.gz RVTXDUAMHKOFQI-UHFFFAOYSA-N 0 1 467.928 4.752 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3Cl)n[nH]2)no1)Nc1c(F)cccc1F ZINC000033270905 526651411 /nfs/dbraw/zinc/65/14/11/526651411.db2.gz QUCSZMMKLPZWIW-UHFFFAOYSA-N 0 1 476.896 4.650 50 0 JJAAMN OC(=COc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610965 526987714 /nfs/dbraw/zinc/98/77/14/526987714.db2.gz DWTQLJKEQLKKDX-UHFFFAOYSA-N 0 1 453.296 4.632 50 0 JJAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000022790716 527018079 /nfs/dbraw/zinc/01/80/79/527018079.db2.gz UVSZNZCOBJRENH-MUUNZHRXSA-N 0 1 475.592 4.879 50 0 JJAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000009490018 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VVBHTZGWHIPGCC-UHFFFAOYSA-N 0 1 469.584 4.665 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)n1 ZINC000000944843 553878868 /nfs/dbraw/zinc/87/88/68/553878868.db2.gz DEOVYQRGILSMLA-UHFFFAOYSA-N 0 1 457.364 4.515 50 0 JJAAMN COc1c(Br)cc(/C=C2\SC(c3ccccc3)=NC2=O)c(O)c1Br ZINC000000973725 553888104 /nfs/dbraw/zinc/88/81/04/553888104.db2.gz AYIKCSLUJPVZSD-WQLSENKSSA-N 0 1 469.154 4.987 50 0 JJAAMN Cc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000001195951 553931008 /nfs/dbraw/zinc/93/10/08/553931008.db2.gz ZXCRWKYWMUNKKK-UHFFFAOYSA-N 0 1 456.372 4.935 50 0 JJAAMN CCCSc1nnc2c(n1)O[C@H](C(=O)c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000002104350 554044832 /nfs/dbraw/zinc/04/48/32/554044832.db2.gz LQYDHUBNCGNZRQ-LJQANCHMSA-N 0 1 457.353 4.817 50 0 JJAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000002312250 554144082 /nfs/dbraw/zinc/14/40/82/554144082.db2.gz ZVQRTCLYWSBZKM-MRXNPFEDSA-N 0 1 498.421 4.999 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000002486424 554226376 /nfs/dbraw/zinc/22/63/76/554226376.db2.gz KHTZVWNSCJPMPX-UHFFFAOYSA-N 0 1 487.566 4.806 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)n1 ZINC000002632106 554253875 /nfs/dbraw/zinc/25/38/75/554253875.db2.gz WNLYLRDSPBHPEL-UHFFFAOYSA-N 0 1 488.569 4.579 50 0 JJAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000002843010 554373915 /nfs/dbraw/zinc/37/39/15/554373915.db2.gz HQASXIOZUFXNIE-UHFFFAOYSA-N 0 1 490.614 4.790 50 0 JJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c1 ZINC000002843213 554374388 /nfs/dbraw/zinc/37/43/88/554374388.db2.gz YXBJMDMSTRMFRE-UHFFFAOYSA-N 0 1 486.615 4.934 50 0 JJAAMN CCC[C@H](C)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006093606 554505030 /nfs/dbraw/zinc/50/50/30/554505030.db2.gz NRFYREDOQSXXFP-SFHVURJKSA-N 0 1 474.623 4.555 50 0 JJAAMN COc1cccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000008918258 554814554 /nfs/dbraw/zinc/81/45/54/554814554.db2.gz DBXGFFGZRYFYTP-UUROJUAVSA-N 0 1 478.548 4.566 50 0 biogenic JJAAMN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccccc3Br)ccc1O2 ZINC000008961458 554837988 /nfs/dbraw/zinc/83/79/88/554837988.db2.gz ZEPFNVXPGABODQ-UHFFFAOYSA-N 0 1 473.348 4.941 50 0 JJAAMN CCOc1ccc2nc(N[C@](NC(=O)c3ccc(Cl)cc3)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000008969592 554843222 /nfs/dbraw/zinc/84/32/22/554843222.db2.gz CXEJTNSTEGKKBY-LJQANCHMSA-N 0 1 487.887 4.622 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)N2CCCC2)cc1 ZINC000009112718 554900204 /nfs/dbraw/zinc/90/02/04/554900204.db2.gz LWTCMAPTIQWYOL-VWLOTQADSA-N 0 1 468.557 4.979 50 0 JJAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 ZINC000009136406 554932674 /nfs/dbraw/zinc/93/26/74/554932674.db2.gz OZOAWEGAMINUIU-DEOSSOPVSA-N 0 1 453.542 4.951 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1 ZINC000009136634 554932891 /nfs/dbraw/zinc/93/28/91/554932891.db2.gz TYPULCDAIKTULM-UHFFFAOYSA-N 0 1 479.602 4.668 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169531 554952921 /nfs/dbraw/zinc/95/29/21/554952921.db2.gz BTFDWTOFZORUPV-UHFFFAOYSA-N 0 1 474.623 4.992 50 0 JJAAMN CC(C)CCN1c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009174216 554954905 /nfs/dbraw/zinc/95/49/05/554954905.db2.gz VFUHCBOMTSVQSA-UHFFFAOYSA-N 0 1 452.523 4.563 50 0 JJAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009293041 555068102 /nfs/dbraw/zinc/06/81/02/555068102.db2.gz TZWKJLVKMXNFGT-VWLOTQADSA-N 0 1 470.529 4.644 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1OCC ZINC000009315203 555090284 /nfs/dbraw/zinc/09/02/84/555090284.db2.gz CEHCYIJIHVDMHZ-UHFFFAOYSA-N 0 1 479.190 4.810 50 0 JJAAMN COc1ccc(CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)C2CC2)cc1 ZINC000009338420 555106623 /nfs/dbraw/zinc/10/66/23/555106623.db2.gz HWNOFRVVQQINKK-UHFFFAOYSA-N 0 1 480.586 4.618 50 0 JJAAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)N=C(C)C2C(=O)OC)cc1C ZINC000009357796 555122512 /nfs/dbraw/zinc/12/25/12/555122512.db2.gz KJUWGCPMPQZLAI-RUZDIDTESA-N 0 1 474.561 4.828 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCc3cscn3)cc2)N2CCCCC2)cc1 ZINC000009376090 555136713 /nfs/dbraw/zinc/13/67/13/555136713.db2.gz SGEOHRUJRGXTGU-XMMPIXPASA-N 0 1 451.592 4.688 50 0 JJAAMN COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000009378595 555140308 /nfs/dbraw/zinc/14/03/08/555140308.db2.gz LAENZYXDQRBYLB-UHFFFAOYSA-N 0 1 497.317 4.789 50 0 JJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Br)c2)N1Cc1ccco1 ZINC000009408974 555172248 /nfs/dbraw/zinc/17/22/48/555172248.db2.gz UWTPPZVMDVPFTQ-NRFANRHFSA-N 0 1 450.292 4.883 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000009408998 555172265 /nfs/dbraw/zinc/17/22/65/555172265.db2.gz JLKRSPYSUIUVBJ-NRFANRHFSA-N 0 1 496.317 4.597 50 0 JJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1Cc1ccco1 ZINC000009408978 555172307 /nfs/dbraw/zinc/17/23/07/555172307.db2.gz BRMSWFYWVBMXQA-NRFANRHFSA-N 0 1 450.292 4.883 50 0 JJAAMN CCCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1OC ZINC000009409052 555172721 /nfs/dbraw/zinc/17/27/21/555172721.db2.gz YNWXQZMVYBYEML-SANMLTNESA-N 0 1 479.577 4.942 50 0 JJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1OCC ZINC000009409085 555172736 /nfs/dbraw/zinc/17/27/36/555172736.db2.gz PNUUMVIABIKSBZ-AREMUKBSSA-N 0 1 479.577 4.942 50 0 JJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(Br)c1 ZINC000009409097 555172763 /nfs/dbraw/zinc/17/27/63/555172763.db2.gz VAXDRKCCRMBTSX-JOCHJYFZSA-N 0 1 470.367 4.905 50 0 JJAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)cc2)ccc1O ZINC000009409175 555173324 /nfs/dbraw/zinc/17/33/24/555173324.db2.gz BRMNJPLZKBCFLB-HHHXNRCGSA-N 0 1 485.540 4.683 50 0 JJAAMN O=C(Nc1nonc1-c1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000009410030 555175631 /nfs/dbraw/zinc/17/56/31/555175631.db2.gz FBHZEDKHUJTUIO-UHFFFAOYSA-N 0 1 486.326 4.973 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000009444315 555217294 /nfs/dbraw/zinc/21/72/94/555217294.db2.gz RZKWYVQCAOEKGL-UHFFFAOYSA-N 0 1 465.358 4.984 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cccnc2SCc2cc(C)on2)N2CCCCC2)cc1 ZINC000009459845 555227454 /nfs/dbraw/zinc/22/74/54/555227454.db2.gz HPBYMVVWKZRKHR-HSZRJFAPSA-N 0 1 466.607 4.636 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCC(=O)c3cc(C)ccc3C)ccc2OC)cc1 ZINC000009492163 555271463 /nfs/dbraw/zinc/27/14/63/555271463.db2.gz AUQPGDLQLWJLGT-UHFFFAOYSA-N 0 1 496.585 4.723 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1Cl ZINC000009493175 555274663 /nfs/dbraw/zinc/27/46/63/555274663.db2.gz XQKWFZCFGBMUSI-UHFFFAOYSA-N 0 1 455.555 4.674 50 0 JJAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527211 555320813 /nfs/dbraw/zinc/32/08/13/555320813.db2.gz NHOVGDRQGBSZBA-UHFFFAOYSA-N 0 1 455.624 4.656 50 0 JJAAMN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000009536072 555329635 /nfs/dbraw/zinc/32/96/35/555329635.db2.gz RTVPRANYTWHGFF-UHFFFAOYSA-N 0 1 473.558 4.854 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1 ZINC000009540577 555333686 /nfs/dbraw/zinc/33/36/86/555333686.db2.gz UVGYCESPHMGQRF-UHFFFAOYSA-N 0 1 466.544 4.806 50 0 JJAAMN Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000009541466 555334154 /nfs/dbraw/zinc/33/41/54/555334154.db2.gz GPJDNWCQAPOCQM-UHFFFAOYSA-N 0 1 494.795 4.740 50 0 JJAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000013141464 555338752 /nfs/dbraw/zinc/33/87/52/555338752.db2.gz AHZHXMJOWJJVBW-UHFFFAOYSA-N 0 1 473.558 4.772 50 0 JJAAMN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000009662774 555369457 /nfs/dbraw/zinc/36/94/57/555369457.db2.gz GTPMHGKQUXOOGM-UHFFFAOYSA-N 0 1 464.996 4.867 50 0 JJAAMN O=C(CSc1[nH]c(-c2ccc(Br)cc2)nc1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000009674088 555399100 /nfs/dbraw/zinc/39/91/00/555399100.db2.gz ZENRQVMJOYIMSN-SFHVURJKSA-N 0 1 472.408 4.894 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCCC1 ZINC000009728615 555462878 /nfs/dbraw/zinc/46/28/78/555462878.db2.gz FANZFQYJDFSIPK-UHFFFAOYSA-N 0 1 483.565 4.878 50 0 JJAAMN COc1ccccc1OCC(=O)NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000013597686 555529503 /nfs/dbraw/zinc/52/95/03/555529503.db2.gz ORNULXWZFCKBPS-UHFFFAOYSA-N 0 1 466.581 4.772 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N4CC=C(c5ccccc5)CC4)c3=O)c2c1 ZINC000009971092 555568617 /nfs/dbraw/zinc/56/86/17/555568617.db2.gz AYUIAENMDKBTHP-UHFFFAOYSA-N 0 1 474.586 4.645 50 0 JJAAMN Cc1cccc(Cc2c(C)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)c1 ZINC000019991310 555576682 /nfs/dbraw/zinc/57/66/82/555576682.db2.gz QDKMAKDPFOZUIR-UHFFFAOYSA-N 0 1 464.613 4.889 50 0 JJAAMN Cc1ccc(Cc2c(C)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)cc1 ZINC000013858084 555636108 /nfs/dbraw/zinc/63/61/08/555636108.db2.gz XCKQQSPCTKJPIE-UHFFFAOYSA-N 0 1 464.613 4.889 50 0 JJAAMN CCCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104172 555636248 /nfs/dbraw/zinc/63/62/48/555636248.db2.gz SRFRGBIIRYDEIG-VSGBNLITSA-N 0 1 489.660 4.863 50 0 JJAAMN CCCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104176 555636270 /nfs/dbraw/zinc/63/62/70/555636270.db2.gz SRFRGBIIRYDEIG-IZLXSDGUSA-N 0 1 489.660 4.863 50 0 JJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 ZINC000020114362 555652126 /nfs/dbraw/zinc/65/21/26/555652126.db2.gz MXDHYBKFGPNDFR-UHFFFAOYSA-N 0 1 459.377 4.619 50 0 JJAAMN CCc1c(O)nc(SCC(=O)Nc2ccc(Br)cc2)n(C2CCCCC2)c1=O ZINC000013957319 555661533 /nfs/dbraw/zinc/66/15/33/555661533.db2.gz YTONMZUOMHSUNR-UHFFFAOYSA-N 0 1 466.401 4.510 50 0 JJAAMN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000020155262 555675305 /nfs/dbraw/zinc/67/53/05/555675305.db2.gz CRVIRQRBKMBBLN-UHFFFAOYSA-N 0 1 474.601 4.816 50 0 JJAAMN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](N(C)Cc2nc(-c3ccccc3)no2)C4)cc1 ZINC000020167999 555678359 /nfs/dbraw/zinc/67/83/59/555678359.db2.gz XILYDYODFDPVJW-OAQYLSRUSA-N 0 1 497.624 4.854 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1C ZINC000014092915 555685587 /nfs/dbraw/zinc/68/55/87/555685587.db2.gz GQQLBIVMSYADBB-QFIPXVFZSA-N 0 1 496.585 4.615 50 0 JJAAMN CCCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000010381902 555702150 /nfs/dbraw/zinc/70/21/50/555702150.db2.gz QMJXYBQVHGWHSF-UHFFFAOYSA-N 0 1 468.579 4.716 50 0 JJAAMN CCOC(=O)C1C(CN2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214590 555710145 /nfs/dbraw/zinc/71/01/45/555710145.db2.gz HMIFGEBAMWSFOP-ATIYNZHBSA-N 0 1 477.605 4.525 50 0 JJAAMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000014185205 555726637 /nfs/dbraw/zinc/72/66/37/555726637.db2.gz UERASCDPVBJNHG-RUZDIDTESA-N 0 1 470.573 4.767 50 0 JJAAMN Cc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4F)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000014254313 555755811 /nfs/dbraw/zinc/75/58/11/555755811.db2.gz UZXGJEKIIKODGJ-HXUWFJFHSA-N 0 1 461.522 4.982 50 0 JJAAMN Cc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4F)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000014254316 555755900 /nfs/dbraw/zinc/75/59/00/555755900.db2.gz UZXGJEKIIKODGJ-FQEVSTJZSA-N 0 1 461.522 4.982 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NCc4ccc(F)cc4)c3=O)c2c1 ZINC000020329036 555774864 /nfs/dbraw/zinc/77/48/64/555774864.db2.gz NPCMVDNQYZKHSD-UHFFFAOYSA-N 0 1 468.554 4.565 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCCc5ccc(C)cc5)cc4)c3=O)c2c1 ZINC000020331236 555776247 /nfs/dbraw/zinc/77/62/47/555776247.db2.gz WOXGZNNYXJRVOC-UHFFFAOYSA-N 0 1 498.608 4.878 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCCc5cccc(C)c5)cc4)c3=O)c2c1 ZINC000020331239 555776253 /nfs/dbraw/zinc/77/62/53/555776253.db2.gz BYPWHLYQSQZRMY-UHFFFAOYSA-N 0 1 498.608 4.878 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020331388 555776608 /nfs/dbraw/zinc/77/66/08/555776608.db2.gz QZYYJTASRLKQIG-RVKKMQEKSA-N 0 1 456.612 4.660 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NC4CCCCCCC4)c3=O)c2c1 ZINC000020331535 555776949 /nfs/dbraw/zinc/77/69/49/555776949.db2.gz YRSNRAICRKGKTB-UHFFFAOYSA-N 0 1 456.612 4.948 50 0 JJAAMN CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1cc(C(C)C)n[nH]1)CC2 ZINC000011785224 555817489 /nfs/dbraw/zinc/81/74/89/555817489.db2.gz KDSJIGBQISBRIL-FTJBHMTQSA-N 0 1 478.662 4.557 50 0 JJAAMN Cc1oc(-c2ccccc2[N-]S(C)(=O)=O)nc1CN(C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000011790100 555825596 /nfs/dbraw/zinc/82/55/96/555825596.db2.gz XHRZGVWIOFTPIC-UHFFFAOYSA-N 0 1 488.679 4.701 50 0 JJAAMN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3nc4ccccc4s3)CC2)N1Cc1ccccc1 ZINC000014536681 555826101 /nfs/dbraw/zinc/82/61/01/555826101.db2.gz SZYGOTPCRRYGDZ-UHFFFAOYSA-N 0 1 497.624 4.691 50 0 JJAAMN CCC(=O)Nc1c2ccc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)nc2sc1C(=O)OC ZINC000011881305 555849607 /nfs/dbraw/zinc/84/96/07/555849607.db2.gz QBJDPGJDMRHAPW-UHFFFAOYSA-N 0 1 488.009 4.568 50 0 JJAAMN c1ccc(CCSc2nnc(C3CCN(Cc4cccnc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000015007440 555851944 /nfs/dbraw/zinc/85/19/44/555851944.db2.gz CCHHRYAGEKEHTF-DEOSSOPVSA-N 0 1 463.651 4.567 50 0 JJAAMN COc1cc(/C=C/CN2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)ccc1O ZINC000015008637 555852571 /nfs/dbraw/zinc/85/25/71/555852571.db2.gz LLNZFEFBTAHAOJ-PSROHBQZSA-N 0 1 455.624 4.663 50 0 JJAAMN Cc1cccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)n1 ZINC000011910701 555858270 /nfs/dbraw/zinc/85/82/70/555858270.db2.gz HTCUHAJJFSLVCI-DEOSSOPVSA-N 0 1 463.651 4.681 50 0 JJAAMN Cc1cccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)n1 ZINC000011910702 555858329 /nfs/dbraw/zinc/85/83/29/555858329.db2.gz HTCUHAJJFSLVCI-XMMPIXPASA-N 0 1 463.651 4.681 50 0 JJAAMN O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039061 555865676 /nfs/dbraw/zinc/86/56/76/555865676.db2.gz DIFYWVGMEXSQHY-XRKRLSELSA-N 0 1 456.630 4.849 50 0 JJAAMN COc1cc(C)c(CN2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)cc1C ZINC000015069378 555869175 /nfs/dbraw/zinc/86/91/75/555869175.db2.gz HCMQQRJEHBMKGE-UHFFFAOYSA-N 0 1 487.575 4.570 50 0 JJAAMN Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012037123 555890087 /nfs/dbraw/zinc/89/00/87/555890087.db2.gz SZHXOPXNTHGDJC-HSZRJFAPSA-N 0 1 495.627 4.715 50 0 JJAAMN CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000012037642 555890742 /nfs/dbraw/zinc/89/07/42/555890742.db2.gz KKOHAORHZZGIBN-RUZDIDTESA-N 0 1 451.014 4.669 50 0 JJAAMN COc1ccc([C@H](CC(=O)NCc2cccnc2)Sc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000012139660 555915907 /nfs/dbraw/zinc/91/59/07/555915907.db2.gz OCOUJSKKDLODMJ-NRFANRHFSA-N 0 1 463.538 4.554 50 0 JJAAMN CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000012140908 555920124 /nfs/dbraw/zinc/92/01/24/555920124.db2.gz BHYBLSAQJVUNJU-UHFFFAOYSA-N 0 1 455.580 4.505 50 0 JJAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012151373 555923860 /nfs/dbraw/zinc/92/38/60/555923860.db2.gz XRJSSGZSOVYIQH-SSEXGKCCSA-N 0 1 484.644 4.976 50 0 JJAAMN C[C@H](c1cccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC(C)(C)CO ZINC000012161356 555930949 /nfs/dbraw/zinc/93/09/49/555930949.db2.gz JVXPRKQBTFCTBH-LJQANCHMSA-N 0 1 452.620 4.874 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000012180349 555934687 /nfs/dbraw/zinc/93/46/87/555934687.db2.gz UTWDZNFSYVTJRS-UHFFFAOYSA-N 0 1 450.560 4.788 50 0 JJAAMN CCCCN(C1CCN(CC)CC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000015731090 555973982 /nfs/dbraw/zinc/97/39/82/555973982.db2.gz YMGDOSWLJRWTTP-UHFFFAOYSA-N 0 1 465.563 4.697 50 0 JJAAMN Brc1ccccc1-c1nnc(CN2CCN(Cc3cccc4ccccc43)CC2)o1 ZINC000022932593 555985268 /nfs/dbraw/zinc/98/52/68/555985268.db2.gz VMHARZGQRHNWAY-UHFFFAOYSA-N 0 1 463.379 4.970 50 0 JJAAMN Cc1ccc2nc3sc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)cc3cc2c1 ZINC000022937919 555990970 /nfs/dbraw/zinc/99/09/70/555990970.db2.gz CTEGBHVCKMDGDH-UHFFFAOYSA-N 0 1 458.631 4.696 50 0 JJAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774021 555992429 /nfs/dbraw/zinc/99/24/29/555992429.db2.gz XVGWRMZFNYXXKA-HHHXNRCGSA-N 0 1 488.031 4.940 50 0 JJAAMN O=C(CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000022995193 555996331 /nfs/dbraw/zinc/99/63/31/555996331.db2.gz HKMMOVPLDXSWGB-UHFFFAOYSA-N 0 1 497.945 4.667 50 0 JJAAMN CCOc1ccccc1N1CCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012532332 556002322 /nfs/dbraw/zinc/00/23/22/556002322.db2.gz AMYXFAKPDRSJDA-RUZDIDTESA-N 0 1 482.571 4.653 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000012536101 556008931 /nfs/dbraw/zinc/00/89/31/556008931.db2.gz VOVDOBHXBFKTDM-UHFFFAOYSA-N 0 1 481.357 4.690 50 0 JJAAMN COc1ccc(NC(=O)CCc2c(C)noc2C)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012541772 556016455 /nfs/dbraw/zinc/01/64/55/556016455.db2.gz RJKKWPXLEKYPBP-UHFFFAOYSA-N 0 1 498.388 4.979 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2cccc(F)c2)ccc1N1CCCC1 ZINC000012542708 556018134 /nfs/dbraw/zinc/01/81/34/556018134.db2.gz KIJJNHXGDJRTMH-SDNWHVSQSA-N 0 1 495.576 4.887 50 0 JJAAMN Cc1c(=O)c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2oc1-c1ccccc1 ZINC000023133669 556019991 /nfs/dbraw/zinc/01/99/91/556019991.db2.gz IXGPYNJAGFGRPX-UHFFFAOYSA-N 0 1 453.542 4.773 50 0 JJAAMN CN1CCN(c2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)cc2)CC1 ZINC000023134102 556020025 /nfs/dbraw/zinc/02/00/25/556020025.db2.gz ACRKEBXJIXOGBC-RUZDIDTESA-N 0 1 477.008 4.592 50 0 JJAAMN CN1CCN(c2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)cc2)CC1 ZINC000023134105 556020066 /nfs/dbraw/zinc/02/00/66/556020066.db2.gz ACRKEBXJIXOGBC-VWLOTQADSA-N 0 1 477.008 4.592 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(OC)cc3[nH]1)C[C@H](C)CC2 ZINC000012550841 556032448 /nfs/dbraw/zinc/03/24/48/556032448.db2.gz CYJUZXVDHNOYPP-GFCCVEGCSA-N 0 1 459.593 4.665 50 0 JJAAMN COc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012552142 556034615 /nfs/dbraw/zinc/03/46/15/556034615.db2.gz XGVDAOYUIHRRAK-UHFFFAOYSA-N 0 1 468.550 4.748 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)COc4ccccc4)cc3C)s2)cc1 ZINC000015862060 556034794 /nfs/dbraw/zinc/03/47/94/556034794.db2.gz WYXXSSQRYNXCSV-UHFFFAOYSA-N 0 1 467.572 4.731 50 0 JJAAMN Cc1cc(C)n(CCC(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)n1 ZINC000015862057 556034829 /nfs/dbraw/zinc/03/48/29/556034829.db2.gz LCGHGLHMEWKMFW-UHFFFAOYSA-N 0 1 483.619 4.556 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4n[nH]c5c4CCCC5)cc3C)s2)cc1 ZINC000015862053 556034846 /nfs/dbraw/zinc/03/48/46/556034846.db2.gz PUCXQAYYEFIOHD-UHFFFAOYSA-N 0 1 481.603 4.568 50 0 JJAAMN C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000023261089 556036937 /nfs/dbraw/zinc/03/69/37/556036937.db2.gz LIMOWABRUIUPLK-QGZVFWFLSA-N 0 1 486.977 4.517 50 0 JJAAMN COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012560947 556053817 /nfs/dbraw/zinc/05/38/17/556053817.db2.gz PEPUYQRKDBOSLJ-UHFFFAOYSA-N 0 1 478.492 4.753 50 0 JJAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000015882139 556055285 /nfs/dbraw/zinc/05/52/85/556055285.db2.gz GXBFOKBCQNNWHF-UHFFFAOYSA-N 0 1 452.580 4.642 50 0 JJAAMN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000012565436 556062301 /nfs/dbraw/zinc/06/23/01/556062301.db2.gz YIPXGRQDCMHEFI-QGZVFWFLSA-N 0 1 455.507 4.672 50 0 JJAAMN COc1cccc(CCNC(=O)c2ccc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)cc2)c1 ZINC000023458527 556070681 /nfs/dbraw/zinc/07/06/81/556070681.db2.gz FEEPPVXIVKHOGU-UHFFFAOYSA-N 0 1 453.542 4.832 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000012585063 556082776 /nfs/dbraw/zinc/08/27/76/556082776.db2.gz BSIGRWDOJIMUOP-QGZVFWFLSA-N 0 1 456.589 4.924 50 0 JJAAMN CCc1nc(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000012655052 556098721 /nfs/dbraw/zinc/09/87/21/556098721.db2.gz FOBHGICENKVURL-MRFFJIIUSA-N 0 1 480.649 4.902 50 0 biogenic JJAAMN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736633 556105776 /nfs/dbraw/zinc/10/57/76/556105776.db2.gz HJTHFUNSTIPAKL-DIFFPNOSSA-N 0 1 460.283 4.950 50 0 JJAAMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000012737974 556106483 /nfs/dbraw/zinc/10/64/83/556106483.db2.gz GGZUFRCNYVZJOE-XMMPIXPASA-N 0 1 458.537 4.720 50 0 JJAAMN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000024104140 556121653 /nfs/dbraw/zinc/12/16/53/556121653.db2.gz UGCVCNWMJMDAPZ-UHFFFAOYSA-N 0 1 469.033 4.606 50 0 JJAAMN Cc1ccc2nc(CN3CCN(Cc4ccc(-c5ccccc5Cl)s4)CC3)cc(=O)n2c1 ZINC000024837709 556159300 /nfs/dbraw/zinc/15/93/00/556159300.db2.gz BDPDTEGWEXABOP-UHFFFAOYSA-N 0 1 465.022 4.703 50 0 JJAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000024923825 556163443 /nfs/dbraw/zinc/16/34/43/556163443.db2.gz QEOZODXRZRHLRS-RUZDIDTESA-N 0 1 493.007 4.778 50 0 JJAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012973809 556165507 /nfs/dbraw/zinc/16/55/07/556165507.db2.gz CWJIGILYGQCCKP-OAQYLSRUSA-N 0 1 463.603 4.611 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4c(C)cccc4C)[nH]c(=O)c3sc2=S)c1 ZINC000016846269 556168126 /nfs/dbraw/zinc/16/81/26/556168126.db2.gz MXJXFFJWTSCWAQ-UHFFFAOYSA-N 0 1 484.628 4.861 50 0 JJAAMN COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2O)cc1 ZINC000024986261 556169659 /nfs/dbraw/zinc/16/96/59/556169659.db2.gz STHOJKCHRFWCQF-UHFFFAOYSA-N 0 1 470.573 4.659 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccccc3Cl)c2)cc1C ZINC000025048581 556173879 /nfs/dbraw/zinc/17/38/79/556173879.db2.gz BSRNPRBFVTWQMX-UHFFFAOYSA-N 0 1 450.969 4.558 50 0 JJAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000025145790 556184389 /nfs/dbraw/zinc/18/43/89/556184389.db2.gz XUEDDZURSUECNS-SANMLTNESA-N 0 1 482.565 4.883 50 0 JJAAMN COc1ccc(OCC[N@@H+](C)Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)cc1 ZINC000025665842 556229103 /nfs/dbraw/zinc/22/91/03/556229103.db2.gz KCGLUVCDLYWXSE-UHFFFAOYSA-N 0 1 455.967 4.824 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000017994954 556275118 /nfs/dbraw/zinc/27/51/18/556275118.db2.gz BVVWUAPNOGNLQI-ZLNRFVROSA-N 0 1 493.357 4.817 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018061636 556281938 /nfs/dbraw/zinc/28/19/38/556281938.db2.gz ATHOVTVQXVQWNU-CYXNTTPDSA-N 0 1 472.541 4.925 50 0 JJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018061636 556281939 /nfs/dbraw/zinc/28/19/39/556281939.db2.gz ATHOVTVQXVQWNU-CYXNTTPDSA-N 0 1 472.541 4.925 50 0 JJAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1cccc2ccccc21)Nc1ccc(Cl)cc1 ZINC000018086970 556285933 /nfs/dbraw/zinc/28/59/33/556285933.db2.gz PWIJHKKXJVTRIG-UHFFFAOYSA-N 0 1 461.934 4.646 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000027754269 556306083 /nfs/dbraw/zinc/30/60/83/556306083.db2.gz GRNURWLLVAXAIO-OPYAIIAOSA-N 0 1 464.827 4.547 50 0 JJAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)c1 ZINC000013110776 556311669 /nfs/dbraw/zinc/31/16/69/556311669.db2.gz HCLBEDXJIRRWMK-XMMPIXPASA-N 0 1 460.921 4.893 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCCCC2)cc1 ZINC000013120605 556333163 /nfs/dbraw/zinc/33/31/63/556333163.db2.gz GMDATYLXKQSNLD-HHHXNRCGSA-N 0 1 454.574 4.991 50 0 JJAAMN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000019362940 556345445 /nfs/dbraw/zinc/34/54/45/556345445.db2.gz YDOZKUBIATUKTK-HHHXNRCGSA-N 0 1 483.612 4.515 50 0 JJAAMN Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000031666294 556401566 /nfs/dbraw/zinc/40/15/66/556401566.db2.gz AXGSIYHHNKZXGS-UHFFFAOYSA-N 0 1 452.504 4.536 50 0 JJAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c(Br)c1 ZINC000032097564 556415900 /nfs/dbraw/zinc/41/59/00/556415900.db2.gz LTXMBBYUHSNVPH-UHFFFAOYSA-N 0 1 467.341 4.691 50 0 JJAAMN O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000032106372 556417880 /nfs/dbraw/zinc/41/78/80/556417880.db2.gz ZSJBEXXCVDTVCX-VWLOTQADSA-N 0 1 461.587 4.752 50 0 JJAAMN Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 ZINC000032579176 556446421 /nfs/dbraw/zinc/44/64/21/556446421.db2.gz BUXQDEILTYOLIO-UHFFFAOYSA-N 0 1 460.578 4.715 50 0 JJAAMN O=C(Nc1nc(-c2ccc(Br)s2)ns1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032593506 556447622 /nfs/dbraw/zinc/44/76/22/556447622.db2.gz GOVAIBVTNSCQPG-UHFFFAOYSA-N 0 1 491.348 4.708 50 0 JJAAMN COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)s4)ns3)no2)cc1 ZINC000032593752 556447929 /nfs/dbraw/zinc/44/79/29/556447929.db2.gz TXLFXEWEWJVIBX-UHFFFAOYSA-N 0 1 463.338 4.945 50 0 JJAAMN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)cc1 ZINC000032623126 556453036 /nfs/dbraw/zinc/45/30/36/556453036.db2.gz SSBQPVBBYKLQJA-QHCPKHFHSA-N 0 1 461.562 4.632 50 0 JJAAMN CC(C)CN1CCO[C@H](CNC(=O)c2ccccc2CSc2nc3ccccc3s2)C1 ZINC000032819187 556503702 /nfs/dbraw/zinc/50/37/02/556503702.db2.gz AVOFDHYLLJMYDZ-LJQANCHMSA-N 0 1 455.649 4.675 50 0 JJAAMN COc1cccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948475 556564030 /nfs/dbraw/zinc/56/40/30/556564030.db2.gz UUCIXONYFLPLEH-UHFFFAOYSA-N 0 1 484.628 4.643 50 0 JJAAMN COc1ccc(C)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[nH]1 ZINC000032948483 556564034 /nfs/dbraw/zinc/56/40/34/556564034.db2.gz HODVNKQMLCFTMO-UHFFFAOYSA-N 0 1 484.628 4.861 50 0 JJAAMN Cc1ccc(-n2c3nc(SCC(=O)NCCC4=CCCCC4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948649 556564619 /nfs/dbraw/zinc/56/46/19/556564619.db2.gz QTXSBWHHPIBSMG-UHFFFAOYSA-N 0 1 472.661 4.912 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000008595823 562944260 /nfs/dbraw/zinc/94/42/60/562944260.db2.gz SROCSVCAABASIM-XMMPIXPASA-N 0 1 473.485 4.701 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000008606559 562946834 /nfs/dbraw/zinc/94/68/34/562946834.db2.gz QYTYBNIRMZAYDH-AREMUKBSSA-N 0 1 455.514 4.587 50 0 aggregator JJAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000008606576 562946853 /nfs/dbraw/zinc/94/68/53/562946853.db2.gz BWUJNJGCMMPLQF-FQEVSTJZSA-N 0 1 472.339 4.604 50 0 aggregator JJAAMN c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)n2)cn1 ZINC000053175335 563205124 /nfs/dbraw/zinc/20/51/24/563205124.db2.gz ORVJEKYISCIFJT-UHFFFAOYSA-N 0 1 488.599 4.849 50 0 JJAAMN Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(F)cc4)CC2)n3C)cc1 ZINC000057264460 569595092 /nfs/dbraw/zinc/59/50/92/569595092.db2.gz FABYIIZJUIRNLA-UHFFFAOYSA-N 0 1 471.580 4.638 50 0 JJAAMN Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000057264449 569595123 /nfs/dbraw/zinc/59/51/23/569595123.db2.gz BCANAZVLSNPECK-UHFFFAOYSA-N 0 1 491.998 4.983 50 0 JJAAMN COc1cc(Br)cc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000008717694 569596829 /nfs/dbraw/zinc/59/68/29/569596829.db2.gz SKDXCDLIKHGQMG-IBGZPJMESA-N 0 1 460.347 4.562 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000008735061 569601921 /nfs/dbraw/zinc/60/19/21/569601921.db2.gz FGPJYSQOURRGEX-SNVBAGLBSA-N 0 1 453.351 4.915 50 0 JJAAMN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCN(CCc4ccccn4)CC3)n2)c1 ZINC000061997336 569609889 /nfs/dbraw/zinc/60/98/89/569609889.db2.gz DOKMGCKQCFDQEV-UHFFFAOYSA-N 0 1 492.583 4.720 50 0 JJAAMN Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999344 569610072 /nfs/dbraw/zinc/61/00/72/569610072.db2.gz NWZOJQQDEHLRJJ-NZWZHHCMSA-N 0 1 491.591 4.626 50 0 biogenic JJAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000061997768 569610081 /nfs/dbraw/zinc/61/00/81/569610081.db2.gz YAONEWOINVLPEC-OMICENBGSA-N 0 1 497.982 4.663 50 0 biogenic JJAAMN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCCN3CCN(c4ccccc4)CC3)sc21 ZINC000064567948 569619955 /nfs/dbraw/zinc/61/99/55/569619955.db2.gz BXWVZNYVJBANHZ-UHFFFAOYSA-N 0 1 494.064 4.897 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000033768100 569634088 /nfs/dbraw/zinc/63/40/88/569634088.db2.gz ZKNBHWFVWAVUHP-GSTLAZBSSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1ccc(N(C2CCN(Cc3cccs3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000034683751 569644676 /nfs/dbraw/zinc/64/46/76/569644676.db2.gz ACGPEYKAHDRLNH-UHFFFAOYSA-N 0 1 490.622 4.764 50 0 JJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000034685306 569644950 /nfs/dbraw/zinc/64/49/50/569644950.db2.gz JMIXIRPYPOGSMJ-UHFFFAOYSA-N 0 1 467.535 4.729 50 0 JJAAMN O=C(NCc1ccccc1F)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684550 569645001 /nfs/dbraw/zinc/64/50/01/569645001.db2.gz QFWCAWNKIPHCCI-UHFFFAOYSA-N 0 1 484.575 4.651 50 0 JJAAMN Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCC[N@@H+](Cc4cccnc4)CC3)nc2c1 ZINC000034707913 569650023 /nfs/dbraw/zinc/65/00/23/569650023.db2.gz SXMWRFCBAIKSIB-UHFFFAOYSA-N 0 1 476.009 4.767 50 0 JJAAMN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1Cc1cccc(F)c1 ZINC000034708014 569650194 /nfs/dbraw/zinc/65/01/94/569650194.db2.gz GCZZGDVTXYETRQ-KRWDZBQOSA-N 0 1 458.566 4.856 50 0 JJAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000034724704 569652653 /nfs/dbraw/zinc/65/26/53/569652653.db2.gz JZXJQJGDOLHRHS-UHFFFAOYSA-N 0 1 480.678 4.562 50 0 JJAAMN O=C1N(Cc2cc(F)ccc2F)CCCN1c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000034737617 569654506 /nfs/dbraw/zinc/65/45/06/569654506.db2.gz XHPFVONXLPFZCS-UHFFFAOYSA-N 0 1 457.502 4.598 50 0 JJAAMN Cc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)nc3ccccc3n12 ZINC000065096439 569660865 /nfs/dbraw/zinc/66/08/65/569660865.db2.gz DIRQKSBDJVTSQY-UHFFFAOYSA-N 0 1 465.922 4.832 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(C)cc1 ZINC000034814846 569662880 /nfs/dbraw/zinc/66/28/80/569662880.db2.gz OPBVSPAEZAGKOR-UHFFFAOYSA-N 0 1 459.638 4.683 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829537 569662981 /nfs/dbraw/zinc/66/29/81/569662981.db2.gz UPDMLKKLTHEFIO-UHFFFAOYSA-N 0 1 491.655 4.689 50 0 JJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034830395 569663866 /nfs/dbraw/zinc/66/38/66/569663866.db2.gz ODOBQRCAJJDHSK-CPJSRVTESA-N 0 1 493.698 4.829 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Cc3cccs3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831334 569664104 /nfs/dbraw/zinc/66/41/04/569664104.db2.gz QOLDSLXTELCZQF-UHFFFAOYSA-N 0 1 497.684 4.751 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)C3CCCCC3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831295 569664108 /nfs/dbraw/zinc/66/41/08/569664108.db2.gz NNQYAAFCCUMPRE-UHFFFAOYSA-N 0 1 469.649 4.779 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)CCC3CCCC3)C3CC3)c(C)nn2-c2ccccc2)CC1 ZINC000034831246 569664220 /nfs/dbraw/zinc/66/42/20/569664220.db2.gz KDUASHSTJMWDEK-UHFFFAOYSA-N 0 1 463.670 4.784 50 0 JJAAMN CCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)CC(C)C ZINC000034831322 569664230 /nfs/dbraw/zinc/66/42/30/569664230.db2.gz VEIWOYXYCNQIOT-UHFFFAOYSA-N 0 1 457.638 4.637 50 0 JJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)C(C)(C)C ZINC000034832054 569664453 /nfs/dbraw/zinc/66/44/53/569664453.db2.gz SRLXFRGAYMTPGE-IBGZPJMESA-N 0 1 457.638 4.635 50 0 JJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)NC1CCCCC1 ZINC000034835242 569664882 /nfs/dbraw/zinc/66/48/82/569664882.db2.gz MPXIRWCDXTXQGR-QFIPXVFZSA-N 0 1 480.701 4.965 50 0 JJAAMN CCCC[C@@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034835155 569664999 /nfs/dbraw/zinc/66/49/99/569664999.db2.gz VAWWHYGNXIDBTG-RUZDIDTESA-N 0 1 497.728 4.904 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835536 569665094 /nfs/dbraw/zinc/66/50/94/569665094.db2.gz BXICUIVAIXMCQA-UHFFFAOYSA-N 0 1 495.618 4.582 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137361 569668096 /nfs/dbraw/zinc/66/80/96/569668096.db2.gz BUYGFAZJDPGJGR-UHFFFAOYSA-N 0 1 498.552 4.513 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C)c3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137480 569668334 /nfs/dbraw/zinc/66/83/34/569668334.db2.gz CNSCWBSIAHFHIW-UHFFFAOYSA-N 0 1 472.636 4.501 50 0 JJAAMN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664667 569714815 /nfs/dbraw/zinc/71/48/15/569714815.db2.gz YTYFYCLXHYHJLD-UHFFFAOYSA-N 0 1 470.267 4.859 50 0 JJAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Cl)cc2)cc1C ZINC000035372584 569683086 /nfs/dbraw/zinc/68/30/86/569683086.db2.gz NFHBGDVVVSEVSC-UHFFFAOYSA-N 0 1 455.027 4.952 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(F)cc1)=N2 ZINC000035372592 569683145 /nfs/dbraw/zinc/68/31/45/569683145.db2.gz YOTYQCHVRJGLMH-UHFFFAOYSA-N 0 1 452.599 4.828 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372727 569683274 /nfs/dbraw/zinc/68/32/74/569683274.db2.gz GQYKDAOQQPMKCC-UHFFFAOYSA-N 0 1 462.953 4.613 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccccc1)=N2 ZINC000035372933 569683463 /nfs/dbraw/zinc/68/34/63/569683463.db2.gz VUPCDKCPDRYSMU-UHFFFAOYSA-N 0 1 471.026 4.734 50 0 JJAAMN O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000035399198 569689621 /nfs/dbraw/zinc/68/96/21/569689621.db2.gz YHSLORDJPHMEEW-UHFFFAOYSA-N 0 1 489.104 4.813 50 0 JJAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000068822147 569692341 /nfs/dbraw/zinc/69/23/41/569692341.db2.gz PNZLOFLJWDQBHN-FQEVSTJZSA-N 0 1 496.652 4.731 50 0 JJAAMN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000069977622 569694428 /nfs/dbraw/zinc/69/44/28/569694428.db2.gz ZCJIYJLEONDJIH-UHFFFAOYSA-N 0 1 489.340 4.527 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)cc1 ZINC000035512837 569698660 /nfs/dbraw/zinc/69/86/60/569698660.db2.gz GQFYZKYTWDIYLU-UHFFFAOYSA-N 0 1 456.564 4.794 50 0 JJAAMN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664667 569714812 /nfs/dbraw/zinc/71/48/12/569714812.db2.gz YTYFYCLXHYHJLD-UHFFFAOYSA-N 0 1 470.267 4.859 50 0 JJAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095346125 569722219 /nfs/dbraw/zinc/72/22/19/569722219.db2.gz ZBBNWERRMZMRTL-BDTNDASRSA-N 0 1 463.331 4.809 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)no1)Nc1ccc(F)cc1F ZINC000095481955 569724847 /nfs/dbraw/zinc/72/48/47/569724847.db2.gz HLUPVIIUSAMQML-UHFFFAOYSA-N 0 1 476.896 4.650 50 0 JJAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c(OC)c1OC ZINC000096115177 569734299 /nfs/dbraw/zinc/73/42/99/569734299.db2.gz BHIKRVFJIGDZEN-INIZCTEOSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN CCN(CC)[C@@H](CNC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccco1 ZINC000096134099 569736400 /nfs/dbraw/zinc/73/64/00/569736400.db2.gz IYLQZWBYKXAPLK-YLQXFRFJSA-N 0 1 467.566 4.685 50 0 JJAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000096523418 569740735 /nfs/dbraw/zinc/74/07/35/569740735.db2.gz NGHNNXFFYAYYSY-UHFFFAOYSA-N 0 1 459.638 4.893 50 0 JJAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000096523423 569740757 /nfs/dbraw/zinc/74/07/57/569740757.db2.gz CMXFHKNDAUJCCW-UHFFFAOYSA-N 0 1 483.616 4.635 50 0 JJAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000096523424 569740803 /nfs/dbraw/zinc/74/08/03/569740803.db2.gz HHPFJLBFMHQQRP-UHFFFAOYSA-N 0 1 483.616 4.635 50 0 JJAAMN Nc1cc(N)nc(SCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)n1 ZINC000097663989 569745711 /nfs/dbraw/zinc/74/57/11/569745711.db2.gz YBEVJXKTFPXSJC-HSNNOZIGSA-N 0 1 482.660 4.679 50 0 JJAAMN CC[C@@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1 ZINC000036048337 569755799 /nfs/dbraw/zinc/75/57/99/569755799.db2.gz UULIMZKPEUSURA-VAVYLYDRSA-N 0 1 458.602 4.941 50 0 JJAAMN CCCCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313831 569761106 /nfs/dbraw/zinc/76/11/06/569761106.db2.gz JZLDXXRAIQEOEP-HSZRJFAPSA-N 0 1 485.600 4.645 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316497 569763245 /nfs/dbraw/zinc/76/32/45/569763245.db2.gz DGTRHNRYMOAABW-JOCHJYFZSA-N 0 1 467.585 4.976 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316496 569763306 /nfs/dbraw/zinc/76/33/06/569763306.db2.gz DGTRHNRYMOAABW-QFIPXVFZSA-N 0 1 467.585 4.976 50 0 JJAAMN CC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(Cl)c2)CC1 ZINC000036340111 569763612 /nfs/dbraw/zinc/76/36/12/569763612.db2.gz UJEXLVWCVCCCSD-HSZRJFAPSA-N 0 1 451.014 4.589 50 0 JJAAMN CCCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340403 569763731 /nfs/dbraw/zinc/76/37/31/569763731.db2.gz XIYDIZSBUCYBCB-XMMPIXPASA-N 0 1 462.613 4.855 50 0 JJAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1 ZINC000036340454 569763804 /nfs/dbraw/zinc/76/38/04/569763804.db2.gz QQMCGYGLTKFSAU-MUUNZHRXSA-N 0 1 478.640 4.768 50 0 JJAAMN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@H](O)COCC(C)C)CC2)c1 ZINC000036340564 569764024 /nfs/dbraw/zinc/76/40/24/569764024.db2.gz LKZHZYWSHJWIJF-MHZLTWQESA-N 0 1 488.676 4.507 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342131 569765457 /nfs/dbraw/zinc/76/54/57/569765457.db2.gz NQHZDKXEAYEELQ-QHCPKHFHSA-N 0 1 453.558 4.722 50 0 JJAAMN COc1cccc(CN2CCC(c3nc(C)ccc3C(=O)N3CCc4ccccc4C3)CC2)c1OC ZINC000037554390 569794586 /nfs/dbraw/zinc/79/45/86/569794586.db2.gz PPIZZMZULGTFRO-UHFFFAOYSA-N 0 1 485.628 4.985 50 0 JJAAMN COc1cccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)c1 ZINC000037570540 569795800 /nfs/dbraw/zinc/79/58/00/569795800.db2.gz RAQCYMCNAICQKT-UHFFFAOYSA-N 0 1 450.604 4.864 50 0 JJAAMN CCN1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546589 569803417 /nfs/dbraw/zinc/80/34/17/569803417.db2.gz KNVDFAGINXKRSN-QHCPKHFHSA-N 0 1 450.608 4.594 50 0 JJAAMN CCN1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546599 569803420 /nfs/dbraw/zinc/80/34/20/569803420.db2.gz WIJPCCKQMDWZEM-RUZDIDTESA-N 0 1 493.629 4.928 50 0 JJAAMN COc1cc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc(OC)c1 ZINC000101827729 569805406 /nfs/dbraw/zinc/80/54/06/569805406.db2.gz FTWHLURNSQWGAF-UHFFFAOYSA-N 0 1 474.904 4.742 50 0 JJAAMN COc1cc(OC)c(NC(=O)CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000038729207 569806259 /nfs/dbraw/zinc/80/62/59/569806259.db2.gz BFCQERCMLWATRB-UHFFFAOYSA-N 0 1 485.934 4.522 50 0 JJAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000040050702 569814986 /nfs/dbraw/zinc/81/49/86/569814986.db2.gz LGNGWUCSGMSVRF-NRFANRHFSA-N 0 1 471.966 4.522 50 0 JJAAMN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102723639 569817609 /nfs/dbraw/zinc/81/76/09/569817609.db2.gz LAPBPRQUNKXYNB-YPAWHYETSA-N 0 1 497.334 4.831 50 0 JJAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Br)cc3)c(O)c2ON1c1ccccc1 ZINC000102730501 569818140 /nfs/dbraw/zinc/81/81/40/569818140.db2.gz YWWIZTJUVAVILE-YPAWHYETSA-N 0 1 479.330 4.509 50 0 JJAAMN O=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1cc(Br)ccc1Br ZINC000040152657 569820283 /nfs/dbraw/zinc/82/02/83/569820283.db2.gz WAEQQDRYZRYCJG-UHFFFAOYSA-N 0 1 478.181 4.752 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000102764038 569822703 /nfs/dbraw/zinc/82/27/03/569822703.db2.gz QIFYGGOSVKHCEK-YPAWHYETSA-N 0 1 497.320 4.648 50 0 JJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(Br)cc2C[C@H]1C ZINC000040450645 569828770 /nfs/dbraw/zinc/82/87/70/569828770.db2.gz OBIGJQRBMVSMKX-SNVBAGLBSA-N 0 1 457.777 4.509 50 0 JJAAMN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c23)cc1 ZINC000103528993 569835879 /nfs/dbraw/zinc/83/58/79/569835879.db2.gz VZDNATKYVOFSSX-IFMALSPDSA-N 0 1 466.324 4.785 50 0 JJAAMN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c23)cc1 ZINC000103529001 569835885 /nfs/dbraw/zinc/83/58/85/569835885.db2.gz VZDNATKYVOFSSX-UNMCSNQZSA-N 0 1 466.324 4.785 50 0 JJAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983716 569848193 /nfs/dbraw/zinc/84/81/93/569848193.db2.gz UPZRZSCKZXRLSC-XZOQPEGZSA-N 0 1 482.518 4.873 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000108522349 569859559 /nfs/dbraw/zinc/85/95/59/569859559.db2.gz HFMMCFRSDDRWCH-NXNJFABFSA-N 0 1 470.475 4.527 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000143603806 569867650 /nfs/dbraw/zinc/86/76/50/569867650.db2.gz BLTQNZDLBFLECQ-BHDDXSALSA-N 0 1 468.431 4.765 50 0 JJAAMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](c3ccccc3)N(Cc3ccc(F)cc3F)C2)C1 ZINC000169679495 569869814 /nfs/dbraw/zinc/86/98/14/569869814.db2.gz UEPLITUZENKSFC-FBLLAGFSSA-N 0 1 470.560 4.720 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Br)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000239287498 570050137 /nfs/dbraw/zinc/05/01/37/570050137.db2.gz CWWKVNPKUFVXGT-FKBYEOEOSA-N 0 1 479.330 4.509 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280358 570061795 /nfs/dbraw/zinc/06/17/95/570061795.db2.gz OASXBLJLLFEGDY-ILBGXUMGSA-N 0 1 479.621 4.566 50 0 JJAAMN COc1cccc(CN(C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245280763 570061855 /nfs/dbraw/zinc/06/18/55/570061855.db2.gz SJVYFFQUYBHHCH-AZGAKELHSA-N 0 1 464.993 4.947 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281449 570062315 /nfs/dbraw/zinc/06/23/15/570062315.db2.gz ZOVBCGWOCXYJEF-UKILVPOCSA-N 0 1 497.611 4.785 50 0 JJAAMN O=C([O-])c1ccc(C[NH2+]Cc2nn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)cc1 ZINC000247397160 570068134 /nfs/dbraw/zinc/06/81/34/570068134.db2.gz MKSIGICXDSSMJV-UHFFFAOYSA-N 0 1 450.901 4.774 50 0 JJAAMN O=C(CN(C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247727233 570068986 /nfs/dbraw/zinc/06/89/86/570068986.db2.gz DJZUXWJSBLCUER-FTJBHMTQSA-N 0 1 476.642 4.699 50 0 JJAAMN O[C@H](Cc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000247740188 570069113 /nfs/dbraw/zinc/06/91/13/570069113.db2.gz NJYHDSZVSJSJAV-JWQCQUIFSA-N 0 1 461.606 4.526 50 0 JJAAMN COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000247916716 570071173 /nfs/dbraw/zinc/07/11/73/570071173.db2.gz WKXYDWFOPBVHPC-OAQYLSRUSA-N 0 1 472.564 4.702 50 0 JJAAMN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000247916716 570071174 /nfs/dbraw/zinc/07/11/74/570071174.db2.gz WKXYDWFOPBVHPC-OAQYLSRUSA-N 0 1 472.564 4.702 50 0 JJAAMN COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247918170 570071189 /nfs/dbraw/zinc/07/11/89/570071189.db2.gz WSTPVKIXBIFMRF-DEOSSOPVSA-N 0 1 468.601 4.622 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247918170 570071190 /nfs/dbraw/zinc/07/11/90/570071190.db2.gz WSTPVKIXBIFMRF-DEOSSOPVSA-N 0 1 468.601 4.622 50 0 JJAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1C ZINC000247983432 570072027 /nfs/dbraw/zinc/07/20/27/570072027.db2.gz HVGWNACFHCAUSV-XMMPIXPASA-N 0 1 473.665 4.795 50 0 JJAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000248005892 570072639 /nfs/dbraw/zinc/07/26/39/570072639.db2.gz PREUNHUAUXTNGI-NRFANRHFSA-N 0 1 480.056 4.831 50 0 JJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000248074315 570073594 /nfs/dbraw/zinc/07/35/94/570073594.db2.gz IACWTMTVMHYQCM-QFQXNSOFSA-N 0 1 481.706 4.890 50 0 JJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000248117340 570074334 /nfs/dbraw/zinc/07/43/34/570074334.db2.gz VSGIDOHNUYLSLK-AJTFRIOCSA-N 0 1 487.669 4.767 50 0 JJAAMN CCCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249681574 570078532 /nfs/dbraw/zinc/07/85/32/570078532.db2.gz BQMINEWIOKGJPM-DEOSSOPVSA-N 0 1 473.665 4.570 50 0 JJAAMN CCn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000249693938 570078791 /nfs/dbraw/zinc/07/87/91/570078791.db2.gz OGHWQLFFWVMLOR-HXUWFJFHSA-N 0 1 499.581 4.636 50 0 JJAAMN CCn1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000249703360 570078960 /nfs/dbraw/zinc/07/89/60/570078960.db2.gz ZMGQSLLYFDMQMH-FQEVSTJZSA-N 0 1 499.581 4.636 50 0 JJAAMN CCn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000249703361 570078970 /nfs/dbraw/zinc/07/89/70/570078970.db2.gz ZMGQSLLYFDMQMH-HXUWFJFHSA-N 0 1 499.581 4.636 50 0 JJAAMN CCn1c(CN2CCC[C@H](C(=O)N3CCN(c4ccccc4C(C)C)CC3)C2)nc2ccccc21 ZINC000253607487 570104427 /nfs/dbraw/zinc/10/44/27/570104427.db2.gz VCEOWCRVODJWQQ-QHCPKHFHSA-N 0 1 473.665 4.740 50 0 JJAAMN 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Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)COc3ccccc3)n2)cc1Cl ZINC000036147833 525877098 /nfs/dbraw/zinc/87/70/98/525877098.db2.gz KLZZREUGUUWZRO-HXUWFJFHSA-N 0 1 467.953 4.776 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146331 525924014 /nfs/dbraw/zinc/92/40/14/525924014.db2.gz FAXDELZOWUIHHJ-AHKZPQOWSA-N 0 1 495.019 4.922 50 0 JJAAMN CSc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)cc1 ZINC000033071364 525985246 /nfs/dbraw/zinc/98/52/46/525985246.db2.gz YUWVYKOWCRFWOH-INIZCTEOSA-N 0 1 473.440 4.623 50 0 JJAAMN Cc1ccc2nc(CCc3cccc(NC(=O)CN4C(=O)COc5ccc(Cl)cc54)c3)[nH]c2c1 ZINC000021886239 526098107 /nfs/dbraw/zinc/09/81/07/526098107.db2.gz FFAKSMSMLXEPFM-UHFFFAOYSA-N 0 1 474.948 4.674 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1cccc2ccccc21 ZINC000033270763 526650544 /nfs/dbraw/zinc/65/05/44/526650544.db2.gz OEJVQYJSSNUUGK-UHFFFAOYSA-N 0 1 456.531 4.872 50 0 JJAAMN O=C(NCc1cccc(Br)c1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071367 526708973 /nfs/dbraw/zinc/70/89/73/526708973.db2.gz PPINWSJGYXPUQO-CQSZACIVSA-N 0 1 492.215 4.621 50 0 JJAAMN O=C(NCc1cccc(Br)c1)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071369 526709213 /nfs/dbraw/zinc/70/92/13/526709213.db2.gz PPINWSJGYXPUQO-AWEZNQCLSA-N 0 1 492.215 4.621 50 0 JJAAMN Cc1nc(CN(C)[C@@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)cs1 ZINC000014978488 526844082 /nfs/dbraw/zinc/84/40/82/526844082.db2.gz AQEJIAGSHMLCEQ-LJQANCHMSA-N 0 1 462.644 4.552 50 0 JJAAMN O[C@@H](COc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150907 527661396 /nfs/dbraw/zinc/66/13/96/527661396.db2.gz MEIVMTOPDVRYDJ-AREMUKBSSA-N 0 1 499.611 4.620 50 0 JJAAMN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000000634073 553720189 /nfs/dbraw/zinc/72/01/89/553720189.db2.gz TZLLOSFQKCSFBF-UHFFFAOYSA-N 0 1 470.938 4.855 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000000934385 553872957 /nfs/dbraw/zinc/87/29/57/553872957.db2.gz ZNUGSHLMTDPGBK-UHFFFAOYSA-N 0 1 474.542 4.939 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000000945484 553879344 /nfs/dbraw/zinc/87/93/44/553879344.db2.gz BFAPAKFYWAYDFH-UHFFFAOYSA-N 0 1 458.952 4.706 50 0 JJAAMN CCCOc1c(Br)cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)OCC)cc1OC ZINC000002114208 554052657 /nfs/dbraw/zinc/05/26/57/554052657.db2.gz ZVLPVLDXTPOFSZ-FQEVSTJZSA-N 0 1 489.366 4.575 50 0 JJAAMN O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccco1 ZINC000002259410 554120955 /nfs/dbraw/zinc/12/09/55/554120955.db2.gz MNMHURWHVWFQJQ-UHFFFAOYSA-N 0 1 458.293 4.683 50 0 JJAAMN COc1ccc(CN(C)C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)c(OC)c1OC ZINC000002624240 554248240 /nfs/dbraw/zinc/24/82/40/554248240.db2.gz DPYURSACHOSWRT-GOSISDBHSA-N 0 1 451.991 4.669 50 0 JJAAMN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2cc1C(C)C ZINC000002648651 554265331 /nfs/dbraw/zinc/26/53/31/554265331.db2.gz JTQFKDKEVFKENY-UHFFFAOYSA-N 0 1 464.547 4.637 50 0 JJAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1C[C@H]1CCCO1 ZINC000002663877 554276760 /nfs/dbraw/zinc/27/67/60/554276760.db2.gz FMWPZMXVIOMGAE-OAHLLOKOSA-N 0 1 475.412 4.807 50 0 JJAAMN CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)[nH]2)c1 ZINC000002693098 554289533 /nfs/dbraw/zinc/28/95/33/554289533.db2.gz ZSZBABCBKCLWET-UHFFFAOYSA-N 0 1 489.644 4.591 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)n1 ZINC000002749993 554325821 /nfs/dbraw/zinc/32/58/21/554325821.db2.gz QGVPODQDMHDEBY-UHFFFAOYSA-N 0 1 486.553 4.771 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(OC)c1 ZINC000002883285 554404956 /nfs/dbraw/zinc/40/49/56/554404956.db2.gz GIEKMBRSGRZMSW-UHFFFAOYSA-N 0 1 461.927 4.802 50 0 JJAAMN COc1ccc(NC(=O)CS(=O)(=O)c2[nH]c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1Cl ZINC000006150561 554512200 /nfs/dbraw/zinc/51/22/00/554512200.db2.gz JPOSOYFVLQVXMP-UHFFFAOYSA-N 0 1 499.951 4.957 50 0 JJAAMN CCc1nc(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000008740072 554642062 /nfs/dbraw/zinc/64/20/62/554642062.db2.gz FOBHGICENKVURL-UTYLXRCDSA-N 0 1 480.649 4.902 50 0 biogenic JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845380 554742288 /nfs/dbraw/zinc/74/22/88/554742288.db2.gz MQSKVQZGPJBXIB-HSZRJFAPSA-N 0 1 465.893 4.797 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845684 554743388 /nfs/dbraw/zinc/74/33/88/554743388.db2.gz YARWXBPVSGWDMG-HHHXNRCGSA-N 0 1 469.541 4.978 50 0 JJAAMN COc1ccc(C(O)=C2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000008964748 554838672 /nfs/dbraw/zinc/83/86/72/554838672.db2.gz KODSWGCCEZKECY-YIPGRGJBSA-N 0 1 498.966 4.911 50 0 biogenic JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)c1 ZINC000009090614 554891482 /nfs/dbraw/zinc/89/14/82/554891482.db2.gz FRFOPNSZXQOIOX-GOSISDBHSA-N 0 1 477.542 4.892 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2cccc(O)c2)cc1OC ZINC000009124166 554915196 /nfs/dbraw/zinc/91/51/96/554915196.db2.gz HDARKLIUUMSABH-MHZLTWQESA-N 0 1 499.567 4.910 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCOC(C)C)ccc1O ZINC000009124550 554915915 /nfs/dbraw/zinc/91/59/15/554915915.db2.gz MGRGMNXAIUWWJK-XMMPIXPASA-N 0 1 485.968 4.819 50 0 JJAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000009174160 554955071 /nfs/dbraw/zinc/95/50/71/554955071.db2.gz DJSFZMDWGKZRPU-UHFFFAOYSA-N 0 1 460.596 4.602 50 0 JJAAMN CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(c1ccc(Br)cc1)C2=O ZINC000009216033 554983987 /nfs/dbraw/zinc/98/39/87/554983987.db2.gz KLCFPVBXUQOYQC-QHCPKHFHSA-N 0 1 464.319 4.704 50 0 JJAAMN COc1ccc(Cc2n[nH]c(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)n2)cc1 ZINC000009261689 555036649 /nfs/dbraw/zinc/03/66/49/555036649.db2.gz UNAZOWRGRWILDP-UHFFFAOYSA-N 0 1 451.577 4.567 50 0 JJAAMN O=S(=O)(NCCN(Cc1ccco1)C1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268836 555044073 /nfs/dbraw/zinc/04/40/73/555044073.db2.gz VANZUXUUFBDCNH-UHFFFAOYSA-N 0 1 489.541 4.738 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000009293437 555069054 /nfs/dbraw/zinc/06/90/54/555069054.db2.gz HFMMCFRSDDRWCH-KALPRAJFSA-N 0 1 470.475 4.527 50 0 JJAAMN CC[C@H](C)Cc1c(C)sc2[nH]c(CSc3nc(-c4ccc(OC)cc4)n[nH]3)nc(=O)c12 ZINC000009349346 555116321 /nfs/dbraw/zinc/11/63/21/555116321.db2.gz GXOAQSAVYSESHJ-LBPRGKRZSA-N 0 1 455.609 4.968 50 0 JJAAMN COc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000009354767 555119231 /nfs/dbraw/zinc/11/92/31/555119231.db2.gz TVCMTHHLWWHWTH-UHFFFAOYSA-N 0 1 453.545 4.666 50 0 JJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1OCC ZINC000009408964 555172282 /nfs/dbraw/zinc/17/22/82/555172282.db2.gz OKIZROVOINRJQI-DWXRJYCRSA-N 0 1 477.561 4.694 50 0 JJAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1OCC ZINC000009409046 555172511 /nfs/dbraw/zinc/17/25/11/555172511.db2.gz BRHGZGSGUJDVJK-SANMLTNESA-N 0 1 479.577 4.942 50 0 JJAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009409047 555172792 /nfs/dbraw/zinc/17/27/92/555172792.db2.gz DMNPHSCVLHNXMH-AREMUKBSSA-N 0 1 479.577 4.798 50 0 JJAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1OCC ZINC000009409084 555172830 /nfs/dbraw/zinc/17/28/30/555172830.db2.gz CSLRBQMRRQSTTE-VWLOTQADSA-N 0 1 465.550 4.552 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)cc1OC ZINC000009409105 555173051 /nfs/dbraw/zinc/17/30/51/555173051.db2.gz UMEYDTAMTFRKOO-RUZDIDTESA-N 0 1 465.550 4.550 50 0 JJAAMN CCCCc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)cc1 ZINC000009488755 555263884 /nfs/dbraw/zinc/26/38/84/555263884.db2.gz JTXHMLAMILQWJU-UHFFFAOYSA-N 0 1 482.013 4.776 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1 ZINC000009529533 555323766 /nfs/dbraw/zinc/32/37/66/555323766.db2.gz FVOYMVJPBJNUAV-UHFFFAOYSA-N 0 1 466.607 4.806 50 0 JJAAMN Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000009540988 555334074 /nfs/dbraw/zinc/33/40/74/555334074.db2.gz GPXFUZVOPGXGQA-UHFFFAOYSA-N 0 1 494.795 4.740 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)n1 ZINC000009546570 555342062 /nfs/dbraw/zinc/34/20/62/555342062.db2.gz FEJOIKIGZILTCY-UHFFFAOYSA-N 0 1 485.009 4.998 50 0 JJAAMN C[C@H](NCc1cc(Br)ccc1OCC(=O)NCc1ccccc1)c1ccccc1 ZINC000013153142 555359421 /nfs/dbraw/zinc/35/94/21/555359421.db2.gz ILDGMUUMFPEELX-SFHVURJKSA-N 0 1 453.380 4.995 50 0 JJAAMN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(Cl)c(C)cc3OC)cc2)n1 ZINC000009572450 555369282 /nfs/dbraw/zinc/36/92/82/555369282.db2.gz RKBJORQJQNFLLV-UHFFFAOYSA-N 0 1 461.975 4.732 50 0 JJAAMN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000009586927 555398105 /nfs/dbraw/zinc/39/81/05/555398105.db2.gz PSWQTTSLNOQEOR-QGZVFWFLSA-N 0 1 457.559 4.694 50 0 JJAAMN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccc3nc(-c4cccnc4)[nH]c3c2)CC1 ZINC000009679671 555406860 /nfs/dbraw/zinc/40/68/60/555406860.db2.gz OFXITAMWFMAWJW-SANMLTNESA-N 0 1 496.571 4.812 50 0 JJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000009790743 555509725 /nfs/dbraw/zinc/50/97/25/555509725.db2.gz ZOEIASZYCBYJIK-UHFFFAOYSA-N 0 1 497.930 4.642 50 0 JJAAMN Cc1ccc(Nc2nc(N)nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c(C)c1 ZINC000019891075 555530119 /nfs/dbraw/zinc/53/01/19/555530119.db2.gz BRRPHGNUERWFRZ-UHFFFAOYSA-N 0 1 479.632 4.721 50 0 JJAAMN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000013607148 555531309 /nfs/dbraw/zinc/53/13/09/555531309.db2.gz GMFSZWFKYGVOPH-PUWQJRQGSA-N 0 1 486.955 4.977 50 0 JJAAMN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000013607145 555531346 /nfs/dbraw/zinc/53/13/46/555531346.db2.gz GMFSZWFKYGVOPH-KPGAXOGXSA-N 0 1 486.955 4.977 50 0 JJAAMN C[C@H]1CCC[C@H](C)N1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035829 555610212 /nfs/dbraw/zinc/61/02/12/555610212.db2.gz LONHDMCVZUSNEC-PMACEKPBSA-N 0 1 460.574 4.914 50 0 JJAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccccc4Br)ccc3n2)CC1 ZINC000020108643 555643807 /nfs/dbraw/zinc/64/38/07/555643807.db2.gz IXBJNDSFMJYTDH-UHFFFAOYSA-N 0 1 467.411 4.629 50 0 JJAAMN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000014186153 555727185 /nfs/dbraw/zinc/72/71/85/555727185.db2.gz RREOJMQSTUSCGT-QHCPKHFHSA-N 0 1 486.572 4.716 50 0 JJAAMN O=c1c2ccccc2nc(CSc2nc(-c3ccccc3Br)n[nH]2)n1C1CC1 ZINC000014231175 555737264 /nfs/dbraw/zinc/73/72/64/555737264.db2.gz RSCJWSJBPYNYBU-UHFFFAOYSA-N 0 1 454.353 4.571 50 0 JJAAMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000011403062 555777666 /nfs/dbraw/zinc/77/76/66/555777666.db2.gz WRQNCWXVDXJPRO-UHFFFAOYSA-N 0 1 450.848 4.850 50 0 JJAAMN 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CCOC(=O)c1c2c(sc1NC(=O)[C@H](Sc1n[nH]c(C)n1)c1ccccc1)C[C@@H](C)CC2 ZINC000012582456 556080073 /nfs/dbraw/zinc/08/00/73/556080073.db2.gz RSAUKHRIXDFNEN-ORAYPTAESA-N 0 1 470.620 4.948 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](Sc1nc(C)n[nH]1)c1ccccc1)C[C@@H](C)CC2 ZINC000012582456 556080074 /nfs/dbraw/zinc/08/00/74/556080074.db2.gz RSAUKHRIXDFNEN-ORAYPTAESA-N 0 1 470.620 4.948 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C=CCC3)ccc2OC)cc1Br ZINC000012583967 556081229 /nfs/dbraw/zinc/08/12/29/556081229.db2.gz QBYLHUDVNLAQEH-CQSZACIVSA-N 0 1 495.395 4.562 50 0 JJAAMN CCc1nc(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000012655062 556098777 /nfs/dbraw/zinc/09/87/77/556098777.db2.gz FOBHGICENKVURL-HSONZMSHSA-N 0 1 480.649 4.902 50 0 biogenic JJAAMN COc1cccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)N(C)C)c1 ZINC000012922744 556141652 /nfs/dbraw/zinc/14/16/52/556141652.db2.gz XRSGMRIRLBCAHT-AREMUKBSSA-N 0 1 454.574 4.640 50 0 JJAAMN CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000016534138 556142441 /nfs/dbraw/zinc/14/24/41/556142441.db2.gz TYSVKXXDYZERGE-BKUYFWCQSA-N 0 1 450.926 4.585 50 0 JJAAMN O=C(COc1cccc(Oc2ccccn2)c1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000024836113 556159047 /nfs/dbraw/zinc/15/90/47/556159047.db2.gz YNVAJWLRYJYHPX-QHCPKHFHSA-N 0 1 451.954 4.859 50 0 JJAAMN Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(F)cc4)c3)ccc2o1 ZINC000024927295 556164139 /nfs/dbraw/zinc/16/41/39/556164139.db2.gz ZEUYTUPKIHNMRZ-UHFFFAOYSA-N 0 1 459.886 4.982 50 0 JJAAMN O=C(CSc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000025051105 556174564 /nfs/dbraw/zinc/17/45/64/556174564.db2.gz HUISWGPQGKIRIS-QFIPXVFZSA-N 0 1 463.578 4.561 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000017010267 556199755 /nfs/dbraw/zinc/19/97/55/556199755.db2.gz BVINRKCEWSEPOF-UHFFFAOYSA-N 0 1 456.589 4.767 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000017010219 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CEGAPRIZWVWVHJ-BGYRXZFFSA-N 0 1 460.574 4.629 50 0 JJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000013116930 556324642 /nfs/dbraw/zinc/32/46/42/556324642.db2.gz AOMQQCOHEOCBRL-MRXNPFEDSA-N 0 1 453.524 4.735 50 0 JJAAMN O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029956580 556360913 /nfs/dbraw/zinc/36/09/13/556360913.db2.gz PQZIJJOHEHFXNA-IRLDBZIGSA-N 0 1 480.446 4.577 50 0 JJAAMN CCOc1ccccc1N1CCN(Cc2cc3ccc(Cl)cc3n(Cc3ccccn3)c2=O)CC1 ZINC000019720345 556361851 /nfs/dbraw/zinc/36/18/51/556361851.db2.gz KRYKZCFDZPAYNM-UHFFFAOYSA-N 0 1 489.019 4.819 50 0 JJAAMN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)ccc1Cl ZINC000032931774 556546869 /nfs/dbraw/zinc/54/68/69/556546869.db2.gz AXAHZVOXXUYWMJ-UHFFFAOYSA-N 0 1 472.929 4.525 50 0 JJAAMN CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O ZINC000008677005 562950570 /nfs/dbraw/zinc/95/05/70/562950570.db2.gz UCYNFHPNROQCAA-UHFFFAOYSA-N 0 1 458.518 4.550 50 0 JJAAMN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)C1 ZINC000008680293 562950829 /nfs/dbraw/zinc/95/08/29/562950829.db2.gz CEGAPRIZWVWVHJ-WOJBJXKFSA-N 0 1 460.574 4.629 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCSc3ccccc3)ccc2OC)cc1 ZINC000008685554 562952497 /nfs/dbraw/zinc/95/24/97/562952497.db2.gz GDNKMTKRRSDQFE-UHFFFAOYSA-N 0 1 472.588 4.626 50 0 JJAAMN O=C(c1sc2c(c1Cl)c(OC(F)F)ccc2Br)N1CCN2CCC[C@H]2C1 ZINC000054972783 569590321 /nfs/dbraw/zinc/59/03/21/569590321.db2.gz CSLGMXKYJFTFCA-VIFPVBQESA-N 0 1 465.747 4.839 50 0 JJAAMN CCOCCCNC(=O)COc1ccc(-c2ccsc2)cc1CN1CCN(c2ccccc2)CC1 ZINC000055072460 569590730 /nfs/dbraw/zinc/59/07/30/569590730.db2.gz LLBIXPYRSZQTOB-UHFFFAOYSA-N 0 1 493.673 4.659 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000057222947 569594749 /nfs/dbraw/zinc/59/47/49/569594749.db2.gz FGEJADCSAWDBEN-UHFFFAOYSA-N 0 1 461.537 4.577 50 0 JJAAMN COCCN1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000057315416 569597001 /nfs/dbraw/zinc/59/70/01/569597001.db2.gz WETFNCUSYNJBPN-UHFFFAOYSA-N 0 1 454.665 4.631 50 0 JJAAMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000008718351 569597058 /nfs/dbraw/zinc/59/70/58/569597058.db2.gz GCDLYDGCOUUXSB-DEOSSOPVSA-N 0 1 456.546 4.708 50 0 JJAAMN O=C([O-])c1cc(N2CC[NH+](Cc3ccccc3F)CC2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000033010400 569616713 /nfs/dbraw/zinc/61/67/13/569616713.db2.gz GBTGMOBZRQZDQN-UHFFFAOYSA-N 0 1 484.531 4.647 50 0 JJAAMN O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000064557913 569618258 /nfs/dbraw/zinc/61/82/58/569618258.db2.gz ZHIJBXKTLBRYCQ-LJQANCHMSA-N 0 1 470.344 4.781 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064557883 569618314 /nfs/dbraw/zinc/61/83/14/569618314.db2.gz SIVMNNVLAFAWPD-NRFANRHFSA-N 0 1 497.956 4.848 50 0 JJAAMN O=c1cc(CSc2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)nc2ccc(Cl)cn12 ZINC000033026154 569620984 /nfs/dbraw/zinc/62/09/84/569620984.db2.gz IJYMEVHGONJQQS-UHFFFAOYSA-N 0 1 493.944 4.719 50 0 JJAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(NC2CCCCC2)n1 ZINC000064814584 569632341 /nfs/dbraw/zinc/63/23/41/569632341.db2.gz FIKPMVKAKGFOOI-UHFFFAOYSA-N 0 1 491.661 4.708 50 0 JJAAMN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)N(Cc3ccc(F)cc3F)C2)C1 ZINC000034669785 569640817 /nfs/dbraw/zinc/64/08/17/569640817.db2.gz UEPLITUZENKSFC-TZBSWOFLSA-N 0 1 470.560 4.720 50 0 JJAAMN O=C(COc1ccccc1)Nc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681984 569643725 /nfs/dbraw/zinc/64/37/25/569643725.db2.gz FORZUBDZINOIHM-UHFFFAOYSA-N 0 1 484.522 4.830 50 0 JJAAMN COc1ccc(CN2CCC(N(C(=O)c3ccco3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682846 569644094 /nfs/dbraw/zinc/64/40/94/569644094.db2.gz ARZDWGSCGZZKCB-UHFFFAOYSA-N 0 1 480.561 4.625 50 0 JJAAMN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000034683601 569644431 /nfs/dbraw/zinc/64/44/31/569644431.db2.gz HQEXXPCNTGSHBF-UHFFFAOYSA-N 0 1 464.537 4.860 50 0 JJAAMN COc1cc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683505 569644529 /nfs/dbraw/zinc/64/45/29/569644529.db2.gz VGILRKOASWMROS-UHFFFAOYSA-N 0 1 452.501 4.990 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(C)n2C)sc1C(=O)N1CCCC1 ZINC000065036429 569653301 /nfs/dbraw/zinc/65/33/01/569653301.db2.gz KCFIUVAWQYOCDW-UHFFFAOYSA-N 0 1 493.054 4.764 50 0 JJAAMN Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000034737594 569654526 /nfs/dbraw/zinc/65/45/26/569654526.db2.gz JDYCSAJMTSPYSD-UHFFFAOYSA-N 0 1 453.539 4.767 50 0 JJAAMN COc1ccccc1N1CCN(CCCNc2ccc(-c3nc(-c4ccc(C)cc4)no3)cn2)CC1 ZINC000065097820 569661679 /nfs/dbraw/zinc/66/16/79/569661679.db2.gz DAIICUCAPBYQMB-UHFFFAOYSA-N 0 1 484.604 4.740 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(CC)cc1 ZINC000034814873 569662857 /nfs/dbraw/zinc/66/28/57/569662857.db2.gz QBYMBHDRARSKCR-UHFFFAOYSA-N 0 1 473.665 4.937 50 0 JJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034830394 569663826 /nfs/dbraw/zinc/66/38/26/569663826.db2.gz ODOBQRCAJJDHSK-NBGIEHNGSA-N 0 1 493.698 4.829 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)CC(C)C ZINC000034832070 569664494 /nfs/dbraw/zinc/66/44/94/569664494.db2.gz VOAKEBHOISKKHD-HXUWFJFHSA-N 0 1 457.638 4.635 50 0 JJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)C1CCCC1 ZINC000034834470 569664811 /nfs/dbraw/zinc/66/48/11/569664811.db2.gz AHTOULRFVVPCGL-UHFFFAOYSA-N 0 1 469.649 4.637 50 0 JJAAMN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CCC)Cc1cccn1C ZINC000034836582 569665757 /nfs/dbraw/zinc/66/57/57/569665757.db2.gz JOCHRUWMBCVXBO-UHFFFAOYSA-N 0 1 480.676 4.857 50 0 JJAAMN Cc1nc(-c2csc(S(=O)(=O)Nc3ccc(F)cc3F)c2)sc1C(=O)N1CCCCC1 ZINC000065117082 569667091 /nfs/dbraw/zinc/66/70/91/569667091.db2.gz YWTZWSAOLLMAPL-UHFFFAOYSA-N 0 1 483.587 4.885 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137495 569668374 /nfs/dbraw/zinc/66/83/74/569668374.db2.gz CYCCAAZSSASTRZ-UHFFFAOYSA-N 0 1 493.054 4.846 50 0 JJAAMN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000067189421 569677167 /nfs/dbraw/zinc/67/71/67/569677167.db2.gz GMFSZWFKYGVOPH-DAHKTCFSSA-N 0 1 486.955 4.977 50 0 JJAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C)cc2)cc1Cl ZINC000035372926 569683392 /nfs/dbraw/zinc/68/33/92/569683392.db2.gz TXFAYHIXALHGLJ-UHFFFAOYSA-N 0 1 471.026 4.652 50 0 JJAAMN CCOc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000035372974 569683474 /nfs/dbraw/zinc/68/34/74/569683474.db2.gz XVEOFAJNANBXQW-UHFFFAOYSA-N 0 1 471.026 4.734 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397160 569687824 /nfs/dbraw/zinc/68/78/24/569687824.db2.gz CBIKNDKIYSYXHB-UHFFFAOYSA-N 0 1 492.645 4.708 50 0 JJAAMN O=C([O-])c1cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1NC(=O)C1CC1 ZINC000035422772 569692847 /nfs/dbraw/zinc/69/28/47/569692847.db2.gz QBZBDSTXJLBIHG-UHFFFAOYSA-N 0 1 491.538 4.923 50 0 JJAAMN CSc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000071328661 569696977 /nfs/dbraw/zinc/69/69/77/569696977.db2.gz OUPIVYWHYQWYJO-QFIPXVFZSA-N 0 1 479.579 4.943 50 0 JJAAMN COc1ccc2nc(SCC(=O)Nc3nc4cccc(OC(F)(F)F)c4s3)[nH]c2c1 ZINC000072333687 569703234 /nfs/dbraw/zinc/70/32/34/569703234.db2.gz FEQFKKZNTFMADP-UHFFFAOYSA-N 0 1 454.455 4.811 50 0 JJAAMN O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4Cl)N4CCCCCC4)c3=O)c2N1 ZINC000035671340 569706043 /nfs/dbraw/zinc/70/60/43/569706043.db2.gz FNJYCIZTJGSBBY-INIZCTEOSA-N 0 1 475.039 4.773 50 0 JJAAMN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 ZINC000035815301 569712407 /nfs/dbraw/zinc/71/24/07/569712407.db2.gz DHDPFUYSWQHLTE-UHFFFAOYSA-N 0 1 467.369 4.673 50 0 JJAAMN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)cc1 ZINC000086048484 569716874 /nfs/dbraw/zinc/71/68/74/569716874.db2.gz MSKKEEGZPDVLJX-UHFFFAOYSA-N 0 1 450.583 4.875 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035871736 569718893 /nfs/dbraw/zinc/71/88/93/569718893.db2.gz ZEFCGJSJTKYJJU-XNMGPUDCSA-N 0 1 476.020 4.528 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035871744 569718899 /nfs/dbraw/zinc/71/88/99/569718899.db2.gz IBVKZEOQOOGUOU-IXCJQBJRSA-N 0 1 490.047 4.571 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871762 569718913 /nfs/dbraw/zinc/71/89/13/569718913.db2.gz MERTWDHXFPMKRY-NBYOPXRUSA-N 0 1 473.592 4.575 50 0 JJAAMN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000089823111 569719933 /nfs/dbraw/zinc/71/99/33/569719933.db2.gz VLFBVIGKJFELSW-UHFFFAOYSA-N 0 1 462.977 4.731 50 0 JJAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)ccc1OC(F)F ZINC000096114526 569733693 /nfs/dbraw/zinc/73/36/93/569733693.db2.gz VGHGICDIZBAISC-HNNXBMFYSA-N 0 1 496.418 4.922 50 0 biogenic JJAAMN CC[C@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1 ZINC000036048335 569755789 /nfs/dbraw/zinc/75/57/89/569755789.db2.gz UULIMZKPEUSURA-ABYGYWHVSA-N 0 1 458.602 4.941 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036301528 569758995 /nfs/dbraw/zinc/75/89/95/569758995.db2.gz LEFAVBKALKQFMP-QFIPXVFZSA-N 0 1 467.610 4.504 50 0 JJAAMN O[C@H](Cc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312955 569760412 /nfs/dbraw/zinc/76/04/12/569760412.db2.gz NJYHDSZVSJSJAV-RPBOFIJWSA-N 0 1 461.606 4.526 50 0 JJAAMN CCCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313799 569761163 /nfs/dbraw/zinc/76/11/63/569761163.db2.gz WKONWJWEWNAHPJ-QFIPXVFZSA-N 0 1 467.610 4.888 50 0 JJAAMN Cc1ccc(Oc2c(CN(C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316068 569762008 /nfs/dbraw/zinc/76/20/08/569762008.db2.gz AVPVLOZXCKHZIA-AHWVRZQESA-N 0 1 493.648 4.955 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036316480 569763026 /nfs/dbraw/zinc/76/30/26/569763026.db2.gz APRGMQIRNCHSDP-NRFANRHFSA-N 0 1 455.574 4.976 50 0 JJAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340069 569763582 /nfs/dbraw/zinc/76/35/82/569763582.db2.gz BFYORDLBXDGFBT-SANMLTNESA-N 0 1 488.676 4.862 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345819 569768262 /nfs/dbraw/zinc/76/82/62/569768262.db2.gz LCLODVOIEILTMH-QFIPXVFZSA-N 0 1 455.574 4.974 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346591 569770158 /nfs/dbraw/zinc/77/01/58/569770158.db2.gz CIXCXNLBYMKIRG-OAQYLSRUSA-N 0 1 459.537 4.859 50 0 JJAAMN C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000037133161 569781365 /nfs/dbraw/zinc/78/13/65/569781365.db2.gz YLEHMJUQHQEBPX-KCOPFZBASA-N 0 1 486.741 4.694 50 0 biogenic JJAAMN CCc1cc([C@H](c2cccc(OC)c2OC)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546558 569803196 /nfs/dbraw/zinc/80/31/96/569803196.db2.gz CRHCNFNKTPAOBY-QHCPKHFHSA-N 0 1 483.634 4.900 50 0 JJAAMN CCN1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546587 569803329 /nfs/dbraw/zinc/80/33/29/569803329.db2.gz ZVBZCUDYULWNQX-QHCPKHFHSA-N 0 1 450.608 4.594 50 0 JJAAMN COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2O)cc1 ZINC000039354033 569809380 /nfs/dbraw/zinc/80/93/80/569809380.db2.gz JOFJLOZPEYGSDT-UHFFFAOYSA-N 0 1 484.600 4.967 50 0 JJAAMN CCCn1c(CN[C@@H](c2ccc(CC)cc2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000039992451 569813446 /nfs/dbraw/zinc/81/34/46/569813446.db2.gz MPQILHVUSWNBNS-RUZDIDTESA-N 0 1 456.656 4.746 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000102691433 569815875 /nfs/dbraw/zinc/81/58/75/569815875.db2.gz ASXVFWBECPQAOH-FSSWDIPSSA-N 0 1 452.869 4.539 50 0 JJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(Br)cc2C[C@H]1C ZINC000040450677 569828912 /nfs/dbraw/zinc/82/89/12/569828912.db2.gz IUVZEICXQYZCQJ-CYBMUJFWSA-N 0 1 451.386 4.671 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982899 569848103 /nfs/dbraw/zinc/84/81/03/569848103.db2.gz HQCFRKHXPZRMPJ-FCHUYYIVSA-N 0 1 451.394 4.775 50 0 JJAAMN CCCC(=O)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984374 569848377 /nfs/dbraw/zinc/84/83/77/569848377.db2.gz BIGGIJGOPQQQFP-FGZHOGPDSA-N 0 1 479.404 4.693 50 0 JJAAMN O[C@@H](COc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984638 569848827 /nfs/dbraw/zinc/84/88/27/569848827.db2.gz XOYBHBJCMBJACM-ILBGXUMGSA-N 0 1 450.966 4.775 50 0 JJAAMN Cc1ccc(Oc2c(CN(C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007289 569849830 /nfs/dbraw/zinc/84/98/30/569849830.db2.gz AVPVLOZXCKHZIA-RSXGOPAZSA-N 0 1 493.648 4.955 50 0 JJAAMN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137718495 569865221 /nfs/dbraw/zinc/86/52/21/569865221.db2.gz GSABNNPPGFSLPR-ISJGIBHGSA-N 0 1 458.514 4.535 50 0 JJAAMN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137718495 569865222 /nfs/dbraw/zinc/86/52/22/569865222.db2.gz GSABNNPPGFSLPR-ISJGIBHGSA-N 0 1 458.514 4.535 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000137842632 569865258 /nfs/dbraw/zinc/86/52/58/569865258.db2.gz OVBRODNAMZDVAL-RBZQAINGSA-N 0 1 478.932 4.717 50 0 JJAAMN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169677907 569869022 /nfs/dbraw/zinc/86/90/22/569869022.db2.gz FJFFUYYYIDLHJM-UPVQGACJSA-N 0 1 459.556 4.731 50 0 JJAAMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000229792710 570041302 /nfs/dbraw/zinc/04/13/02/570041302.db2.gz JVZRARCVOJHXPK-BERHBOFZSA-N 0 1 465.638 4.586 50 0 JJAAMN CCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000247886505 570070523 /nfs/dbraw/zinc/07/05/23/570070523.db2.gz KXVDYRSYRZTVIP-HSZRJFAPSA-N 0 1 462.638 4.954 50 0 JJAAMN CC(C)N(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988979 570072259 /nfs/dbraw/zinc/07/22/59/570072259.db2.gz LBMJPPGWFMQJEY-SFHVURJKSA-N 0 1 469.427 4.867 50 0 JJAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000247994477 570072448 /nfs/dbraw/zinc/07/24/48/570072448.db2.gz CGWGCMAVZSROKA-YTMVLYRLSA-N 0 1 450.586 4.651 50 0 JJAAMN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000248256162 570076893 /nfs/dbraw/zinc/07/68/93/570076893.db2.gz KXPQUHHNPNEABT-NDBXHCKUSA-N 0 1 450.538 4.970 50 0 JJAAMN CCCCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248251117 570076961 /nfs/dbraw/zinc/07/69/61/570076961.db2.gz SJFBFNNICFFPRO-GOSISDBHSA-N 0 1 469.427 4.916 50 0 JJAAMN CCCCN(CC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000248273856 570077450 /nfs/dbraw/zinc/07/74/50/570077450.db2.gz XJUSFFHBGJZKAQ-QHCPKHFHSA-N 0 1 462.638 4.954 50 0 JJAAMN COc1cc([C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc2c1OCO2 ZINC000253471182 570099294 /nfs/dbraw/zinc/09/92/94/570099294.db2.gz NLPAANRGXUCLTE-INIZCTEOSA-N 0 1 491.418 4.571 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C(C)(C)C)cc2)n1 ZINC000001033581 194006646 /nfs/dbraw/zinc/00/66/46/194006646.db2.gz WTIJGRPXWBBNRK-UHFFFAOYSA-N 0 1 453.568 4.836 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2)cc1 ZINC000001122623 194034518 /nfs/dbraw/zinc/03/45/18/194034518.db2.gz PVOZKKHBWOIJQN-UHFFFAOYSA-N 0 1 453.749 4.627 50 0 JJAAMN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)cc(Br)c3O)C2=O)cc1 ZINC000001164593 194056781 /nfs/dbraw/zinc/05/67/81/194056781.db2.gz RPISDNODMZBWLI-CHHVJCJISA-N 0 1 481.755 4.792 50 0 JJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3cccnc3)c3ccc(C)cc3)n2)cc1 ZINC000001238029 194078208 /nfs/dbraw/zinc/07/82/08/194078208.db2.gz QELQGZCJRUZJOO-JOCHJYFZSA-N 0 1 459.575 4.724 50 0 JJAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000001453428 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CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2Cl)cc1 ZINC000012751808 195106265 /nfs/dbraw/zinc/10/62/65/195106265.db2.gz CFVCBDROHUIEHI-INIZCTEOSA-N 0 1 473.982 4.558 50 0 JJAAMN CC(C)CN1CCO[C@@H](CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)C1 ZINC000012772982 195118960 /nfs/dbraw/zinc/11/89/60/195118960.db2.gz OELOUXSZYWPKDL-LJQANCHMSA-N 0 1 451.596 4.517 50 0 JJAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000020678175 195203047 /nfs/dbraw/zinc/20/30/47/195203047.db2.gz QWCXHBGFEKESQX-UHFFFAOYSA-N 0 1 497.643 4.700 50 0 JJAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020678122 195203052 /nfs/dbraw/zinc/20/30/52/195203052.db2.gz UGCSTYHMWJPGKQ-UHFFFAOYSA-N 0 1 453.590 4.626 50 0 JJAAMN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000020987169 195260920 /nfs/dbraw/zinc/26/09/20/195260920.db2.gz XFHJXBQJKMZIMF-UHFFFAOYSA-N 0 1 489.479 4.645 50 0 JJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000021367869 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/nfs/dbraw/zinc/71/93/42/519719342.db2.gz PITQXCAZEAVLHJ-UHFFFAOYSA-N 0 1 491.661 4.579 50 0 JJAAMN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308301 519757604 /nfs/dbraw/zinc/75/76/04/519757604.db2.gz ZVMZHNFDDRTYME-RSXGOPAZSA-N 0 1 493.648 4.894 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146034 519771631 /nfs/dbraw/zinc/77/16/31/519771631.db2.gz PBUHDAYBEHVKPZ-PMACEKPBSA-N 0 1 451.394 4.775 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307088 519771842 /nfs/dbraw/zinc/77/18/42/519771842.db2.gz VMTAMEVBMHPTFF-QFIPXVFZSA-N 0 1 453.558 4.769 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302660 520095353 /nfs/dbraw/zinc/09/53/53/520095353.db2.gz UTGOIUOSITWVEN-QHCPKHFHSA-N 0 1 479.621 4.845 50 0 JJAAMN CCN(CC)c1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000022652619 520920565 /nfs/dbraw/zinc/92/05/65/520920565.db2.gz VVQJWTUOQJOHJL-UHFFFAOYSA-N 0 1 459.593 4.656 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4n[nH]cc4c3)ccc2Cl)cc1 ZINC000012525645 521129579 /nfs/dbraw/zinc/12/95/79/521129579.db2.gz QNZJJBITXYJYTD-UHFFFAOYSA-N 0 1 470.938 4.668 50 0 JJAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c1 ZINC000016780405 521171156 /nfs/dbraw/zinc/17/11/56/521171156.db2.gz SEHHEKNIBQBZHB-UHFFFAOYSA-N 0 1 451.548 4.908 50 0 JJAAMN CCCc1nc(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)n[nH]1 ZINC000021727010 521463377 /nfs/dbraw/zinc/46/33/77/521463377.db2.gz SUNJNAWNZHHVSB-UHFFFAOYSA-N 0 1 468.608 4.525 50 0 JJAAMN CCCc1n[nH]c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)n1 ZINC000021727010 521463384 /nfs/dbraw/zinc/46/33/84/521463384.db2.gz SUNJNAWNZHHVSB-UHFFFAOYSA-N 0 1 468.608 4.525 50 0 JJAAMN CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000013356674 521600548 /nfs/dbraw/zinc/60/05/48/521600548.db2.gz SLIDBUYETSMUKZ-UHFFFAOYSA-N 0 1 481.980 4.814 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036303898 521679299 /nfs/dbraw/zinc/67/92/99/521679299.db2.gz WEDLEBXYTBNDPK-HSZRJFAPSA-N 0 1 467.610 4.980 50 0 JJAAMN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000009297882 521753920 /nfs/dbraw/zinc/75/39/20/521753920.db2.gz MFVLGXIRZUBKPD-UHFFFAOYSA-N 0 1 458.561 4.513 50 0 JJAAMN COC(=O)c1c(NCCCN2CCN(c3cc(Cl)ccc3C)CC2)onc1-c1ccc(F)cc1 ZINC000046914456 521776077 /nfs/dbraw/zinc/77/60/77/521776077.db2.gz GIHAUDVTRQAGIS-UHFFFAOYSA-N 0 1 486.975 4.853 50 0 JJAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1cccc(F)c1 ZINC000014984197 521890875 /nfs/dbraw/zinc/89/08/75/521890875.db2.gz WOEQHQPPJYYPDG-UHFFFAOYSA-N 0 1 463.578 4.902 50 0 JJAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4Cl)CC3)c(C)o2)cc1OC ZINC000009731691 523201729 /nfs/dbraw/zinc/20/17/29/523201729.db2.gz IEWAXDIKUMUKLA-UHFFFAOYSA-N 0 1 483.996 4.849 50 0 JJAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000033170618 523437968 /nfs/dbraw/zinc/43/79/68/523437968.db2.gz KVBSMXNFZQOLMH-NTMALXAHSA-N 0 1 495.479 4.940 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000036305073 523734558 /nfs/dbraw/zinc/73/45/58/523734558.db2.gz AMQGMVLYXDASKB-QFIPXVFZSA-N 0 1 488.028 4.767 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)C ZINC000036304950 523735493 /nfs/dbraw/zinc/73/54/93/523735493.db2.gz UFNSEYAARKUABD-OAQYLSRUSA-N 0 1 488.028 4.767 50 0 JJAAMN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)cc1OC ZINC000004099414 523966229 /nfs/dbraw/zinc/96/62/29/523966229.db2.gz XKASPWGJHVQHDB-OAQYLSRUSA-N 0 1 498.023 4.892 50 0 JJAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096034 524014101 /nfs/dbraw/zinc/01/41/01/524014101.db2.gz YVBNSINDDSRMFD-JOCHJYFZSA-N 0 1 459.945 4.938 50 0 JJAAMN COc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)NCC(C)C)cc4c3)CC2)c(OC)c1C ZINC000014996461 524024372 /nfs/dbraw/zinc/02/43/72/524024372.db2.gz DVUXTEBIUATUIU-UHFFFAOYSA-N 0 1 480.605 4.628 50 0 JJAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000008606562 524187866 /nfs/dbraw/zinc/18/78/66/524187866.db2.gz KVSTYEGYDKMTBY-MHZLTWQESA-N 0 1 485.540 4.596 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CCSC)N[C@@]12C(=O)Nc1c2cccc1Cl ZINC000015973361 524238447 /nfs/dbraw/zinc/23/84/47/524238447.db2.gz RYEKETHKBNLDFV-LIEFOEBCSA-N 0 1 480.417 4.519 50 0 JJAAMN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)no2)c1 ZINC000033270844 524419025 /nfs/dbraw/zinc/41/90/25/524419025.db2.gz UYKBOUNHGLUGPU-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000016846272 524531357 /nfs/dbraw/zinc/53/13/57/524531357.db2.gz FLPAEUDFSCVEBH-HNNXBMFYSA-N 0 1 482.656 4.734 50 0 JJAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2Cl)c1C ZINC000016362149 524690256 /nfs/dbraw/zinc/69/02/56/524690256.db2.gz NWHZXMZRNDNRKE-UHFFFAOYSA-N 0 1 472.950 4.781 50 0 JJAAMN COc1ccccc1Oc1c(CN(C[C@H](O)COCC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305840 524695137 /nfs/dbraw/zinc/69/51/37/524695137.db2.gz SNZFXKRWAAJFDT-QHCPKHFHSA-N 0 1 479.621 4.886 50 0 JJAAMN Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036309459 524758439 /nfs/dbraw/zinc/75/84/39/524758439.db2.gz QJWASZDUTMMKQO-SHQCIBLASA-N 0 1 492.685 4.875 50 0 JJAAMN Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036309460 524765850 /nfs/dbraw/zinc/76/58/50/524765850.db2.gz QJWASZDUTMMKQO-SQHAQQRYSA-N 0 1 492.685 4.875 50 0 JJAAMN COc1ccc(OC)c(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c1 ZINC000014973669 524829208 /nfs/dbraw/zinc/82/92/08/524829208.db2.gz IUJJABXOEVGFMF-UHFFFAOYSA-N 0 1 489.616 4.537 50 0 JJAAMN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nc(-c3cccc(F)c3)n[nH]2)no1 ZINC000033270951 524893041 /nfs/dbraw/zinc/89/30/41/524893041.db2.gz FOKHYHAUULNWNC-UHFFFAOYSA-N 0 1 472.933 4.819 50 0 JJAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4cccc(F)c4)n[nH]3)no2)cc1Cl ZINC000033270944 525041740 /nfs/dbraw/zinc/04/17/40/525041740.db2.gz XDDRKKKTHKPAQM-UHFFFAOYSA-N 0 1 472.933 4.819 50 0 JJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000012465964 525440420 /nfs/dbraw/zinc/44/04/20/525440420.db2.gz VAGMOVAMBTYREN-MHZLTWQESA-N 0 1 485.540 4.596 50 0 JJAAMN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000010895647 525549796 /nfs/dbraw/zinc/54/97/96/525549796.db2.gz STIQUVDBLQWNAC-QGZVFWFLSA-N 0 1 451.379 4.668 50 0 JJAAMN Cc1c(Cl)cccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002913828 525751102 /nfs/dbraw/zinc/75/11/02/525751102.db2.gz FRLVQIANPSSNFS-UHFFFAOYSA-N 0 1 493.898 4.820 50 0 JJAAMN Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022798531 525784495 /nfs/dbraw/zinc/78/44/95/525784495.db2.gz WVHHPOGBJOENMP-QHCPKHFHSA-N 0 1 485.613 4.972 50 0 JJAAMN Cc1cnc(-n2ncc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000014989592 525965081 /nfs/dbraw/zinc/96/50/81/525965081.db2.gz FOPIKYIOQXRADI-QFIPXVFZSA-N 0 1 498.656 4.971 50 0 JJAAMN CSc1ccc(CNC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129399 525995289 /nfs/dbraw/zinc/99/52/89/525995289.db2.gz PCGLBFZEFVPQSY-UHFFFAOYSA-N 0 1 489.645 4.962 50 0 JJAAMN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCN(C5CCCC5)CC4)c3C3CC3)n2)c(C)s1 ZINC000014991920 526044227 /nfs/dbraw/zinc/04/42/27/526044227.db2.gz QQCRJLPWBWNBGS-UHFFFAOYSA-N 0 1 476.650 4.585 50 0 JJAAMN COc1cccc(C[C@H](C2CCN(C(=O)c3cc(CC(C)C)[nH]n3)CC2)N(C)C(=O)CC(C)C)c1 ZINC000012246261 526077488 /nfs/dbraw/zinc/07/74/88/526077488.db2.gz ZSUQNBOIRBDFIJ-AREMUKBSSA-N 0 1 482.669 4.585 50 0 JJAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000043727001 526144527 /nfs/dbraw/zinc/14/45/27/526144527.db2.gz ZFCHLXCDLKDYCG-WJQRCLFPSA-N 0 1 491.591 4.978 50 0 JJAAMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000040149612 526159783 /nfs/dbraw/zinc/15/97/83/526159783.db2.gz JCYNDXWYQXBITL-MRXNPFEDSA-N 0 1 481.394 4.675 50 0 JJAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147158 526284970 /nfs/dbraw/zinc/28/49/70/526284970.db2.gz FCLDFVNKIDREPH-UPVQGACJSA-N 0 1 454.954 4.506 50 0 JJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)cn2CC(=O)N2CCCCC2)n1 ZINC000033307628 526301154 /nfs/dbraw/zinc/30/11/54/526301154.db2.gz GAOLYGVCMFBXRP-UHFFFAOYSA-N 0 1 493.054 4.695 50 0 JJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(C(C)C)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307761 526301212 /nfs/dbraw/zinc/30/12/12/526301212.db2.gz DVLJNZPCNPPGKQ-UHFFFAOYSA-N 0 1 486.663 4.857 50 0 JJAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995503 526492399 /nfs/dbraw/zinc/49/23/99/526492399.db2.gz QQCVUALXUOEVOR-CVDCTZTESA-N 0 1 455.002 4.537 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1ccc(F)c(Cl)c1 ZINC000033270772 526650909 /nfs/dbraw/zinc/65/09/09/526650909.db2.gz MWGCFEJLNZJFBC-UHFFFAOYSA-N 0 1 458.906 4.511 50 0 JJAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3Cl)n[nH]2)no1)Nc1ccccc1F ZINC000033270837 526651401 /nfs/dbraw/zinc/65/14/01/526651401.db2.gz VDSBSVNYLFYMNC-UHFFFAOYSA-N 0 1 458.906 4.511 50 0 JJAAMN Cc1nonc1CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1cc(C)ccc1C ZINC000014979567 526701823 /nfs/dbraw/zinc/70/18/23/526701823.db2.gz BNKOBOQMVLPMSI-VWNXMTODSA-N 0 1 468.598 4.528 50 0 JJAAMN O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035488910 526729673 /nfs/dbraw/zinc/72/96/73/526729673.db2.gz GMFSZWFKYGVOPH-UWQCJCJPSA-N 0 1 486.955 4.977 50 0 JJAAMN OC(=COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611229 526987650 /nfs/dbraw/zinc/98/76/50/526987650.db2.gz HMQLEBMLSHLLTK-UHFFFAOYSA-N 0 1 453.296 4.632 50 0 JJAAMN Cc1nc(SCc2cccc(C(=O)NC(C)C)c2)nc(N2CCN(Cc3ccccc3)CC2)c1C ZINC000036062989 527021579 /nfs/dbraw/zinc/02/15/79/527021579.db2.gz ZVXJYMKGLIGEHQ-UHFFFAOYSA-N 0 1 489.689 4.846 50 0 JJAAMN Cc1nc([C@@H](C)NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c(C)s1 ZINC000012429966 527029254 /nfs/dbraw/zinc/02/92/54/527029254.db2.gz DMFQYRQSXUSKBA-QGZVFWFLSA-N 0 1 450.608 4.689 50 0 JJAAMN O=C(Cn1c2ccccc2nc1-c1cscn1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009467057 527360404 /nfs/dbraw/zinc/36/04/04/527360404.db2.gz DOFGABLLLGYJEP-UHFFFAOYSA-N 0 1 466.010 4.594 50 0 JJAAMN O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022573321 527657535 /nfs/dbraw/zinc/65/75/35/527657535.db2.gz NKGKYRZXXMKOJS-RHCLBKJASA-N 0 1 466.588 4.811 50 0 JJAAMN Brc1ccc(-c2n[nH]c(Sc3ncnc4c3cnn4-c3ccccc3)n2)cc1 ZINC000000834024 553791291 /nfs/dbraw/zinc/79/12/91/553791291.db2.gz LMZSDIOMXCPBCK-UHFFFAOYSA-N 0 1 450.325 4.514 50 0 JJAAMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cc2ccccc2o1 ZINC000001098942 553907247 /nfs/dbraw/zinc/90/72/47/553907247.db2.gz JBIIBFFUKFDELD-UHFFFAOYSA-N 0 1 470.142 4.790 50 0 JJAAMN Cc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)n2)s1 ZINC000001895816 554001130 /nfs/dbraw/zinc/00/11/30/554001130.db2.gz QGWICCGKZMCPQT-UHFFFAOYSA-N 0 1 472.621 4.835 50 0 JJAAMN CCOC(=O)[C@@]1(C)C(Br)C(=Nc2cccc(Br)c2)C(=O)N1c1ccccc1 ZINC000002210981 554094995 /nfs/dbraw/zinc/09/49/95/554094995.db2.gz LRIXGNOKEMINGV-HXUWFJFHSA-N 0 1 494.183 4.836 50 0 JJAAMN Cc1ccccc1-n1c(=O)c(C(=O)C[C@@H]2[NH2+]CCc3ccccc32)c([O-])n(-c2ccccc2)c1=S ZINC000002257973 554120185 /nfs/dbraw/zinc/12/01/85/554120185.db2.gz HEDNUQFIIPAZHQ-QFIPXVFZSA-N 0 1 483.593 4.832 50 0 JJAAMN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002314949 554145013 /nfs/dbraw/zinc/14/50/13/554145013.db2.gz YKVJJTZYVJOCKK-GOSISDBHSA-N 0 1 457.861 4.613 50 0 JJAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cccc(OC)c1OCc1ccccc1 ZINC000002874135 554397167 /nfs/dbraw/zinc/39/71/67/554397167.db2.gz IHUIRVDQVSQIFL-DEOSSOPVSA-N 0 1 458.514 4.603 50 0 JJAAMN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)cc1 ZINC000002973666 554414532 /nfs/dbraw/zinc/41/45/32/554414532.db2.gz VFRLSHFHBURGPH-UHFFFAOYSA-N 0 1 494.414 4.734 50 0 JJAAMN COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(C[NH+]3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000006182299 554515991 /nfs/dbraw/zinc/51/59/91/554515991.db2.gz CKGBVGARWOIDGL-HZPDHXFCSA-N 0 1 461.609 4.709 50 0 JJAAMN COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NCc2ccco2)cc1OC ZINC000006577517 554552993 /nfs/dbraw/zinc/55/29/93/554552993.db2.gz CMZOBFXRRRRFTC-UHFFFAOYSA-N 0 1 467.522 4.902 50 0 JJAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1 ZINC000008840694 554740048 /nfs/dbraw/zinc/74/00/48/554740048.db2.gz QXIHQQLLOLHUGK-UHFFFAOYSA-N 0 1 450.560 4.538 50 0 JJAAMN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000008848874 554746615 /nfs/dbraw/zinc/74/66/15/554746615.db2.gz JAVNNYVWZPSZEV-RUZDIDTESA-N 0 1 470.573 4.767 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccco3)n2)cc1 ZINC000008894783 554784310 /nfs/dbraw/zinc/78/43/10/554784310.db2.gz ZLKQBPKWULDBEG-OAQYLSRUSA-N 0 1 473.558 4.852 50 0 JJAAMN COc1cccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000008918565 554815333 /nfs/dbraw/zinc/81/53/33/554815333.db2.gz CDVMLGCSSQGNJR-UUROJUAVSA-N 0 1 478.548 4.648 50 0 biogenic JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)N3)C1 ZINC000008927665 554825193 /nfs/dbraw/zinc/82/51/93/554825193.db2.gz KVDFQQIZOKYZBV-JOCHJYFZSA-N 0 1 463.559 4.783 50 0 JJAAMN COc1ccc(CN(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)C2CC2)cc1 ZINC000008987278 554849905 /nfs/dbraw/zinc/84/99/05/554849905.db2.gz UGIUJENNJPOHLQ-UHFFFAOYSA-N 0 1 473.396 4.526 50 0 JJAAMN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)[nH]n2)c(O)c1C ZINC000009124149 554914977 /nfs/dbraw/zinc/91/49/77/554914977.db2.gz QUDWQJNCDCBEJI-UHFFFAOYSA-N 0 1 476.558 4.725 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009124050 554915008 /nfs/dbraw/zinc/91/50/08/554915008.db2.gz ZGAKFULHDTVLJB-SANMLTNESA-N 0 1 473.504 4.727 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)cc1Cl ZINC000009124567 554915926 /nfs/dbraw/zinc/91/59/26/554915926.db2.gz PXMLVMLYIPGABI-IBGZPJMESA-N 0 1 452.725 4.588 50 0 JJAAMN CN(C)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Br)cc2s1 ZINC000009151869 554939235 /nfs/dbraw/zinc/93/92/35/554939235.db2.gz WEQMPVARFANOPF-UHFFFAOYSA-N 0 1 461.410 4.877 50 0 JJAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152955 554941751 /nfs/dbraw/zinc/94/17/51/554941751.db2.gz GHZSIPRUMPCHMZ-UHFFFAOYSA-N 0 1 492.067 4.872 50 0 JJAAMN CC(C)CCN1c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009169310 554952949 /nfs/dbraw/zinc/95/29/49/554952949.db2.gz JSOSSTCLVNLXEQ-UHFFFAOYSA-N 0 1 450.988 4.939 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169449 554952953 /nfs/dbraw/zinc/95/29/53/554952953.db2.gz PXJFMBGQHMZSGC-UHFFFAOYSA-N 0 1 474.623 4.911 50 0 JJAAMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)N1CCCC1 ZINC000009336408 555103959 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453.564 4.810 50 0 JJAAMN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N ZINC000009447318 555220303 /nfs/dbraw/zinc/22/03/03/555220303.db2.gz NGRBHAHMHPLMHR-UHFFFAOYSA-N 0 1 467.986 4.557 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3nc2-c2cscn2)N2CCCCC2)cc1 ZINC000009466667 555242856 /nfs/dbraw/zinc/24/28/56/555242856.db2.gz KZOKCJXVWMPUIS-XMMPIXPASA-N 0 1 475.618 4.512 50 0 JJAAMN COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000009467653 555245261 /nfs/dbraw/zinc/24/52/61/555245261.db2.gz IRFUDPZEVFRARW-IBGZPJMESA-N 0 1 456.589 4.843 50 0 JJAAMN O=c1c2c[nH]nc2nc(SCc2cccc(Br)c2)n1-c1ccc(Br)cc1 ZINC000009495597 555280244 /nfs/dbraw/zinc/28/02/44/555280244.db2.gz LXAQRPFDEBYLHT-UHFFFAOYSA-N 0 1 492.196 4.926 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 ZINC000009500038 555284745 /nfs/dbraw/zinc/28/47/45/555284745.db2.gz OXIFEEBILBEHDA-UHFFFAOYSA-N 0 1 481.603 4.906 50 0 JJAAMN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)cc1 ZINC000009510592 555300080 /nfs/dbraw/zinc/30/00/80/555300080.db2.gz XUPLJKPXCKYIMK-CQSZACIVSA-N 0 1 482.013 4.947 50 0 JJAAMN Cc1ccc2nc3sc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc3cc2c1 ZINC000009528708 555322502 /nfs/dbraw/zinc/32/25/02/555322502.db2.gz WFMMXLRAQHQBPG-UHFFFAOYSA-N 0 1 462.594 4.839 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529525 555323730 /nfs/dbraw/zinc/32/37/30/555323730.db2.gz JZTZNBRRIUEOKA-UHFFFAOYSA-N 0 1 458.971 4.597 50 0 JJAAMN C[C@@H](NCc1cc(Br)ccc1OCC(=O)NCc1ccccc1)c1ccccc1 ZINC000013153141 555359494 /nfs/dbraw/zinc/35/94/94/555359494.db2.gz ILDGMUUMFPEELX-GOSISDBHSA-N 0 1 453.380 4.995 50 0 JJAAMN COc1ccc2cc3cc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)sc3nc2c1 ZINC000009561525 555359607 /nfs/dbraw/zinc/35/96/07/555359607.db2.gz ZKESKZPBZWNYPY-UHFFFAOYSA-N 0 1 478.593 4.539 50 0 JJAAMN Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000009660386 555364376 /nfs/dbraw/zinc/36/43/76/555364376.db2.gz PEPXUPNVFREQAZ-UHFFFAOYSA-N 0 1 459.350 4.583 50 0 JJAAMN CCOC(=O)C1CCN([C@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(OC)c2)CC1 ZINC000009594125 555409942 /nfs/dbraw/zinc/40/99/42/555409942.db2.gz YGMMAUFQOSGUSA-DEOSSOPVSA-N 0 1 470.635 4.958 50 0 JJAAMN Cc1c(Cl)cnc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1Cl ZINC000009607252 555433862 /nfs/dbraw/zinc/43/38/62/555433862.db2.gz GFMBGBRKPSZFPW-UHFFFAOYSA-N 0 1 473.183 4.975 50 0 JJAAMN CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1OCC ZINC000009714032 555442348 /nfs/dbraw/zinc/44/23/48/555442348.db2.gz SNJJJQSOWCPNSQ-UHFFFAOYSA-N 0 1 470.547 4.546 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccccc3OC)ccc2OC)cc1 ZINC000009613488 555449185 /nfs/dbraw/zinc/44/91/85/555449185.db2.gz WORDMMYRDXTWOA-UHFFFAOYSA-N 0 1 471.535 4.547 50 0 JJAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000013514078 555484824 /nfs/dbraw/zinc/48/48/24/555484824.db2.gz VGXXSSLSPZIDOU-XPWALMASSA-N 0 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Nc1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000019944440 555562733 /nfs/dbraw/zinc/56/27/33/555562733.db2.gz RZWVDWHSVLMVIF-UHFFFAOYSA-N 0 1 486.023 4.758 50 0 JJAAMN COc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCc1ccc(Br)cc1 ZINC000010059073 555608726 /nfs/dbraw/zinc/60/87/26/555608726.db2.gz UHZPJDUYGINEOT-OAQYLSRUSA-N 0 1 478.350 4.674 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000014066938 555675884 /nfs/dbraw/zinc/67/58/84/555675884.db2.gz KINCZZGAGAPGTG-OAQYLSRUSA-N 0 1 473.558 4.852 50 0 JJAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000014094510 555686803 /nfs/dbraw/zinc/68/68/03/555686803.db2.gz SRJFXOSQAZPGLA-OAHLLOKOSA-N 0 1 451.910 4.610 50 0 JJAAMN CCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000010381906 555702086 /nfs/dbraw/zinc/70/20/86/555702086.db2.gz TUDDSTIKUFSUCP-UHFFFAOYSA-N 0 1 468.579 4.716 50 0 JJAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 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OVZRQNBSILESDB-IBGZPJMESA-N 0 1 475.412 4.848 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000020329129 555775267 /nfs/dbraw/zinc/77/52/67/555775267.db2.gz WEALBOQGINFNOL-UHFFFAOYSA-N 0 1 456.612 4.804 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCc5ccccc5)cc4)c3=O)c2c1 ZINC000020331185 555776232 /nfs/dbraw/zinc/77/62/32/555776232.db2.gz JMRGNXQPVKGPPW-UHFFFAOYSA-N 0 1 470.554 4.527 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)Nc4cc(C)cc(C)c4)c3=O)c2c1 ZINC000020331306 555776567 /nfs/dbraw/zinc/77/65/67/555776567.db2.gz TWHDIUZVCIGRHU-UHFFFAOYSA-N 0 1 450.564 4.975 50 0 JJAAMN COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2nc4ccccc4s2)CC3)cc1 ZINC000014540574 555830828 /nfs/dbraw/zinc/83/08/28/555830828.db2.gz XQIUMHJPKNVEDY-UHFFFAOYSA-N 0 1 492.645 4.555 50 0 JJAAMN COc1cc(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1OC ZINC000015000463 555845155 /nfs/dbraw/zinc/84/51/55/555845155.db2.gz HAHFMPVKDDTNAC-HXUWFJFHSA-N 0 1 468.623 4.513 50 0 JJAAMN COc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)ccc1F ZINC000011874021 555847999 /nfs/dbraw/zinc/84/79/99/555847999.db2.gz UUFCAMJSCBSJFC-UHFFFAOYSA-N 0 1 450.558 4.829 50 0 JJAAMN Cc1c(CN2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)cnn1C ZINC000015004270 555849321 /nfs/dbraw/zinc/84/93/21/555849321.db2.gz VPYWOKQJMWGPLQ-HSZRJFAPSA-N 0 1 472.703 4.551 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)cc1 ZINC000011905216 555853409 /nfs/dbraw/zinc/85/34/09/555853409.db2.gz WNZKFQLFCQBVJH-NRFANRHFSA-N 0 1 470.367 4.680 50 0 JJAAMN COc1cccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2CN(C)C)c1OC ZINC000011909940 555857080 /nfs/dbraw/zinc/85/70/80/555857080.db2.gz MWTKJSLWDGGKDO-UHFFFAOYSA-N 0 1 491.613 4.737 50 0 JJAAMN COc1ccc([C@H](CC(=O)NC[C@H]2CCCO2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000012080496 555903334 /nfs/dbraw/zinc/90/33/34/555903334.db2.gz PHQYEMLNGICAEI-UXHICEINSA-N 0 1 472.998 4.652 50 0 JJAAMN Cn1c(Cc2ccccc2)nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022918447 555972336 /nfs/dbraw/zinc/97/23/36/555972336.db2.gz RVLLGVCEKVAYHL-UHFFFAOYSA-N 0 1 469.658 4.907 50 0 JJAAMN O=c1cc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2sc(C3CCCCC3)nn21 ZINC000015731928 555975687 /nfs/dbraw/zinc/97/56/87/555975687.db2.gz HGDSYBJDHOLACL-UHFFFAOYSA-N 0 1 459.000 4.930 50 0 JJAAMN O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000022925040 555977406 /nfs/dbraw/zinc/97/74/06/555977406.db2.gz GNESXQMYZWVQKE-DEOSSOPVSA-N 0 1 456.508 4.810 50 0 JJAAMN CC1(C)Cc2cccc(OC[C@@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2O1 ZINC000022927264 555978240 /nfs/dbraw/zinc/97/82/40/555978240.db2.gz LCQCZZFNKWBHQP-SANMLTNESA-N 0 1 472.629 4.547 50 0 JJAAMN CC1(C)Cc2cccc(OC[C@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2O1 ZINC000022927268 555978263 /nfs/dbraw/zinc/97/82/63/555978263.db2.gz LCQCZZFNKWBHQP-AREMUKBSSA-N 0 1 472.629 4.547 50 0 JJAAMN CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022927876 555978487 /nfs/dbraw/zinc/97/84/87/555978487.db2.gz QFLWEJLBFCDLDP-UHFFFAOYSA-N 0 1 491.657 4.833 50 0 JJAAMN COc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c32)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012521094 555992386 /nfs/dbraw/zinc/99/23/86/555992386.db2.gz QOKZJTPAIOWHBZ-UHFFFAOYSA-N 0 1 467.522 4.986 50 0 JJAAMN S=c1n(CN2CCN(Cc3ccccc3)CC2)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000022939634 555992569 /nfs/dbraw/zinc/99/25/69/555992569.db2.gz NCANPDRQHSWIJI-UHFFFAOYSA-N 0 1 499.640 4.633 50 0 JJAAMN CCN(CC)[C@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccco1 ZINC000012528410 555996906 /nfs/dbraw/zinc/99/69/06/555996906.db2.gz UNJANYTYFGPBTG-JOCHJYFZSA-N 0 1 493.608 4.958 50 0 JJAAMN CCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(Br)ccc3OCC)c2)nn1 ZINC000015785236 556004175 /nfs/dbraw/zinc/00/41/75/556004175.db2.gz CFUNTFYTPVCWQB-UHFFFAOYSA-N 0 1 492.395 4.894 50 0 JJAAMN Cc1oc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)nc1CN1CCC(C)CC1 ZINC000015785897 556005070 /nfs/dbraw/zinc/00/50/70/556005070.db2.gz JDORDILMSKJVJV-UHFFFAOYSA-N 0 1 458.606 4.844 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000012548517 556026890 /nfs/dbraw/zinc/02/68/90/556026890.db2.gz GBFAWJLDEAEMFZ-UHFFFAOYSA-N 0 1 495.582 4.784 50 0 JJAAMN COc1ccc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c(OC)c1 ZINC000015862020 556034483 /nfs/dbraw/zinc/03/44/83/556034483.db2.gz AMLPKUDBLYJBMA-UHFFFAOYSA-N 0 1 497.598 4.983 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)Cc4cccs4)cc3C)s2)cc1 ZINC000015862045 556034864 /nfs/dbraw/zinc/03/48/64/556034864.db2.gz MXXXMAUPWKVODT-UHFFFAOYSA-N 0 1 457.602 4.957 50 0 JJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000023253846 556035281 /nfs/dbraw/zinc/03/52/81/556035281.db2.gz JJDDYRDWGSUGMO-UHFFFAOYSA-N 0 1 464.407 4.795 50 0 JJAAMN COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000012556971 556043924 /nfs/dbraw/zinc/04/39/24/556043924.db2.gz POPPDIBRNYNOHK-UHFFFAOYSA-N 0 1 462.527 4.910 50 0 JJAAMN CSc1ccccc1NC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 ZINC000023361735 556049237 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1 476.583 4.750 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000015949613 556086533 /nfs/dbraw/zinc/08/65/33/556086533.db2.gz BZTYGMNEYAJRSJ-DTQAZKPQSA-N 0 1 474.582 4.825 50 0 JJAAMN CCCc1ccc([C@H](NCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C(C)C)cc1 ZINC000024830159 556157816 /nfs/dbraw/zinc/15/78/16/556157816.db2.gz OGFGNXHBKNHLJK-HHHXNRCGSA-N 0 1 498.693 4.517 50 0 JJAAMN O=C(COc1cccc(Oc2ccccn2)c1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000024836107 556159007 /nfs/dbraw/zinc/15/90/07/556159007.db2.gz YNVAJWLRYJYHPX-HSZRJFAPSA-N 0 1 451.954 4.859 50 0 JJAAMN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000024929202 556164415 /nfs/dbraw/zinc/16/44/15/556164415.db2.gz FVTYPZAFOQXJGZ-LJQANCHMSA-N 0 1 499.061 4.793 50 0 JJAAMN O=C(CSc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000025051097 556174526 /nfs/dbraw/zinc/17/45/26/556174526.db2.gz HUISWGPQGKIRIS-JOCHJYFZSA-N 0 1 463.578 4.561 50 0 JJAAMN 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CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC(C)(C)[NH2+]1 ZINC000029787868 556357337 /nfs/dbraw/zinc/35/73/37/556357337.db2.gz WWTAJAQTUJUIGH-UHFFFAOYSA-N 0 1 483.556 4.545 50 0 JJAAMN COc1ccc(Br)cc1CN(CCc1ccc2c(c1)OCO2)Cc1cccnc1 ZINC000019787663 556370018 /nfs/dbraw/zinc/37/00/18/556370018.db2.gz DCHRAUABAZUBDQ-UHFFFAOYSA-N 0 1 455.352 4.826 50 0 JJAAMN CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000019830686 556397623 /nfs/dbraw/zinc/39/76/23/556397623.db2.gz FYVSPGFEVWKOFT-NDEPHWFRSA-N 0 1 497.639 4.905 50 0 JJAAMN CC(C)(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000019831008 556398058 /nfs/dbraw/zinc/39/80/58/556398058.db2.gz LNIQSXWZDWWJTN-UHFFFAOYSA-N 0 1 498.092 4.804 50 0 JJAAMN Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)s1 ZINC000032531931 556444295 /nfs/dbraw/zinc/44/42/95/556444295.db2.gz DHFAWYLKVHOZAA-UHFFFAOYSA-N 0 1 456.998 4.620 50 0 JJAAMN Cc1ccccc1-n1c2nc(SCC(=O)NCc3ccccc3)[nH]c(=O)c2sc1=S ZINC000032948409 556563710 /nfs/dbraw/zinc/56/37/10/556563710.db2.gz ZYXVYVVBOJNAJT-UHFFFAOYSA-N 0 1 454.602 4.634 50 0 JJAAMN CC(=O)c1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948461 556564008 /nfs/dbraw/zinc/56/40/08/556564008.db2.gz XYUSWAYZVCFCNC-UHFFFAOYSA-N 0 1 482.612 4.747 50 0 JJAAMN Cc1cc(C)cc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032948548 556564308 /nfs/dbraw/zinc/56/43/08/556564308.db2.gz KJGAPNOKNDHJEV-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000032948594 556564345 /nfs/dbraw/zinc/56/43/45/556564345.db2.gz VGYBKIYPBVKMGZ-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN CCc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccccc3Br)n[nH]2)n1 ZINC000032957366 556570398 /nfs/dbraw/zinc/57/03/98/556570398.db2.gz SJBIGVKWUUAJBI-UHFFFAOYSA-N 0 1 483.399 4.600 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008595828 562944239 /nfs/dbraw/zinc/94/42/39/562944239.db2.gz 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CCn1c(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000032986421 569608881 /nfs/dbraw/zinc/60/88/81/569608881.db2.gz FVGAWRGZQVBUIE-SFHVURJKSA-N 0 1 490.460 4.755 50 0 JJAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1)C(=O)Nc1ccc(C)c(C)c1 ZINC000064579526 569620428 /nfs/dbraw/zinc/62/04/28/569620428.db2.gz BVEALZMOLABXQE-LJQANCHMSA-N 0 1 485.631 4.758 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3C)[nH]c2=O)cc1 ZINC000064591977 569622066 /nfs/dbraw/zinc/62/20/66/569622066.db2.gz GWMCKLFYLZTJMH-UHFFFAOYSA-N 0 1 485.631 4.705 50 0 JJAAMN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000034681703 569643461 /nfs/dbraw/zinc/64/34/61/569643461.db2.gz PGXRETXQSUGSLQ-UHFFFAOYSA-N 0 1 468.960 4.604 50 0 JJAAMN O=C(Nc1ccc(N2CCCN(Cc3ccccc3Cl)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681915 569643637 /nfs/dbraw/zinc/64/36/37/569643637.db2.gz ANWHIZGWYOZHGL-UHFFFAOYSA-N 0 1 456.924 4.978 50 0 JJAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3cc(OC)ccc3OC)CC2)c1 ZINC000034683126 569644299 /nfs/dbraw/zinc/64/42/99/569644299.db2.gz JXJSQLIAMNTLRP-UHFFFAOYSA-N 0 1 450.535 4.617 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1 ZINC000065096436 569660882 /nfs/dbraw/zinc/66/08/82/569660882.db2.gz CEQIVTKDMUURDY-UHFFFAOYSA-N 0 1 495.948 4.841 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)CCc3ccccc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831302 569664111 /nfs/dbraw/zinc/66/41/11/569664111.db2.gz RSJKDRZYHBHVMF-UHFFFAOYSA-N 0 1 491.655 4.832 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)C3CCCCC3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831231 569664218 /nfs/dbraw/zinc/66/42/18/569664218.db2.gz YGBFCNZHEZZLKC-UHFFFAOYSA-N 0 1 451.659 4.640 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)NC(C)(C)C ZINC000034832188 569664484 /nfs/dbraw/zinc/66/44/84/569664484.db2.gz JGENHXCFJGWARU-LJQANCHMSA-N 0 1 472.653 4.570 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)Nc3ccccc3C)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835869 569665116 /nfs/dbraw/zinc/66/51/16/569665116.db2.gz OONXFFCWVKYHNU-UHFFFAOYSA-N 0 1 490.627 4.967 50 0 JJAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccccc1OC ZINC000034836715 569665814 /nfs/dbraw/zinc/66/58/14/569665814.db2.gz WEDVFUVZKHNDGJ-UHFFFAOYSA-N 0 1 461.654 4.526 50 0 JJAAMN Cc1nc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)sc1C(=O)N1CCCCC1 ZINC000065117093 569667101 /nfs/dbraw/zinc/66/71/01/569667101.db2.gz GHNJIKLGDBPSCZ-UHFFFAOYSA-N 0 1 465.597 4.746 50 0 JJAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035372707 569683080 /nfs/dbraw/zinc/68/30/80/569683080.db2.gz VTGXBQYQOFLAKR-UHFFFAOYSA-N 0 1 458.990 4.783 50 0 JJAAMN Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(F)cc1 ZINC000035372831 569683247 /nfs/dbraw/zinc/68/32/47/569683247.db2.gz VZMWUEYAPPLSMS-UHFFFAOYSA-N 0 1 458.990 4.783 50 0 JJAAMN CCOc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372981 569683494 /nfs/dbraw/zinc/68/34/94/569683494.db2.gz KEIGLRCSDNDLDP-UHFFFAOYSA-N 0 1 468.598 4.610 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397194 569687952 /nfs/dbraw/zinc/68/79/52/569687952.db2.gz LGZGNRXMMWRXBV-UHFFFAOYSA-N 0 1 489.414 4.583 50 0 JJAAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN(Cc2ccccc2)Cc2ccccc2)C1C(=O)OC ZINC000067689708 569690070 /nfs/dbraw/zinc/69/00/70/569690070.db2.gz AUZBSLUTWHEOFS-HHHXNRCGSA-N 0 1 485.584 4.569 50 0 JJAAMN CCOc1ccccc1[C@@H]1NC(=O)N=C(CN(Cc2ccccc2)Cc2ccccc2)C1C(=O)OC ZINC000067689709 569690081 /nfs/dbraw/zinc/69/00/81/569690081.db2.gz AUZBSLUTWHEOFS-MHZLTWQESA-N 0 1 485.584 4.569 50 0 JJAAMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000068822143 569692353 /nfs/dbraw/zinc/69/23/53/569692353.db2.gz PNZLOFLJWDQBHN-HXUWFJFHSA-N 0 1 496.652 4.731 50 0 JJAAMN Cc1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)C2)c1 ZINC000035447465 569696180 /nfs/dbraw/zinc/69/61/80/569696180.db2.gz NYXMFYUREPWZLP-DEOSSOPVSA-N 0 1 468.041 4.529 50 0 JJAAMN CC(C)c1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCCC2)cc1 ZINC000035671572 569706251 /nfs/dbraw/zinc/70/62/51/569706251.db2.gz NBFFYZWUYAKIGL-GOSISDBHSA-N 0 1 468.648 4.853 50 0 JJAAMN Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000035807134 569711631 /nfs/dbraw/zinc/71/16/31/569711631.db2.gz NWZOJQQDEHLRJJ-FRGOEROOSA-N 0 1 491.591 4.626 50 0 JJAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2ccccc2)C(=O)N1Cc1cccc(Cl)c1 ZINC000035829472 569712912 /nfs/dbraw/zinc/71/29/12/569712912.db2.gz PSIYRZUTUYPOEZ-JLPGSUDCSA-N 0 1 484.943 4.915 50 0 JJAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2cccs2)C(=O)N1Cc1ccc(F)cc1F ZINC000035829520 569713082 /nfs/dbraw/zinc/71/30/82/569713082.db2.gz YKUZBMPNOQFYIX-XKZIYDEJSA-N 0 1 492.507 4.601 50 0 JJAAMN CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035836832 569713511 /nfs/dbraw/zinc/71/35/11/569713511.db2.gz LEGYVRJRWYTMGQ-ODLFYWEKSA-N 0 1 457.317 4.540 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000035869749 569718129 /nfs/dbraw/zinc/71/81/29/569718129.db2.gz JNOZEOYPSPQZGZ-AHWVRZQESA-N 0 1 479.546 4.885 50 0 JJAAMN COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c43)c(=O)c2c1 ZINC000096115990 569735032 /nfs/dbraw/zinc/73/50/32/569735032.db2.gz SJAYSISSMATSJC-INIZCTEOSA-N 0 1 482.444 4.722 50 0 biogenic JJAAMN CCOC(=O)c1c(NC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000096594158 569742394 /nfs/dbraw/zinc/74/23/94/569742394.db2.gz YTPHKAQFKSDWHJ-MRXNPFEDSA-N 0 1 498.523 4.561 50 0 JJAAMN O=C1C(=Cc2cc(Br)cc(Br)c2O)NC(=S)N1c1ccc(Cl)cc1 ZINC000100290639 569756797 /nfs/dbraw/zinc/75/67/97/569756797.db2.gz HFVBKPAODCUXGV-MLPAPPSSSA-N 0 1 488.588 4.833 50 0 JJAAMN CCCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313944 569761629 /nfs/dbraw/zinc/76/16/29/569761629.db2.gz YYCLNHPXEHMKHG-JOCHJYFZSA-N 0 1 467.610 4.888 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316182 569762317 /nfs/dbraw/zinc/76/23/17/569762317.db2.gz NAAAXKDGLFLZIZ-OAQYLSRUSA-N 0 1 453.558 4.769 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC ZINC000036316437 569763107 /nfs/dbraw/zinc/76/31/07/569763107.db2.gz HHUZUOJALFLVBB-JOCHJYFZSA-N 0 1 467.610 4.845 50 0 JJAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1 ZINC000036340455 569763963 /nfs/dbraw/zinc/76/39/63/569763963.db2.gz QQMCGYGLTKFSAU-NDEPHWFRSA-N 0 1 478.640 4.768 50 0 JJAAMN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101211839 569787204 /nfs/dbraw/zinc/78/72/04/569787204.db2.gz GSABNNPPGFSLPR-GVAUOCQISA-N 0 1 458.514 4.535 50 0 JJAAMN COc1ccc(CN2CCC(N(c3cccc(OC)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037572230 569795917 /nfs/dbraw/zinc/79/59/17/569795917.db2.gz GDSDYENJWRGYHO-UHFFFAOYSA-N 0 1 480.630 4.872 50 0 JJAAMN CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546552 569803249 /nfs/dbraw/zinc/80/32/49/569803249.db2.gz JXSYCTXUTZSNGJ-DEOSSOPVSA-N 0 1 483.634 4.900 50 0 JJAAMN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546527 569803290 /nfs/dbraw/zinc/80/32/90/569803290.db2.gz AFHOHCVEFMKAPM-HSZRJFAPSA-N 0 1 453.608 4.891 50 0 JJAAMN Cc1cc(C)cc(-n2c(O)c(C3=Nc4ccccc4S[C@@H](c4cccc(O)c4)C3)c(=O)[nH]c2=O)c1 ZINC000101766839 569805026 /nfs/dbraw/zinc/80/50/26/569805026.db2.gz GNDHZTYLQINGJF-HSZRJFAPSA-N 0 1 485.565 4.912 50 0 JJAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000040115215 569816305 /nfs/dbraw/zinc/81/63/05/569816305.db2.gz RSLKMQLIAZVHQU-HXUWFJFHSA-N 0 1 464.465 4.777 50 0 JJAAMN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc54)[C@@H]3C2=O)cc1 ZINC000102707650 569816897 /nfs/dbraw/zinc/81/68/97/569816897.db2.gz JUSZSBMTAKZIPZ-KKUQBAQOSA-N 0 1 450.494 4.900 50 0 JJAAMN CC(C)(NCC(=O)Nc1ccccc1I)c1ccc(Br)cc1 ZINC000040149543 569819259 /nfs/dbraw/zinc/81/92/59/569819259.db2.gz DCAWECAZDRKUKY-UHFFFAOYSA-N 0 1 473.152 4.517 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102759151 569821469 /nfs/dbraw/zinc/82/14/69/569821469.db2.gz ROGZTUDBUVLFII-UBFVSLLYSA-N 0 1 476.504 4.674 50 0 JJAAMN O=C(C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000040157743 569821847 /nfs/dbraw/zinc/82/18/47/569821847.db2.gz NNNGKJZJULDQLF-KPKJPENVSA-N 0 1 488.525 4.546 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000102764166 569822672 /nfs/dbraw/zinc/82/26/72/569822672.db2.gz BVVWUAPNOGNLQI-DNVJHFABSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3cc(OC)cc(OC)c3)CC2)c1 ZINC000040414755 569827955 /nfs/dbraw/zinc/82/79/55/569827955.db2.gz GJZAMYSUCIAWMU-UHFFFAOYSA-N 0 1 450.535 4.617 50 0 JJAAMN CCc1cccc(CC)c1NS(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O ZINC000040450669 569828749 /nfs/dbraw/zinc/82/87/49/569828749.db2.gz SSCVOCCGJCAIAF-ZDUSSCGKSA-N 0 1 465.413 4.672 50 0 JJAAMN CCc1cccc(CC)c1NS(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O ZINC000040450670 569828932 /nfs/dbraw/zinc/82/89/32/569828932.db2.gz SSCVOCCGJCAIAF-CYBMUJFWSA-N 0 1 465.413 4.672 50 0 JJAAMN CCCC(=O)OC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983607 569848226 /nfs/dbraw/zinc/84/82/26/569848226.db2.gz OBJCWMGQDYCHLO-VQTJNVASSA-N 0 1 479.404 4.693 50 0 JJAAMN C[C@@H]1CCc2c(sc3nc(CN(C[C@@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000169679141 569869540 /nfs/dbraw/zinc/86/95/40/569869540.db2.gz XMOWRIKPWSDFRI-DENIHFKCSA-N 0 1 495.689 4.822 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000169679379 569869788 /nfs/dbraw/zinc/86/97/88/569869788.db2.gz PVTOUNJWNJSZKA-VWNXMTODSA-N 0 1 472.944 4.645 50 0 JJAAMN Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000169680134 569870267 /nfs/dbraw/zinc/87/02/67/569870267.db2.gz QJWASZDUTMMKQO-RPLLCQBOSA-N 0 1 492.685 4.875 50 0 JJAAMN Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000229656428 570040943 /nfs/dbraw/zinc/04/09/43/570040943.db2.gz NWZOJQQDEHLRJJ-WWPKSBKISA-N 0 1 491.591 4.626 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N12 ZINC000229899160 570041989 /nfs/dbraw/zinc/04/19/89/570041989.db2.gz OOBUXIVCQHBQNR-OSSDZZHWSA-N 0 1 466.512 4.778 50 0 JJAAMN CCCCN(CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230075930 570044406 /nfs/dbraw/zinc/04/44/06/570044406.db2.gz XBGKNLSIKIWAAN-RPWUZVMVSA-N 0 1 465.619 4.670 50 0 JJAAMN Cc1ccc(CN2CCCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)CC2)cc1 ZINC000230129067 570045421 /nfs/dbraw/zinc/04/54/21/570045421.db2.gz QNPWPIURSIXVIU-DNQXCXABSA-N 0 1 477.649 4.511 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000230138060 570045934 /nfs/dbraw/zinc/04/59/34/570045934.db2.gz BJBXHKUAPONEOC-RSXGOPAZSA-N 0 1 496.076 4.632 50 0 JJAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000230156910 570046087 /nfs/dbraw/zinc/04/60/87/570046087.db2.gz BEGNDCGQVPUYOS-XCZPVHLTSA-N 0 1 471.004 4.996 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000239274843 570049918 /nfs/dbraw/zinc/04/99/18/570049918.db2.gz ASXVFWBECPQAOH-BDTNDASRSA-N 0 1 452.869 4.539 50 0 JJAAMN Cc1ccc(Oc2c(CN(C[C@@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245279026 570061264 /nfs/dbraw/zinc/06/12/64/570061264.db2.gz AVPVLOZXCKHZIA-AOYPEHQESA-N 0 1 493.648 4.955 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245280753 570061964 /nfs/dbraw/zinc/06/19/64/570061964.db2.gz RSYVSFBVHDATSC-ILBGXUMGSA-N 0 1 479.621 4.646 50 0 JJAAMN COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c1 ZINC000245311357 570063522 /nfs/dbraw/zinc/06/35/22/570063522.db2.gz NXNRZMZYTUWXGY-TWJOJJKGSA-N 0 1 450.494 4.900 50 0 JJAAMN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@H]3C2=O)c1 ZINC000245311357 570063523 /nfs/dbraw/zinc/06/35/23/570063523.db2.gz NXNRZMZYTUWXGY-TWJOJJKGSA-N 0 1 450.494 4.900 50 0 JJAAMN CCCN(CCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000247886509 570070536 /nfs/dbraw/zinc/07/05/36/570070536.db2.gz KXVDYRSYRZTVIP-QHCPKHFHSA-N 0 1 462.638 4.954 50 0 JJAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000247985823 570072060 /nfs/dbraw/zinc/07/20/60/570072060.db2.gz INVFYEJRKXCUNN-NRFANRHFSA-N 0 1 480.056 4.831 50 0 JJAAMN CC(C)NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988556 570072202 /nfs/dbraw/zinc/07/22/02/570072202.db2.gz JTMQYPCKIRZJKZ-QGZVFWFLSA-N 0 1 455.400 4.525 50 0 JJAAMN CC(C)N(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248006189 570072668 /nfs/dbraw/zinc/07/26/68/570072668.db2.gz ONFMMFXCNUDMJG-SFHVURJKSA-N 0 1 469.427 4.867 50 0 JJAAMN C[C@@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@]21C(=O)NC(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000248111587 570074151 /nfs/dbraw/zinc/07/41/51/570074151.db2.gz SPJVHAQEQMRTBO-CLYCUISWSA-N 0 1 472.372 4.670 50 0 JJAAMN COc1cc(/C=C/CN2CCC[C@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)ccc1O ZINC000252448885 570080938 /nfs/dbraw/zinc/08/09/38/570080938.db2.gz LLNZFEFBTAHAOJ-GVOZXERRSA-N 0 1 455.624 4.663 50 0 JJAAMN Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccc(OC(=O)c3ccccc3)cc2[nH]1 ZINC000252500728 570082296 /nfs/dbraw/zinc/08/22/96/570082296.db2.gz TUQOVIQWXYUYDT-UUWRZZSWSA-N 0 1 489.475 4.734 50 0 JJAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc(OC)c1O ZINC000253414659 570098707 /nfs/dbraw/zinc/09/87/07/570098707.db2.gz YCZZFMHHDJOBOZ-HNNXBMFYSA-N 0 1 494.883 4.983 50 0 JJAAMN COc1cc([C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(O)cc(C)oc2=O)cc2c1OCO2 ZINC000253471183 570099269 /nfs/dbraw/zinc/09/92/69/570099269.db2.gz NLPAANRGXUCLTE-MRXNPFEDSA-N 0 1 491.418 4.571 50 0 JJAAMN COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc4ccccc43)C[C@@H]2CCC(=O)[O-])CC1 ZINC000299775222 570176140 /nfs/dbraw/zinc/17/61/40/570176140.db2.gz HLBRFKJOOSPJMA-AHKZPQOWSA-N 0 1 487.644 4.726 50 0 JJAAMN CC1=NC(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCc1ccc2c(c1)OCO2 ZINC000000861175 193930226 /nfs/dbraw/zinc/93/02/26/193930226.db2.gz CGGKDCONHFXQRO-XMMPIXPASA-N 0 1 458.470 4.579 50 0 JJAAMN O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2O)C1=O)Nc1ccccc1F ZINC000001011462 194002956 /nfs/dbraw/zinc/00/29/56/194002956.db2.gz CKLGFWLDCKWTBE-NSIKDUERSA-N 0 1 485.718 4.622 50 0 JJAAMN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000001076880 194018518 /nfs/dbraw/zinc/01/85/18/194018518.db2.gz OKPFKAKSFJZSKP-UHFFFAOYSA-N 0 1 472.950 4.878 50 0 JJAAMN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000001111018 194027555 /nfs/dbraw/zinc/02/75/55/194027555.db2.gz DCVVXFWBTCZIRH-UHFFFAOYSA-N 0 1 458.923 4.570 50 0 JJAAMN COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000001079287 194019694 /nfs/dbraw/zinc/01/96/94/194019694.db2.gz UMBXSACJCWHRGS-UHFFFAOYSA-N 0 1 458.967 4.696 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c(OC)c1 ZINC000001128877 194038004 /nfs/dbraw/zinc/03/80/04/194038004.db2.gz UCMKMBTUGXIGPL-UHFFFAOYSA-N 0 1 486.615 4.934 50 0 JJAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)cc1 ZINC000001136153 194042125 /nfs/dbraw/zinc/04/21/25/194042125.db2.gz IGNILOJIMSHDSI-UHFFFAOYSA-N 0 1 473.348 4.705 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)cc1 ZINC000001136411 194042269 /nfs/dbraw/zinc/04/22/69/194042269.db2.gz GVJAQGYZLHKCSW-UHFFFAOYSA-N 0 1 475.364 4.901 50 0 JJAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000001150836 194050331 /nfs/dbraw/zinc/05/03/31/194050331.db2.gz OSFCHHCKVNAZDI-UHFFFAOYSA-N 0 1 456.589 4.844 50 0 JJAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCCCCC1 ZINC000002973628 194189861 /nfs/dbraw/zinc/18/98/61/194189861.db2.gz JNXITSDWQBGLCS-UHFFFAOYSA-N 0 1 472.408 4.512 50 0 JJAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCc2ccccc2C1 ZINC000002973904 194190011 /nfs/dbraw/zinc/19/00/11/194190011.db2.gz XQYGWUPFZXUJJU-UHFFFAOYSA-N 0 1 486.435 4.593 50 0 JJAAMN COc1ccccc1CC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000003457621 194330103 /nfs/dbraw/zinc/33/01/03/194330103.db2.gz AUXWDPNDPPUQNN-UHFFFAOYSA-N 0 1 495.384 4.993 50 0 JJAAMN COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000004110650 194379372 /nfs/dbraw/zinc/37/93/72/194379372.db2.gz CRSOWHHHORJQCN-UHFFFAOYSA-N 0 1 453.970 4.840 50 0 JJAAMN O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000004210508 194384575 /nfs/dbraw/zinc/38/45/75/194384575.db2.gz ZFWPAWJNAALZPS-UHFFFAOYSA-N 0 1 479.587 4.988 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172690 194579862 /nfs/dbraw/zinc/57/98/62/194579862.db2.gz KMTZWEZRAHNBBO-UHFFFAOYSA-N 0 1 460.596 4.520 50 0 JJAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1OC ZINC000009184764 194581896 /nfs/dbraw/zinc/58/18/96/194581896.db2.gz FCAVMPTVECRYGR-SANMLTNESA-N 0 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CCOc1cc2c(cc1NC(=O)CCCCCn1c(=O)c3ccccc3[nH]c1=S)O[C@H](C)C2 ZINC000012638828 195069130 /nfs/dbraw/zinc/06/91/30/195069130.db2.gz HNHPWBYUKWKGHJ-MRXNPFEDSA-N 0 1 467.591 4.980 50 0 JJAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000012742663 195101418 /nfs/dbraw/zinc/10/14/18/195101418.db2.gz QJYBRIKPRLTKIV-UHFFFAOYSA-N 0 1 487.025 4.875 50 0 JJAAMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)cc1F ZINC000012760951 195110710 /nfs/dbraw/zinc/11/07/10/195110710.db2.gz APRHQCQAAPRTIJ-RUZDIDTESA-N 0 1 481.593 4.502 50 0 JJAAMN COc1ccc(CN(CC(=O)NCc2ccc(OC)c(OC)c2)[C@H](C)Cc2cccs2)cc1 ZINC000012768194 195115748 /nfs/dbraw/zinc/11/57/48/195115748.db2.gz XTIPOXSCHQGXIH-LJQANCHMSA-N 0 1 468.619 4.524 50 0 JJAAMN COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)N1CCCC1 ZINC000012801429 195139367 /nfs/dbraw/zinc/13/93/67/195139367.db2.gz FSCMVUFEMZIDSB-FYYLOGMGSA-N 0 1 492.447 4.710 50 0 JJAAMN COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)N2CCCC2)c1 ZINC000012807334 195142343 /nfs/dbraw/zinc/14/23/43/195142343.db2.gz BYIGIVOUTMVPLL-PKTZIBPZSA-N 0 1 492.447 4.710 50 0 JJAAMN c1ccc(SCc2nc3sc4c(c3c(NC[C@H]([C@H]3CCOC3)N3CCOCC3)n2)CCC4)cc1 ZINC000012894238 195174724 /nfs/dbraw/zinc/17/47/24/195174724.db2.gz AWXMUJFNNCJKCY-GHTZIAJQSA-N 0 1 496.702 4.622 50 0 JJAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000020904345 195244076 /nfs/dbraw/zinc/24/40/76/195244076.db2.gz FOCFZJIGBFDPMI-SVBPBHIXSA-N 0 1 487.669 4.859 50 0 JJAAMN COc1ccccc1O[C@H](CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000096281672 130028471 /nfs/dbraw/zinc/02/84/71/130028471.db2.gz LCVUYTWCEYBMGK-XMMPIXPASA-N 0 1 478.564 4.891 50 0 JJAAMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(C)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000064802052 430308098 /nfs/dbraw/zinc/30/80/98/430308098.db2.gz OIXUSRXXCKAFQY-UHFFFAOYSA-N 0 1 456.572 4.679 50 0 JJAAMN CC(C)CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)Cc1ccccc1 ZINC000036161466 519652802 /nfs/dbraw/zinc/65/28/02/519652802.db2.gz LYGLZGJXFZAWCO-AZUAARDMSA-N 0 1 453.652 4.561 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146136 519773743 /nfs/dbraw/zinc/77/37/43/519773743.db2.gz QHKWLNBGJNTFPS-YADHBBJMSA-N 0 1 468.491 4.626 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308295 519773924 /nfs/dbraw/zinc/77/39/24/519773924.db2.gz RSYVSFBVHDATSC-NOZRDPDXSA-N 0 1 479.621 4.646 50 0 JJAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146376 519881446 /nfs/dbraw/zinc/88/14/46/519881446.db2.gz CUZFNRYZTOZFNS-UXHICEINSA-N 0 1 497.394 4.832 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302323 520095942 /nfs/dbraw/zinc/09/59/42/520095942.db2.gz QWGHOGGOZYVWJD-QHCPKHFHSA-N 0 1 465.594 4.591 50 0 JJAAMN CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2[n-]c(-c3ccc(Cl)cc3)cc2n1 ZINC000033126288 521684261 /nfs/dbraw/zinc/68/42/61/521684261.db2.gz LXNDNWYALBSYQQ-UHFFFAOYSA-N 0 1 466.969 4.772 50 0 JJAAMN COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c(OC)c1 ZINC000033299223 522531311 /nfs/dbraw/zinc/53/13/11/522531311.db2.gz WMLWEGSBMKVETM-UHFFFAOYSA-N 0 1 468.862 4.893 50 0 JJAAMN CC[C@H](NCc1cnc(SC)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023334772 522664180 /nfs/dbraw/zinc/66/41/80/522664180.db2.gz MZLDJGHHYXMOPZ-QHCPKHFHSA-N 0 1 451.615 4.905 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 ZINC000065116158 522902886 /nfs/dbraw/zinc/90/28/86/522902886.db2.gz OROXJTGNNGWYTK-UHFFFAOYSA-N 0 1 463.943 4.634 50 0 JJAAMN COCc1ccc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)o1 ZINC000014961443 522971154 /nfs/dbraw/zinc/97/11/54/522971154.db2.gz HXQFTPRBCCHCKO-QHCPKHFHSA-N 0 1 496.677 4.911 50 0 JJAAMN COc1cc2c(c(OCc3ccccc3)c1OC)CCN(C)[C@@H]2Cc1ccc(OC(C)=O)cc1 ZINC000004566002 522993429 /nfs/dbraw/zinc/99/34/29/522993429.db2.gz OETZPYPBIYXPFK-RUZDIDTESA-N 0 1 461.558 4.980 50 0 JJAAMN COc1ccc(-c2csc3[nH]c(CN(CC(C)C)C[C@@H](O)Cc4ccccc4)nc(=O)c23)cc1 ZINC000036206271 523172498 /nfs/dbraw/zinc/17/24/98/523172498.db2.gz PQAVMHNMGWIILN-NRFANRHFSA-N 0 1 477.630 4.722 50 0 JJAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)c(C)cc3O)c2[C@H]1c1cccc(Br)c1 ZINC000016474243 523292281 /nfs/dbraw/zinc/29/22/81/523292281.db2.gz QVYRSVFGPGHECI-JOCHJYFZSA-N 0 1 470.367 4.743 50 0 JJAAMN COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2Cl)cc1 ZINC000005940991 523397688 /nfs/dbraw/zinc/39/76/88/523397688.db2.gz LRDHRLUPWRGEHY-NTEUORMPSA-N 0 1 472.950 4.810 50 0 JJAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000033170652 523439225 /nfs/dbraw/zinc/43/92/25/523439225.db2.gz QRXPKFKARBKWBR-LUAWRHEFSA-N 0 1 455.536 4.538 50 0 JJAAMN CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000033122315 523715057 /nfs/dbraw/zinc/71/50/57/523715057.db2.gz DJNUCPXIQCNAPW-UHFFFAOYSA-N 0 1 459.984 4.601 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036306936 523735200 /nfs/dbraw/zinc/73/52/00/523735200.db2.gz NASHMIUUJAINTQ-QHCPKHFHSA-N 0 1 485.600 4.500 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036306025 523735594 /nfs/dbraw/zinc/73/55/94/523735594.db2.gz XWOGRYPRKUYWSS-JOCHJYFZSA-N 0 1 497.636 4.512 50 0 JJAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014777613 523926188 /nfs/dbraw/zinc/92/61/88/523926188.db2.gz IMBWFWCHHKTTSH-UHFFFAOYSA-N 0 1 459.377 4.972 50 0 JJAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000008606561 524136629 /nfs/dbraw/zinc/13/66/29/524136629.db2.gz KVSTYEGYDKMTBY-HHHXNRCGSA-N 0 1 485.540 4.596 50 0 JJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1 ZINC000045941203 524195537 /nfs/dbraw/zinc/19/55/37/524195537.db2.gz RIPDXEWZLBZKJR-UHFFFAOYSA-N 0 1 471.579 4.585 50 0 JJAAMN Cc1cccc(CN2CCC(c3nnc(SCc4ccc(F)cc4)n3C[C@H]3CCCO3)CC2)n1 ZINC000012456553 524388829 /nfs/dbraw/zinc/38/88/29/524388829.db2.gz RVGQDKYSWDTFFA-XMMPIXPASA-N 0 1 481.641 4.972 50 0 JJAAMN Cc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[n-]c(=O)c3C2)cc1 ZINC000020467779 524475804 /nfs/dbraw/zinc/47/58/04/524475804.db2.gz JKJHKDBTQIGWGA-UHFFFAOYSA-N 0 1 469.010 4.742 50 0 JJAAMN Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[n-]c(=O)c3C2)cc1 ZINC000020467779 524475808 /nfs/dbraw/zinc/47/58/08/524475808.db2.gz JKJHKDBTQIGWGA-UHFFFAOYSA-N 0 1 469.010 4.742 50 0 JJAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912740 524504941 /nfs/dbraw/zinc/50/49/41/524504941.db2.gz ONTFBFTZAVEEOI-UHFFFAOYSA-N 0 1 478.662 4.988 50 0 JJAAMN Cc1ccc(CNC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129367 524513169 /nfs/dbraw/zinc/51/31/69/524513169.db2.gz CXNNPPUDQDRJIT-UHFFFAOYSA-N 0 1 457.578 4.548 50 0 JJAAMN COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000005941260 524623052 /nfs/dbraw/zinc/62/30/52/524623052.db2.gz QBEHLLIFOGTJQD-UHFFFAOYSA-N 0 1 497.317 4.789 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1C ZINC000022695082 524641056 /nfs/dbraw/zinc/64/10/56/524641056.db2.gz AXNSPZQTBKYBCJ-UHFFFAOYSA-N 0 1 476.558 4.617 50 0 JJAAMN COc1ccccc1Oc1c(CN(C[C@H](O)COC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301982 524694453 /nfs/dbraw/zinc/69/44/53/524694453.db2.gz QKRGENKECUPXEP-QHCPKHFHSA-N 0 1 467.610 4.978 50 0 JJAAMN C[C@@H]1CCc2c(sc3nc(CN(C[C@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000036161361 524726028 /nfs/dbraw/zinc/72/60/28/524726028.db2.gz XMOWRIKPWSDFRI-KNQAVFIVSA-N 0 1 495.689 4.822 50 0 JJAAMN Cc1cccc(Oc2c(CN(C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036306506 524784868 /nfs/dbraw/zinc/78/48/68/524784868.db2.gz XWOOFBOABZCMQQ-AHWVRZQESA-N 0 1 493.648 4.955 50 0 JJAAMN Cc1ccccc1-c1n[nH]c(SCc2noc(CCC(=O)Nc3cccc(Br)c3)n2)n1 ZINC000033270938 525008207 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ZINC000013752273 555610203 /nfs/dbraw/zinc/61/02/03/555610203.db2.gz FXRVZIUSXVMWPB-BDTNDASRSA-N 0 1 485.323 4.759 50 0 JJAAMN CCOC(=O)[C@@](Nc1ccccc1Cl)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000013757115 555611248 /nfs/dbraw/zinc/61/12/48/555611248.db2.gz NIQAFNSCKJJPDN-PXNSSMCTSA-N 0 1 453.848 4.655 50 0 JJAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013769645 555614026 /nfs/dbraw/zinc/61/40/26/555614026.db2.gz ZBBNWERRMZMRTL-VSKRKVRLSA-N 0 1 463.331 4.809 50 0 JJAAMN CN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107701 555641878 /nfs/dbraw/zinc/64/18/78/555641878.db2.gz YLXCJNUZJGTIDE-UHFFFAOYSA-N 0 1 464.635 4.908 50 0 JJAAMN Cc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2o/c1=N\O ZINC000013940793 555651749 /nfs/dbraw/zinc/65/17/49/555651749.db2.gz QCSIDPCMVFIKMW-FXBPSFAMSA-N 0 1 452.102 4.808 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCCC2)cc1 ZINC000014079266 555681073 /nfs/dbraw/zinc/68/10/73/555681073.db2.gz 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COc1cccc([C@@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)N2CCCC2)c1 ZINC000011563440 555787546 /nfs/dbraw/zinc/78/75/46/555787546.db2.gz FLXVHRWLGDYPCH-RUZDIDTESA-N 0 1 468.557 4.979 50 0 JJAAMN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cnc(N(C)C)s4)C3)cc2)c1 ZINC000011662042 555794581 /nfs/dbraw/zinc/79/45/81/555794581.db2.gz UREGFVWYXNOKMA-FQEVSTJZSA-N 0 1 450.608 4.735 50 0 JJAAMN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cnc(N(C)C)s4)C3)cc2)c1 ZINC000011662043 555794744 /nfs/dbraw/zinc/79/47/44/555794744.db2.gz UREGFVWYXNOKMA-HXUWFJFHSA-N 0 1 450.608 4.735 50 0 JJAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020532751 555803607 /nfs/dbraw/zinc/80/36/07/555803607.db2.gz ULMHSDMNNWGZSX-UHFFFAOYSA-N 0 1 455.845 4.807 50 0 JJAAMN CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1cc(F)ccc1F)CC2 ZINC000011782799 555813678 /nfs/dbraw/zinc/81/36/78/555813678.db2.gz NPCRAUCPGIIMJT-FTJBHMTQSA-N 0 1 482.596 4.989 50 0 JJAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1nc2ccccc2[nH]1 ZINC000011785092 555816916 /nfs/dbraw/zinc/81/69/16/555816916.db2.gz FMABULRZJPERLR-UHFFFAOYSA-N 0 1 471.586 4.596 50 0 JJAAMN COc1ccccc1-n1cc(CN2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cn1 ZINC000015000592 555845360 /nfs/dbraw/zinc/84/53/60/555845360.db2.gz JREHEUIYLUCZQT-VXKWHMMOSA-N 0 1 479.650 4.630 50 0 JJAAMN Cc1csc(CN(C)[C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)n1 ZINC000015000998 555845868 /nfs/dbraw/zinc/84/58/68/555845868.db2.gz GHJPJWRZVONYTF-SFHVURJKSA-N 0 1 468.623 4.594 50 0 JJAAMN O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039057 555865526 /nfs/dbraw/zinc/86/55/26/555865526.db2.gz DIFYWVGMEXSQHY-LMSSTIIKSA-N 0 1 456.630 4.849 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000011918070 555869067 /nfs/dbraw/zinc/86/90/67/555869067.db2.gz LJPXZZOTNGWADA-UHFFFAOYSA-N 0 1 480.542 4.790 50 0 JJAAMN O=C(c1cccnc1)[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc4[nH]ccc4c2)CCO3)C1 ZINC000012078429 555902495 /nfs/dbraw/zinc/90/24/95/555902495.db2.gz KSWQTPZSJONFPM-VWLOTQADSA-N 0 1 494.595 4.693 50 0 JJAAMN CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CCN(Cc4ccccc4F)CC3)ccc2o1 ZINC000012152611 555926608 /nfs/dbraw/zinc/92/66/08/555926608.db2.gz AGQDTQDZWMSCEQ-UHFFFAOYSA-N 0 1 487.575 4.765 50 0 JJAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000022666437 555942274 /nfs/dbraw/zinc/94/22/74/555942274.db2.gz KCCTZWLHQYZWIN-UHFFFAOYSA-N 0 1 450.560 4.651 50 0 JJAAMN CN(C)[C@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(F)c1 ZINC000022756081 555954405 /nfs/dbraw/zinc/95/44/05/555954405.db2.gz BOXFQUZAJTZFPR-LJQANCHMSA-N 0 1 472.914 4.528 50 0 JJAAMN O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022936073 555988784 /nfs/dbraw/zinc/98/87/84/555988784.db2.gz USZMJNUCTVKNJX-SYAXVNJYSA-N 0 1 460.662 4.712 50 0 JJAAMN COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc4cc(C)ccc4nc3s2)CC1 ZINC000015784579 556003451 /nfs/dbraw/zinc/00/34/51/556003451.db2.gz BPCXBDSTASMUNS-UHFFFAOYSA-N 0 1 474.630 4.709 50 0 JJAAMN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1Br ZINC000012541819 556016460 /nfs/dbraw/zinc/01/64/60/556016460.db2.gz CIXLFMWAHWGMBL-UHFFFAOYSA-N 0 1 477.302 4.926 50 0 JJAAMN Cc1csc(CN(C)[C@H]2CCc3c(sc4ncn(Cc5cccc(Cl)c5)c(=O)c34)C2)n1 ZINC000023130117 556019228 /nfs/dbraw/zinc/01/92/28/556019228.db2.gz SMBSWNNOSAUBRY-KRWDZBQOSA-N 0 1 471.051 4.914 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)N2CCCC2)c1 ZINC000023235361 556032925 /nfs/dbraw/zinc/03/29/25/556032925.db2.gz VDIGVRLKAUMUKZ-MHZLTWQESA-N 0 1 452.558 4.872 50 0 JJAAMN Cc1nc(SC(F)F)[nH]c(=O)c1CCC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000012564828 556061479 /nfs/dbraw/zinc/06/14/79/556061479.db2.gz XGYGEHRFRGPDCY-UHFFFAOYSA-N 0 1 462.547 4.652 50 0 JJAAMN COc1ccc(NC(=O)COc2cc(C)ccc2Cl)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015900904 556062361 /nfs/dbraw/zinc/06/23/61/556062361.db2.gz GGPKUEKOVATTMS-UHFFFAOYSA-N 0 1 478.929 4.614 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)N2CCCCC2)cc1 ZINC000012569670 556072907 /nfs/dbraw/zinc/07/29/07/556072907.db2.gz NMQDLTPGPKPQQB-AREMUKBSSA-N 0 1 463.578 4.836 50 0 JJAAMN Fc1ccc(CSc2nnc(C3CCN(Cc4ccccn4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000012571327 556073573 /nfs/dbraw/zinc/07/35/73/556073573.db2.gz YNYXXAUVHIYVLU-QHCPKHFHSA-N 0 1 467.614 4.663 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCCOc3ccccc3)nc2c1 ZINC000012578715 556077690 /nfs/dbraw/zinc/07/76/90/556077690.db2.gz IWNWGIHMHUSEJN-UHFFFAOYSA-N 0 1 456.545 4.808 50 0 JJAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)[nH]n2)c1 ZINC000015974333 556097598 /nfs/dbraw/zinc/09/75/98/556097598.db2.gz GENACLIPYJEEEI-UHFFFAOYSA-N 0 1 476.558 4.725 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCOc2cc(C)ccc2C)ccc1C ZINC000016035499 556118878 /nfs/dbraw/zinc/11/88/78/556118878.db2.gz AUKMPZGWAWVNLZ-UHFFFAOYSA-N 0 1 468.575 4.829 50 0 JJAAMN CC(C)=CCN1C(=O)NC(=Cc2c(Cc3ccccc3C)[nH]n(-c3ccccc3C)c2=O)C1=O ZINC000016534119 556142432 /nfs/dbraw/zinc/14/24/32/556142432.db2.gz WXSLVBGHHBIBFA-KQWNVCNZSA-N 0 1 456.546 4.644 50 0 JJAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2cccs2)C(=O)N1Cc1c(F)cccc1F ZINC000016534152 556142668 /nfs/dbraw/zinc/14/26/68/556142668.db2.gz GHKKLTBTFYYRPP-XKZIYDEJSA-N 0 1 492.507 4.601 50 0 JJAAMN CCOc1cc2c(cc1CNC(=O)CCCCCn1c(=O)c3ccccc3[nH]c1=S)O[C@@H](C)C2 ZINC000024646687 556143609 /nfs/dbraw/zinc/14/36/09/556143609.db2.gz JZRJGMDTSQVESC-KRWDZBQOSA-N 0 1 481.618 4.658 50 0 JJAAMN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)CN(C(C)C)C1CC1 ZINC000024754627 556149988 /nfs/dbraw/zinc/14/99/88/556149988.db2.gz OBPPQCXQAJJVRD-UHFFFAOYSA-N 0 1 471.623 4.914 50 0 JJAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000024923829 556163473 /nfs/dbraw/zinc/16/34/73/556163473.db2.gz QEOZODXRZRHLRS-VWLOTQADSA-N 0 1 493.007 4.778 50 0 JJAAMN [O-][C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957643 556188926 /nfs/dbraw/zinc/18/89/26/556188926.db2.gz NCKKYGLSEXQYJW-IFXJQAMLSA-N 0 1 451.857 4.947 50 0 JJAAMN CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000012997788 556190319 /nfs/dbraw/zinc/19/03/19/556190319.db2.gz JGZWRBYSVWLIEE-UHFFFAOYSA-N 0 1 492.384 4.934 50 0 JJAAMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000013005150 556197235 /nfs/dbraw/zinc/19/72/35/556197235.db2.gz JTWLWBUFPTVILN-MHZLTWQESA-N 0 1 484.600 4.648 50 0 JJAAMN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000013010679 556202969 /nfs/dbraw/zinc/20/29/69/556202969.db2.gz IJRULZYFSHLOTI-HXUWFJFHSA-N 0 1 460.628 4.841 50 0 JJAAMN COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000025435432 556215261 /nfs/dbraw/zinc/21/52/61/556215261.db2.gz ROMABVUXOGCILI-UHFFFAOYSA-N 0 1 468.428 4.906 50 0 JJAAMN COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC ZINC000017186280 556235486 /nfs/dbraw/zinc/23/54/86/556235486.db2.gz HWCFNAAYDFUGQA-IQCGEYIDSA-N 0 1 496.567 4.865 50 0 JJAAMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013040194 556242680 /nfs/dbraw/zinc/24/26/80/556242680.db2.gz HNKBODPIFBKZAM-GOSISDBHSA-N 0 1 464.031 4.502 50 0 JJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000026121754 556249453 /nfs/dbraw/zinc/24/94/53/556249453.db2.gz KMEFIVOURRVWNP-UHFFFAOYSA-N 0 1 466.582 4.566 50 0 JJAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000017307264 556255049 /nfs/dbraw/zinc/25/50/49/556255049.db2.gz VNMBDEKDORLVHD-UHFFFAOYSA-N 0 1 497.621 4.727 50 0 JJAAMN COc1cc([C@@H]2C(C(C)=O)C(Nc3ccc(Br)cc3)=C[C@](C)(O)[C@H]2C(C)=O)ccc1O ZINC000017680804 556263941 /nfs/dbraw/zinc/26/39/41/556263941.db2.gz RFVHJIZLWILSIT-SGNDLWITSA-N 0 1 488.378 4.562 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000013073476 556273103 /nfs/dbraw/zinc/27/31/03/556273103.db2.gz CWTFAPLHWITDPB-FQEVSTJZSA-N 0 1 456.589 4.843 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000013073474 556273241 /nfs/dbraw/zinc/27/32/41/556273241.db2.gz CWTFAPLHWITDPB-HXUWFJFHSA-N 0 1 456.589 4.843 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000017992586 556274798 /nfs/dbraw/zinc/27/47/98/556274798.db2.gz WBODFGCOJUDTNL-SMIHKQSGSA-N 0 1 478.932 4.717 50 0 JJAAMN CCCN(CCC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[nH]1 ZINC000018057301 556281085 /nfs/dbraw/zinc/28/10/85/556281085.db2.gz GJMYBHQSALMHCT-UHFFFAOYSA-N 0 1 478.665 4.644 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018114884 556289528 /nfs/dbraw/zinc/28/95/28/556289528.db2.gz RMYQZKPQVRPYLQ-VXNXHJTFSA-N 0 1 478.932 4.717 50 0 JJAAMN CCOc1ccc(-c2cc(C(=O)Nc3nnc(SCC(=O)c4ccccc4)s3)no2)cc1 ZINC000027580016 556299888 /nfs/dbraw/zinc/29/98/88/556299888.db2.gz KTWQDTPZSAILHM-UHFFFAOYSA-N 0 1 466.544 4.819 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)N(C)C)cc1OC ZINC000013101478 556301755 /nfs/dbraw/zinc/30/17/55/556301755.db2.gz UTLSZGBUVQXUDQ-RUZDIDTESA-N 0 1 484.600 4.898 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)N2CCCCC2)cc1 ZINC000027669155 556303988 /nfs/dbraw/zinc/30/39/88/556303988.db2.gz BTZRXTASNAPVAO-FQEVSTJZSA-N 0 1 467.591 4.867 50 0 JJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)cc1OCC ZINC000027749153 556305536 /nfs/dbraw/zinc/30/55/36/556305536.db2.gz JWHXLMHOEDVBOW-SANMLTNESA-N 0 1 479.577 4.596 50 0 JJAAMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027957092 556310645 /nfs/dbraw/zinc/31/06/45/556310645.db2.gz VCHLGSOSYZIQEJ-UHFFFAOYSA-N 0 1 457.574 4.957 50 0 JJAAMN Cn1c2cc(NS(=O)(=O)c3cccc(Cl)c3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049226 556314305 /nfs/dbraw/zinc/31/43/05/556314305.db2.gz OWCPFOZTFONAEJ-UHFFFAOYSA-N 0 1 466.028 4.756 50 0 JJAAMN Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)n2)cc1C ZINC000028292760 556329244 /nfs/dbraw/zinc/32/92/44/556329244.db2.gz 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CCc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2cccc(OC)c2)c(=O)[nH]1 ZINC000032948278 556563475 /nfs/dbraw/zinc/56/34/75/556563475.db2.gz UYOIXSZTGMPXTI-UHFFFAOYSA-N 0 1 484.628 4.807 50 0 JJAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061880686 563209680 /nfs/dbraw/zinc/20/96/80/563209680.db2.gz OPAGWTVJTNEONK-INIZCTEOSA-N 0 1 484.449 4.766 50 0 JJAAMN Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC4=CCCCC4)c(=O)c3c2)cc1C ZINC000006181258 569588560 /nfs/dbraw/zinc/58/85/60/569588560.db2.gz IBZIGXMMPREWCO-UHFFFAOYSA-N 0 1 493.629 4.590 50 0 JJAAMN Cc1c(-c2ccnc(N3CCN(Cc4ccccc4)CC3)n2)cnc2nc(-c3ccc(Cl)cc3)nn21 ZINC000054202046 569589408 /nfs/dbraw/zinc/58/94/08/569589408.db2.gz FWGBNNPFNOTAOW-UHFFFAOYSA-N 0 1 497.006 4.532 50 0 JJAAMN COc1cccc(OCCN2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)c(C)nn43)CC2)c1 ZINC000054274629 569589522 /nfs/dbraw/zinc/58/95/22/569589522.db2.gz YDDMASTVVWHTDI-UHFFFAOYSA-N 0 1 492.023 4.876 50 0 JJAAMN Cc1nn2c(nc(C)cc2N2CCN(CCOc3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000054274589 569589609 /nfs/dbraw/zinc/58/96/09/569589609.db2.gz KRZMFTDVYJRPNA-UHFFFAOYSA-N 0 1 461.997 4.868 50 0 JJAAMN COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000055327206 569591643 /nfs/dbraw/zinc/59/16/43/569591643.db2.gz BACNLVQXWPNQLT-FTJBHMTQSA-N 0 1 493.673 4.689 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)cc1Cl ZINC000008574718 569591950 /nfs/dbraw/zinc/59/19/50/569591950.db2.gz ATUAZDZUWYLHOW-AREMUKBSSA-N 0 1 489.959 4.861 50 0 JJAAMN COCCN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000057315415 569596986 /nfs/dbraw/zinc/59/69/86/569596986.db2.gz NKEDDTIGMLSZTO-UHFFFAOYSA-N 0 1 475.083 4.894 50 0 JJAAMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000008718352 569597064 /nfs/dbraw/zinc/59/70/64/569597064.db2.gz GCDLYDGCOUUXSB-XMMPIXPASA-N 0 1 456.546 4.708 50 0 JJAAMN COc1cc(-c2nnc(CSc3nc(Cc4ccccc4)c(C)[nH]3)o2)cc(OC)c1OC ZINC000008725258 569600081 /nfs/dbraw/zinc/60/00/81/569600081.db2.gz CSLBJTVPRMWJSA-UHFFFAOYSA-N 0 1 452.536 4.677 50 0 JJAAMN Cc1cc2nc3sc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)cc(=O)n3c2cc1C ZINC000033009114 569615933 /nfs/dbraw/zinc/61/59/33/569615933.db2.gz UKGZQEQPSILZKV-UHFFFAOYSA-N 0 1 495.048 4.821 50 0 JJAAMN CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557792 569618264 /nfs/dbraw/zinc/61/82/64/569618264.db2.gz YKMYFRSQVUDBNL-OAQYLSRUSA-N 0 1 453.491 4.556 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064557881 569618384 /nfs/dbraw/zinc/61/83/84/569618384.db2.gz SIVMNNVLAFAWPD-OAQYLSRUSA-N 0 1 497.956 4.848 50 0 JJAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1)C(=O)Nc1cc(C)ccc1C ZINC000064579518 569620256 /nfs/dbraw/zinc/62/02/56/569620256.db2.gz DYNJVEDBGJGTLA-LJQANCHMSA-N 0 1 485.631 4.758 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N(CC)c3cccc(C)c3)[nH]c2=O)cc1 ZINC000064591987 569622084 /nfs/dbraw/zinc/62/20/84/569622084.db2.gz PRNJTEFCUOCLOJ-UHFFFAOYSA-N 0 1 499.658 4.811 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3CC)[nH]c2=O)cc1 ZINC000064591981 569622088 /nfs/dbraw/zinc/62/20/88/569622088.db2.gz QQKFMVMYMQRVGE-UHFFFAOYSA-N 0 1 485.631 4.651 50 0 JJAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(OC)cc4)c3NC3CCCCC3)s2)CC1 ZINC000064746080 569625251 /nfs/dbraw/zinc/62/52/51/569625251.db2.gz WWKMEPRRESBQFQ-UHFFFAOYSA-N 0 1 454.644 4.743 50 0 JJAAMN COc1ccc(N(C(=O)c2ccccc2OC)C2CCN(Cc3ccco3)CC2)cc1OC ZINC000034682881 569644071 /nfs/dbraw/zinc/64/40/71/569644071.db2.gz HKVRJPNKOZPRJE-UHFFFAOYSA-N 0 1 450.535 4.617 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000034684711 569644954 /nfs/dbraw/zinc/64/49/54/569644954.db2.gz LQSZOEOBXCQLQT-UHFFFAOYSA-N 0 1 453.508 4.958 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035996 569652914 /nfs/dbraw/zinc/65/29/14/569652914.db2.gz NSHAYRWXYUHIBQ-UHFFFAOYSA-N 0 1 490.626 4.640 50 0 JJAAMN Fc1cccc(-c2noc(-c3ccc(NCCCN4CCN(c5ccccc5)CC4)nc3)n2)c1 ZINC000065097935 569661670 /nfs/dbraw/zinc/66/16/70/569661670.db2.gz GFAVDELFLXVKKL-UHFFFAOYSA-N 0 1 458.541 4.562 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)/C=C/c1ccccc1 ZINC000034814875 569662846 /nfs/dbraw/zinc/66/28/46/569662846.db2.gz SMZOFPIVPQHEDM-WUKNDPDISA-N 0 1 471.649 4.775 50 0 JJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000034830527 569663935 /nfs/dbraw/zinc/66/39/35/569663935.db2.gz FIZHXPKOFMSLRV-BVZFJXPGSA-N 0 1 497.661 4.659 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)c3ccccc3F)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831236 569664122 /nfs/dbraw/zinc/66/41/22/569664122.db2.gz ROFINGBFAZUNBH-UHFFFAOYSA-N 0 1 463.601 4.513 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1ccc(CC)cc1 ZINC000034831266 569664206 /nfs/dbraw/zinc/66/42/06/569664206.db2.gz KCRSKKMGJVRFMY-UHFFFAOYSA-N 0 1 477.628 4.686 50 0 JJAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)Cc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832117 569664434 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AAANQBUEHDJJLN-UHFFFAOYSA-N 0 1 457.638 4.637 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(OC)cc1)=N2 ZINC000035372590 569683070 /nfs/dbraw/zinc/68/30/70/569683070.db2.gz FABJNUCREDWOLN-UHFFFAOYSA-N 0 1 464.635 4.697 50 0 JJAAMN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Cl)cc2)c1 ZINC000035372608 569683082 /nfs/dbraw/zinc/68/30/82/569683082.db2.gz PLJWMTQBAPJQSK-UHFFFAOYSA-N 0 1 455.027 4.952 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(F)cc1)=N2 ZINC000035372809 569683243 /nfs/dbraw/zinc/68/32/43/569683243.db2.gz LJHQJAURVBKNJW-UHFFFAOYSA-N 0 1 458.990 4.864 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccccc1)=N2 ZINC000035372714 569683352 /nfs/dbraw/zinc/68/33/52/569683352.db2.gz FRYSJQYKFDMJCP-UHFFFAOYSA-N 0 1 458.990 4.864 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372937 569683415 /nfs/dbraw/zinc/68/34/15/569683415.db2.gz NLMVGUCGOCFTCW-UHFFFAOYSA-N 0 1 489.016 4.873 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(OC)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372952 569683527 /nfs/dbraw/zinc/68/35/27/569683527.db2.gz PYRNCMFVLODEEJ-UHFFFAOYSA-N 0 1 471.026 4.734 50 0 JJAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397183 569687700 /nfs/dbraw/zinc/68/77/00/569687700.db2.gz XDYIISDRULCHLB-UHFFFAOYSA-N 0 1 485.451 4.753 50 0 JJAAMN CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1 ZINC000068711428 569691658 /nfs/dbraw/zinc/69/16/58/569691658.db2.gz SDGJBAUIGHSMRI-UHFFFAOYSA-N 0 1 496.999 4.775 50 0 in-vitro JJAAMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc(I)cc1 ZINC000069628518 569693497 /nfs/dbraw/zinc/69/34/97/569693497.db2.gz RVHITMIMDQPKNL-UHFFFAOYSA-N 0 1 466.282 4.996 50 0 JJAAMN CC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000071328654 569697027 /nfs/dbraw/zinc/69/70/27/569697027.db2.gz JMGLKYPQZRRLFN-OAQYLSRUSA-N 0 1 467.930 4.874 50 0 JJAAMN Cc1ccc(CN2CCCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3)CC2)cc1 ZINC000071793460 569698454 /nfs/dbraw/zinc/69/84/54/569698454.db2.gz QNPWPIURSIXVIU-PSWAGMNNSA-N 0 1 477.649 4.511 50 0 JJAAMN CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000035829434 569712845 /nfs/dbraw/zinc/71/28/45/569712845.db2.gz LNKXEPRTMGZFOK-MOSHPQCFSA-N 0 1 470.451 4.642 50 0 JJAAMN CC(C)c1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829498 569713061 /nfs/dbraw/zinc/71/30/61/569713061.db2.gz FTDQYSUUGBCBCR-ODLFYWEKSA-N 0 1 454.889 4.587 50 0 JJAAMN CCN1CCN(c2c(C)c(C(=O)N[C@@H](C)c3ccccc3)n(Cc3ccc(F)cc3)c2C)CC1 ZINC000035835080 569713369 /nfs/dbraw/zinc/71/33/69/569713369.db2.gz VQRPFEZJBDWZMV-NRFANRHFSA-N 0 1 462.613 4.925 50 0 JJAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Br)cc3)c(O)c2ON1c1ccccc1 ZINC000085994243 569716855 /nfs/dbraw/zinc/71/68/55/569716855.db2.gz YWWIZTJUVAVILE-BDTNDASRSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871759 569718976 /nfs/dbraw/zinc/71/89/76/569718976.db2.gz MERTWDHXFPMKRY-TUDQOENJSA-N 0 1 473.592 4.575 50 0 JJAAMN COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096222719 569739699 /nfs/dbraw/zinc/73/96/99/569739699.db2.gz DBTABEQCFLISOR-CYBMUJFWSA-N 0 1 460.467 4.676 50 0 biogenic JJAAMN O[C@@H](COc1ccccc1Br)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097891397 569745902 /nfs/dbraw/zinc/74/59/02/569745902.db2.gz QBJJLITVUJPNRY-HSZRJFAPSA-N 0 1 481.434 4.596 50 0 JJAAMN O[C@@H](Cc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312954 569760436 /nfs/dbraw/zinc/76/04/36/569760436.db2.gz NJYHDSZVSJSJAV-DQEYMECFSA-N 0 1 461.606 4.526 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)/N=c2\sc3cccc(Cl)c3n2C)cc1 ZINC000100878755 569773981 /nfs/dbraw/zinc/77/39/81/569773981.db2.gz BDAYRDVQWIMVJB-GYHWCHFESA-N 0 1 471.991 4.744 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101156429 569784927 /nfs/dbraw/zinc/78/49/27/569784927.db2.gz ATHOVTVQXVQWNU-NXCFDTQHSA-N 0 1 472.541 4.925 50 0 JJAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101156429 569784928 /nfs/dbraw/zinc/78/49/28/569784928.db2.gz ATHOVTVQXVQWNU-NXCFDTQHSA-N 0 1 472.541 4.925 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000101199637 569786909 /nfs/dbraw/zinc/78/69/09/569786909.db2.gz VNERRIBWWMXGQO-VSKRKVRLSA-N 0 1 497.320 4.648 50 0 JJAAMN COc1ccc(N(C2CCN(Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000037570532 569795728 /nfs/dbraw/zinc/79/57/28/569795728.db2.gz YHBSVNBZPROWAY-UHFFFAOYSA-N 0 1 480.630 4.872 50 0 JJAAMN COc1ccc(N(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000037560605 569795739 /nfs/dbraw/zinc/79/57/39/569795739.db2.gz PLMYAYQQWXAHKI-UHFFFAOYSA-N 0 1 466.603 4.564 50 0 JJAAMN COc1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037587467 569796734 /nfs/dbraw/zinc/79/67/34/569796734.db2.gz ZWTVNANWFAHRBM-UHFFFAOYSA-N 0 1 494.613 4.592 50 0 JJAAMN O=c1occ(CN2CCN(c3ccc(Cl)cc3)CC2)c([O-])c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000101411224 569797241 /nfs/dbraw/zinc/79/72/41/569797241.db2.gz WWYWQFDJCNQDPM-UHFFFAOYSA-N 0 1 494.035 4.701 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)N5CCCCCC5)cc4)c3=O)c2c1 ZINC000101497406 569800550 /nfs/dbraw/zinc/80/05/50/569800550.db2.gz YNTGTXLSRRPOJE-UHFFFAOYSA-N 0 1 462.575 4.613 50 0 JJAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000101505342 569801131 /nfs/dbraw/zinc/80/11/31/569801131.db2.gz MCSIEOKZKPOZBN-UHFFFAOYSA-N 0 1 487.629 4.513 50 0 JJAAMN CCN1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546588 569803444 /nfs/dbraw/zinc/80/34/44/569803444.db2.gz ZVBZCUDYULWNQX-HSZRJFAPSA-N 0 1 450.608 4.594 50 0 JJAAMN COc1ccc(NC(=O)c2sc(N3N=C(C)C(Cc4ccc(C)cc4)C3=O)nc2C)c(OC)c1 ZINC000101832428 569805640 /nfs/dbraw/zinc/80/56/40/569805640.db2.gz LSAQCRPEDGBMPH-UHFFFAOYSA-N 0 1 478.574 4.820 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102706908 569816677 /nfs/dbraw/zinc/81/66/77/569816677.db2.gz BLTQNZDLBFLECQ-YPAWHYETSA-N 0 1 468.431 4.765 50 0 JJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102726160 569817754 /nfs/dbraw/zinc/81/77/54/569817754.db2.gz FXRVZIUSXVMWPB-BHDDXSALSA-N 0 1 485.323 4.759 50 0 JJAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)ccc1O ZINC000102751879 569820931 /nfs/dbraw/zinc/82/09/31/569820931.db2.gz CLFLKKAXZPKSEK-WXFUMESZSA-N 0 1 478.932 4.804 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000102761810 569822359 /nfs/dbraw/zinc/82/23/59/569822359.db2.gz ZYUISDLOMKBHPH-DNVJHFABSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000104416815 569845783 /nfs/dbraw/zinc/84/57/83/569845783.db2.gz VBPXCVHWHAIKRX-YADARESESA-N 0 1 466.553 4.739 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104982693 569847966 /nfs/dbraw/zinc/84/79/66/569847966.db2.gz CAZSQENHHXTWGH-JTHBVZDNSA-N 0 1 461.002 4.520 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983086 569848025 /nfs/dbraw/zinc/84/80/25/569848025.db2.gz ZTJDULXERPKFLT-VQTJNVASSA-N 0 1 451.394 4.775 50 0 JJAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000105061869 569852694 /nfs/dbraw/zinc/85/26/94/569852694.db2.gz DKEHJRCHZHMYBD-NIYFSFCBSA-N 0 1 485.669 4.720 50 0 JJAAMN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1 ZINC000137515730 569864961 /nfs/dbraw/zinc/86/49/61/569864961.db2.gz GAZHQWQMDQVGHO-RBZQAINGSA-N 0 1 478.932 4.717 50 0 JJAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000230156916 570046114 /nfs/dbraw/zinc/04/61/14/570046114.db2.gz BEGNDCGQVPUYOS-XTEPFMGCSA-N 0 1 471.004 4.996 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000239274845 570049914 /nfs/dbraw/zinc/04/99/14/570049914.db2.gz ASXVFWBECPQAOH-VSKRKVRLSA-N 0 1 452.869 4.539 50 0 JJAAMN COc1ccc(-c2nc(CN3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)CC3)c(C)o2)cc1OC ZINC000245257693 570060802 /nfs/dbraw/zinc/06/08/02/570060802.db2.gz DCMPLSUFHVOKNO-JBYIUTFZSA-N 0 1 469.626 4.820 50 0 JJAAMN O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247499985 570068322 /nfs/dbraw/zinc/06/83/22/570068322.db2.gz PMTHPTRFZIRITQ-JOCHJYFZSA-N 0 1 456.565 4.736 50 0 JJAAMN COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247918175 570071163 /nfs/dbraw/zinc/07/11/63/570071163.db2.gz WSTPVKIXBIFMRF-XMMPIXPASA-N 0 1 468.601 4.622 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247918175 570071164 /nfs/dbraw/zinc/07/11/64/570071164.db2.gz WSTPVKIXBIFMRF-XMMPIXPASA-N 0 1 468.601 4.622 50 0 JJAAMN CCCN(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247958892 570071710 /nfs/dbraw/zinc/07/17/10/570071710.db2.gz DRPNFWDWERFZKA-SFHVURJKSA-N 0 1 469.427 4.868 50 0 JJAAMN CCCN(C)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978907 570072149 /nfs/dbraw/zinc/07/21/49/570072149.db2.gz JBZWIMRGYDJDFY-SFHVURJKSA-N 0 1 469.427 4.868 50 0 JJAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000247994472 570072542 /nfs/dbraw/zinc/07/25/42/570072542.db2.gz CGWGCMAVZSROKA-LMSSTIIKSA-N 0 1 450.586 4.651 50 0 JJAAMN CC(C)NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248021656 570072905 /nfs/dbraw/zinc/07/29/05/570072905.db2.gz UVVKZMNHQMKEHV-QGZVFWFLSA-N 0 1 455.400 4.525 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)nc3ccccc32)cc1 ZINC000248125219 570074767 /nfs/dbraw/zinc/07/47/67/570074767.db2.gz WNXQXHWQJYETPV-RUZDIDTESA-N 0 1 482.628 4.930 50 0 JJAAMN CC(C)n1c(CN2CCC[C@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000248176148 570075981 /nfs/dbraw/zinc/07/59/81/570075981.db2.gz VUAYVEVMUUQTEZ-IBGZPJMESA-N 0 1 469.427 4.908 50 0 JJAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000248299160 570077419 /nfs/dbraw/zinc/07/74/19/570077419.db2.gz ZFCHLXCDLKDYCG-VIYORZMQSA-N 0 1 491.591 4.978 50 0 JJAAMN CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000252512251 570082693 /nfs/dbraw/zinc/08/26/93/570082693.db2.gz OMEGVDDLGUAPTE-NIJXNBFTSA-N 0 1 498.067 4.728 50 0 JJAAMN O=C(c1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000263640085 570173956 /nfs/dbraw/zinc/17/39/56/570173956.db2.gz WYXWLOARHQJQLY-UHFFFAOYSA-N 0 1 495.973 4.956 50 0 JJAAMN Cc1cc(CN(C)C(=O)c2cc(NC(=O)c3ccccc3)cc3ncn(C4CCCC4)c32)n[nH]1 ZINC000299756646 570174229 /nfs/dbraw/zinc/17/42/29/570174229.db2.gz GWCDLUGHDYLVPD-UHFFFAOYSA-N 0 1 456.550 4.707 50 0 JJAAMN Cc1ccccc1Cn1c(COCc2ccccc2)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000408524851 570185711 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1 465.823 4.745 50 0 JJAAMN COc1ccc(OC)c([C@@H]2C(C(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)=C(C)Nc3ncnn32)c1 ZINC000036067939 524890377 /nfs/dbraw/zinc/89/03/77/524890377.db2.gz QATYCXBNHBMYGZ-PBCWYRCBSA-N 0 1 454.571 4.588 50 0 JJAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4C)n[nH]3)no2)cc1Cl ZINC000033270937 525041122 /nfs/dbraw/zinc/04/11/22/525041122.db2.gz FXPOZINYBODGJN-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN Cc1[nH]c2c(cccc2C(=O)N2CCC(Oc3ccc(CN(C)Cc4cnn(C)c4)cc3)CC2)c1C ZINC000014988514 525417917 /nfs/dbraw/zinc/41/79/17/525417917.db2.gz INQPTFQUQBDANC-UHFFFAOYSA-N 0 1 485.632 4.834 50 0 JJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000034830379 525448517 /nfs/dbraw/zinc/44/85/17/525448517.db2.gz VSGIDOHNUYLSLK-CUNXSJBXSA-N 0 1 487.669 4.767 50 0 JJAAMN COc1cccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)c1 ZINC000008595031 525726229 /nfs/dbraw/zinc/72/62/29/525726229.db2.gz CQZWKROOQPZBJQ-IBGZPJMESA-N 0 1 457.983 4.793 50 0 JJAAMN COc1cccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)c1 ZINC000008595035 525726622 /nfs/dbraw/zinc/72/66/22/525726622.db2.gz CQZWKROOQPZBJQ-LJQANCHMSA-N 0 1 457.983 4.793 50 0 JJAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698277 525784268 /nfs/dbraw/zinc/78/42/68/525784268.db2.gz MSWSUAMTZHREBQ-NDEPHWFRSA-N 0 1 487.575 4.863 50 0 JJAAMN Cc1ccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4C)n3)n2)cc1 ZINC000033270927 525790655 /nfs/dbraw/zinc/79/06/55/525790655.db2.gz ZWLLKEJNUSRYJS-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000006142717 525925930 /nfs/dbraw/zinc/92/59/30/525925930.db2.gz NVGPJDJNKPTLHN-IBGZPJMESA-N 0 1 473.554 4.955 50 0 JJAAMN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698106 525979772 /nfs/dbraw/zinc/97/97/72/525979772.db2.gz NCCQBEOGAMMUCM-GDLZYMKVSA-N 0 1 498.602 4.665 50 0 JJAAMN Cc1c[nH]c2cccc(OC[C@@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020461866 526000267 /nfs/dbraw/zinc/00/02/67/526000267.db2.gz WCIMODZEMJEZFL-VWLOTQADSA-N 0 1 455.602 4.623 50 0 in-vitro JJAAMN Cc1c[nH]c2cccc(OC[C@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020461868 526000756 /nfs/dbraw/zinc/00/07/56/526000756.db2.gz WCIMODZEMJEZFL-RUZDIDTESA-N 0 1 455.602 4.623 50 0 in-vitro JJAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146655 526287882 /nfs/dbraw/zinc/28/78/82/526287882.db2.gz REMKEXMDXRZWCD-RBBKRZOGSA-N 0 1 472.944 4.645 50 0 JJAAMN O[C@](c1ccccc1)(c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020440873 526319314 /nfs/dbraw/zinc/31/93/14/526319314.db2.gz GKWKQOZLNYGLLH-JWQCQUIFSA-N 0 1 452.392 4.801 50 0 JJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995505 526578649 /nfs/dbraw/zinc/57/86/49/526578649.db2.gz QQCVUALXUOEVOR-WMZHIEFXSA-N 0 1 455.002 4.537 50 0 JJAAMN Cc1nc(C(=O)NC[C@@H](C)Oc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)cs1 ZINC000014995715 526648379 /nfs/dbraw/zinc/64/83/79/526648379.db2.gz RUZICTILIMOVEH-GOSISDBHSA-N 0 1 485.053 4.624 50 0 JJAAMN Cc1nc(CN(C)[C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)cs1 ZINC000014964772 526844755 /nfs/dbraw/zinc/84/47/55/526844755.db2.gz JJRKWTRPSJGASW-LJQANCHMSA-N 0 1 468.623 4.594 50 0 JJAAMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014897987 527047750 /nfs/dbraw/zinc/04/77/50/527047750.db2.gz LPGHMCKHNBTYNJ-RMKNXTFCSA-N 0 1 491.514 4.574 50 0 JJAAMN O=C(Nc1cc(CNCc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCCC2)c1)c1ccccn1 ZINC000012217168 527107161 /nfs/dbraw/zinc/10/71/61/527107161.db2.gz XDNBHQFDXFHUOU-UHFFFAOYSA-N 0 1 482.506 4.879 50 0 JJAAMN O=C(Nc1cccc2nsnc21)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000033170517 527390018 /nfs/dbraw/zinc/39/00/18/527390018.db2.gz FPZZDUZKUZIFGF-UHFFFAOYSA-N 0 1 489.376 4.507 50 0 JJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1cccs1)C(C)C ZINC000034835696 527536181 /nfs/dbraw/zinc/53/61/81/527536181.db2.gz RZALDDVKYIEWAW-UHFFFAOYSA-N 0 1 483.657 4.963 50 0 JJAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145884 527658569 /nfs/dbraw/zinc/65/85/69/527658569.db2.gz XPYLENWWPXBGDT-FTJBHMTQSA-N 0 1 464.993 4.913 50 0 JJAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611161 527667918 /nfs/dbraw/zinc/66/79/18/527667918.db2.gz CLXQDSUKYDVOHU-UHFFFAOYSA-N 0 1 486.591 4.694 50 0 JJAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000008610759 527668064 /nfs/dbraw/zinc/66/80/64/527668064.db2.gz YTMADNTXXKXADQ-UHFFFAOYSA-N 0 1 480.037 4.683 50 0 JJAAMN Cc1ccc(-c2n[nH]c(S[C@@H]3CCc4ccccc4N(CC(=O)OC(C)(C)C)C3=O)n2)cc1 ZINC000000684942 553756206 /nfs/dbraw/zinc/75/62/06/553756206.db2.gz QLGQGQJKCVRGPE-HXUWFJFHSA-N 0 1 464.591 4.562 50 0 JJAAMN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000752146 553777143 /nfs/dbraw/zinc/77/71/43/553777143.db2.gz VEHHIEDGXRUKCP-UHFFFAOYSA-N 0 1 457.360 4.595 50 0 JJAAMN COc1cc(Br)cc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000000934817 553873301 /nfs/dbraw/zinc/87/33/01/553873301.db2.gz SKDXCDLIKHGQMG-LJQANCHMSA-N 0 1 460.347 4.562 50 0 JJAAMN CC(C)(C)[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(NC2CC2)CCCCC1 ZINC000001030846 553901123 /nfs/dbraw/zinc/90/11/23/553901123.db2.gz QVIPCNZDKHIVBL-LEWJYISDSA-N 0 1 485.036 4.694 50 0 JJAAMN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000001057812 553902074 /nfs/dbraw/zinc/90/20/74/553902074.db2.gz MWCMNKDLKXZUBJ-UHFFFAOYSA-N 0 1 471.966 4.968 50 0 JJAAMN CCCOc1c(Br)cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)OCC)cc1OC ZINC000002114211 554052513 /nfs/dbraw/zinc/05/25/13/554052513.db2.gz ZVLPVLDXTPOFSZ-HXUWFJFHSA-N 0 1 489.366 4.575 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000002239377 554109059 /nfs/dbraw/zinc/10/90/59/554109059.db2.gz JIJMMVASESSFCN-RUZDIDTESA-N 0 1 490.947 4.902 50 0 JJAAMN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(C)cc1 ZINC000002413680 554193606 /nfs/dbraw/zinc/19/36/06/554193606.db2.gz CLXPLGBTTGMABJ-HHHXNRCGSA-N 0 1 498.579 4.796 50 0 JJAAMN COc1ccc(CN(C)C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)c(OC)c1OC ZINC000002624241 554248223 /nfs/dbraw/zinc/24/82/23/554248223.db2.gz DPYURSACHOSWRT-SFHVURJKSA-N 0 1 451.991 4.669 50 0 JJAAMN Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1C[C@H]1CCCO1 ZINC000002634197 554255213 /nfs/dbraw/zinc/25/52/13/554255213.db2.gz TVXUUYCAIUDQOE-QGZVFWFLSA-N 0 1 475.412 4.807 50 0 JJAAMN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1C ZINC000002654448 554270400 /nfs/dbraw/zinc/27/04/00/554270400.db2.gz IHNCZPFYXJCEPD-CYBMUJFWSA-N 0 1 463.401 4.835 50 0 JJAAMN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000002692125 554288610 /nfs/dbraw/zinc/28/86/10/554288610.db2.gz OKMCQESZFDCUIA-UHFFFAOYSA-N 0 1 477.995 4.523 50 0 JJAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccccc1Cl ZINC000002973739 554414539 /nfs/dbraw/zinc/41/45/39/554414539.db2.gz IDBMMNSJGHWFEN-UHFFFAOYSA-N 0 1 466.788 4.572 50 0 JJAAMN COc1cccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000008744870 554648059 /nfs/dbraw/zinc/64/80/59/554648059.db2.gz XVRLCHMJGDPDSW-UHFFFAOYSA-N 0 1 458.967 4.947 50 0 JJAAMN COC(=O)C1=C(CSc2ccc(Br)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815952 554697582 /nfs/dbraw/zinc/69/75/82/554697582.db2.gz VVPJHOSLYIVYAR-IBGZPJMESA-N 0 1 461.381 4.639 50 0 JJAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)[nH]n2)c1 ZINC000008845441 554742525 /nfs/dbraw/zinc/74/25/25/554742525.db2.gz JSCVOJCWZRNRRV-UHFFFAOYSA-N 0 1 476.558 4.806 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000008845726 554743595 /nfs/dbraw/zinc/74/35/95/554743595.db2.gz ILQMMURDTJJOBL-AREMUKBSSA-N 0 1 485.540 4.862 50 0 JJAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCCc1ccccc1)=N2 ZINC000008888432 554779479 /nfs/dbraw/zinc/77/94/79/554779479.db2.gz CLGLKWCXHUPCJG-QFIPXVFZSA-N 0 1 471.582 4.881 50 0 JJAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SCc1ccccc1F)=N2 ZINC000008888398 554779572 /nfs/dbraw/zinc/77/95/72/554779572.db2.gz LCCOXVCWHYUVFO-OAQYLSRUSA-N 0 1 475.545 4.978 50 0 JJAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000008918017 554813774 /nfs/dbraw/zinc/81/37/74/554813774.db2.gz LECDVMUCSXNGEK-KWYVSSJISA-N 0 1 492.575 4.956 50 0 biogenic JJAAMN CN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccccc3Br)cc2C1=O ZINC000008961025 554837504 /nfs/dbraw/zinc/83/75/04/554837504.db2.gz ALCPKICFXKIBCL-UHFFFAOYSA-N 0 1 459.321 4.632 50 0 JJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000008961362 554837845 /nfs/dbraw/zinc/83/78/45/554837845.db2.gz ILSPLEZUACIBMJ-UHFFFAOYSA-N 0 1 460.895 4.516 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)c1 ZINC000009090613 554891489 /nfs/dbraw/zinc/89/14/89/554891489.db2.gz FRFOPNSZXQOIOX-SFHVURJKSA-N 0 1 477.542 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COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCCC1 ZINC000009203841 554974037 /nfs/dbraw/zinc/97/40/37/554974037.db2.gz WZMIIDDEYWXAFV-UHFFFAOYSA-N 0 1 466.563 4.740 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009242699 555017446 /nfs/dbraw/zinc/01/74/46/555017446.db2.gz AVFAWKITMBLUKQ-RUZDIDTESA-N 0 1 470.529 4.557 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@H]2c2ccccc2F)cc1 ZINC000009243348 555018265 /nfs/dbraw/zinc/01/82/65/555018265.db2.gz FKTGGHRPABYVAZ-RUZDIDTESA-N 0 1 461.468 4.857 50 0 JJAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)c(C)c1 ZINC000009355969 555120757 /nfs/dbraw/zinc/12/07/57/555120757.db2.gz FXFXFXHUFPTTRA-UHFFFAOYSA-N 0 1 484.021 4.720 50 0 JJAAMN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000009405097 555163724 /nfs/dbraw/zinc/16/37/24/555163724.db2.gz OYYQZEYACVGLGA-UHFFFAOYSA-N 0 1 454.977 4.725 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C 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/nfs/dbraw/zinc/17/36/34/555173634.db2.gz CGRPFLSKHICWAR-AREMUKBSSA-N 0 1 479.577 4.534 50 0 JJAAMN O=C(CN(Cc1ccco1)C(=O)c1ccc2[nH]nnc2c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009465436 555239591 /nfs/dbraw/zinc/23/95/91/555239591.db2.gz YQFQYHSUHRJZBB-UHFFFAOYSA-N 0 1 477.830 4.504 50 0 JJAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000009490869 555267005 /nfs/dbraw/zinc/26/70/05/555267005.db2.gz GWRZZMLEZLLAEZ-UHFFFAOYSA-N 0 1 486.019 4.892 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc2OC)cc1 ZINC000009490982 555267327 /nfs/dbraw/zinc/26/73/27/555267327.db2.gz PCJRUERXEBNFLN-UHFFFAOYSA-N 0 1 493.585 4.947 50 0 JJAAMN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 ZINC000009496811 555281425 /nfs/dbraw/zinc/28/14/25/555281425.db2.gz FMCDKJWPVPMPNH-MRXNPFEDSA-N 0 1 475.549 4.833 50 0 JJAAMN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)cc1 ZINC000009510593 555300101 /nfs/dbraw/zinc/30/01/01/555300101.db2.gz 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CCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000009662895 555370156 /nfs/dbraw/zinc/37/01/56/555370156.db2.gz VFCYEHKTORRSIW-UHFFFAOYSA-N 0 1 488.997 4.643 50 0 JJAAMN CCCCN1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)CC1 ZINC000013321627 555376001 /nfs/dbraw/zinc/37/60/01/555376001.db2.gz AZOFBNUKJKKUKJ-UHFFFAOYSA-N 0 1 453.384 4.617 50 0 JJAAMN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3N3CCN(C)CC3)[C@@H]2c2ccccc2)cc1 ZINC000009672463 555394712 /nfs/dbraw/zinc/39/47/12/555394712.db2.gz BNCMBOXWQNDJDK-SVEHJYQDSA-N 0 1 498.627 4.570 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679542 555406357 /nfs/dbraw/zinc/40/63/57/555406357.db2.gz DUWRFRVALVAEFP-XMMPIXPASA-N 0 1 473.485 4.613 50 0 JJAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000009693916 555423597 /nfs/dbraw/zinc/42/35/97/555423597.db2.gz KEOHFYHNLAGPLV-UHFFFAOYSA-N 0 1 460.622 4.813 50 0 JJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000009711970 555434974 /nfs/dbraw/zinc/43/49/74/555434974.db2.gz XEIHSPRCFUBQFZ-SFHVURJKSA-N 0 1 470.923 4.517 50 0 JJAAMN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000009743628 555475099 /nfs/dbraw/zinc/47/50/99/555475099.db2.gz HBHHIKIMGXHDEQ-XMMPIXPASA-N 0 1 470.573 4.767 50 0 JJAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009778114 555496661 /nfs/dbraw/zinc/49/66/61/555496661.db2.gz DSZSGXRSFVBROC-PKTZIBPZSA-N 0 1 460.917 4.800 50 0 JJAAMN CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000009778179 555496857 /nfs/dbraw/zinc/49/68/57/555496857.db2.gz MTNXLFNFYPKENT-GOTSBHOMSA-N 0 1 476.916 4.500 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cccc(OCc3c(C)noc3C)c2)N2CCCCC2)cc1 ZINC000009820686 555523570 /nfs/dbraw/zinc/52/35/70/555523570.db2.gz YUIPDFUXMSIITB-AREMUKBSSA-N 0 1 463.578 4.836 50 0 JJAAMN Clc1cccc(N2CCN(CCCNc3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)c1 ZINC000009831077 555532633 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4.777 50 0 JJAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214075 555708618 /nfs/dbraw/zinc/70/86/18/555708618.db2.gz KDZDYKXCWONVTE-QFIPXVFZSA-N 0 1 457.958 4.549 50 0 JJAAMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000014185206 555726606 /nfs/dbraw/zinc/72/66/06/555726606.db2.gz UERASCDPVBJNHG-VWLOTQADSA-N 0 1 470.573 4.767 50 0 JJAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000011325116 555772565 /nfs/dbraw/zinc/77/25/65/555772565.db2.gz GMIYFHLMAKBCIF-UHFFFAOYSA-N 0 1 455.374 4.633 50 0 JJAAMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cc(-c3ccco3)on2)ccc1F ZINC000011333718 555773451 /nfs/dbraw/zinc/77/34/51/555773451.db2.gz AXVUDWXJJPLZQR-UHFFFAOYSA-N 0 1 456.451 4.540 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000020329109 555775126 /nfs/dbraw/zinc/77/51/26/555775126.db2.gz GODGNEVKXWEYSF-UHFFFAOYSA-N 0 1 464.591 4.734 50 0 JJAAMN COc1cc(OC)c(OC)cc1CN1CCC2(C[C@@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000011782307 555812762 /nfs/dbraw/zinc/81/27/62/555812762.db2.gz GWXRDQNDNHCOMQ-HXUWFJFHSA-N 0 1 456.608 4.675 50 0 JJAAMN COc1cc(-c2nc(CN3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)cc2c1OCO2 ZINC000011819821 555831255 /nfs/dbraw/zinc/83/12/55/555831255.db2.gz KVDCGMXGCZNJFR-IBGZPJMESA-N 0 1 450.470 4.740 50 0 JJAAMN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000015000877 555845468 /nfs/dbraw/zinc/84/54/68/555845468.db2.gz RETPKTUMUYWYRW-SFHVURJKSA-N 0 1 491.979 4.866 50 0 JJAAMN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(Cl)cc3)C4=O)CC2)cc1C ZINC000015001447 555846133 /nfs/dbraw/zinc/84/61/33/555846133.db2.gz SPNDGHWMNCBKLH-UHFFFAOYSA-N 0 1 490.003 4.775 50 0 JJAAMN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000015022356 555863964 /nfs/dbraw/zinc/86/39/64/555863964.db2.gz LXRCRGPDHUKWEN-GASCZTMLSA-N 0 1 451.386 4.653 50 0 JJAAMN C/C(=C\c1ccccc1)CN1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1 ZINC000015068222 555868273 /nfs/dbraw/zinc/86/82/73/555868273.db2.gz PCDGJUJEGRNVTE-HEHNFIMWSA-N 0 1 469.560 4.847 50 0 JJAAMN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000015074132 555872055 /nfs/dbraw/zinc/87/20/55/555872055.db2.gz LYAZMPSHOXKQOO-SFHVURJKSA-N 0 1 451.954 4.950 50 0 JJAAMN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N[C@H]4CCCN(Cc5ccccc5)C4)c3C3CC3)n2)o1 ZINC000011976891 555875787 /nfs/dbraw/zinc/87/57/87/555875787.db2.gz QVJADQQYDOUJKH-QFIPXVFZSA-N 0 1 482.588 4.503 50 0 JJAAMN O=C(c1cccnc1)[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc4[nH]ccc4c2)CCO3)C1 ZINC000012078425 555902479 /nfs/dbraw/zinc/90/24/79/555902479.db2.gz KSWQTPZSJONFPM-RUZDIDTESA-N 0 1 494.595 4.693 50 0 JJAAMN COc1ccc([C@@H](CC(=O)NC[C@H]2CCCO2)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000012080495 555903343 /nfs/dbraw/zinc/90/33/43/555903343.db2.gz PHQYEMLNGICAEI-WOJBJXKFSA-N 0 1 472.998 4.652 50 0 JJAAMN Cc1cccc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)n1 ZINC000012135702 555913352 /nfs/dbraw/zinc/91/33/52/555913352.db2.gz JSJJZQZWNSPKFQ-RUZDIDTESA-N 0 1 477.678 4.875 50 0 JJAAMN O=C(NC1CCCC1)c1cc2cc(C3(O)CCN(Cc4cccn4-c4ccccn4)CC3)ccc2o1 ZINC000012152173 555925632 /nfs/dbraw/zinc/92/56/32/555925632.db2.gz KSQQVOKCXKUPPF-UHFFFAOYSA-N 0 1 484.600 4.775 50 0 JJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3ccco3)c3ccc(OC)cc3)n2)cc1 ZINC000012176655 555934390 /nfs/dbraw/zinc/93/43/90/555934390.db2.gz MZQVRSHMVKKMLY-OAQYLSRUSA-N 0 1 464.547 4.622 50 0 JJAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1ccccc1F ZINC000012212694 555943734 /nfs/dbraw/zinc/94/37/34/555943734.db2.gz DQCLTVVRKKGRSG-UHFFFAOYSA-N 0 1 463.578 4.902 50 0 JJAAMN Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000015727829 555966682 /nfs/dbraw/zinc/96/66/82/555966682.db2.gz SLVPXROECIHPDS-UHFFFAOYSA-N 0 1 482.028 4.735 50 0 JJAAMN CCOc1ccccc1OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022942511 555993133 /nfs/dbraw/zinc/99/31/33/555993133.db2.gz XNMUEGFNJHDXNJ-UHFFFAOYSA-N 0 1 460.618 4.888 50 0 JJAAMN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCN(CC)CC3)c2c1C ZINC000012533636 556005461 /nfs/dbraw/zinc/00/54/61/556005461.db2.gz VEQQPKDYZDEUNZ-UHFFFAOYSA-N 0 1 456.637 4.611 50 0 JJAAMN C[C@@H]1CCn2c3ccc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3nc2C1 ZINC000015786924 556006350 /nfs/dbraw/zinc/00/63/50/556006350.db2.gz DSJOYUCYQFLSID-GOSISDBHSA-N 0 1 451.014 4.914 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2OC)cc1 ZINC000012536132 556009017 /nfs/dbraw/zinc/00/90/17/556009017.db2.gz BRKAROMWYMQJNH-UHFFFAOYSA-N 0 1 492.956 4.868 50 0 JJAAMN COc1ccc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862037 556034740 /nfs/dbraw/zinc/03/47/40/556034740.db2.gz OTHUTUXEFFYKAX-UHFFFAOYSA-N 0 1 467.572 4.975 50 0 JJAAMN C[C@H](c1cccs1)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 ZINC000023374597 556050222 /nfs/dbraw/zinc/05/02/22/556050222.db2.gz LQKHTNMLNAJDGU-HXUWFJFHSA-N 0 1 481.637 4.900 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000015870656 556050567 /nfs/dbraw/zinc/05/05/67/556050567.db2.gz YPBMVWAERLAUNX-UHFFFAOYSA-N 0 1 455.967 4.821 50 0 JJAAMN CCn1c(CCc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nc2ccccc21 ZINC000015870588 556050646 /nfs/dbraw/zinc/05/06/46/556050646.db2.gz WAYWRVZSEDVFFX-UHFFFAOYSA-N 0 1 465.575 4.659 50 0 JJAAMN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000012568640 556069322 /nfs/dbraw/zinc/06/93/22/556069322.db2.gz PSWQTTSLNOQEOR-KRWDZBQOSA-N 0 1 457.559 4.694 50 0 JJAAMN COc1ccc(OCCSc2nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3o2)cc1 ZINC000012578707 556077655 /nfs/dbraw/zinc/07/76/55/556077655.db2.gz YTIOZVZKAIPCRU-UHFFFAOYSA-N 0 1 486.571 4.817 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCCOc3ccccc3F)nc2c1 ZINC000012578722 556077697 /nfs/dbraw/zinc/07/76/97/556077697.db2.gz JXQUGGBXVWEYEW-UHFFFAOYSA-N 0 1 474.535 4.947 50 0 JJAAMN CN1CCN(c2ccc(CNc3ncnc4scc(-c5ccc(Cl)cc5)c43)cn2)CC1 ZINC000023617825 556080282 /nfs/dbraw/zinc/08/02/82/556080282.db2.gz PNTOZCZSKCOULN-UHFFFAOYSA-N 0 1 450.999 4.771 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N12 ZINC000015988925 556101955 /nfs/dbraw/zinc/10/19/55/556101955.db2.gz OOBUXIVCQHBQNR-YIPGRGJBSA-N 0 1 466.512 4.778 50 0 JJAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2cccs2)C(=O)N1Cc1cccc(Cl)c1 ZINC000016534141 556142368 /nfs/dbraw/zinc/14/23/68/556142368.db2.gz MSVVTPCAQGUFQO-HMAPJEAMSA-N 0 1 490.972 4.977 50 0 JJAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C(C)C)cc2)C1 ZINC000016690073 556153064 /nfs/dbraw/zinc/15/30/64/556153064.db2.gz VKLMDXWHFCHUOJ-QUCCMNQESA-N 0 1 456.612 4.547 50 0 JJAAMN COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCN(c4ccc(F)cc4)CC3)cc2O)cc1 ZINC000024986861 556170098 /nfs/dbraw/zinc/17/00/98/556170098.db2.gz LQSCGRLGWZYUIY-UHFFFAOYSA-N 0 1 488.563 4.798 50 0 JJAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184479 556204071 /nfs/dbraw/zinc/20/40/71/556204071.db2.gz BEGNDCGQVPUYOS-IAPPQJPRSA-N 0 1 471.004 4.996 50 0 biogenic JJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCSC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185358 556204312 /nfs/dbraw/zinc/20/43/12/556204312.db2.gz WIDQGEBCSGTLEG-UTKZUKDTSA-N 0 1 462.358 4.581 50 0 JJAAMN Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000017041351 556208091 /nfs/dbraw/zinc/20/80/91/556208091.db2.gz JBOYMPCCFAFPMR-UHFFFAOYSA-N 0 1 454.602 4.634 50 0 JJAAMN COc1ccc(CN(CC(=O)Nc2ccccc2N2CCCC2=O)[C@H](C)Cc2cccs2)cc1 ZINC000013018607 556210557 /nfs/dbraw/zinc/21/05/57/556210557.db2.gz OAYFWBBZUXCTOV-HXUWFJFHSA-N 0 1 477.630 4.955 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C)c(C)c4)[nH]c(=O)c3sc2=S)c1 ZINC000017052762 556213715 /nfs/dbraw/zinc/21/37/15/556213715.db2.gz WJMVQEGZQMQCMQ-UHFFFAOYSA-N 0 1 484.628 4.861 50 0 JJAAMN Cc1cccc(C)c1N1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000026571205 556257008 /nfs/dbraw/zinc/25/70/08/556257008.db2.gz BDOBHVZIKMBDNF-QHCPKHFHSA-N 0 1 469.423 4.781 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2cccnc2SCc2c(C)noc2C)N2CCCC2)c1 ZINC000027343578 556276522 /nfs/dbraw/zinc/27/65/22/556276522.db2.gz WQMVHYXACWVYGT-QHCPKHFHSA-N 0 1 466.607 4.554 50 0 JJAAMN COc1cccc([C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)N2CCCC2)c1 ZINC000027341508 556276589 /nfs/dbraw/zinc/27/65/89/556276589.db2.gz FOEXGLQIRYNLRX-JOCHJYFZSA-N 0 1 456.011 4.968 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000018085227 556285517 /nfs/dbraw/zinc/28/55/17/556285517.db2.gz FUHUCYVVVBYMKK-DEOSSOPVSA-N 0 1 476.920 4.599 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)N(C)C)cc1OC ZINC000013101480 556301723 /nfs/dbraw/zinc/30/17/23/556301723.db2.gz UTLSZGBUVQXUDQ-VWLOTQADSA-N 0 1 484.600 4.898 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccccc3Cl)o2)NC(=O)N[C@]1(O)c1ccccc1)C(F)(F)F ZINC000027754206 556305954 /nfs/dbraw/zinc/30/59/54/556305954.db2.gz YESQCZAQANVCFK-OPYAIIAOSA-N 0 1 464.827 4.547 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000027754259 556306043 /nfs/dbraw/zinc/30/60/43/556306043.db2.gz GRNURWLLVAXAIO-DBXWQHBBSA-N 0 1 464.827 4.547 50 0 JJAAMN C[C@H]1C[C@H](C)CN(CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)C1 ZINC000013110932 556312035 /nfs/dbraw/zinc/31/20/35/556312035.db2.gz CEGAPRIZWVWVHJ-PMACEKPBSA-N 0 1 460.574 4.629 50 0 JJAAMN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000013120659 556333463 /nfs/dbraw/zinc/33/34/63/556333463.db2.gz SWICAPJSJSXYTB-HNNXBMFYSA-N 0 1 463.588 4.755 50 0 JJAAMN CCN1CCN(Cn2nc(-c3ccc(OC)cc3)n(-c3ccccc3C(C)C)c2=S)CC1 ZINC000019367602 556346127 /nfs/dbraw/zinc/34/61/27/556346127.db2.gz GWYFQAWBBAJGRE-UHFFFAOYSA-N 0 1 451.640 4.797 50 0 JJAAMN O=C(CSCc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1I ZINC000013128347 556347367 /nfs/dbraw/zinc/34/73/67/556347367.db2.gz DCQNBUVHXQFDCE-UHFFFAOYSA-N 0 1 457.724 4.693 50 0 JJAAMN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000029939413 556360390 /nfs/dbraw/zinc/36/03/90/556360390.db2.gz DTYNPUUAJNLONK-AKNQKSQZSA-N 0 1 467.573 4.884 50 0 JJAAMN COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@@H](c2cccs2)N(C)C)C1=O ZINC000019820045 556388873 /nfs/dbraw/zinc/38/88/73/556388873.db2.gz FXXGCUDXHXOTAF-PHJXOXRPSA-N 0 1 482.005 4.831 50 0 JJAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032097231 556415909 /nfs/dbraw/zinc/41/59/09/556415909.db2.gz CKABTKDRZYRLQH-LJQANCHMSA-N 0 1 497.315 4.682 50 0 JJAAMN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032103093 556417215 /nfs/dbraw/zinc/41/72/15/556417215.db2.gz VDTJCDVYIGGJRX-IBGZPJMESA-N 0 1 452.864 4.573 50 0 JJAAMN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)cc1 ZINC000032623124 556453084 /nfs/dbraw/zinc/45/30/84/556453084.db2.gz SSBQPVBBYKLQJA-HSZRJFAPSA-N 0 1 461.562 4.632 50 0 JJAAMN C[C@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)c1ccc2c(c1)OCCCO2 ZINC000032742150 556481863 /nfs/dbraw/zinc/48/18/63/556481863.db2.gz INKROXFEFAAXHK-KRWDZBQOSA-N 0 1 467.591 4.658 50 0 JJAAMN O=C([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000032946708 556561650 /nfs/dbraw/zinc/56/16/50/556561650.db2.gz AHXZHQVCTIILQW-UHFFFAOYSA-N 0 1 467.928 4.752 50 0 JJAAMN Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)cc1 ZINC000032948433 556563734 /nfs/dbraw/zinc/56/37/34/556563734.db2.gz REKZHUIDTIEYKT-UHFFFAOYSA-N 0 1 468.629 4.942 50 0 JJAAMN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)NCCc1ccc(Cl)cc1 ZINC000032948567 556564269 /nfs/dbraw/zinc/56/42/69/556564269.db2.gz QBINKPAIFSKWMW-UHFFFAOYSA-N 0 1 489.047 4.609 50 0 JJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)c1 ZINC000032953193 556568475 /nfs/dbraw/zinc/56/84/75/556568475.db2.gz LKPIEZPSHSHKMT-UHFFFAOYSA-N 0 1 479.628 4.856 50 0 JJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Br)c2)N1Cc1ccncc1 ZINC000008606650 562946820 /nfs/dbraw/zinc/94/68/20/562946820.db2.gz ODCVDNCAVKLLFI-QFIPXVFZSA-N 0 1 461.319 4.685 50 0 JJAAMN O=C(NCCc1c[nH]c2ccccc12)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000008671990 562949825 /nfs/dbraw/zinc/94/98/25/562949825.db2.gz RAGPHPKLMUQNPU-UHFFFAOYSA-N 0 1 460.603 4.706 50 0 JJAAMN Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N(C)Cc4n[nH]c5c4CCCC5)cc3)c2)c(C)c1 ZINC000011911609 562957888 /nfs/dbraw/zinc/95/78/88/562957888.db2.gz YTQOYLCRBZQVRI-UHFFFAOYSA-N 0 1 482.588 4.616 50 0 JJAAMN COc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008720268 569597973 /nfs/dbraw/zinc/59/79/73/569597973.db2.gz QXVNWLFRBZBEDO-UHFFFAOYSA-N 0 1 457.527 4.641 50 0 JJAAMN COC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000062621108 569613481 /nfs/dbraw/zinc/61/34/81/569613481.db2.gz KZWGEWRKWLATDQ-HXUWFJFHSA-N 0 1 479.385 4.912 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000064557900 569618247 /nfs/dbraw/zinc/61/82/47/569618247.db2.gz YAFVAEAAXGTALL-HSZRJFAPSA-N 0 1 491.565 4.757 50 0 JJAAMN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000064558209 569618593 /nfs/dbraw/zinc/61/85/93/569618593.db2.gz XFBVOIQHPCEUGG-HSZRJFAPSA-N 0 1 491.565 4.675 50 0 JJAAMN Cc1cc(C)cc(S(=O)(=O)Nc2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1 ZINC000064580865 569620730 /nfs/dbraw/zinc/62/07/30/569620730.db2.gz IOFXKTSSAHHEJK-UHFFFAOYSA-N 0 1 471.579 4.585 50 0 JJAAMN Cn1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000064580858 569620758 /nfs/dbraw/zinc/62/07/58/569620758.db2.gz WHYDIGJWJPXDPH-UHFFFAOYSA-N 0 1 477.970 4.622 50 0 JJAAMN COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(C(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000064591917 569622159 /nfs/dbraw/zinc/62/21/59/569622159.db2.gz NEVZMMQHGKGNEL-UHFFFAOYSA-N 0 1 481.574 4.602 50 0 JJAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(O)c(OC)c4)c3NC3CCCCCC3)s2)CC1 ZINC000064746081 569625228 /nfs/dbraw/zinc/62/52/28/569625228.db2.gz UZBCYDBLXDAYKJ-UHFFFAOYSA-N 0 1 484.670 4.839 50 0 JJAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862276 569639590 /nfs/dbraw/zinc/63/95/90/569639590.db2.gz XUDLWGMEFHUOJE-UHFFFAOYSA-N 0 1 463.987 4.554 50 0 JJAAMN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681759 569643613 /nfs/dbraw/zinc/64/36/13/569643613.db2.gz FQMUEDPWYSTVMT-UHFFFAOYSA-N 0 1 468.523 4.994 50 0 JJAAMN Nc1c(NC(=O)N2CCN(C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1Cl ZINC000034785065 569659282 /nfs/dbraw/zinc/65/92/82/569659282.db2.gz UCLWURQXAJVSKD-UHFFFAOYSA-N 0 1 465.001 4.867 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)CC(C)(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831332 569664210 /nfs/dbraw/zinc/66/42/10/569664210.db2.gz QPBBVRCXNKIHBP-UHFFFAOYSA-N 0 1 471.665 4.883 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)Cc3ccc(F)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831310 569664226 /nfs/dbraw/zinc/66/42/26/569664226.db2.gz MZCUISUOTXIBLJ-UHFFFAOYSA-N 0 1 495.618 4.581 50 0 JJAAMN CCCCNC(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034832208 569664486 /nfs/dbraw/zinc/66/44/86/569664486.db2.gz KQGMTIMKRPCHAR-UHFFFAOYSA-N 0 1 468.690 4.680 50 0 JJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)CCC1CCCC1 ZINC000034834359 569664754 /nfs/dbraw/zinc/66/47/54/569664754.db2.gz OXUZXYVFMIKUFM-UHFFFAOYSA-N 0 1 465.686 4.888 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000065116364 569666326 /nfs/dbraw/zinc/66/63/26/569666326.db2.gz CNAPPQQJVOGWIO-UHFFFAOYSA-N 0 1 463.943 4.634 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137507 569668378 /nfs/dbraw/zinc/66/83/78/569668378.db2.gz YCHSPYHTGHWBNS-UHFFFAOYSA-N 0 1 472.636 4.501 50 0 JJAAMN Cc1c(=O)c2cccc(C(=O)N3CCC(c4n[nH]c(C5CC5)n4)CC3)c2oc1-c1ccccc1 ZINC000065535770 569675847 /nfs/dbraw/zinc/67/58/47/569675847.db2.gz NIUPNUNBPQKBSP-UHFFFAOYSA-N 0 1 454.530 4.784 50 0 JJAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000035372862 569683339 /nfs/dbraw/zinc/68/33/39/569683339.db2.gz VHODZKNDSUZERR-UHFFFAOYSA-N 0 1 471.026 4.652 50 0 JJAAMN COCC(=O)Nc1ccc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422745 569692811 /nfs/dbraw/zinc/69/28/11/569692811.db2.gz KXICMIRQJQZBHW-SANMLTNESA-N 0 1 493.991 4.535 50 0 JJAAMN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)OC(C(=O)c2cccs2)c2cccs2)C1 ZINC000069375486 569692844 /nfs/dbraw/zinc/69/28/44/569692844.db2.gz SUTSSHQGTQNDJR-HOYKHHGWSA-N 0 1 483.611 4.985 50 0 JJAAMN CCC(=O)Nc1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000035422751 569692860 /nfs/dbraw/zinc/69/28/60/569692860.db2.gz FGJFJTWIZTWPPM-UHFFFAOYSA-N 0 1 479.527 4.923 50 0 JJAAMN COc1ccc(CCOc2ccc([C@@H]3CC(=O)Nc4c3c(C)nn4-c3ncnc4[nH]cnc43)cc2)cc1 ZINC000072403281 569703755 /nfs/dbraw/zinc/70/37/55/569703755.db2.gz FUASGDQUUDSSDH-NRFANRHFSA-N 0 1 495.543 4.601 50 0 JJAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)C2CCC2)s1 ZINC000035808258 569711972 /nfs/dbraw/zinc/71/19/72/569711972.db2.gz LNTAGPJLMQOUFK-UHFFFAOYSA-N 0 1 485.669 4.839 50 0 JJAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)C2CCCC2)o1 ZINC000035809329 569712308 /nfs/dbraw/zinc/71/23/08/569712308.db2.gz GBDWNKHFRGZFGW-UHFFFAOYSA-N 0 1 479.665 4.664 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CCSC)N[C@]12C(=O)Nc1c2cccc1Cl ZINC000035828277 569712727 /nfs/dbraw/zinc/71/27/27/569712727.db2.gz RYEKETHKBNLDFV-OXDBHQQFSA-N 0 1 480.417 4.519 50 0 JJAAMN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000085664723 569714797 /nfs/dbraw/zinc/71/47/97/569714797.db2.gz ORYSAACXYHMNCV-UHFFFAOYSA-N 0 1 455.527 4.800 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000035848462 569716210 /nfs/dbraw/zinc/71/62/10/569716210.db2.gz HFMMCFRSDDRWCH-PAHOUZJPSA-N 0 1 470.475 4.527 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccc(C)cc3[nH]2)no1 ZINC000095481933 569724853 /nfs/dbraw/zinc/72/48/53/569724853.db2.gz HHWHOZFALAJQBL-UHFFFAOYSA-N 0 1 457.943 4.780 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000095548385 569727439 /nfs/dbraw/zinc/72/74/39/569727439.db2.gz LCGRMVSERXJXSR-UHFFFAOYSA-N 0 1 473.665 4.550 50 0 JJAAMN CCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 ZINC000096211037 569738197 /nfs/dbraw/zinc/73/81/97/569738197.db2.gz RDEHFUGJDDWVLU-UHFFFAOYSA-N 0 1 493.677 4.632 50 0 JJAAMN CCCCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313832 569761201 /nfs/dbraw/zinc/76/12/01/569761201.db2.gz JZLDXXRAIQEOEP-QHCPKHFHSA-N 0 1 485.600 4.645 50 0 JJAAMN CCCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313943 569761540 /nfs/dbraw/zinc/76/15/40/569761540.db2.gz YYCLNHPXEHMKHG-QFIPXVFZSA-N 0 1 467.610 4.888 50 0 JJAAMN CCCCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036313961 569761551 /nfs/dbraw/zinc/76/15/51/569761551.db2.gz MZRPBXXRJOLCOJ-XMMPIXPASA-N 0 1 481.637 4.814 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC ZINC000036346672 569770636 /nfs/dbraw/zinc/77/06/36/569770636.db2.gz QKTSHMOZZUXPFN-JOCHJYFZSA-N 0 1 459.537 4.861 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC ZINC000036346765 569770835 /nfs/dbraw/zinc/77/08/35/569770835.db2.gz FGXFKHKIMRDNLO-QFIPXVFZSA-N 0 1 459.537 4.861 50 0 JJAAMN COc1cccc([C@@H](CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)N2CCCC2)c1 ZINC000036674184 569779917 /nfs/dbraw/zinc/77/99/17/569779917.db2.gz PZPAGXCEKODFHC-RUZDIDTESA-N 0 1 490.600 4.858 50 0 JJAAMN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101028253 569779955 /nfs/dbraw/zinc/77/99/55/569779955.db2.gz LAPBPRQUNKXYNB-BDTNDASRSA-N 0 1 497.334 4.831 50 0 JJAAMN CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000101061258 569780799 /nfs/dbraw/zinc/78/07/99/569780799.db2.gz HDYCTHYOSPQWPJ-OCOZRVBESA-N 0 1 459.590 4.873 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000101151109 569784703 /nfs/dbraw/zinc/78/47/03/569784703.db2.gz RMYQZKPQVRPYLQ-SMIHKQSGSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1cccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000037570705 569795921 /nfs/dbraw/zinc/79/59/21/569795921.db2.gz NIUWCPLLGISXJY-UHFFFAOYSA-N 0 1 454.567 4.694 50 0 JJAAMN Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000037587465 569796742 /nfs/dbraw/zinc/79/67/42/569796742.db2.gz UQONCJHLYQVPGB-UHFFFAOYSA-N 0 1 464.587 4.584 50 0 JJAAMN Cc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1O ZINC000101766784 569804660 /nfs/dbraw/zinc/80/46/60/569804660.db2.gz DNCXBTSBGAYMFU-HSZRJFAPSA-N 0 1 499.548 4.626 50 0 JJAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@H](c2ccc(O)cc2)C1 ZINC000101766872 569805083 /nfs/dbraw/zinc/80/50/83/569805083.db2.gz UMSIGVHAPCUAOE-NRFANRHFSA-N 0 1 491.956 4.948 50 0 JJAAMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000040149611 569819132 /nfs/dbraw/zinc/81/91/32/569819132.db2.gz JCYNDXWYQXBITL-INIZCTEOSA-N 0 1 481.394 4.675 50 0 JJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1O ZINC000102754788 569821327 /nfs/dbraw/zinc/82/13/27/569821327.db2.gz DATOMUUNBYGINO-YPAWHYETSA-N 0 1 485.323 4.759 50 0 JJAAMN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cc(C)c(Cl)cc1OC ZINC000045900685 569840228 /nfs/dbraw/zinc/84/02/28/569840228.db2.gz NSGRQURPDDXIHN-UHFFFAOYSA-N 0 1 488.009 4.649 50 0 JJAAMN Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC23CCCCC3)cc1 ZINC000104796285 569846367 /nfs/dbraw/zinc/84/63/67/569846367.db2.gz HTTKUAUQGQVBGE-GIFXNVAJSA-N 0 1 484.754 4.631 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983052 569848065 /nfs/dbraw/zinc/84/80/65/569848065.db2.gz AGJKXWSYWWOTJH-ISKFKSNPSA-N 0 1 454.954 4.506 50 0 JJAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983640 569848169 /nfs/dbraw/zinc/84/81/69/569848169.db2.gz CUZFNRYZTOZFNS-WOJBJXKFSA-N 0 1 497.394 4.832 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984050 569848395 /nfs/dbraw/zinc/84/83/95/569848395.db2.gz FCLDFVNKIDREPH-ISKFKSNPSA-N 0 1 454.954 4.506 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984393 569848448 /nfs/dbraw/zinc/84/84/48/569848448.db2.gz PBUHDAYBEHVKPZ-WOJBJXKFSA-N 0 1 451.394 4.775 50 0 JJAAMN Cc1cccc(Oc2c(CN(C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003253 569849135 /nfs/dbraw/zinc/84/91/35/569849135.db2.gz XWOOFBOABZCMQQ-RSXGOPAZSA-N 0 1 493.648 4.955 50 0 JJAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000138610319 569866039 /nfs/dbraw/zinc/86/60/39/569866039.db2.gz VGXXSSLSPZIDOU-YTFSRNRJSA-N 0 1 455.901 4.939 50 0 JJAAMN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000169677620 569868835 /nfs/dbraw/zinc/86/88/35/569868835.db2.gz YKBSAKYVPVDQGO-XNMGPUDCSA-N 0 1 495.019 4.922 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678649 569869166 /nfs/dbraw/zinc/86/91/66/569869166.db2.gz JNOZEOYPSPQZGZ-RSXGOPAZSA-N 0 1 479.546 4.885 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169678649 569869167 /nfs/dbraw/zinc/86/91/67/569869167.db2.gz JNOZEOYPSPQZGZ-RSXGOPAZSA-N 0 1 479.546 4.885 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000226837879 570038799 /nfs/dbraw/zinc/03/87/99/570038799.db2.gz GFCNEFJUJNWCDF-OSSDZZHWSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@@H]3C2=O)c1 ZINC000229981354 570043056 /nfs/dbraw/zinc/04/30/56/570043056.db2.gz NXNRZMZYTUWXGY-JIMJEQGWSA-N 0 1 450.494 4.900 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129855 570045410 /nfs/dbraw/zinc/04/54/10/570045410.db2.gz ZUOSWMRSYAMCFH-BDYUSTAISA-N 0 1 494.010 4.667 50 0 JJAAMN CCOC(=O)C1C(CN2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245257911 570060835 /nfs/dbraw/zinc/06/08/35/570060835.db2.gz HMIFGEBAMWSFOP-GJZUVCINSA-N 0 1 477.605 4.525 50 0 JJAAMN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281487 570062240 /nfs/dbraw/zinc/06/22/40/570062240.db2.gz ZVMZHNFDDRTYME-AZGAKELHSA-N 0 1 493.648 4.894 50 0 JJAAMN O=C([O-])c1ccc(C[NH2+]Cc2nn(Cc3ccc(F)cc3Cl)nc2-c2ccccc2)cc1 ZINC000247382536 570067972 /nfs/dbraw/zinc/06/79/72/570067972.db2.gz JOKUGQJQJLLHHI-UHFFFAOYSA-N 0 1 450.901 4.774 50 0 JJAAMN O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247499994 570068378 /nfs/dbraw/zinc/06/83/78/570068378.db2.gz PMTHPTRFZIRITQ-QFIPXVFZSA-N 0 1 456.565 4.736 50 0 JJAAMN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000247746897 570069165 /nfs/dbraw/zinc/06/91/65/570069165.db2.gz REIKCLCKTQUTHI-RBBKRZOGSA-N 0 1 463.931 4.501 50 0 JJAAMN O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2C(O)=C(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000247797947 570069560 /nfs/dbraw/zinc/06/95/60/570069560.db2.gz DKCIDPGDSNGZMM-MRKXFKPJSA-N 0 1 499.364 4.573 50 0 JJAAMN 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ZINC000248107342 570074051 /nfs/dbraw/zinc/07/40/51/570074051.db2.gz PNKCHSXWLUQKDV-UZUQRXQVSA-N 0 1 455.986 4.909 50 0 JJAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248163902 570075808 /nfs/dbraw/zinc/07/58/08/570075808.db2.gz NFQSQMGKUXEMMV-DEOSSOPVSA-N 0 1 473.665 4.740 50 0 JJAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248163902 570075809 /nfs/dbraw/zinc/07/58/09/570075809.db2.gz NFQSQMGKUXEMMV-DEOSSOPVSA-N 0 1 473.665 4.740 50 0 JJAAMN CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248249479 570076789 /nfs/dbraw/zinc/07/67/89/570076789.db2.gz LKECGOVLBMCEOI-GOSISDBHSA-N 0 1 469.427 4.868 50 0 JJAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248249479 570076790 /nfs/dbraw/zinc/07/67/90/570076790.db2.gz LKECGOVLBMCEOI-GOSISDBHSA-N 0 1 469.427 4.868 50 0 JJAAMN CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248277528 570077464 /nfs/dbraw/zinc/07/74/64/570077464.db2.gz 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ZINC000014092916 555685503 /nfs/dbraw/zinc/68/55/03/555685503.db2.gz GQQLBIVMSYADBB-JOCHJYFZSA-N 0 1 496.585 4.615 50 0 JJAAMN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000014094252 555686438 /nfs/dbraw/zinc/68/64/38/555686438.db2.gz QIKKGHUHGBQHSI-DEOSSOPVSA-N 0 1 456.546 4.708 50 0 JJAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214071 555708579 /nfs/dbraw/zinc/70/85/79/555708579.db2.gz KDZDYKXCWONVTE-JOCHJYFZSA-N 0 1 457.958 4.549 50 0 JJAAMN CC(C)[C@@H](NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccs1 ZINC000011323389 555772487 /nfs/dbraw/zinc/77/24/87/555772487.db2.gz ZJDHTAARHCINTG-MRXNPFEDSA-N 0 1 451.415 4.901 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000020330603 555775938 /nfs/dbraw/zinc/77/59/38/555775938.db2.gz RDLUGJNKDAMSCG-IBGZPJMESA-N 0 1 462.575 4.523 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4c5ccccc5C[C@@H]4C)c3=O)c2c1 ZINC000020331655 555776964 /nfs/dbraw/zinc/77/69/64/555776964.db2.gz CHXFSACBXMMUSI-HNNXBMFYSA-N 0 1 462.575 4.697 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000014342883 555795447 /nfs/dbraw/zinc/79/54/47/555795447.db2.gz CSQYSRVJMYXXJZ-UHFFFAOYSA-N 0 1 499.932 4.762 50 0 JJAAMN Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000014361228 555799254 /nfs/dbraw/zinc/79/92/54/555799254.db2.gz NDYXMAXJABCBDU-UHFFFAOYSA-N 0 1 496.960 4.643 50 0 JJAAMN O=c1c(CNCc2ccc3c(c2)OCO3)cc2ccc(F)cc2n1Cc1ccccc1Cl ZINC000011784212 555815840 /nfs/dbraw/zinc/81/58/40/555815840.db2.gz FFRAEHNCCZTEQY-UHFFFAOYSA-N 0 1 450.897 4.861 50 0 JJAAMN CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3[nH]nc4ccccc43)CC2)[C@H]1OCc1ccccc1 ZINC000011841871 555834494 /nfs/dbraw/zinc/83/44/94/555834494.db2.gz NOLZANKMZLZUCN-IAPPQJPRSA-N 0 1 494.595 4.513 50 0 JJAAMN c1ccc(Cn2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011910359 555857756 /nfs/dbraw/zinc/85/77/56/555857756.db2.gz GTLJUZLOPCPVOM-HSZRJFAPSA-N 0 1 492.645 4.706 50 0 JJAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(CC2=Cc3cccc(OC)c3OC2)CC1 ZINC000011955238 555869899 /nfs/dbraw/zinc/86/98/99/555869899.db2.gz GHMHVNDMUJVITG-UHFFFAOYSA-N 0 1 451.563 4.585 50 0 JJAAMN COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000015074131 555872047 /nfs/dbraw/zinc/87/20/47/555872047.db2.gz LYAZMPSHOXKQOO-GOSISDBHSA-N 0 1 451.954 4.950 50 0 JJAAMN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C/C=C/c2ccccc2)CC3)c1 ZINC000012041556 555894099 /nfs/dbraw/zinc/89/40/99/555894099.db2.gz LZGITJZZKNWHHW-MLYOZINFSA-N 0 1 471.649 4.984 50 0 JJAAMN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN(C)[C@H]1CCCc2ccccc21 ZINC000015404758 555904249 /nfs/dbraw/zinc/90/42/49/555904249.db2.gz KNQAZSXAJPAFRF-DEOSSOPVSA-N 0 1 473.573 4.904 50 0 JJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 ZINC000012150599 555922803 /nfs/dbraw/zinc/92/28/03/555922803.db2.gz DNFYWVRQRKVMTR-AREMUKBSSA-N 0 1 453.542 4.778 50 0 JJAAMN COc1ccc(-c2c(C)oc3cc(OCCN4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000022854519 555960875 /nfs/dbraw/zinc/96/08/75/555960875.db2.gz DSOPMDVZPUBNOM-UHFFFAOYSA-N 0 1 484.596 4.974 50 0 JJAAMN S=c1n(CN2CCN(Cc3cccc4cccnc43)CC2)nc(C2CC2)n1Cc1ccccc1 ZINC000022912089 555967501 /nfs/dbraw/zinc/96/75/01/555967501.db2.gz QTJGDZFPEUZHER-UHFFFAOYSA-N 0 1 470.646 4.663 50 0 JJAAMN Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000015729680 555970347 /nfs/dbraw/zinc/97/03/47/555970347.db2.gz LGIOHYCTJBBQKX-UHFFFAOYSA-N 0 1 490.995 4.526 50 0 JJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000022918449 555972465 /nfs/dbraw/zinc/97/24/65/555972465.db2.gz CWVSUTAKSONNRH-UHFFFAOYSA-N 0 1 482.397 4.934 50 0 JJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2)c1 ZINC000012521120 555992284 /nfs/dbraw/zinc/99/22/84/555992284.db2.gz PAXZIKXXXUIJET-QHCPKHFHSA-N 0 1 481.618 4.654 50 0 JJAAMN COc1ccc(NC(=O)Cc2cccc3ccccc32)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012532599 556003381 /nfs/dbraw/zinc/00/33/81/556003381.db2.gz DUNFWORFPIXWAB-UHFFFAOYSA-N 0 1 464.518 4.970 50 0 JJAAMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000012540282 556013961 /nfs/dbraw/zinc/01/39/61/556013961.db2.gz FGXCTOGPMWLOIZ-NBGIEHNGSA-N 0 1 474.022 4.944 50 0 JJAAMN COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3c2=O)cc1 ZINC000023143976 556022679 /nfs/dbraw/zinc/02/26/79/556022679.db2.gz FPFZIOUZFDHOTB-UHFFFAOYSA-N 0 1 490.368 4.810 50 0 JJAAMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000023224741 556032520 /nfs/dbraw/zinc/03/25/20/556032520.db2.gz BVJOHWYSWUXNQA-HSZRJFAPSA-N 0 1 461.046 4.524 50 0 JJAAMN COc1cc(OC)cc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000015862022 556034546 /nfs/dbraw/zinc/03/45/46/556034546.db2.gz XTCCFCWKDMCQBA-UHFFFAOYSA-N 0 1 497.598 4.983 50 0 JJAAMN O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1 ZINC000012557202 556044699 /nfs/dbraw/zinc/04/46/99/556044699.db2.gz RKKNVDLZIOWHEZ-UHFFFAOYSA-N 0 1 456.490 4.595 50 0 JJAAMN O=C(c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)[nH]n2)cc1)N1CCC(C(F)(F)F)CC1 ZINC000023424683 556052781 /nfs/dbraw/zinc/05/27/81/556052781.db2.gz KMZNKYAOPXJWSZ-UHFFFAOYSA-N 0 1 457.452 4.929 50 0 JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(OC)cc4)cc2)N3)C1 ZINC000015947420 556085470 /nfs/dbraw/zinc/08/54/70/556085470.db2.gz VCNQZWSXROPYAL-JOCHJYFZSA-N 0 1 463.559 4.783 50 0 JJAAMN Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)c1C ZINC000012738177 556106790 /nfs/dbraw/zinc/10/67/90/556106790.db2.gz JAKPQFWRCBLDHF-AREMUKBSSA-N 0 1 477.630 4.671 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(C)cc3)ccc2Cl)cc1 ZINC000024635703 556143228 /nfs/dbraw/zinc/14/32/28/556143228.db2.gz GXXHCCRMPSJCLR-UHFFFAOYSA-N 0 1 458.967 4.730 50 0 JJAAMN CCOc1cc2c(cc1CNC(=O)CCCCCn1c(=O)c3ccccc3[nH]c1=S)O[C@H](C)C2 ZINC000024646679 556143603 /nfs/dbraw/zinc/14/36/03/556143603.db2.gz JZRJGMDTSQVESC-QGZVFWFLSA-N 0 1 481.618 4.658 50 0 JJAAMN CCCc1ccc([C@H](NCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C(C)C)cc1 ZINC000024746272 556147723 /nfs/dbraw/zinc/14/77/23/556147723.db2.gz LYKIDYPBRORONY-RUZDIDTESA-N 0 1 456.656 4.746 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017010237 556199690 /nfs/dbraw/zinc/19/96/90/556199690.db2.gz DRWCQAUIQXYCLK-UHFFFAOYSA-N 0 1 450.560 4.706 50 0 JJAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184487 556203982 /nfs/dbraw/zinc/20/39/82/556203982.db2.gz BEGNDCGQVPUYOS-IXCJQBJRSA-N 0 1 471.004 4.996 50 0 biogenic JJAAMN Cc1cccc(C)c1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000017135772 556223204 /nfs/dbraw/zinc/22/32/04/556223204.db2.gz SLECXJGZZKNUEJ-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013040195 556242660 /nfs/dbraw/zinc/24/26/60/556242660.db2.gz HNKBODPIFBKZAM-SFHVURJKSA-N 0 1 464.031 4.502 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1 ZINC000017246082 556246302 /nfs/dbraw/zinc/24/63/02/556246302.db2.gz BBIYSHNILSHIGA-UHFFFAOYSA-N 0 1 472.998 4.843 50 0 JJAAMN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000017334500 556259019 /nfs/dbraw/zinc/25/90/19/556259019.db2.gz ZMFABJNTXAARIP-UHFFFAOYSA-N 0 1 489.391 4.531 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000017859518 556269088 /nfs/dbraw/zinc/26/90/88/556269088.db2.gz PCGMEDOSPGFPJK-BDTNDASRSA-N 0 1 452.869 4.539 50 0 JJAAMN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)oc2cc(C)cc(C)c12 ZINC000027579459 556299972 /nfs/dbraw/zinc/29/99/72/556299972.db2.gz BZUSBBZFFOASKP-UHFFFAOYSA-N 0 1 450.520 4.510 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000013109999 556310351 /nfs/dbraw/zinc/31/03/51/556310351.db2.gz CFAHYCPVFYZCFO-FQEVSTJZSA-N 0 1 459.531 4.543 50 0 JJAAMN Cn1c2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000028049154 556313860 /nfs/dbraw/zinc/31/38/60/556313860.db2.gz DKBSRBUTWCOFJB-UHFFFAOYSA-N 0 1 477.970 4.622 50 0 JJAAMN CN(C)[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028290115 556328314 /nfs/dbraw/zinc/32/83/14/556328314.db2.gz OLUKORBEULFVKO-IBGZPJMESA-N 0 1 471.395 4.886 50 0 JJAAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028291773 556328587 /nfs/dbraw/zinc/32/85/87/556328587.db2.gz RAIRKJIOJPWFIT-LJQANCHMSA-N 0 1 455.352 4.513 50 0 JJAAMN Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)n2)cc1C ZINC000028292763 556329305 /nfs/dbraw/zinc/32/93/05/556329305.db2.gz YMIYBIWFTWRLDF-VWLOTQADSA-N 0 1 472.633 4.714 50 0 JJAAMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000029621761 556354159 /nfs/dbraw/zinc/35/41/59/556354159.db2.gz IWROOOXEADBYEB-LJQANCHMSA-N 0 1 456.612 4.545 50 0 JJAAMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000029621761 556354162 /nfs/dbraw/zinc/35/41/62/556354162.db2.gz IWROOOXEADBYEB-LJQANCHMSA-N 0 1 456.612 4.545 50 0 JJAAMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029621763 556354249 /nfs/dbraw/zinc/35/42/49/556354249.db2.gz IWROOOXEADBYEB-IBGZPJMESA-N 0 1 456.612 4.545 50 0 JJAAMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029621763 556354250 /nfs/dbraw/zinc/35/42/50/556354250.db2.gz IWROOOXEADBYEB-IBGZPJMESA-N 0 1 456.612 4.545 50 0 JJAAMN O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000029956577 556360865 /nfs/dbraw/zinc/36/08/65/556360865.db2.gz PQZIJJOHEHFXNA-RBBKRZOGSA-N 0 1 480.446 4.577 50 0 JJAAMN CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019731417 556362581 /nfs/dbraw/zinc/36/25/81/556362581.db2.gz AZTSXZWNCJZIFG-UHFFFAOYSA-N 0 1 491.639 4.573 50 0 JJAAMN CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c1 ZINC000030580888 556367404 /nfs/dbraw/zinc/36/74/04/556367404.db2.gz JAUCREKYPCQSFV-UHFFFAOYSA-N 0 1 457.939 4.660 50 0 JJAAMN Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C(=O)NCC(F)(F)F)cc3)C3CC3)n[nH]2)s1 ZINC000031909296 556411080 /nfs/dbraw/zinc/41/10/80/556411080.db2.gz WONNPSKFQLWHIZ-UHFFFAOYSA-N 0 1 462.497 4.544 50 0 JJAAMN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000032101104 556416732 /nfs/dbraw/zinc/41/67/32/556416732.db2.gz VXQSREYWOPECFX-RUZDIDTESA-N 0 1 461.587 4.752 50 0 JJAAMN CCN(CC)c1ccc(-c2nn(CN3CCN(CC)CC3)c(=S)n2-c2ccccc2C)cc1 ZINC000032506336 556439686 /nfs/dbraw/zinc/43/96/86/556439686.db2.gz IUYGRHNDSKAZAJ-UHFFFAOYSA-N 0 1 464.683 4.820 50 0 JJAAMN CC(C)(C)c1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCC2)cc1 ZINC000032624592 556454516 /nfs/dbraw/zinc/45/45/16/556454516.db2.gz IZMJRVOUJJZEMC-QGZVFWFLSA-N 0 1 468.648 4.637 50 0 JJAAMN CC(=O)c1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[nH]2)c1 ZINC000032948642 556564599 /nfs/dbraw/zinc/56/45/99/556564599.db2.gz VQLYYWZTASGFFS-UHFFFAOYSA-N 0 1 482.612 4.747 50 0 JJAAMN Cc1ccc2nc(CCc3ccc(NC(=O)CCCN4C(=O)c5ccccc5C4=O)cc3)[nH]c2c1 ZINC000032960995 556577505 /nfs/dbraw/zinc/57/75/05/556577505.db2.gz DIBRPFUBQCDIDE-UHFFFAOYSA-N 0 1 466.541 4.671 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595794 562944168 /nfs/dbraw/zinc/94/41/68/562944168.db2.gz GEOPKSGLHGUJHX-DEOSSOPVSA-N 0 1 473.485 4.613 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000008606629 562946881 /nfs/dbraw/zinc/94/68/81/562946881.db2.gz SGCUPXMJSLDCTI-VWLOTQADSA-N 0 1 489.528 4.763 50 0 JJAAMN COc1ccc(CN2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c(F)c1 ZINC000012026576 562958589 /nfs/dbraw/zinc/95/85/89/562958589.db2.gz KLPUBMFRKWLBCU-UHFFFAOYSA-N 0 1 477.580 4.667 50 0 JJAAMN Clc1ccccc1Cn1ncc2c1ncnc2N1CCN(CCOc2cccc3ccccc32)CC1 ZINC000054274577 569589617 /nfs/dbraw/zinc/58/96/17/569589617.db2.gz VLCMJOWWIZUYPG-UHFFFAOYSA-N 0 1 499.018 4.882 50 0 JJAAMN CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000055100362 569590849 /nfs/dbraw/zinc/59/08/49/569590849.db2.gz XGSKDVKGWXDJJW-RPBOFIJWSA-N 0 1 473.598 4.923 50 0 JJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000008695481 569593550 /nfs/dbraw/zinc/59/35/50/569593550.db2.gz QCIYVZIAYZGTKY-KCWPFWIISA-N 0 1 486.959 4.701 50 0 JJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000057222870 569594769 /nfs/dbraw/zinc/59/47/69/569594769.db2.gz GYSXKTWFMZIXGM-UHFFFAOYSA-N 0 1 487.600 4.835 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(-n4cccc4)c3)ccc2OC)cc1 ZINC000008710346 569595694 /nfs/dbraw/zinc/59/56/94/569595694.db2.gz RDSXDIBHDSNSCB-UHFFFAOYSA-N 0 1 477.542 4.548 50 0 JJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000057312346 569596311 /nfs/dbraw/zinc/59/63/11/569596311.db2.gz VNMKUMKJCYJSLF-INIZCTEOSA-N 0 1 452.352 4.991 50 0 JJAAMN COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063486013 569615327 /nfs/dbraw/zinc/61/53/27/569615327.db2.gz PIBMXFDXGRREMR-UHFFFAOYSA-N 0 1 491.039 4.909 50 0 JJAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(-c3noc(C4CCCCC4)n3)c2)c1 ZINC000033013485 569617644 /nfs/dbraw/zinc/61/76/44/569617644.db2.gz LISSLGQFHKDVEL-UHFFFAOYSA-N 0 1 473.551 4.611 50 0 JJAAMN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[nH]1)C(=O)Nc1ccc(C)c(C)c1 ZINC000064579524 569620419 /nfs/dbraw/zinc/62/04/19/569620419.db2.gz BVEALZMOLABXQE-IBGZPJMESA-N 0 1 485.631 4.758 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[nH]c2=O)cc1 ZINC000064591975 569622147 /nfs/dbraw/zinc/62/21/47/569622147.db2.gz RVASZQFFTULVKT-UHFFFAOYSA-N 0 1 485.631 4.705 50 0 JJAAMN COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(Cl)cc4)CC3)nc2)c1 ZINC000034681793 569643594 /nfs/dbraw/zinc/64/35/94/569643594.db2.gz DLDGRHXYYJPGIC-UHFFFAOYSA-N 0 1 450.970 4.708 50 0 JJAAMN O=C(COc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000034681998 569643713 /nfs/dbraw/zinc/64/37/13/569643713.db2.gz OIJKUBUIPXHDII-UHFFFAOYSA-N 0 1 484.522 4.830 50 0 JJAAMN COc1cc(NC(=O)Nc2ccc(N3CCCN(Cc4ccc(F)cc4)CC3)nc2)cc(OC)c1 ZINC000034682132 569643784 /nfs/dbraw/zinc/64/37/84/569643784.db2.gz CTMZQXBXBJMELJ-UHFFFAOYSA-N 0 1 479.556 4.594 50 0 JJAAMN COc1ccccc1CCNC(=O)c1ccc(CN2CCN(c3ccc(C)c(C)c3)CC2)cc1 ZINC000034682345 569643900 /nfs/dbraw/zinc/64/39/00/569643900.db2.gz VEXGLDZEGTVCDG-UHFFFAOYSA-N 0 1 457.618 4.607 50 0 JJAAMN O=C(NC1CCCCC1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684544 569645050 /nfs/dbraw/zinc/64/50/50/569645050.db2.gz VDGHYOSANGMAFV-UHFFFAOYSA-N 0 1 458.606 4.644 50 0 JJAAMN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1Cc1cccc(F)c1 ZINC000034708013 569650110 /nfs/dbraw/zinc/65/01/10/569650110.db2.gz GCZZGDVTXYETRQ-QGZVFWFLSA-N 0 1 458.566 4.856 50 0 JJAAMN COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000034726036 569652832 /nfs/dbraw/zinc/65/28/32/569652832.db2.gz UKIDFEXOSLNFQK-UHFFFAOYSA-N 0 1 489.616 4.725 50 0 JJAAMN COc1ccccc1O[C@@H](CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(F)c1 ZINC000034727762 569652927 /nfs/dbraw/zinc/65/29/27/569652927.db2.gz ZNPWBTFJVVFWIL-DEOSSOPVSA-N 0 1 478.564 4.891 50 0 JJAAMN O=C1N(Cc2ccccc2)CCCN1c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000034737599 569654606 /nfs/dbraw/zinc/65/46/06/569654606.db2.gz IKTFRFNTGFPISJ-UHFFFAOYSA-N 0 1 455.967 4.973 50 0 JJAAMN COc1cc(CN2CCCN(c3ccc(C)cc3NS(=O)(=O)c3ccccc3)C2=O)cc(OC)c1 ZINC000034737786 569654727 /nfs/dbraw/zinc/65/47/27/569654727.db2.gz GDVYVGZBTZJBJI-UHFFFAOYSA-N 0 1 495.601 4.645 50 0 JJAAMN O=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1Br ZINC000065096424 569660844 /nfs/dbraw/zinc/66/08/44/569660844.db2.gz ACJKNKGOFZBATK-UHFFFAOYSA-N 0 1 496.346 4.633 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(OC)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829540 569662983 /nfs/dbraw/zinc/66/29/83/569662983.db2.gz FTDMBLIKUNGRLG-UHFFFAOYSA-N 0 1 489.664 4.630 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)NC3CCCCC3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831366 569664200 /nfs/dbraw/zinc/66/42/00/569664200.db2.gz SJHHDIAGIZGFJT-UHFFFAOYSA-N 0 1 484.664 4.714 50 0 JJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)Cc1ccccc1 ZINC000034834620 569664738 /nfs/dbraw/zinc/66/47/38/569664738.db2.gz HNLNLXBJLUASCC-UHFFFAOYSA-N 0 1 473.665 4.550 50 0 JJAAMN CCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)CC(C)C ZINC000034834413 569664865 /nfs/dbraw/zinc/66/48/65/569664865.db2.gz UVWIAQICAPYQNW-UHFFFAOYSA-N 0 1 453.675 4.888 50 0 JJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)Cc1cccs1 ZINC000034834968 569664989 /nfs/dbraw/zinc/66/49/89/569664989.db2.gz HGOLOXPATWDVPL-NRFANRHFSA-N 0 1 479.694 4.754 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000065116095 569666194 /nfs/dbraw/zinc/66/61/94/569666194.db2.gz HTUWUGIUNUATAT-UHFFFAOYSA-N 0 1 483.468 4.691 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000065116179 569666330 /nfs/dbraw/zinc/66/63/30/569666330.db2.gz MLVOMZXAKHVLNT-UHFFFAOYSA-N 0 1 457.552 4.597 50 0 JJAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000035372859 569683302 /nfs/dbraw/zinc/68/33/02/569683302.db2.gz FAMGCYOCCXZWNI-UHFFFAOYSA-N 0 1 455.027 4.952 50 0 JJAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035372825 569683363 /nfs/dbraw/zinc/68/33/63/569683363.db2.gz OZKXNGTYQVSUOW-UHFFFAOYSA-N 0 1 455.027 4.952 50 0 JJAAMN Cc1ccc(C(=O)Nc2ccc(N3CCC([N@H+](C)CCCOC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035450836 569696704 /nfs/dbraw/zinc/69/67/04/569696704.db2.gz QQLSEEUUMZOIRM-UHFFFAOYSA-N 0 1 467.610 4.661 50 0 JJAAMN COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(OC)c1 ZINC000035557311 569703219 /nfs/dbraw/zinc/70/32/19/569703219.db2.gz NYECONBRIVXIGI-UHFFFAOYSA-N 0 1 455.945 4.537 50 0 JJAAMN CC(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCCC2)cc1 ZINC000035671574 569706176 /nfs/dbraw/zinc/70/61/76/569706176.db2.gz NBFFYZWUYAKIGL-SFHVURJKSA-N 0 1 468.648 4.853 50 0 JJAAMN c1ccc(-c2nc3nc(-c4ccccc4)nc(N4CCN(CCc5ccncc5)CC4)c3o2)cc1 ZINC000035673313 569706501 /nfs/dbraw/zinc/70/65/01/569706501.db2.gz QFHONZJEOBWGHL-UHFFFAOYSA-N 0 1 462.557 4.712 50 0 JJAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CCSC)N[C@]12C(=O)Nc1c2cccc1Cl ZINC000035828276 569712742 /nfs/dbraw/zinc/71/27/42/569712742.db2.gz RYEKETHKBNLDFV-XUHFEKCNSA-N 0 1 480.417 4.519 50 0 JJAAMN Cc1cccc(CN2C(=O)NC(=CC3C(=O)N(Cc4ccccc4)N=C3c3ccccc3)C2=O)c1 ZINC000035836801 569713523 /nfs/dbraw/zinc/71/35/23/569713523.db2.gz YKSVDZIFNXEGFT-JLPGSUDCSA-N 0 1 464.525 4.705 50 0 JJAAMN COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843583 569714538 /nfs/dbraw/zinc/71/45/38/569714538.db2.gz JUFWKTIRPUTOLM-JOCHJYFZSA-N 0 1 481.431 4.701 50 0 JJAAMN O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871431 569718822 /nfs/dbraw/zinc/71/88/22/569718822.db2.gz OLEFIVVIZBOOFM-LADGPHEKSA-N 0 1 487.497 4.617 50 0 JJAAMN COc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000095536311 569725788 /nfs/dbraw/zinc/72/57/88/569725788.db2.gz LZHDQXVZWIHGTI-UHFFFAOYSA-N 0 1 450.970 4.708 50 0 JJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2 ZINC000096114795 569733833 /nfs/dbraw/zinc/73/38/33/569733833.db2.gz VWSNAYWQTJQIKT-CQSZACIVSA-N 0 1 478.840 4.694 50 0 biogenic JJAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc(OC)c1OC ZINC000096115792 569734702 /nfs/dbraw/zinc/73/47/02/569734702.db2.gz VGQNUUIPHYIDSU-MRXNPFEDSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000096116417 569735349 /nfs/dbraw/zinc/73/53/49/569735349.db2.gz SSAROIRYUILLBM-IBGZPJMESA-N 0 1 491.499 4.868 50 0 biogenic JJAAMN COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc(=O)c3c(O)c(-c4ccc(OC)cc4)coc-3c21 ZINC000096222093 569739295 /nfs/dbraw/zinc/73/92/95/569739295.db2.gz ZOYDYUPXFAGNER-CQSZACIVSA-N 0 1 490.493 4.684 50 0 biogenic JJAAMN COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096222721 569739596 /nfs/dbraw/zinc/73/95/96/569739596.db2.gz DBTABEQCFLISOR-ZDUSSCGKSA-N 0 1 460.467 4.676 50 0 biogenic JJAAMN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096562014 569741126 /nfs/dbraw/zinc/74/11/26/569741126.db2.gz YDOZKUBIATUKTK-MHZLTWQESA-N 0 1 483.612 4.515 50 0 JJAAMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1CN(C)C ZINC000096601965 569742461 /nfs/dbraw/zinc/74/24/61/569742461.db2.gz KBWOEFXQCHVYIW-UHFFFAOYSA-N 0 1 459.340 4.557 50 0 JJAAMN O[C@H](COc1ccccc1Br)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097891396 569745801 /nfs/dbraw/zinc/74/58/01/569745801.db2.gz QBJJLITVUJPNRY-QHCPKHFHSA-N 0 1 481.434 4.596 50 0 JJAAMN CCCCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313973 569761614 /nfs/dbraw/zinc/76/16/14/569761614.db2.gz BEKZBEUGTBBOBI-HSZRJFAPSA-N 0 1 485.600 4.645 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316537 569763314 /nfs/dbraw/zinc/76/33/14/569763314.db2.gz BDVYWVROAXVPPV-HSZRJFAPSA-N 0 1 467.585 4.976 50 0 JJAAMN CCCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340071 569763557 /nfs/dbraw/zinc/76/35/57/569763557.db2.gz BFYORDLBXDGFBT-AREMUKBSSA-N 0 1 488.676 4.862 50 0 JJAAMN CCCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340207 569763787 /nfs/dbraw/zinc/76/37/87/569763787.db2.gz JPTOELFLAKIXSD-RUZDIDTESA-N 0 1 462.613 4.855 50 0 JJAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)COC(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340271 569763825 /nfs/dbraw/zinc/76/38/25/569763825.db2.gz UIVXCBIZPYABPI-RUZDIDTESA-N 0 1 495.067 4.604 50 0 JJAAMN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@@H](O)COC(C)(C)C)CC2)c1 ZINC000036340583 569763945 /nfs/dbraw/zinc/76/39/45/569763945.db2.gz RLOASCTWPFDHND-AREMUKBSSA-N 0 1 488.676 4.649 50 0 JJAAMN CCCCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340598 569764014 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ZINC000033129349 518365893 /nfs/dbraw/zinc/36/58/93/518365893.db2.gz INQWDBIQHZSCQS-UHFFFAOYSA-N 0 1 471.561 4.765 50 0 JJAAMN C/C(=C\c1ccco1)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000014881613 518449050 /nfs/dbraw/zinc/44/90/50/518449050.db2.gz UYEQPNQQJGQRQV-CUPKDKKMSA-N 0 1 475.637 4.967 50 0 JJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(Br)cc2C[C@H]1C ZINC000040450729 519638805 /nfs/dbraw/zinc/63/88/05/519638805.db2.gz NESYWWMZULYROU-LLVKDONJSA-N 0 1 457.777 4.509 50 0 JJAAMN CC(=O)Nc1cc(CNCc2ccc3c(c2)Cc2ccccc2-3)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012453310 519703998 /nfs/dbraw/zinc/70/39/98/519703998.db2.gz CYFGMVUNWNUVPA-BGYRXZFFSA-N 0 1 483.612 4.755 50 0 JJAAMN CC(=O)Nc1ccc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078510 519721250 /nfs/dbraw/zinc/72/12/50/519721250.db2.gz WGPUPRRLKRFDQF-RUZDIDTESA-N 0 1 463.965 4.908 50 0 JJAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146146 519755688 /nfs/dbraw/zinc/75/56/88/519755688.db2.gz UPZRZSCKZXRLSC-GOTSBHOMSA-N 0 1 482.518 4.873 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146138 519771895 /nfs/dbraw/zinc/77/18/95/519771895.db2.gz QHKWLNBGJNTFPS-VXKWHMMOSA-N 0 1 468.491 4.626 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145992 519773720 /nfs/dbraw/zinc/77/37/20/519773720.db2.gz HQCFRKHXPZRMPJ-YADHBBJMSA-N 0 1 451.394 4.775 50 0 JJAAMN CCCN1CCN(C(=O)CC2CCN(C(=O)c3ccc4nc(-c5ccc(C)cc5)oc4c3)CC2)CC1 ZINC000033116039 519855219 /nfs/dbraw/zinc/85/52/19/519855219.db2.gz GRROMKFRFLRYGL-UHFFFAOYSA-N 0 1 488.632 4.600 50 0 JJAAMN CCCC(=O)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146377 519880919 /nfs/dbraw/zinc/88/09/19/519880919.db2.gz CUZFNRYZTOZFNS-PMACEKPBSA-N 0 1 497.394 4.832 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306537 520154779 /nfs/dbraw/zinc/15/47/79/520154779.db2.gz 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CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372898 521585404 /nfs/dbraw/zinc/58/54/04/521585404.db2.gz NKZCWWDGLLDCIH-UHFFFAOYSA-N 0 1 471.026 4.734 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(F)cc1)=N2 ZINC000045994795 521585416 /nfs/dbraw/zinc/58/54/16/521585416.db2.gz CGTNALYYBYMHJY-UHFFFAOYSA-N 0 1 489.016 4.873 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036304526 521679642 /nfs/dbraw/zinc/67/96/42/521679642.db2.gz MGJGAOOBAJMSRY-QHCPKHFHSA-N 0 1 467.610 4.980 50 0 JJAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NCc4ccco4)c3)n2)CC1 ZINC000036065155 521696553 /nfs/dbraw/zinc/69/65/53/521696553.db2.gz QYPWZGFQYZQFLC-UHFFFAOYSA-N 0 1 493.677 4.731 50 0 JJAAMN COCc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)o1 ZINC000014986696 522974109 /nfs/dbraw/zinc/97/41/09/522974109.db2.gz QDSLKMIWIFCJFQ-XMMPIXPASA-N 0 1 498.649 4.666 50 0 JJAAMN COc1ccc(-c2ccccc2)cc1NC(=O)COc1ccc(-c2ncccn2)cc1CN(C)C ZINC000014988959 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490.010 4.609 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036306330 523735310 /nfs/dbraw/zinc/73/53/10/523735310.db2.gz GEWGQQJGMPMAGH-HSZRJFAPSA-N 0 1 481.637 4.812 50 0 JJAAMN CCc1cc(Sc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2)n2nc(C)nc2n1 ZINC000033276046 523842551 /nfs/dbraw/zinc/84/25/51/523842551.db2.gz HODUQFRXLWMMFW-UHFFFAOYSA-N 0 1 490.010 4.609 50 0 JJAAMN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cc(OC)ccc1OC ZINC000033173617 523854306 /nfs/dbraw/zinc/85/43/06/523854306.db2.gz FXTIXGIORLOGNC-UHFFFAOYSA-N 0 1 456.442 4.741 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008606556 523948145 /nfs/dbraw/zinc/94/81/45/523948145.db2.gz KKLLPLUALCYGNH-MHZLTWQESA-N 0 1 485.540 4.596 50 0 JJAAMN CCc1ccc(N2CCN(C[C@@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000012413363 523964739 /nfs/dbraw/zinc/96/47/39/523964739.db2.gz LJJRBOYJNVHOSW-XMMPIXPASA-N 0 1 469.423 4.727 50 0 JJAAMN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc(-c4cccc(F)c4)n[nH]3)no2)c(C)c1 ZINC000033270950 524281076 /nfs/dbraw/zinc/28/10/76/524281076.db2.gz KQFNPVBWVZVODX-UHFFFAOYSA-N 0 1 466.542 4.783 50 0 JJAAMN COc1ccccc1/C=C/CN1CCC(O)(c2ccc3oc(C(=O)NCc4ccccn4)cc3c2)CC1 ZINC000012218259 524316834 /nfs/dbraw/zinc/31/68/34/524316834.db2.gz MEXZOARDPLHVGS-SOFGYWHQSA-N 0 1 497.595 4.763 50 0 JJAAMN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4Cl)n[nH]3)no2)c1 ZINC000033270834 524419063 /nfs/dbraw/zinc/41/90/63/524419063.db2.gz SASVAOJTENRQPU-UHFFFAOYSA-N 0 1 468.970 4.989 50 0 JJAAMN Cc1ccc(CNc2ncnc3sc(C(=O)N[C@H]4CCN(Cc5ccccc5)C4)c(C)c32)o1 ZINC000012218053 524621012 /nfs/dbraw/zinc/62/10/12/524621012.db2.gz UAXSGEIMBCDJLI-IBGZPJMESA-N 0 1 461.591 4.518 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000033175596 524697237 /nfs/dbraw/zinc/69/72/37/524697237.db2.gz SICBOOIRHKPIFI-UHFFFAOYSA-N 0 1 451.504 4.530 50 0 JJAAMN Cc1ccc(Cn2cc(Br)c(NS(=O)(=O)c3ccc(Br)s3)n2)cc1 ZINC000020367442 524773684 /nfs/dbraw/zinc/77/36/84/524773684.db2.gz MBBKNLGZPLLJCP-UHFFFAOYSA-N 0 1 491.230 4.627 50 0 JJAAMN COc1ccc(OC)c(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000002916678 524801207 /nfs/dbraw/zinc/80/12/07/524801207.db2.gz KBFFWHMVJRPAQY-ZTBKZUISSA-N 0 1 460.534 4.502 50 0 JJAAMN COc1ccc(OC)c([C@@H]2C(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)=C(C)Nc3ncnn32)c1 ZINC000036067938 524890574 /nfs/dbraw/zinc/89/05/74/524890574.db2.gz QATYCXBNHBMYGZ-AGWQHXNASA-N 0 1 454.571 4.588 50 0 JJAAMN Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)n[nH]3)no2)ccc1Br ZINC000033270770 525129237 /nfs/dbraw/zinc/12/92/37/525129237.db2.gz RCSQMHGSXPRZSZ-UHFFFAOYSA-N 0 1 499.394 4.789 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCCOC(C)C)cc1OC ZINC000016753236 525277340 /nfs/dbraw/zinc/27/73/40/525277340.db2.gz FXBGEVSQCXVUTB-AREMUKBSSA-N 0 1 479.577 4.777 50 0 JJAAMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccc4c(c3)OCCO4)ccc2Cl)c(C)c1 ZINC000012508095 525300059 /nfs/dbraw/zinc/30/00/59/525300059.db2.gz UIPKMZANFYTVNX-UHFFFAOYSA-N 0 1 486.977 4.710 50 0 JJAAMN CSc1ccc(C[C@]2(CCC(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)CCC(=O)N2)cc1 ZINC000014994073 526009832 /nfs/dbraw/zinc/00/98/32/526009832.db2.gz JRRIGGOYEBRMKD-BKMJKUGQSA-N 0 1 480.609 4.759 50 0 JJAAMN Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)c1)NC(=O)CCC2=O ZINC000033276573 526309722 /nfs/dbraw/zinc/30/97/22/526309722.db2.gz PXRDPQVUMINHPT-UHFFFAOYSA-N 0 1 486.981 4.809 50 0 JJAAMN Fc1ccc(CSc2nnc(C3CCN(Cc4ccncc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000014984132 526345030 /nfs/dbraw/zinc/34/50/30/526345030.db2.gz SMRSIBDZFUBWRU-QHCPKHFHSA-N 0 1 467.614 4.663 50 0 JJAAMN O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CCN(Cc1ccc(O)c(Cl)c1)CC2 ZINC000012454762 526743675 /nfs/dbraw/zinc/74/36/75/526743675.db2.gz CTIKTVNABLSNLJ-SFHVURJKSA-N 0 1 452.904 4.983 50 0 JJAAMN O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CCN(Cc1ccc(O)c(Cl)c1)CC2 ZINC000012454758 526744639 /nfs/dbraw/zinc/74/46/39/526744639.db2.gz CTIKTVNABLSNLJ-GOSISDBHSA-N 0 1 452.904 4.983 50 0 JJAAMN Cc1nc(CN(C)[C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)cs1 ZINC000014964776 526845652 /nfs/dbraw/zinc/84/56/52/526845652.db2.gz JJRKWTRPSJGASW-IBGZPJMESA-N 0 1 468.623 4.594 50 0 JJAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000022785473 527018403 /nfs/dbraw/zinc/01/84/03/527018403.db2.gz HWDYDQTYTJZSIX-XMMPIXPASA-N 0 1 493.529 4.745 50 0 JJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000043729996 527046266 /nfs/dbraw/zinc/04/62/66/527046266.db2.gz MEMLXVXUIUMILA-HOFKKMOUSA-N 0 1 486.959 4.701 50 0 JJAAMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004453 527210247 /nfs/dbraw/zinc/21/02/47/527210247.db2.gz KGNXDZBXFJQBCU-UHFFFAOYSA-N 0 1 457.621 4.614 50 0 JJAAMN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000008590087 527348580 /nfs/dbraw/zinc/34/85/80/527348580.db2.gz LBSBJLRJTBTAEJ-UHFFFAOYSA-N 0 1 494.611 4.977 50 0 JJAAMN O=C(NC1CCCC1)c1cc2cc(C3(O)CCN(Cc4cccn4-c4nccs4)CC3)ccc2o1 ZINC000014981576 527509339 /nfs/dbraw/zinc/50/93/39/527509339.db2.gz GWMFRPJRWFISID-UHFFFAOYSA-N 0 1 490.629 4.836 50 0 JJAAMN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012521275 527570960 /nfs/dbraw/zinc/57/09/60/527570960.db2.gz HSKGLCXSQMFLRT-UHFFFAOYSA-N 0 1 473.614 4.545 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2)c1 ZINC000000826742 553788645 /nfs/dbraw/zinc/78/86/45/553788645.db2.gz UXLOEQYBVIRQRQ-UHFFFAOYSA-N 0 1 461.337 4.511 50 0 JJAAMN Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1Cl ZINC000000935635 553873269 /nfs/dbraw/zinc/87/32/69/553873269.db2.gz IHEZJOBFPZMEJJ-MRXNPFEDSA-N 0 1 459.955 4.559 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1CCc1ccccc1 ZINC000000958035 553884569 /nfs/dbraw/zinc/88/45/69/553884569.db2.gz BEMVSDGIZXVTRO-UHFFFAOYSA-N 0 1 457.555 4.920 50 0 JJAAMN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000002407305 554189429 /nfs/dbraw/zinc/18/94/29/554189429.db2.gz MFEIGIPFISABIE-HHHXNRCGSA-N 0 1 498.579 4.878 50 0 JJAAMN O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl ZINC000002627270 554250702 /nfs/dbraw/zinc/25/07/02/554250702.db2.gz HABHEMFKKCLBLC-UHFFFAOYSA-N 0 1 483.304 4.914 50 0 JJAAMN CC[C@H](Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002693928 554291477 /nfs/dbraw/zinc/29/14/77/554291477.db2.gz KTDIQTLYIDUGOL-INIZCTEOSA-N 0 1 497.520 4.543 50 0 JJAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3ccco3)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000002710161 554297071 /nfs/dbraw/zinc/29/70/71/554297071.db2.gz BIGOLOQWFYCJJF-JOCHJYFZSA-N 0 1 494.573 4.630 50 0 JJAAMN CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1Cl ZINC000002851608 554379668 /nfs/dbraw/zinc/37/96/68/554379668.db2.gz IZUZCZUCWLVMKH-UHFFFAOYSA-N 0 1 495.388 4.934 50 0 JJAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccc(Cl)cc1 ZINC000002973742 554414557 /nfs/dbraw/zinc/41/45/57/554414557.db2.gz VLACUSMOOQCLID-UHFFFAOYSA-N 0 1 466.788 4.572 50 0 JJAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)n1 ZINC000006023835 554500554 /nfs/dbraw/zinc/50/05/54/554500554.db2.gz AXFDJZDPQJWOKV-YCRREMRBSA-N 0 1 463.346 4.545 50 0 JJAAMN CCCCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000006296722 554528081 /nfs/dbraw/zinc/52/80/81/554528081.db2.gz YXIIXRYCQSHEGZ-UHFFFAOYSA-N 0 1 483.634 4.739 50 0 JJAAMN CCCOc1ccc(N(C(=O)c2ccco2)[C@H]2CC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 ZINC000008763720 554664244 /nfs/dbraw/zinc/66/42/44/554664244.db2.gz ZNQFHBJZJVSAPN-QHCPKHFHSA-N 0 1 476.529 4.836 50 0 JJAAMN CCCOc1ccc(N(C(=O)c2ccco2)C2CC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 ZINC000008763720 554664246 /nfs/dbraw/zinc/66/42/46/554664246.db2.gz ZNQFHBJZJVSAPN-QHCPKHFHSA-N 0 1 476.529 4.836 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840690 554740093 /nfs/dbraw/zinc/74/00/93/554740093.db2.gz PYLSCCRZLZJPSH-UHFFFAOYSA-N 0 1 456.951 4.629 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840662 554740128 /nfs/dbraw/zinc/74/01/28/554740128.db2.gz SKUSKBWGQSJXIS-UHFFFAOYSA-N 0 1 450.560 4.592 50 0 JJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Br)cc2)N1Cc1cccnc1 ZINC000008845344 554742338 /nfs/dbraw/zinc/74/23/38/554742338.db2.gz HQPNLLSXIAXKME-JOCHJYFZSA-N 0 1 461.319 4.685 50 0 JJAAMN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000008848872 554746603 /nfs/dbraw/zinc/74/66/03/554746603.db2.gz JAVNNYVWZPSZEV-VWLOTQADSA-N 0 1 470.573 4.767 50 0 JJAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCc1ccccc1)=N2 ZINC000008888419 554779493 /nfs/dbraw/zinc/77/94/93/554779493.db2.gz NPBAWGCELLSTIW-NRFANRHFSA-N 0 1 457.555 4.838 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)cc1 ZINC000008897465 554787722 /nfs/dbraw/zinc/78/77/22/554787722.db2.gz BBXUMFBDBKYVAX-QGZVFWFLSA-N 0 1 465.560 4.605 50 0 JJAAMN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)cc2)cc1 ZINC000008966398 554842510 /nfs/dbraw/zinc/84/25/10/554842510.db2.gz PLPMJJQRSSWASX-UHFFFAOYSA-N 0 1 473.558 4.772 50 0 JJAAMN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009012760 554864792 /nfs/dbraw/zinc/86/47/92/554864792.db2.gz DUXABKGBBALVKY-UHFFFAOYSA-N 0 1 488.510 4.514 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)NC2CCCCC2)ccc1N1CCCC1 ZINC000009183534 554955787 /nfs/dbraw/zinc/95/57/87/554955787.db2.gz FGSQHWNAAQOJJZ-UHFFFAOYSA-N 0 1 472.611 4.550 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(CCCO)C3=O)cc1Cl ZINC000009243017 555017871 /nfs/dbraw/zinc/01/78/71/555017871.db2.gz FLEAHTUWABXCPI-HXUWFJFHSA-N 0 1 466.752 4.979 50 0 JJAAMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000009260591 555035230 /nfs/dbraw/zinc/03/52/30/555035230.db2.gz HLWYCMJSTZVGHB-GIDUJCDVSA-N 0 1 486.149 4.914 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009293081 555068073 /nfs/dbraw/zinc/06/80/73/555068073.db2.gz YLXASBXVIKXBAZ-VWLOTQADSA-N 0 1 461.468 4.857 50 0 JJAAMN O=C(NCc1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000009368561 555131585 /nfs/dbraw/zinc/13/15/85/555131585.db2.gz ZIYXHCHMSMINCW-UHFFFAOYSA-N 0 1 458.168 4.929 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2ccc(OCc3cscn3)cc2)N2CCCCC2)cc1 ZINC000009376091 555136695 /nfs/dbraw/zinc/13/66/95/555136695.db2.gz SGEOHRUJRGXTGU-DEOSSOPVSA-N 0 1 451.592 4.688 50 0 JJAAMN CC(C)CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408957 555172121 /nfs/dbraw/zinc/17/21/21/555172121.db2.gz XCWKUJBLTDHZHS-RXFWQSSRSA-N 0 1 461.562 4.931 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009409008 555172539 /nfs/dbraw/zinc/17/25/39/555172539.db2.gz ZNLCSLDLOPEHBG-VWLOTQADSA-N 0 1 459.502 4.918 50 0 JJAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1OC ZINC000009409057 555172731 /nfs/dbraw/zinc/17/27/31/555172731.db2.gz RMVCSXAIKYRUBO-AREMUKBSSA-N 0 1 479.577 4.942 50 0 JJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 ZINC000009409098 555172758 /nfs/dbraw/zinc/17/27/58/555172758.db2.gz VAXDRKCCRMBTSX-QFIPXVFZSA-N 0 1 470.367 4.905 50 0 JJAAMN COC(=O)c1ccc(OC)c(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c1 ZINC000009411120 555178318 /nfs/dbraw/zinc/17/83/18/555178318.db2.gz XFSDOPDREFSGHA-UHFFFAOYSA-N 0 1 471.585 4.592 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000009446403 555219347 /nfs/dbraw/zinc/21/93/47/555219347.db2.gz HRPWPFCPVYJYJA-XMMPIXPASA-N 0 1 460.921 4.893 50 0 JJAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009463153 555232912 /nfs/dbraw/zinc/23/29/12/555232912.db2.gz MTUGUASJOORVTR-UBRKHCEVSA-N 0 1 477.564 4.670 50 0 JJAAMN COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009468024 555246664 /nfs/dbraw/zinc/24/66/64/555246664.db2.gz BIGOWJPKJQZINE-UHFFFAOYSA-N 0 1 489.553 4.613 50 0 JJAAMN CC(C)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000009490154 555265214 /nfs/dbraw/zinc/26/52/14/555265214.db2.gz RBNPQBNFMQBXFQ-UHFFFAOYSA-N 0 1 453.955 4.616 50 0 JJAAMN Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(Cl)c2C)cc1Cl ZINC000009495647 555280226 /nfs/dbraw/zinc/28/02/26/555280226.db2.gz ZOEPDHWYJSKBOO-UHFFFAOYSA-N 0 1 474.373 4.763 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4ncsc4c3)ccc2OC)cc1 ZINC000009539433 555330893 /nfs/dbraw/zinc/33/08/93/555330893.db2.gz UIEIZLYAKFQRQW-UHFFFAOYSA-N 0 1 483.571 4.757 50 0 JJAAMN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(OCC)ccc3OCC)cc2)n1 ZINC000009572467 555369248 /nfs/dbraw/zinc/36/92/48/555369248.db2.gz ZMUUPOAVAQQRGV-UHFFFAOYSA-N 0 1 471.583 4.559 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)s2)ccc1N1CCCC1 ZINC000009590978 555404025 /nfs/dbraw/zinc/40/40/25/555404025.db2.gz AURDWCRTPMIOJV-UHFFFAOYSA-N 0 1 471.604 4.718 50 0 JJAAMN Cn1nc(C(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c2c1-c1ccsc1CC2 ZINC000009687668 555415158 /nfs/dbraw/zinc/41/51/58/555415158.db2.gz PMNPZASMSHARGY-UHFFFAOYSA-N 0 1 455.027 4.543 50 0 JJAAMN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000009743624 555475131 /nfs/dbraw/zinc/47/51/31/555475131.db2.gz HBHHIKIMGXHDEQ-DEOSSOPVSA-N 0 1 470.573 4.767 50 0 JJAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Br)cc3)c(O)c2ON1c1ccccc1 ZINC000013513800 555484802 /nfs/dbraw/zinc/48/48/02/555484802.db2.gz YWWIZTJUVAVILE-VSKRKVRLSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000013526231 555487558 /nfs/dbraw/zinc/48/75/58/555487558.db2.gz WNPSHCQTEVHXQH-UHFFFAOYSA-N 0 1 474.586 4.583 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3COc3ccccc3)cc2)n1 ZINC000009783474 555504824 /nfs/dbraw/zinc/50/48/24/555504824.db2.gz LMQPVOWNYGFEJE-UHFFFAOYSA-N 0 1 488.569 4.726 50 0 JJAAMN Cc1cccc(Nc2nc(N)nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c1C ZINC000019891001 555530145 /nfs/dbraw/zinc/53/01/45/555530145.db2.gz RQUNEVBEQUZKDF-UHFFFAOYSA-N 0 1 479.632 4.721 50 0 JJAAMN Cc1ccc(Nc2nc(N)nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1C ZINC000019899181 555534850 /nfs/dbraw/zinc/53/48/50/555534850.db2.gz CLHGPPJQNLBTGY-UHFFFAOYSA-N 0 1 479.632 4.721 50 0 JJAAMN CCc1ccc(Nc2nc(N)nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019944384 555562803 /nfs/dbraw/zinc/56/28/03/555562803.db2.gz SGZLGIFMSDNZRM-UHFFFAOYSA-N 0 1 479.632 4.667 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)c(OC)c1 ZINC000010034894 555601881 /nfs/dbraw/zinc/60/18/81/555601881.db2.gz GXWZBVSLGOJQET-KRWDZBQOSA-N 0 1 486.615 4.932 50 0 JJAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cc4ccccc4cc3OC)nc21 ZINC000010066328 555614056 /nfs/dbraw/zinc/61/40/56/555614056.db2.gz AKYVRGYXXUMSTM-UHFFFAOYSA-N 0 1 465.575 4.684 50 0 JJAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)c(OC)c4)ccc3n2)CC1 ZINC000020108616 555643813 /nfs/dbraw/zinc/64/38/13/555643813.db2.gz IWLHZNVXXRDRFY-UHFFFAOYSA-N 0 1 483.410 4.709 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000013896682 555643875 /nfs/dbraw/zinc/64/38/75/555643875.db2.gz CQEJNBHFCGQFDV-UHFFFAOYSA-N 0 1 463.328 4.950 50 0 JJAAMN Cc1ccc(CN(CCc2ccccc2)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000010202905 555646074 /nfs/dbraw/zinc/64/60/74/555646074.db2.gz JTVQRDVPGMIGHX-UHFFFAOYSA-N 0 1 475.658 4.979 50 0 JJAAMN COc1ccc(COC(=O)C2C(C)=NC(=O)N[C@H]2c2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000013943304 555654752 /nfs/dbraw/zinc/65/47/52/555654752.db2.gz SLEHLOSHTGRPGA-SANMLTNESA-N 0 1 488.540 4.654 50 0 JJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N3CCC(Cc4ccccc4)CC3)cc12 ZINC000020153722 555673124 /nfs/dbraw/zinc/67/31/24/555673124.db2.gz BOFPEVMNJZPBSX-UHFFFAOYSA-N 0 1 473.690 4.947 50 0 JJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCc3ccc(F)cc3Cl)cc12 ZINC000020153871 555673383 /nfs/dbraw/zinc/67/33/83/555673383.db2.gz MZILDFRJECAUMB-UHFFFAOYSA-N 0 1 458.006 4.574 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000014066941 555676007 /nfs/dbraw/zinc/67/60/07/555676007.db2.gz KINCZZGAGAPGTG-NRFANRHFSA-N 0 1 473.558 4.852 50 0 JJAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(C)c2)c1 ZINC000020168688 555679528 /nfs/dbraw/zinc/67/95/28/555679528.db2.gz FTHVIWGHJVUEBQ-UHFFFAOYSA-N 0 1 457.574 4.746 50 0 JJAAMN COc1ccc(-c2nc(CN3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)CC3)c(C)o2)cc1OC ZINC000020240688 555735850 /nfs/dbraw/zinc/73/58/50/555735850.db2.gz DCMPLSUFHVOKNO-KGVIQGDOSA-N 0 1 469.626 4.820 50 0 JJAAMN COc1ccc2c(c1)c([C@H](O)CN1CCN(c3ccccc3OC)CC1)c(C)n2Cc1ccccc1 ZINC000020328784 555774859 /nfs/dbraw/zinc/77/48/59/555774859.db2.gz NHTFXEHXFZTWHK-MUUNZHRXSA-N 0 1 485.628 4.871 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCc5ccc(F)cc5)cc4)c3=O)c2c1 ZINC000020331177 555776271 /nfs/dbraw/zinc/77/62/71/555776271.db2.gz LLDWFFKZEJQWTH-UHFFFAOYSA-N 0 1 488.544 4.666 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@H](C)CCc4ccccc4)c3=O)c2c1 ZINC000020331458 555776551 /nfs/dbraw/zinc/77/65/51/555776551.db2.gz OVIXORZEOKWERS-QGZVFWFLSA-N 0 1 478.618 4.857 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H](C)CCc4ccccc4)c3=O)c2c1 ZINC000020331454 555776559 /nfs/dbraw/zinc/77/65/59/555776559.db2.gz OVIXORZEOKWERS-KRWDZBQOSA-N 0 1 478.618 4.857 50 0 JJAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014504644 555815444 /nfs/dbraw/zinc/81/54/44/555815444.db2.gz XZNYUZJEAVZJLN-UHFFFAOYSA-N 0 1 495.608 4.677 50 0 JJAAMN COc1ccccc1-n1cc(CN2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cn1 ZINC000015000588 555845079 /nfs/dbraw/zinc/84/50/79/555845079.db2.gz JREHEUIYLUCZQT-YADHBBJMSA-N 0 1 479.650 4.630 50 0 JJAAMN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000015000873 555845443 /nfs/dbraw/zinc/84/54/43/555845443.db2.gz RETPKTUMUYWYRW-GOSISDBHSA-N 0 1 491.979 4.866 50 0 JJAAMN O=C(NCCSCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000020644488 555846492 /nfs/dbraw/zinc/84/64/92/555846492.db2.gz FGWKGNHTOZYOOO-UHFFFAOYSA-N 0 1 467.660 4.915 50 0 JJAAMN CC(=O)Nc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000021135868 555850205 /nfs/dbraw/zinc/85/02/05/555850205.db2.gz YQRIUKIQNHATOV-UHFFFAOYSA-N 0 1 475.929 4.799 50 0 JJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1Br ZINC000022029199 555864569 /nfs/dbraw/zinc/86/45/69/555864569.db2.gz RZGIHFNFDJZTCY-UHFFFAOYSA-N 0 1 464.407 4.795 50 0 JJAAMN O=C(Nc1nonc1-c1ccccc1)c1nc(SCc2ccccc2)ncc1Br ZINC000011916231 555867150 /nfs/dbraw/zinc/86/71/50/555867150.db2.gz ZQYPJEIHDNMGLY-UHFFFAOYSA-N 0 1 468.336 4.834 50 0 JJAAMN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CCCN(Cc5ccccc5)C4)c3C3CC3)n2)o1 ZINC000011976886 555875802 /nfs/dbraw/zinc/87/58/02/555875802.db2.gz QVJADQQYDOUJKH-JOCHJYFZSA-N 0 1 482.588 4.503 50 0 JJAAMN c1coc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000011998744 555881851 /nfs/dbraw/zinc/88/18/51/555881851.db2.gz REHUSFJEHWZTKU-QHCPKHFHSA-N 0 1 452.624 4.765 50 0 JJAAMN CCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)cc1 ZINC000015563002 555915759 /nfs/dbraw/zinc/91/57/59/555915759.db2.gz HRVJZBRWCBDPTB-UHFFFAOYSA-N 0 1 484.574 4.611 50 0 JJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 ZINC000012150598 555922716 /nfs/dbraw/zinc/92/27/16/555922716.db2.gz DNFYWVRQRKVMTR-SANMLTNESA-N 0 1 453.542 4.778 50 0 JJAAMN COc1ccc(CN2C(=O)c3cccc(N4CCN(C/C(C)=C/c5ccccc5)CC4)c3C2=O)cc1 ZINC000012165786 555932845 /nfs/dbraw/zinc/93/28/45/555932845.db2.gz ASBKHZYGYMUKCA-ZBJSNUHESA-N 0 1 481.596 4.717 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000012180546 555935090 /nfs/dbraw/zinc/93/50/90/555935090.db2.gz ASVUNPXJKWUSGQ-UHFFFAOYSA-N 0 1 450.560 4.788 50 0 JJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000022938724 555992297 /nfs/dbraw/zinc/99/22/97/555992297.db2.gz VONWHIAYBIHMQH-UHFFFAOYSA-N 0 1 451.517 4.634 50 0 JJAAMN Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)ccc1F ZINC000012521201 555992659 /nfs/dbraw/zinc/99/26/59/555992659.db2.gz XHSRCUTVISFXIV-VWLOTQADSA-N 0 1 481.593 4.502 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cncc(Br)c3)ccc2Cl)cc1 ZINC000012526467 555994976 /nfs/dbraw/zinc/99/49/76/555994976.db2.gz KVTYZENHZBNOOU-UHFFFAOYSA-N 0 1 496.770 4.559 50 0 JJAAMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)cc1F ZINC000012526433 555995076 /nfs/dbraw/zinc/99/50/76/555995076.db2.gz CKRKDGSRGPCCPY-UHFFFAOYSA-N 0 1 487.641 4.854 50 0 JJAAMN COc1ccc(CN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000023074284 556004520 /nfs/dbraw/zinc/00/45/20/556004520.db2.gz ZAOIMWQOKOOKGC-FQEVSTJZSA-N 0 1 477.630 4.955 50 0 JJAAMN COC(=O)c1sc2nc(-c3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)c2c1C ZINC000015799530 556007729 /nfs/dbraw/zinc/00/77/29/556007729.db2.gz ACTJHZUDVVGGJW-UHFFFAOYSA-N 0 1 458.587 4.776 50 0 JJAAMN CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)cc1 ZINC000012536219 556009184 /nfs/dbraw/zinc/00/91/84/556009184.db2.gz UMBCYJBEMJQZHN-UHFFFAOYSA-N 0 1 499.677 4.805 50 0 JJAAMN CCc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000023118964 556012537 /nfs/dbraw/zinc/01/25/37/556012537.db2.gz WOWLVPLOSULQFS-UHFFFAOYSA-N 0 1 454.602 4.798 50 0 JJAAMN Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)c2)on1 ZINC000015827736 556015031 /nfs/dbraw/zinc/01/50/31/556015031.db2.gz BXHHYCIYGWMYAW-UHFFFAOYSA-N 0 1 474.026 4.802 50 0 JJAAMN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1)c1ccco1 ZINC000023397290 556051340 /nfs/dbraw/zinc/05/13/40/556051340.db2.gz UFNCHGSGGFAIBX-UHFFFAOYSA-N 0 1 455.717 4.749 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000015913215 556066184 /nfs/dbraw/zinc/06/61/84/556066184.db2.gz KOVOAERYFVCRGH-YDXVBCDDSA-N 0 1 488.613 4.754 50 0 JJAAMN Fc1ccc(CSc2nnc(C3CCN(Cc4ccccn4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000012571335 556073549 /nfs/dbraw/zinc/07/35/49/556073549.db2.gz YNYXXAUVHIYVLU-HSZRJFAPSA-N 0 1 467.614 4.663 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4cccs4)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000012577457 556076443 /nfs/dbraw/zinc/07/64/43/556076443.db2.gz FXXAEGMCLAGCQL-KRWDZBQOSA-N 0 1 465.560 4.605 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](Sc1n[nH]c(C)n1)c1ccccc1)C[C@H](C)CC2 ZINC000012582471 556080092 /nfs/dbraw/zinc/08/00/92/556080092.db2.gz RSAUKHRIXDFNEN-BFUOFWGJSA-N 0 1 470.620 4.948 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](Sc1nc(C)n[nH]1)c1ccccc1)C[C@H](C)CC2 ZINC000012582471 556080093 /nfs/dbraw/zinc/08/00/93/556080093.db2.gz RSAUKHRIXDFNEN-BFUOFWGJSA-N 0 1 470.620 4.948 50 0 JJAAMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000012737976 556106543 /nfs/dbraw/zinc/10/65/43/556106543.db2.gz GGZUFRCNYVZJOE-DEOSSOPVSA-N 0 1 458.537 4.720 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000016007548 556107861 /nfs/dbraw/zinc/10/78/61/556107861.db2.gz GFCNEFJUJNWCDF-YIPGRGJBSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(Nc3ncccn3)c2)ccc1C ZINC000024538759 556135442 /nfs/dbraw/zinc/13/54/42/556135442.db2.gz AVNTXNPMRDQMGP-UHFFFAOYSA-N 0 1 489.557 4.590 50 0 JJAAMN CCCn1c(CN[C@H](Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024733919 556147387 /nfs/dbraw/zinc/14/73/87/556147387.db2.gz YJELPXSBJZEBQI-XMMPIXPASA-N 0 1 476.646 4.770 50 0 JJAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012932676 556148843 /nfs/dbraw/zinc/14/88/43/556148843.db2.gz PEFBEEUTZQVFCX-GCJKJVERSA-N 0 1 465.619 4.857 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4c[nH]nc43)ccc2Cl)cc1 ZINC000024970767 556166023 /nfs/dbraw/zinc/16/60/23/556166023.db2.gz BQFXMHCEVLCHPF-UHFFFAOYSA-N 0 1 470.938 4.668 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 ZINC000025014948 556172597 /nfs/dbraw/zinc/17/25/97/556172597.db2.gz ZUKQRAZCUFUERH-UHFFFAOYSA-N 0 1 476.558 4.551 50 0 JJAAMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000017010298 556200098 /nfs/dbraw/zinc/20/00/98/556200098.db2.gz SMHPAFPHGCMLET-UHFFFAOYSA-N 0 1 488.013 4.900 50 0 JJAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184773 556203973 /nfs/dbraw/zinc/20/39/73/556203973.db2.gz GLZLEXLSPBJSHG-IXCJQBJRSA-N 0 1 471.004 4.996 50 0 JJAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CC)Cc3cccs3)ccc2OC)cc1 ZINC000025288230 556207519 /nfs/dbraw/zinc/20/75/19/556207519.db2.gz MURHUSHNAYIAET-UHFFFAOYSA-N 0 1 458.605 4.782 50 0 JJAAMN Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053464 556213974 /nfs/dbraw/zinc/21/39/74/556213974.db2.gz LBWNZSAKIMUMIC-UHFFFAOYSA-N 0 1 497.603 4.787 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 ZINC000025406687 556214139 /nfs/dbraw/zinc/21/41/39/556214139.db2.gz PMAADEUMCVNVTE-UHFFFAOYSA-N 0 1 472.588 4.776 50 0 JJAAMN Cc1cc(NC(=O)CCCc2ccccc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053482 556214109 /nfs/dbraw/zinc/21/41/09/556214109.db2.gz VRMVHKIBTUSVAM-UHFFFAOYSA-N 0 1 481.560 4.593 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4ccccc4C)[nH]c(=O)c3sc2=S)c1 ZINC000017135946 556223270 /nfs/dbraw/zinc/22/32/70/556223270.db2.gz PJQTVNSBSYYTHI-UHFFFAOYSA-N 0 1 470.601 4.553 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)[nH]c2=O)cc1 ZINC000017271437 556250235 /nfs/dbraw/zinc/25/02/35/556250235.db2.gz PNHBDKRRHZWHDS-UHFFFAOYSA-N 0 1 492.022 4.742 50 0 JJAAMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCCCC2)cc1 ZINC000013057517 556252654 /nfs/dbraw/zinc/25/26/54/556252654.db2.gz KIGXXKKELHFRNY-QHCPKHFHSA-N 0 1 463.603 4.966 50 0 JJAAMN Cc1cccc(C)c1N1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000026571201 556257180 /nfs/dbraw/zinc/25/71/80/556257180.db2.gz BDOBHVZIKMBDNF-HSZRJFAPSA-N 0 1 469.423 4.781 50 0 JJAAMN COc1cccc([C@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)N2CCCC2)c1 ZINC000027341510 556276508 /nfs/dbraw/zinc/27/65/08/556276508.db2.gz FOEXGLQIRYNLRX-QFIPXVFZSA-N 0 1 456.011 4.968 50 0 JJAAMN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018037071 556278274 /nfs/dbraw/zinc/27/82/74/556278274.db2.gz GSABNNPPGFSLPR-SDHSZQHLSA-N 0 1 458.514 4.535 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccccc3Cl)o2)NC(=O)N[C@]1(O)c1ccc(F)cc1)C(F)(F)F ZINC000027754536 556306016 /nfs/dbraw/zinc/30/60/16/556306016.db2.gz OCEUTKRJXFGSQD-OPYAIIAOSA-N 0 1 482.817 4.686 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000018957504 556325804 /nfs/dbraw/zinc/32/58/04/556325804.db2.gz WPISFAREPGIGOT-FQEVSTJZSA-N 0 1 452.580 4.507 50 0 JJAAMN O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028289891 556328045 /nfs/dbraw/zinc/32/80/45/556328045.db2.gz XUAAXHPVIUIHCF-KRWDZBQOSA-N 0 1 475.408 4.964 50 0 JJAAMN Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(I)o4)ns3)no2)cc1 ZINC000028403271 556332664 /nfs/dbraw/zinc/33/26/64/556332664.db2.gz ANVQIHDJBYVFHG-UHFFFAOYSA-N 0 1 478.271 4.618 50 0 JJAAMN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000013120658 556333498 /nfs/dbraw/zinc/33/34/98/556333498.db2.gz SWICAPJSJSXYTB-OAHLLOKOSA-N 0 1 463.588 4.755 50 0 JJAAMN CCOC(=O)c1sc2ncnc(N3CCN(Cc4csc5ccccc45)CC3)c2c1C ZINC000028620183 556337548 /nfs/dbraw/zinc/33/75/48/556337548.db2.gz XQWOXHPHFWGIOD-UHFFFAOYSA-N 0 1 452.605 4.713 50 0 JJAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cc5c(c(OC)c4)OCO5)CC3)ccc21 ZINC000019369740 556346559 /nfs/dbraw/zinc/34/65/59/556346559.db2.gz UEENNDJPNWUGFQ-UHFFFAOYSA-N 0 1 457.574 4.870 50 0 JJAAMN COc1ccc(CCNC(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1OC ZINC000019743881 556365565 /nfs/dbraw/zinc/36/55/65/556365565.db2.gz XFBIRGQAJLGFSB-MHZLTWQESA-N 0 1 478.564 4.528 50 0 JJAAMN O=C(c1ccccc1)N1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019758744 556366376 /nfs/dbraw/zinc/36/63/76/556366376.db2.gz YNKKMJRVRSSQJC-NRFANRHFSA-N 0 1 482.411 4.920 50 0 JJAAMN O=C(c1ccccc1)N1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019758748 556366454 /nfs/dbraw/zinc/36/64/54/556366454.db2.gz YNKKMJRVRSSQJC-OAQYLSRUSA-N 0 1 482.411 4.920 50 0 JJAAMN Fc1ccc2c(c1)Sc1ccc(Cl)cc1C[C@H]2N1CCN(CCC2OCCCO2)CC1 ZINC000019801730 556378691 /nfs/dbraw/zinc/37/86/91/556378691.db2.gz JWYXCBVKLJBFFZ-OAQYLSRUSA-N 0 1 463.018 4.998 50 0 JJAAMN COc1cc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc(OC)c1OC ZINC000031816106 556407487 /nfs/dbraw/zinc/40/74/87/556407487.db2.gz XJVCLVTYPRSAIG-QFIPXVFZSA-N 0 1 479.558 4.501 50 0 JJAAMN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCC2)cc1 ZINC000032622680 556452318 /nfs/dbraw/zinc/45/23/18/556452318.db2.gz LYHMIPZCLIZABF-HSZRJFAPSA-N 0 1 475.589 4.977 50 0 JJAAMN Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)cc1 ZINC000032948423 556563638 /nfs/dbraw/zinc/56/36/38/556563638.db2.gz CGOXQMCBYNWKSI-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN Cc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948439 556563949 /nfs/dbraw/zinc/56/39/49/556563949.db2.gz PDGTUJCWSZXIKP-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN CCOc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)cc1 ZINC000032948463 556564003 /nfs/dbraw/zinc/56/40/03/556564003.db2.gz UEXXQJXUFFTSEM-UHFFFAOYSA-N 0 1 484.628 4.943 50 0 JJAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000008595824 562944233 /nfs/dbraw/zinc/94/42/33/562944233.db2.gz SROCSVCAABASIM-DEOSSOPVSA-N 0 1 473.485 4.701 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000008684623 562952191 /nfs/dbraw/zinc/95/21/91/562952191.db2.gz GFCNEFJUJNWCDF-GFQWBHFJSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000008692669 562954357 /nfs/dbraw/zinc/95/43/57/562954357.db2.gz OATLFTYWKDNQRM-UHFFFAOYSA-N 0 1 478.979 4.813 50 0 JJAAMN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1 ZINC000052509362 563204746 /nfs/dbraw/zinc/20/47/46/563204746.db2.gz APHGZZPEOCCYNO-UHFFFAOYSA-N 0 1 464.957 4.542 50 0 in-vitro JJAAMN C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1 ZINC000052509388 563204773 /nfs/dbraw/zinc/20/47/73/563204773.db2.gz KIISCIGBPUVZBF-UHFFFAOYSA-N 0 1 481.025 4.901 50 0 in-vitro JJAAMN Cc1cc(C)c2c(nn3c2nc(C)cc3N2CCN(CCOc3cccc4ccccc43)CC2)n1 ZINC000054284463 569589783 /nfs/dbraw/zinc/58/97/83/569589783.db2.gz DTENYSCDBCTTHB-UHFFFAOYSA-N 0 1 466.589 4.557 50 0 JJAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000057222782 569594744 /nfs/dbraw/zinc/59/47/44/569594744.db2.gz JMASUTCMYVBEQO-UHFFFAOYSA-N 0 1 457.574 4.665 50 0 JJAAMN CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057222785 569594795 /nfs/dbraw/zinc/59/47/95/569594795.db2.gz NAPOMFZBGHUZOB-UHFFFAOYSA-N 0 1 457.574 4.610 50 0 JJAAMN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000008718349 569597040 /nfs/dbraw/zinc/59/70/40/569597040.db2.gz PUNGQLJGVYKXNO-DEOSSOPVSA-N 0 1 474.536 4.847 50 0 JJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000057383646 569599517 /nfs/dbraw/zinc/59/95/17/569599517.db2.gz LKDUTCIPMHJZIB-HNNXBMFYSA-N 0 1 451.910 4.610 50 0 JJAAMN C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2ccccc2c1 ZINC000057383300 569599556 /nfs/dbraw/zinc/59/95/56/569599556.db2.gz ASQQMFOBDAGJHN-KRWDZBQOSA-N 0 1 472.010 4.567 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412392 569599790 /nfs/dbraw/zinc/59/97/90/569599790.db2.gz HZRCHJNFTWVDHU-UHFFFAOYSA-N 0 1 458.971 4.547 50 0 JJAAMN COc1ccc(-c2nc(CC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)cs2)cc1 ZINC000008726978 569600944 /nfs/dbraw/zinc/60/09/44/569600944.db2.gz RPYOTVJAZCSBJX-XMMPIXPASA-N 0 1 465.619 4.713 50 0 JJAAMN Cc1sc2ncnc(N[C@H](C)C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2c1C ZINC000008735599 569601974 /nfs/dbraw/zinc/60/19/74/569601974.db2.gz HOOOWAQXSVEVQV-OAHLLOKOSA-N 0 1 458.031 4.543 50 0 JJAAMN CCn1c(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000032986419 569608886 /nfs/dbraw/zinc/60/88/86/569608886.db2.gz FVGAWRGZQVBUIE-GOSISDBHSA-N 0 1 490.460 4.755 50 0 JJAAMN Cc1ccc(C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999520 569610069 /nfs/dbraw/zinc/61/00/69/569610069.db2.gz NWZOJQQDEHLRJJ-RMDVPPNSSA-N 0 1 491.591 4.626 50 0 biogenic JJAAMN COc1ccc(-c2n[nH]c(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)n2)c(OC)c1 ZINC000062590070 569612319 /nfs/dbraw/zinc/61/23/19/569612319.db2.gz UCAIWURMFLBZEA-UHFFFAOYSA-N 0 1 492.845 4.599 50 0 JJAAMN Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2cc(C)cc(C)c2)n(C)c(=O)n3C)cc1 ZINC000064580871 569620739 /nfs/dbraw/zinc/62/07/39/569620739.db2.gz MWLDFFSJNHTRND-UHFFFAOYSA-N 0 1 467.616 4.754 50 0 JJAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1C ZINC000064591908 569622074 /nfs/dbraw/zinc/62/20/74/569622074.db2.gz KZEBLHXTIHKFFQ-UHFFFAOYSA-N 0 1 465.575 4.704 50 0 JJAAMN COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(CC(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000064591914 569622128 /nfs/dbraw/zinc/62/21/28/569622128.db2.gz XGRASZZDPUIDFQ-UHFFFAOYSA-N 0 1 495.601 4.677 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(Br)s2)cc1 ZINC000034145167 569639710 /nfs/dbraw/zinc/63/97/10/569639710.db2.gz YFSZAEZNBABLFF-RTBURBONSA-N 0 1 467.344 4.572 50 0 JJAAMN Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CCN(Cc2cccs2)CC1 ZINC000034683855 569644622 /nfs/dbraw/zinc/64/46/22/569644622.db2.gz ZRFBCQRCSOJNSA-UHFFFAOYSA-N 0 1 470.616 4.645 50 0 JJAAMN O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684537 569645028 /nfs/dbraw/zinc/64/50/28/569645028.db2.gz HBBOQSXPYWMOMZ-UHFFFAOYSA-N 0 1 470.548 4.973 50 0 JJAAMN COc1ccccc1O[C@H](CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(F)c1 ZINC000034727767 569652954 /nfs/dbraw/zinc/65/29/54/569652954.db2.gz ZNPWBTFJVVFWIL-XMMPIXPASA-N 0 1 478.564 4.891 50 0 JJAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000034830378 569663844 /nfs/dbraw/zinc/66/38/44/569663844.db2.gz VSGIDOHNUYLSLK-WXVAWEFUSA-N 0 1 487.669 4.767 50 0 JJAAMN CCCCNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)[C@@H](C)CC ZINC000034832179 569664412 /nfs/dbraw/zinc/66/44/12/569664412.db2.gz JRPUYHGGLNAAOK-FQEVSTJZSA-N 0 1 472.653 4.572 50 0 JJAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)NC(C)(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034832215 569664458 /nfs/dbraw/zinc/66/44/58/569664458.db2.gz PCQAKJDSRQIDAS-UHFFFAOYSA-N 0 1 468.690 4.679 50 0 JJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)C1CCCCC1 ZINC000034834627 569664741 /nfs/dbraw/zinc/66/47/41/569664741.db2.gz ZXPOUEYJSONCNP-UHFFFAOYSA-N 0 1 465.686 4.888 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)COc1ccccc1 ZINC000034834971 569664933 /nfs/dbraw/zinc/66/49/33/569664933.db2.gz RJRHLSRVMKDTIC-HSZRJFAPSA-N 0 1 489.664 4.529 50 0 JJAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)C1CCCC1)C(C)C ZINC000034835718 569665160 /nfs/dbraw/zinc/66/51/60/569665160.db2.gz PKLUTKIUHWYIFP-UHFFFAOYSA-N 0 1 469.649 4.777 50 0 JJAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccccc1OC)C(C)C ZINC000034836799 569665964 /nfs/dbraw/zinc/66/59/64/569665964.db2.gz VFQDUVFBQIGYGW-UHFFFAOYSA-N 0 1 475.681 4.996 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(Cl)ccc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137475 569668389 /nfs/dbraw/zinc/66/83/89/569668389.db2.gz USXGBXVIWKTLMM-UHFFFAOYSA-N 0 1 493.054 4.846 50 0 JJAAMN CCN(CCCCCn1nnc(-c2ccccc2)n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000065551082 569675736 /nfs/dbraw/zinc/67/57/36/569675736.db2.gz DUEXRKGGOCEEAD-UHFFFAOYSA-N 0 1 461.397 4.778 50 0 JJAAMN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000067189422 569677223 /nfs/dbraw/zinc/67/72/23/569677223.db2.gz GMFSZWFKYGVOPH-IWNAYQHTSA-N 0 1 486.955 4.977 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(OC)cc1)=N2 ZINC000035372571 569683186 /nfs/dbraw/zinc/68/31/86/569683186.db2.gz RERSJSAPHKKANL-UHFFFAOYSA-N 0 1 464.635 4.697 50 0 JJAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(OC)cc1)=N2 ZINC000035372716 569683216 /nfs/dbraw/zinc/68/32/16/569683216.db2.gz MKFFZVZPTDTOJV-UHFFFAOYSA-N 0 1 489.016 4.873 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Cl)cc1)=N2 ZINC000035372788 569683220 /nfs/dbraw/zinc/68/32/20/569683220.db2.gz YEDCWJQJAFQJOZ-UHFFFAOYSA-N 0 1 462.953 4.613 50 0 JJAAMN COc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1 ZINC000035397159 569687795 /nfs/dbraw/zinc/68/77/95/569687795.db2.gz XBENOMQVKYAZGL-UHFFFAOYSA-N 0 1 478.662 4.988 50 0 JJAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000069740036 569693582 /nfs/dbraw/zinc/69/35/82/569693582.db2.gz VZXCPVSEBKBRLW-UHFFFAOYSA-N 0 1 479.341 4.818 50 0 JJAAMN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)ccc1OCCc1ccccc1 ZINC000072406430 569703872 /nfs/dbraw/zinc/70/38/72/569703872.db2.gz VMJNOJCXSVSIIA-IBGZPJMESA-N 0 1 495.543 4.601 50 0 JJAAMN Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(CCc2c(C)nc3c(C)cccn3c2=O)C1 ZINC000085393511 569710149 /nfs/dbraw/zinc/71/01/49/569710149.db2.gz VROKNDJWKJXDEJ-UHFFFAOYSA-N 0 1 491.639 4.813 50 0 JJAAMN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CCN1CCCC1)C(=O)C(C)(C)C ZINC000035774502 569710876 /nfs/dbraw/zinc/71/08/76/569710876.db2.gz UCWPXRCJHILYJE-UHFFFAOYSA-N 0 1 455.668 4.556 50 0 JJAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccccc3c2=O)cc1 ZINC000085875216 569715622 /nfs/dbraw/zinc/71/56/22/569715622.db2.gz GCKWCFLASNUINY-KRWDZBQOSA-N 0 1 482.444 4.722 50 0 biogenic JJAAMN Cc1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1Cl ZINC000085902140 569716471 /nfs/dbraw/zinc/71/64/71/569716471.db2.gz OPBJBEMLGNCPSE-VWLOTQADSA-N 0 1 474.004 4.688 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000035911138 569726399 /nfs/dbraw/zinc/72/63/99/569726399.db2.gz BJBXHKUAPONEOC-AOYPEHQESA-N 0 1 496.076 4.632 50 0 JJAAMN COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096114048 569733126 /nfs/dbraw/zinc/73/31/26/569733126.db2.gz PAFDTEPYORNILQ-MRXNPFEDSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)ccc1OC(F)F ZINC000096114527 569733646 /nfs/dbraw/zinc/73/36/46/569733646.db2.gz VGHGICDIZBAISC-OAHLLOKOSA-N 0 1 496.418 4.922 50 0 biogenic JJAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2 ZINC000096114794 569733819 /nfs/dbraw/zinc/73/38/19/569733819.db2.gz VWSNAYWQTJQIKT-AWEZNQCLSA-N 0 1 478.840 4.694 50 0 biogenic JJAAMN Cc1ccc(CN2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001674 569746117 /nfs/dbraw/zinc/74/61/17/569746117.db2.gz OGUKHHYYFVYFRX-UHFFFAOYSA-N 0 1 482.628 4.806 50 0 JJAAMN CC[C@H](NC(=O)Cc1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1 ZINC000036048331 569755939 /nfs/dbraw/zinc/75/59/39/569755939.db2.gz UULIMZKPEUSURA-SVEHJYQDSA-N 0 1 458.602 4.941 50 0 JJAAMN CCCCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313974 569761683 /nfs/dbraw/zinc/76/16/83/569761683.db2.gz BEKZBEUGTBBOBI-QHCPKHFHSA-N 0 1 485.600 4.645 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316183 569762338 /nfs/dbraw/zinc/76/23/38/569762338.db2.gz NAAAXKDGLFLZIZ-NRFANRHFSA-N 0 1 453.558 4.769 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316467 569762996 /nfs/dbraw/zinc/76/29/96/569762996.db2.gz UXPVYNFMKYBTOM-OAQYLSRUSA-N 0 1 455.574 4.974 50 0 JJAAMN CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340402 569763814 /nfs/dbraw/zinc/76/38/14/569763814.db2.gz XIYDIZSBUCYBCB-DEOSSOPVSA-N 0 1 462.613 4.855 50 0 JJAAMN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344048 569766686 /nfs/dbraw/zinc/76/66/86/569766686.db2.gz LFAISJGGIPBSCK-VWLOTQADSA-N 0 1 465.594 4.512 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100933770 569776465 /nfs/dbraw/zinc/77/64/65/569776465.db2.gz DTCMDRMUZCKVQO-VSKRKVRLSA-N 0 1 479.330 4.509 50 0 JJAAMN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037360319 569784086 /nfs/dbraw/zinc/78/40/86/569784086.db2.gz XGFJBUNCDIXKOS-UHFFFAOYSA-N 0 1 493.590 4.585 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101180026 569786326 /nfs/dbraw/zinc/78/63/26/569786326.db2.gz ROGZTUDBUVLFII-SDHSZQHLSA-N 0 1 476.504 4.674 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101268020 569788561 /nfs/dbraw/zinc/78/85/61/569788561.db2.gz OVBRODNAMZDVAL-WXFUMESZSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(C)s3)C2)c1O ZINC000101495341 569800495 /nfs/dbraw/zinc/80/04/95/569800495.db2.gz ZYJZVTOJRFNKNH-OAQYLSRUSA-N 0 1 491.594 4.968 50 0 JJAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@H](c2cccnc2)C1 ZINC000101766884 569804956 /nfs/dbraw/zinc/80/49/56/569804956.db2.gz AVFNOTYEDFMLBO-FQEVSTJZSA-N 0 1 476.945 4.638 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102759032 569821599 /nfs/dbraw/zinc/82/15/99/569821599.db2.gz AIBHKCYLLCQTEJ-DNVJHFABSA-N 0 1 493.357 4.817 50 0 JJAAMN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102762344 569822354 /nfs/dbraw/zinc/82/23/54/569822354.db2.gz GSABNNPPGFSLPR-UBFVSLLYSA-N 0 1 458.514 4.535 50 0 JJAAMN O=C(Nc1nc(C(=O)N2CCN(C3CCCCC3)CC2)cs1)c1ccc(Cl)cc1Cl ZINC000040355820 569824029 /nfs/dbraw/zinc/82/40/29/569824029.db2.gz BESASRVHRPYFEI-UHFFFAOYSA-N 0 1 467.422 4.793 50 0 JJAAMN Clc1ccc(Cc2nc3nc4c(c(N5CCN(Cc6ccccc6)CC5)n3n2)CCCC4)cc1 ZINC000046022950 569842526 /nfs/dbraw/zinc/84/25/26/569842526.db2.gz OQFNIWBVXMIRKG-UHFFFAOYSA-N 0 1 473.024 4.570 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982896 569847939 /nfs/dbraw/zinc/84/79/39/569847939.db2.gz HQCFRKHXPZRMPJ-FGZHOGPDSA-N 0 1 451.394 4.775 50 0 JJAAMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)c(Cl)cc1Cl ZINC000049464343 569848026 /nfs/dbraw/zinc/84/80/26/569848026.db2.gz JTNVMRWNBUYXCY-OAHLLOKOSA-N 0 1 469.390 4.880 50 0 JJAAMN O[C@@H](COc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677151 569868554 /nfs/dbraw/zinc/86/85/54/569868554.db2.gz XOYBHBJCMBJACM-NOZRDPDXSA-N 0 1 450.966 4.775 50 0 JJAAMN O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679605 569869881 /nfs/dbraw/zinc/86/98/81/569869881.db2.gz OLEFIVVIZBOOFM-UPVQGACJSA-N 0 1 487.497 4.617 50 0 JJAAMN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000169679917 569870138 /nfs/dbraw/zinc/87/01/38/569870138.db2.gz DGCCVKRRKORTGX-RDGATRHJSA-N 0 1 484.980 4.515 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000226537954 570038042 /nfs/dbraw/zinc/03/80/42/570038042.db2.gz IRYHIPPUTYXBEF-WAOWUJCRSA-N 0 1 464.827 4.547 50 0 JJAAMN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@@H]3C2=O)cc1 ZINC000229800549 570041267 /nfs/dbraw/zinc/04/12/67/570041267.db2.gz JUSZSBMTAKZIPZ-JIMJEQGWSA-N 0 1 450.494 4.900 50 0 JJAAMN COc1cccc(CN(C[C@@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245279095 570061313 /nfs/dbraw/zinc/06/13/13/570061313.db2.gz CAZSQENHHXTWGH-FYYLOGMGSA-N 0 1 461.002 4.520 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280359 570061967 /nfs/dbraw/zinc/06/19/67/570061967.db2.gz OASXBLJLLFEGDY-UKILVPOCSA-N 0 1 479.621 4.566 50 0 JJAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1C ZINC000247983427 570072032 /nfs/dbraw/zinc/07/20/32/570072032.db2.gz HVGWNACFHCAUSV-DEOSSOPVSA-N 0 1 473.665 4.795 50 0 JJAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248003477 570072482 /nfs/dbraw/zinc/07/24/82/570072482.db2.gz GLZLEXLSPBJSHG-XCZPVHLTSA-N 0 1 471.004 4.996 50 0 JJAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000248003477 570072484 /nfs/dbraw/zinc/07/24/84/570072484.db2.gz GLZLEXLSPBJSHG-XCZPVHLTSA-N 0 1 471.004 4.996 50 0 JJAAMN CCCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248012722 570072721 /nfs/dbraw/zinc/07/27/21/570072721.db2.gz RVQWCARPDQPFEX-QGZVFWFLSA-N 0 1 455.400 4.526 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)nc3ccccc32)cc1 ZINC000248125227 570074814 /nfs/dbraw/zinc/07/48/14/570074814.db2.gz WNXQXHWQJYETPV-VWLOTQADSA-N 0 1 482.628 4.930 50 0 JJAAMN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000248256170 570076976 /nfs/dbraw/zinc/07/69/76/570076976.db2.gz KXPQUHHNPNEABT-VPBXCIAMSA-N 0 1 450.538 4.970 50 0 JJAAMN CCCCN(CC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000248273854 570077212 /nfs/dbraw/zinc/07/72/12/570077212.db2.gz XJUSFFHBGJZKAQ-HSZRJFAPSA-N 0 1 462.638 4.954 50 0 JJAAMN Clc1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261491668 570169869 /nfs/dbraw/zinc/16/98/69/570169869.db2.gz BTBXEEYIOZIWOB-UHFFFAOYSA-N 0 1 454.361 4.864 50 0 JJAAMN c1sc2nc(-c3ccccn3)nc(N3CCN(C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000024153759 721918450 /nfs/dbraw/zinc/91/84/50/721918450.db2.gz XKQKYUNZSKVFRB-HXUWFJFHSA-N 0 1 457.603 4.721 50 0 JJAAMN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000019632618 341977389 /nfs/dbraw/zinc/97/73/89/341977389.db2.gz KTUFNOKKBVMGRW-UHFFFAOYSA-N 0 1 493.615 4.590 50 0 aggregator,fda JJAAMN COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000001064651 194013276 /nfs/dbraw/zinc/01/32/76/194013276.db2.gz FAWQRRYFXAXWTR-UHFFFAOYSA-N 0 1 458.967 4.696 50 0 JJAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1cccc(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000003033173 194213324 /nfs/dbraw/zinc/21/33/24/194213324.db2.gz GITBQTQJBOUOCQ-UHFFFAOYSA-N 0 1 479.871 4.512 50 0 JJAAMN CCOC(=O)c1c(N)sc(C(O)(C(F)(F)F)C(F)(F)F)c1-c1ccc(OC)cc1OC ZINC000003167526 194233268 /nfs/dbraw/zinc/23/32/68/194233268.db2.gz JKIFRIUNVVONCN-UHFFFAOYSA-N 0 1 473.391 4.503 50 0 JJAAMN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CNCc3ccco3)cc21 ZINC000003628255 194343466 /nfs/dbraw/zinc/34/34/66/194343466.db2.gz WXRDFYKOHODQLI-NRFANRHFSA-N 0 1 462.546 4.547 50 0 JJAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(C)o2)cc1 ZINC000004056502 194372801 /nfs/dbraw/zinc/37/28/01/194372801.db2.gz BSPULXJCEQFCTG-UHFFFAOYSA-N 0 1 472.633 4.773 50 0 JJAAMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009235457 194621695 /nfs/dbraw/zinc/62/16/95/194621695.db2.gz UILFIKPNDPTZDA-UHFFFAOYSA-N 0 1 489.273 4.569 50 0 JJAAMN CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1)C(=O)Nc1ccccc1F ZINC000009909038 195019917 /nfs/dbraw/zinc/01/99/17/195019917.db2.gz ZNWWEKKHGMJCEQ-IBGZPJMESA-N 0 1 489.594 4.787 50 0 JJAAMN CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1)C(=O)Nc1ccc(C)cc1 ZINC000009909034 195020080 /nfs/dbraw/zinc/02/00/80/195020080.db2.gz JKDQXMZCGXJATI-HXUWFJFHSA-N 0 1 485.631 4.956 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009915510 195022816 /nfs/dbraw/zinc/02/28/16/195022816.db2.gz LXCXMPXIQLBPCC-UHFFFAOYSA-N 0 1 454.548 4.751 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SCc1ccsc1 ZINC000009883483 195011954 /nfs/dbraw/zinc/01/19/54/195011954.db2.gz WNYYNRVWXBPKNE-UHFFFAOYSA-N 0 1 482.612 4.884 50 0 JJAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000009942496 195029951 /nfs/dbraw/zinc/02/99/51/195029951.db2.gz PKFXDZOKETUTCI-UHFFFAOYSA-N 0 1 450.583 4.848 50 0 JJAAMN COc1ccccc1N1CCN(c2c(C(=O)c3ccccc3)cnc3cc(OC)c(OC)cc32)CC1 ZINC000009969115 195042158 /nfs/dbraw/zinc/04/21/58/195042158.db2.gz BPZRIOSUQFOJGC-UHFFFAOYSA-N 0 1 483.568 4.818 50 0 JJAAMN CCOC(=O)C1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1 ZINC000012594293 195043015 /nfs/dbraw/zinc/04/30/15/195043015.db2.gz BPFBPYLSLUCLBJ-UHFFFAOYSA-N 0 1 451.542 4.771 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 ZINC000012630896 195062872 /nfs/dbraw/zinc/06/28/72/195062872.db2.gz QMLYKZZXNPQOID-INIZCTEOSA-N 0 1 481.599 4.939 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)N(C)C)c1 ZINC000012745500 195102147 /nfs/dbraw/zinc/10/21/47/195102147.db2.gz MRYQMFKMMGWDQI-VWLOTQADSA-N 0 1 470.573 4.589 50 0 JJAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)N1CCCC1 ZINC000012748965 195104139 /nfs/dbraw/zinc/10/41/39/195104139.db2.gz RHKHJXJFSJLANN-AREMUKBSSA-N 0 1 497.595 4.680 50 0 JJAAMN COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)N1CCCC1 ZINC000012801435 195139346 /nfs/dbraw/zinc/13/93/46/195139346.db2.gz FSCMVUFEMZIDSB-JTHBVZDNSA-N 0 1 492.447 4.710 50 0 JJAAMN CSc1n[nH]c(NC(=O)c2cc(C)nn2-c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000020607275 195181310 /nfs/dbraw/zinc/18/13/10/195181310.db2.gz FFUUHXGYWVLAEQ-UHFFFAOYSA-N 0 1 466.379 4.703 50 0 JJAAMN O=C(CCc1cn(CN2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCCC1 ZINC000020624365 195191111 /nfs/dbraw/zinc/19/11/11/195191111.db2.gz RIJPBMIDUZQLQG-UHFFFAOYSA-N 0 1 473.646 4.586 50 0 JJAAMN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020828511 195229791 /nfs/dbraw/zinc/22/97/91/195229791.db2.gz IWHRYGPUHFABFD-UHFFFAOYSA-N 0 1 494.595 4.589 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000020868199 195235003 /nfs/dbraw/zinc/23/50/03/195235003.db2.gz FIZCXUAYZZTBNE-RUZDIDTESA-N 0 1 459.502 4.755 50 0 JJAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(C)n1C ZINC000020990000 195262162 /nfs/dbraw/zinc/26/21/62/195262162.db2.gz XNKRRTQQOONHPI-UHFFFAOYSA-N 0 1 486.682 4.695 50 0 JJAAMN Cc1cccc(CN2CC=C(c3noc(CCC(=O)NCCc4ccc(Cl)cc4)n3)CC2)c1 ZINC000021103359 195276785 /nfs/dbraw/zinc/27/67/85/195276785.db2.gz RFWRDNVAXJPWQV-UHFFFAOYSA-N 0 1 464.997 4.612 50 0 JJAAMN CC(C)(NCCS(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000058344187 195378199 /nfs/dbraw/zinc/37/81/99/195378199.db2.gz JPAHVMQGJGIJNL-UHFFFAOYSA-N 0 1 450.320 4.767 50 0 JJAAMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000058157692 195367722 /nfs/dbraw/zinc/36/77/22/195367722.db2.gz ATLFTJAXKUHMBH-SANMLTNESA-N 0 1 473.642 4.524 50 0 JJAAMN C[C@@H]1CN(C[C@@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@@H](C)O1 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ZINC000000791062 553781793 /nfs/dbraw/zinc/78/17/93/553781793.db2.gz XJRYRNFATUUWLV-UHFFFAOYSA-N 0 1 459.527 4.567 50 0 JJAAMN CC(C)(C)[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(NC2CC2)CCCCC1 ZINC000001030843 553900785 /nfs/dbraw/zinc/90/07/85/553900785.db2.gz QVIPCNZDKHIVBL-RTWAWAEBSA-N 0 1 485.036 4.694 50 0 JJAAMN CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(NC2CC2)CCCCC1 ZINC000001030845 553901092 /nfs/dbraw/zinc/90/10/92/553901092.db2.gz QVIPCNZDKHIVBL-NHCUHLMSSA-N 0 1 485.036 4.694 50 0 JJAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc(Br)cc1 ZINC000002111097 554049929 /nfs/dbraw/zinc/04/99/29/554049929.db2.gz WHMLTTKUXSPHKB-UHFFFAOYSA-N 0 1 466.287 4.946 50 0 biogenic JJAAMN Cc1ccccc1-n1c(=O)c(C(=O)C[C@H]2[NH2+]CCc3ccccc32)c([O-])n(-c2ccccc2)c1=S ZINC000002257974 554120096 /nfs/dbraw/zinc/12/00/96/554120096.db2.gz HEDNUQFIIPAZHQ-JOCHJYFZSA-N 0 1 483.593 4.832 50 0 JJAAMN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000002314164 554144700 /nfs/dbraw/zinc/14/47/00/554144700.db2.gz AZMVECJNVIQIKU-INIZCTEOSA-N 0 1 453.970 4.890 50 0 JJAAMN Cc1nc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)sc1C(=O)Nc1ccccc1 ZINC000002343801 554157577 /nfs/dbraw/zinc/15/75/77/554157577.db2.gz VKQXTXQKTOQQBA-UHFFFAOYSA-N 0 1 494.602 4.655 50 0 JJAAMN Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1C[C@@H]1CCCO1 ZINC000002634198 554255254 /nfs/dbraw/zinc/25/52/54/554255254.db2.gz TVXUUYCAIUDQOE-KRWDZBQOSA-N 0 1 475.412 4.807 50 0 JJAAMN COc1cc2ncc(C(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)c2cc1OC ZINC000002713574 554299392 /nfs/dbraw/zinc/29/93/92/554299392.db2.gz FOJJCJQLQPPOEQ-UHFFFAOYSA-N 0 1 453.542 4.810 50 0 JJAAMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1OCC(=O)NC1CCCCC1 ZINC000002850424 554378333 /nfs/dbraw/zinc/37/83/33/554378333.db2.gz ULLNJKBCZMRZBS-UHFFFAOYSA-N 0 1 477.026 4.766 50 0 JJAAMN O=C(NCCc1ccc(Cl)cc1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000002971982 554414117 /nfs/dbraw/zinc/41/41/17/554414117.db2.gz UUJQBRLXHCXQTH-UHFFFAOYSA-N 0 1 456.011 4.878 50 0 JJAAMN CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 ZINC000003144120 554427011 /nfs/dbraw/zinc/42/70/11/554427011.db2.gz UBGSYWIOFDMRPY-UHFFFAOYSA-N 0 1 484.599 4.775 50 0 JJAAMN CCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000006177312 554514998 /nfs/dbraw/zinc/51/49/98/554514998.db2.gz IZNAZGRMEUGAAW-UHFFFAOYSA-N 0 1 459.365 4.917 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000006298636 554529073 /nfs/dbraw/zinc/52/90/73/554529073.db2.gz XOAXWKPFCCDKQE-UHFFFAOYSA-N 0 1 462.527 4.667 50 0 JJAAMN COC(=O)C1=C(CSc2ccc(Br)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008815953 554697543 /nfs/dbraw/zinc/69/75/43/554697543.db2.gz OPVUIONWLHNFIC-LJQANCHMSA-N 0 1 461.381 4.639 50 0 JJAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000008845140 554741789 /nfs/dbraw/zinc/74/17/89/554741789.db2.gz IOHAFRPXWUTYCY-SANMLTNESA-N 0 1 470.529 4.720 50 0 JJAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000008845727 554743649 /nfs/dbraw/zinc/74/36/49/554743649.db2.gz ILQMMURDTJJOBL-SANMLTNESA-N 0 1 485.540 4.862 50 0 JJAAMN O=C(NCCc1cnc[nH]1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008912929 554803868 /nfs/dbraw/zinc/80/38/68/554803868.db2.gz LZBXUAWHJGTCNL-UHFFFAOYSA-N 0 1 486.576 4.607 50 0 JJAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000008917925 554813605 /nfs/dbraw/zinc/81/36/05/554813605.db2.gz OVCLCLNFNQMHCT-UUROJUAVSA-N 0 1 478.548 4.566 50 0 biogenic JJAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccco1 ZINC000008922840 554819815 /nfs/dbraw/zinc/81/98/15/554819815.db2.gz BINPNHHHWSYYLX-NRFANRHFSA-N 0 1 467.547 4.764 50 0 JJAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OC(=O)c1ccco1 ZINC000008928021 554825636 /nfs/dbraw/zinc/82/56/36/554825636.db2.gz BTJMBLPCAZGAKF-OAQYLSRUSA-N 0 1 467.547 4.766 50 0 JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccc(F)c4)c2)N3)C1 ZINC000008928012 554825664 /nfs/dbraw/zinc/82/56/64/554825664.db2.gz OZPXNBIAPOZGQZ-OAQYLSRUSA-N 0 1 451.523 4.913 50 0 JJAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961498 554837969 /nfs/dbraw/zinc/83/79/69/554837969.db2.gz WUQDAUVRPKZLMC-UHFFFAOYSA-N 0 1 452.532 4.885 50 0 JJAAMN Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1N1CCN(C)CC1 ZINC000009112872 554900183 /nfs/dbraw/zinc/90/01/83/554900183.db2.gz UAQBNDPEYQQLLA-RUZDIDTESA-N 0 1 491.035 4.900 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000009116312 554903722 /nfs/dbraw/zinc/90/37/22/554903722.db2.gz YFLAZXKTCDULDE-UHFFFAOYSA-N 0 1 463.559 4.939 50 0 JJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009123912 554914702 /nfs/dbraw/zinc/91/47/02/554914702.db2.gz UNPDUNFUNGQFSQ-SANMLTNESA-N 0 1 470.529 4.557 50 0 JJAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)c1 ZINC000009124303 554915244 /nfs/dbraw/zinc/91/52/44/554915244.db2.gz XAGBAVMLVRVEDV-VWLOTQADSA-N 0 1 454.530 4.938 50 0 JJAAMN COc1ccc(NC(=O)CCSc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009130249 554929619 /nfs/dbraw/zinc/92/96/19/554929619.db2.gz VGAUFAYWMKVWDT-UHFFFAOYSA-N 0 1 460.552 4.756 50 0 JJAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 ZINC000009136413 554932683 /nfs/dbraw/zinc/93/26/83/554932683.db2.gz OZOAWEGAMINUIU-XMMPIXPASA-N 0 1 453.542 4.951 50 0 JJAAMN CC(C)CN1c2ccc(NS(=O)(=O)c3ccccc3Br)cc2OCC(C)(C)C1=O ZINC000009168077 554952087 /nfs/dbraw/zinc/95/20/87/554952087.db2.gz ICWPDIYBXKJRFA-UHFFFAOYSA-N 0 1 481.412 4.658 50 0 JJAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1OC ZINC000009184763 554956728 /nfs/dbraw/zinc/95/67/28/554956728.db2.gz FCAVMPTVECRYGR-AREMUKBSSA-N 0 1 479.577 4.514 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(F)ccc4O)c3[C@@H]2c2ccccc2F)cc1 ZINC000009243349 555018245 /nfs/dbraw/zinc/01/82/45/555018245.db2.gz FKTGGHRPABYVAZ-VWLOTQADSA-N 0 1 461.468 4.857 50 0 JJAAMN COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)N1CCCC1 ZINC000009336409 555104003 /nfs/dbraw/zinc/10/40/03/555104003.db2.gz MHUNKYNHCWHDKQ-SANMLTNESA-N 0 1 452.558 4.872 50 0 JJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)c1 ZINC000009338053 555105997 /nfs/dbraw/zinc/10/59/97/555105997.db2.gz RAJAWQNPDZZQLO-UHFFFAOYSA-N 0 1 459.474 4.916 50 0 JJAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009364861 555125217 /nfs/dbraw/zinc/12/52/17/555125217.db2.gz XPHCXYCLGBGHPW-UHFFFAOYSA-N 0 1 487.003 4.742 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c3O[C@H](C)[C@H]4C)ccc2OC)cc1 ZINC000009376741 555137785 /nfs/dbraw/zinc/13/77/85/555137785.db2.gz DSPYLIJTOHUXDC-HZPDHXFCSA-N 0 1 482.558 4.641 50 0 JJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1OCC ZINC000009409044 555172572 /nfs/dbraw/zinc/17/25/72/555172572.db2.gz XGKYBMVYZQQLND-VWLOTQADSA-N 0 1 465.550 4.552 50 0 JJAAMN CC(C)OCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 ZINC000009409101 555173073 /nfs/dbraw/zinc/17/30/73/555173073.db2.gz FDGLBIYSGGFIPZ-JOCHJYFZSA-N 0 1 470.367 4.905 50 0 JJAAMN CCCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1OC ZINC000009409223 555173644 /nfs/dbraw/zinc/17/36/44/555173644.db2.gz VMCZITOMBMYPFC-AREMUKBSSA-N 0 1 479.577 4.678 50 0 JJAAMN COc1ccc(-c2nonc2NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 ZINC000009409524 555174569 /nfs/dbraw/zinc/17/45/69/555174569.db2.gz YJNPEKOIWWJJIF-UHFFFAOYSA-N 0 1 498.362 4.842 50 0 JJAAMN CCCCN(CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433782 555204100 /nfs/dbraw/zinc/20/41/00/555204100.db2.gz JZZCHOZURMVEMD-UHFFFAOYSA-N 0 1 473.573 4.624 50 0 JJAAMN COc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3)c(C)c2c1 ZINC000009461359 555228847 /nfs/dbraw/zinc/22/88/47/555228847.db2.gz MGUOELLQTREELI-UHFFFAOYSA-N 0 1 466.515 4.812 50 0 JJAAMN COc1ccc([C@H](CNC(=O)Cn2c3ccccc3nc2-c2cscn2)N2CCCCC2)cc1 ZINC000009466669 555242890 /nfs/dbraw/zinc/24/28/90/555242890.db2.gz KZOKCJXVWMPUIS-DEOSSOPVSA-N 0 1 475.618 4.512 50 0 JJAAMN COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009468148 555247227 /nfs/dbraw/zinc/24/72/27/555247227.db2.gz XTPZDIXGEWTLEE-UHFFFAOYSA-N 0 1 489.553 4.613 50 0 JJAAMN COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009468868 555249759 /nfs/dbraw/zinc/24/97/59/555249759.db2.gz OTQZMSOHKWEKBY-UHFFFAOYSA-N 0 1 478.526 4.811 50 0 JJAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000009469834 555252849 /nfs/dbraw/zinc/25/28/49/555252849.db2.gz CCIOUWDLGCWXBS-UHFFFAOYSA-N 0 1 454.983 4.658 50 0 JJAAMN Cc1nc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(Cl)cc1Cl ZINC000009494348 555278382 /nfs/dbraw/zinc/27/83/82/555278382.db2.gz PVIZPDIGLMGCOP-UHFFFAOYSA-N 0 1 473.183 4.975 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)n2)cc1 ZINC000009494361 555278499 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556082820 /nfs/dbraw/zinc/08/28/20/556082820.db2.gz UFLVCKIGSJEZAU-QGZVFWFLSA-N 0 1 483.375 4.557 50 0 JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(OC)cc4)cc2)N3)C1 ZINC000015947418 556085557 /nfs/dbraw/zinc/08/55/57/556085557.db2.gz VCNQZWSXROPYAL-QFIPXVFZSA-N 0 1 463.559 4.783 50 0 JJAAMN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736635 556105770 /nfs/dbraw/zinc/10/57/70/556105770.db2.gz HJTHFUNSTIPAKL-GTNSWQLSSA-N 0 1 460.283 4.950 50 0 JJAAMN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736631 556105814 /nfs/dbraw/zinc/10/58/14/556105814.db2.gz HJTHFUNSTIPAKL-APPDUMDISA-N 0 1 460.283 4.950 50 0 JJAAMN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016024780 556115295 /nfs/dbraw/zinc/11/52/95/556115295.db2.gz BEFFBZIVZYKLRJ-UHFFFAOYSA-N 0 1 490.610 4.739 50 0 JJAAMN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000012859965 556119017 /nfs/dbraw/zinc/11/90/17/556119017.db2.gz 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Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000017041123 556207792 /nfs/dbraw/zinc/20/77/92/556207792.db2.gz IPFONIWPBSZRIE-GDLZYMKVSA-N 0 1 480.612 4.526 50 0 JJAAMN COc1cc(CN[C@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000025358971 556210498 /nfs/dbraw/zinc/21/04/98/556210498.db2.gz KBXRCKQYGRZMIM-MRXNPFEDSA-N 0 1 459.468 4.977 50 0 JJAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000025395722 556212991 /nfs/dbraw/zinc/21/29/91/556212991.db2.gz MLNBVQDVQJHJAB-UHFFFAOYSA-N 0 1 488.631 4.636 50 0 JJAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025451893 556216431 /nfs/dbraw/zinc/21/64/31/556216431.db2.gz TYBXEGKVEUCUKP-UHFFFAOYSA-N 0 1 456.467 4.557 50 0 JJAAMN CS(=O)(=O)c1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000026129844 556250163 /nfs/dbraw/zinc/25/01/63/556250163.db2.gz ORFFJQAMSXUOIK-HXUWFJFHSA-N 0 1 473.476 4.505 50 0 JJAAMN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017304832 556253611 /nfs/dbraw/zinc/25/36/11/556253611.db2.gz VTIWTNSJYFNRDV-UHFFFAOYSA-N 0 1 479.341 4.818 50 0 JJAAMN CCOc1ccc(-n2c3nc(SCC(=O)Nc4cccc(C)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000017315333 556257002 /nfs/dbraw/zinc/25/70/02/556257002.db2.gz NDUXTEKNMKDQCZ-UHFFFAOYSA-N 0 1 484.628 4.943 50 0 JJAAMN CCOc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[nH]1 ZINC000017315967 556258012 /nfs/dbraw/zinc/25/80/12/556258012.db2.gz LCZAPTIETYOVHR-UHFFFAOYSA-N 0 1 484.628 4.943 50 0 JJAAMN CCCCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[nH]1 ZINC000017889585 556270070 /nfs/dbraw/zinc/27/00/70/556270070.db2.gz PODRENQZVLJRTP-UHFFFAOYSA-N 0 1 478.665 4.644 50 0 JJAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3cccs3)ccc2Cl)cc1 ZINC000017909784 556270655 /nfs/dbraw/zinc/27/06/55/556270655.db2.gz OMIWNQRXZPRPEU-UHFFFAOYSA-N 0 1 464.996 4.574 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000018067445 556282654 /nfs/dbraw/zinc/28/26/54/556282654.db2.gz FUHUCYVVVBYMKK-XMMPIXPASA-N 0 1 476.920 4.599 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018116251 556289678 /nfs/dbraw/zinc/28/96/78/556289678.db2.gz OVBRODNAMZDVAL-SMIHKQSGSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018159373 556296221 /nfs/dbraw/zinc/29/62/21/556296221.db2.gz IPPSRKGTQIMDNV-FSSWDIPSSA-N 0 1 479.330 4.509 50 0 JJAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1c(F)cc(F)cc1Br ZINC000018179856 556298963 /nfs/dbraw/zinc/29/89/63/556298963.db2.gz CVPOXRIWMSXYDV-UHFFFAOYSA-N 0 1 459.703 4.897 50 0 JJAAMN COc1ccc(-c2cc(NS(=O)(=O)c3cc(Br)ccc3OC)ccc2OC)cc1 ZINC000018708038 556323723 /nfs/dbraw/zinc/32/37/23/556323723.db2.gz MXKKSJPPPZNBQH-UHFFFAOYSA-N 0 1 478.364 4.943 50 0 JJAAMN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000028289894 556327975 /nfs/dbraw/zinc/32/79/75/556327975.db2.gz GFXNKJCWYWMZNJ-QGZVFWFLSA-N 0 1 475.408 4.964 50 0 JJAAMN CN(C)[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289674 556328011 /nfs/dbraw/zinc/32/80/11/556328011.db2.gz SBCJYQHFFGBGAZ-IBGZPJMESA-N 0 1 471.395 4.886 50 0 JJAAMN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NCCCN1CCCC1=O)c1ccccc1 ZINC000013129814 556354045 /nfs/dbraw/zinc/35/40/45/556354045.db2.gz DXRJINNRJBOBIZ-HXUWFJFHSA-N 0 1 453.892 4.641 50 0 JJAAMN COc1cc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc(OC)c1OC ZINC000031816100 556407480 /nfs/dbraw/zinc/40/74/80/556407480.db2.gz XJVCLVTYPRSAIG-JOCHJYFZSA-N 0 1 479.558 4.501 50 0 JJAAMN O=C([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000032946560 556561562 /nfs/dbraw/zinc/56/15/62/556561562.db2.gz JWBAHWAQBNOPKE-UHFFFAOYSA-N 0 1 467.928 4.752 50 0 JJAAMN COc1cccc(-n2c3nc(SCC(=O)Nc4cc(C)cc(C)c4)[nH]c(=O)c3sc2=S)c1 ZINC000032948298 556563270 /nfs/dbraw/zinc/56/32/70/556563270.db2.gz WMLJABDSLSOOGP-UHFFFAOYSA-N 0 1 484.628 4.861 50 0 JJAAMN Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c(C)c1 ZINC000032948540 556564085 /nfs/dbraw/zinc/56/40/85/556564085.db2.gz DIRLJNFWYVTXDH-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN Cc1ccc(CNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3c2=O)cc1 ZINC000006181388 562936912 /nfs/dbraw/zinc/93/69/12/562936912.db2.gz OXQQFTFCVSDWJM-UHFFFAOYSA-N 0 1 489.597 4.691 50 0 aggregator JJAAMN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1 ZINC000052509385 563204744 /nfs/dbraw/zinc/20/47/44/563204744.db2.gz ITTRLTNMFYIYPA-UHFFFAOYSA-N 0 1 494.983 4.551 50 0 in-vivo JJAAMN O=C(c1sc2c(c1Cl)c(OC(F)F)ccc2Br)N1CCN2CCC[C@@H]2C1 ZINC000054972782 569590312 /nfs/dbraw/zinc/59/03/12/569590312.db2.gz CSLGMXKYJFTFCA-SECBINFHSA-N 0 1 465.747 4.839 50 0 JJAAMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000058150018 569602185 /nfs/dbraw/zinc/60/21/85/569602185.db2.gz YUFWOTTZFBTBLM-UHFFFAOYSA-N 0 1 454.571 4.694 50 0 JJAAMN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000064558211 569618627 /nfs/dbraw/zinc/61/86/27/569618627.db2.gz XFBVOIQHPCEUGG-QHCPKHFHSA-N 0 1 491.565 4.675 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[nH]c2=O)cc1 ZINC000064591968 569622134 /nfs/dbraw/zinc/62/21/34/569622134.db2.gz HPDFJGLUBVGDSV-UHFFFAOYSA-N 0 1 492.022 4.742 50 0 JJAAMN COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n(C)c(=O)n3C)cc1 ZINC000064591933 569622171 /nfs/dbraw/zinc/62/21/71/569622171.db2.gz CYPHHPANPRIBFU-UHFFFAOYSA-N 0 1 495.601 4.712 50 0 JJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000033429119 569626218 /nfs/dbraw/zinc/62/62/18/569626218.db2.gz QCIYVZIAYZGTKY-HOFKKMOUSA-N 0 1 486.959 4.701 50 0 JJAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(Br)s2)cc1 ZINC000034145165 569639702 /nfs/dbraw/zinc/63/97/02/569639702.db2.gz YFSZAEZNBABLFF-MOPGFXCFSA-N 0 1 467.344 4.572 50 0 JJAAMN COc1ccccc1CCNC(=O)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000034684877 569644917 /nfs/dbraw/zinc/64/49/17/569644917.db2.gz COKMKMRQDUTLIL-UHFFFAOYSA-N 0 1 457.618 4.607 50 0 JJAAMN Cc1ccc(C(=O)NC[C@H]2CCCO2)c(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000034725674 569652794 /nfs/dbraw/zinc/65/27/94/569652794.db2.gz XYUJXYMBLDOAMJ-OAQYLSRUSA-N 0 1 461.528 4.697 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(F)c3)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036276 569653206 /nfs/dbraw/zinc/65/32/06/569653206.db2.gz ULGSSLGXYGNRGU-UHFFFAOYSA-N 0 1 490.626 4.722 50 0 JJAAMN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CCN(C)CC3)o2)cc1 ZINC000065036846 569653614 /nfs/dbraw/zinc/65/36/14/569653614.db2.gz WAVXZPZOSMZOIV-UHFFFAOYSA-N 0 1 475.637 4.601 50 0 JJAAMN CC(C)N1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000034761385 569657768 /nfs/dbraw/zinc/65/77/68/569657768.db2.gz RMVREOYNAPAVDM-JCMHNJIXSA-N 0 1 484.021 4.743 50 0 JJAAMN O=C(Cc1ccc(Cl)cc1Cl)N1CCc2[nH]nc(C(=O)N[C@H]3CCCc4ccccc43)c2C1 ZINC000034797177 569660982 /nfs/dbraw/zinc/66/09/82/569660982.db2.gz WNDLNADHUUUVTR-NRFANRHFSA-N 0 1 483.399 4.651 50 0 JJAAMN CCCCCC(=O)N1CCN(C(=O)[C@@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830324 569663966 /nfs/dbraw/zinc/66/39/66/569663966.db2.gz KHSPAIOCCREAAE-RLWLMLJZSA-N 0 1 467.679 4.644 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)c3ccc(C)cc3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831230 569664165 /nfs/dbraw/zinc/66/41/65/569664165.db2.gz IDAHRWFOQVEBGR-UHFFFAOYSA-N 0 1 459.638 4.682 50 0 JJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)NC(C)(C)C ZINC000034832190 569664448 /nfs/dbraw/zinc/66/44/48/569664448.db2.gz JGENHXCFJGWARU-IBGZPJMESA-N 0 1 472.653 4.570 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Cc1ccccc1 ZINC000034832056 569664465 /nfs/dbraw/zinc/66/44/65/569664465.db2.gz XNPTUEGDABWFAR-JOCHJYFZSA-N 0 1 491.655 4.832 50 0 JJAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1cccs1 ZINC000034834632 569664807 /nfs/dbraw/zinc/66/48/07/569664807.db2.gz HVPJANIGCYPKDH-UHFFFAOYSA-N 0 1 465.667 4.683 50 0 JJAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)COc1ccccc1 ZINC000034834974 569664879 /nfs/dbraw/zinc/66/48/79/569664879.db2.gz RJRHLSRVMKDTIC-QHCPKHFHSA-N 0 1 489.664 4.529 50 0 JJAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)NC1CCCCC1 ZINC000034835240 569664972 /nfs/dbraw/zinc/66/49/72/569664972.db2.gz MPXIRWCDXTXQGR-JOCHJYFZSA-N 0 1 480.701 4.965 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)C1CCCCC1 ZINC000034835494 569665133 /nfs/dbraw/zinc/66/51/33/569665133.db2.gz PSNVJDMRZNYECG-UHFFFAOYSA-N 0 1 469.649 4.781 50 0 JJAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(CC)CC2)c1CN(CC)Cc1ccsc1 ZINC000034836361 569665251 /nfs/dbraw/zinc/66/52/51/569665251.db2.gz IMIRMFHQFXFVHF-UHFFFAOYSA-N 0 1 455.647 4.799 50 0 JJAAMN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(CCOC)Cc1ccccc1Cl ZINC000034836992 569666287 /nfs/dbraw/zinc/66/62/87/569666287.db2.gz RQVVWPLIXYKKGF-UHFFFAOYSA-N 0 1 496.099 4.879 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000065116197 569666384 /nfs/dbraw/zinc/66/63/84/569666384.db2.gz JOFZWRUBUNJCEB-UHFFFAOYSA-N 0 1 457.552 4.795 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137435 569668215 /nfs/dbraw/zinc/66/82/15/569668215.db2.gz QSEMABGACGGITN-UHFFFAOYSA-N 0 1 498.552 4.513 50 0 JJAAMN CCOC(=O)C1C(CSc2cc(Cl)ccc2Cl)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000066089498 569676969 /nfs/dbraw/zinc/67/69/69/569676969.db2.gz TVWLVXYPXUYKPD-IBGZPJMESA-N 0 1 467.374 4.965 50 0 JJAAMN O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)c2)n[nH]1 ZINC000035378079 569685802 /nfs/dbraw/zinc/68/58/02/569685802.db2.gz AFTNYXGFDDKOKS-UHFFFAOYSA-N 0 1 453.907 4.683 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397193 569687942 /nfs/dbraw/zinc/68/79/42/569687942.db2.gz FYVXAHGUCVOVFA-UHFFFAOYSA-N 0 1 489.414 4.583 50 0 JJAAMN Cc1nnc(SCc2c3ccccc3oc2C(=O)NCC2(N3CCSCC3)CCCC2)s1 ZINC000068812512 569692171 /nfs/dbraw/zinc/69/21/71/569692171.db2.gz FRVIGYOLVZVBAT-UHFFFAOYSA-N 0 1 488.704 4.976 50 0 JJAAMN CC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000071328655 569697023 /nfs/dbraw/zinc/69/70/23/569697023.db2.gz JMGLKYPQZRRLFN-NRFANRHFSA-N 0 1 467.930 4.874 50 0 JJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000072280448 569701721 /nfs/dbraw/zinc/70/17/21/569701721.db2.gz KAYSHVRBJJADMY-RUZDIDTESA-N 0 1 492.019 4.584 50 0 JJAAMN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)ccc1OCCc1ccccc1 ZINC000072406429 569703897 /nfs/dbraw/zinc/70/38/97/569703897.db2.gz VMJNOJCXSVSIIA-LJQANCHMSA-N 0 1 495.543 4.601 50 0 JJAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2cccs2)o1 ZINC000035809328 569712368 /nfs/dbraw/zinc/71/23/68/569712368.db2.gz IACOGTWVPYUIIC-UHFFFAOYSA-N 0 1 493.673 4.849 50 0 JJAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2ccccc2)C1=O ZINC000035829413 569712892 /nfs/dbraw/zinc/71/28/92/569712892.db2.gz WVHMAKSHZUIRDJ-UQQQWYQISA-N 0 1 478.552 4.878 50 0 JJAAMN Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[nH]n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000035829457 569712915 /nfs/dbraw/zinc/71/29/15/569712915.db2.gz ZFNVZUMMXYHHDB-UQQQWYQISA-N 0 1 464.525 4.570 50 0 JJAAMN CCN1CCN(c2c(C)c(C(=O)N[C@H](C)c3ccccc3)n(Cc3ccc(F)cc3)c2C)CC1 ZINC000035835083 569713307 /nfs/dbraw/zinc/71/33/07/569713307.db2.gz VQRPFEZJBDWZMV-OAQYLSRUSA-N 0 1 462.613 4.925 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871761 569718942 /nfs/dbraw/zinc/71/89/42/569718942.db2.gz MERTWDHXFPMKRY-IYKJZBSOSA-N 0 1 473.592 4.575 50 0 JJAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000089884844 569720380 /nfs/dbraw/zinc/72/03/80/569720380.db2.gz PWNLSVJQDQTXKH-UHFFFAOYSA-N 0 1 494.960 4.762 50 0 JJAAMN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(Cc4ccccn4)CC3)n2)cc1 ZINC000035927818 569730733 /nfs/dbraw/zinc/73/07/33/569730733.db2.gz TXNJNNPHGYMZPK-UHFFFAOYSA-N 0 1 489.627 4.822 50 0 JJAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c(OC)c1OC ZINC000096115178 569734190 /nfs/dbraw/zinc/73/41/90/569734190.db2.gz BHIKRVFJIGDZEN-MRXNPFEDSA-N 0 1 474.465 4.632 50 0 biogenic JJAAMN CC[C@@H](NC(=O)Cc1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1 ZINC000036048333 569755936 /nfs/dbraw/zinc/75/59/36/569755936.db2.gz UULIMZKPEUSURA-IRPSRAIASA-N 0 1 458.602 4.941 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092918 569756762 /nfs/dbraw/zinc/75/67/62/569756762.db2.gz QZYYJTASRLKQIG-HDMKZQKVSA-N 0 1 456.612 4.660 50 0 JJAAMN CCCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313800 569761191 /nfs/dbraw/zinc/76/11/91/569761191.db2.gz WKONWJWEWNAHPJ-JOCHJYFZSA-N 0 1 467.610 4.888 50 0 JJAAMN CCCCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036313962 569761704 /nfs/dbraw/zinc/76/17/04/569761704.db2.gz MZRPBXXRJOLCOJ-DEOSSOPVSA-N 0 1 481.637 4.814 50 0 JJAAMN Cc1nc(-c2ccccc2)nc(N2CCN(CC(C)(C)O)CC2)c1Cc1cccc(Cl)c1 ZINC000036316560 569763303 /nfs/dbraw/zinc/76/33/03/569763303.db2.gz BXJCZISSAUOVJH-UHFFFAOYSA-N 0 1 451.014 4.589 50 0 JJAAMN Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000036340152 569763567 /nfs/dbraw/zinc/76/35/67/569763567.db2.gz GSHGTYFPTCOJEC-SANMLTNESA-N 0 1 488.676 4.649 50 0 JJAAMN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC[C@H]2C)c(OC)c1 ZINC000036344228 569766869 /nfs/dbraw/zinc/76/68/69/569766869.db2.gz PNKCHSXWLUQKDV-HXOBKFHXSA-N 0 1 455.986 4.909 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346103 569769006 /nfs/dbraw/zinc/76/90/06/569769006.db2.gz QGJMAYSCTSWGFY-JOCHJYFZSA-N 0 1 453.558 4.722 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346713 569770542 /nfs/dbraw/zinc/77/05/42/569770542.db2.gz DJYICQZOZCXBFD-JOCHJYFZSA-N 0 1 459.537 4.859 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COCC ZINC000036346671 569770562 /nfs/dbraw/zinc/77/05/62/569770562.db2.gz QKTSHMOZZUXPFN-QFIPXVFZSA-N 0 1 459.537 4.861 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036346766 569770874 /nfs/dbraw/zinc/77/08/74/569770874.db2.gz FGXFKHKIMRDNLO-JOCHJYFZSA-N 0 1 459.537 4.861 50 0 JJAAMN COCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000100872379 569773076 /nfs/dbraw/zinc/77/30/76/569773076.db2.gz HKWAVKJTROPWMX-QPLCGJKRSA-N 0 1 495.626 4.508 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000100885301 569774205 /nfs/dbraw/zinc/77/42/05/569774205.db2.gz XGWGFGYXGUMXJS-ZRBLBEILSA-N 0 1 482.895 4.547 50 0 JJAAMN COc1ccc(-c2cc(C(F)F)nc(N3CCN(Cc4cccc(C)c4)CC3)n2)cc1OC ZINC000036613708 569778142 /nfs/dbraw/zinc/77/81/42/569778142.db2.gz RUSNWZXPTHDMAZ-UHFFFAOYSA-N 0 1 454.521 4.729 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000101224899 569787556 /nfs/dbraw/zinc/78/75/56/569787556.db2.gz BVVWUAPNOGNLQI-ZRBLBEILSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000101241072 569787905 /nfs/dbraw/zinc/78/79/05/569787905.db2.gz KCPNSCLXHOLDPK-BDTNDASRSA-N 0 1 479.330 4.509 50 0 JJAAMN CCc1cc([C@H](c2ccc3c(c2)OCO3)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546556 569803288 /nfs/dbraw/zinc/80/32/88/569803288.db2.gz DJAWPJLXGJPUOQ-QHCPKHFHSA-N 0 1 467.591 4.611 50 0 JJAAMN CCOC(=O)c1cccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)c1 ZINC000101828098 569805516 /nfs/dbraw/zinc/80/55/16/569805516.db2.gz IDTRDVXQHYJFFJ-UHFFFAOYSA-N 0 1 466.497 4.556 50 0 JJAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102726165 569817707 /nfs/dbraw/zinc/81/77/07/569817707.db2.gz FXRVZIUSXVMWPB-YPAWHYETSA-N 0 1 485.323 4.759 50 0 JJAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102745189 569819714 /nfs/dbraw/zinc/81/97/14/569819714.db2.gz JPEMRARTJNKTAG-TWJOJJKGSA-N 0 1 472.541 4.925 50 0 JJAAMN O=C(CNC1(c2ccc(Br)cc2)CCOCC1)Nc1ccccc1C(F)(F)F ZINC000040155685 569820803 /nfs/dbraw/zinc/82/08/03/569820803.db2.gz BLIBEFKXDBYVOS-UHFFFAOYSA-N 0 1 457.290 4.702 50 0 JJAAMN COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)N1CCCCC1 ZINC000040156819 569821369 /nfs/dbraw/zinc/82/13/69/569821369.db2.gz FXBWHUOKDDFMGR-OAQYLSRUSA-N 0 1 470.976 4.939 50 0 JJAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cccc(Cl)c3C)c(Br)cc2C[C@@H]1C ZINC000040450644 569828714 /nfs/dbraw/zinc/82/87/14/569828714.db2.gz OBIGJQRBMVSMKX-JTQLQIEISA-N 0 1 457.777 4.509 50 0 JJAAMN CC(C)OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983083 569847993 /nfs/dbraw/zinc/84/79/93/569847993.db2.gz ZTJDULXERPKFLT-WOJBJXKFSA-N 0 1 451.394 4.775 50 0 JJAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104983367 569848291 /nfs/dbraw/zinc/84/82/91/569848291.db2.gz XNFRTBQDIRKQFD-AZGAKELHSA-N 0 1 478.564 4.578 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984505 569848560 /nfs/dbraw/zinc/84/85/60/569848560.db2.gz QHKWLNBGJNTFPS-FCHUYYIVSA-N 0 1 468.491 4.626 50 0 JJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000105061784 569852703 /nfs/dbraw/zinc/85/27/03/569852703.db2.gz VSGIDOHNUYLSLK-AMGIVPHBSA-N 0 1 487.669 4.767 50 0 JJAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000137831179 569865342 /nfs/dbraw/zinc/86/53/42/569865342.db2.gz JPEMRARTJNKTAG-JIMJEQGWSA-N 0 1 472.541 4.925 50 0 JJAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137833032 569865370 /nfs/dbraw/zinc/86/53/70/569865370.db2.gz ZBBNWERRMZMRTL-BHDDXSALSA-N 0 1 463.331 4.809 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000143604589 569867666 /nfs/dbraw/zinc/86/76/66/569867666.db2.gz YRLAJCYNFMQPET-YTFSRNRJSA-N 0 1 493.357 4.817 50 0 JJAAMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CNCC[NH+](CC)CC ZINC000208014413 569874886 /nfs/dbraw/zinc/87/48/86/569874886.db2.gz DPYLWGPHBPOKQL-UHFFFAOYSA-N 0 1 488.426 4.707 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226838279 570038812 /nfs/dbraw/zinc/03/88/12/570038812.db2.gz IANPEITYHOBCRU-FQJHJXCSSA-N 0 1 468.940 4.902 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000226828240 570038823 /nfs/dbraw/zinc/03/88/23/570038823.db2.gz ZYUISDLOMKBHPH-YTFSRNRJSA-N 0 1 493.357 4.817 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000226838770 570038921 /nfs/dbraw/zinc/03/89/21/570038921.db2.gz GTXSJEFBMPBIQJ-FQJHJXCSSA-N 0 1 468.940 4.902 50 0 JJAAMN COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230128859 570045212 /nfs/dbraw/zinc/04/52/12/570045212.db2.gz ZEFCGJSJTKYJJU-VPUSJEBWSA-N 0 1 476.020 4.528 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230128859 570045213 /nfs/dbraw/zinc/04/52/13/570045213.db2.gz ZEFCGJSJTKYJJU-VPUSJEBWSA-N 0 1 476.020 4.528 50 0 JJAAMN COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230128853 570045277 /nfs/dbraw/zinc/04/52/77/570045277.db2.gz ZEFCGJSJTKYJJU-BDYUSTAISA-N 0 1 476.020 4.528 50 0 JJAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230128853 570045279 /nfs/dbraw/zinc/04/52/79/570045279.db2.gz ZEFCGJSJTKYJJU-BDYUSTAISA-N 0 1 476.020 4.528 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2C)c(OC)c1 ZINC000238923556 570047790 /nfs/dbraw/zinc/04/77/90/570047790.db2.gz OUCXTBPREUSLHD-VXNXHJTFSA-N 0 1 478.932 4.717 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245279492 570061530 /nfs/dbraw/zinc/06/15/30/570061530.db2.gz GGBVMSNYIDJUPB-XZOQPEGZSA-N 0 1 497.611 4.785 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245313063 570063913 /nfs/dbraw/zinc/06/39/13/570063913.db2.gz ZKNBHWFVWAVUHP-AQWTWLKTSA-N 0 1 466.512 4.696 50 0 JJAAMN CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327085 570065134 /nfs/dbraw/zinc/06/51/34/570065134.db2.gz ISENYQZDMULMJQ-DENIHFKCSA-N 0 1 465.059 4.635 50 0 JJAAMN COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247922762 570071248 /nfs/dbraw/zinc/07/12/48/570071248.db2.gz YGFQKQVSLJASEJ-RUZDIDTESA-N 0 1 482.628 4.664 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247922762 570071249 /nfs/dbraw/zinc/07/12/49/570071249.db2.gz YGFQKQVSLJASEJ-RUZDIDTESA-N 0 1 482.628 4.664 50 0 JJAAMN CC(C)NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988554 570072262 /nfs/dbraw/zinc/07/22/62/570072262.db2.gz 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KNEDGMZZQWLIGK-UHFFFAOYSA-N 0 1 458.923 4.922 50 0 JJAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c(OC)c1 ZINC000008961398 554837854 /nfs/dbraw/zinc/83/78/54/554837854.db2.gz NSZFUEVKFYSLOA-UHFFFAOYSA-N 0 1 460.895 4.516 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000009009855 554863481 /nfs/dbraw/zinc/86/34/81/554863481.db2.gz IMVYVTQUFREZRA-ZOJNDGCKSA-N 0 1 454.551 4.619 50 0 JJAAMN C[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009050148 554871688 /nfs/dbraw/zinc/87/16/88/554871688.db2.gz VOLSNRPWHYFOJQ-HXUWFJFHSA-N 0 1 485.584 4.610 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009111282 554898531 /nfs/dbraw/zinc/89/85/31/554898531.db2.gz IANPEITYHOBCRU-KALPRAJFSA-N 0 1 468.940 4.902 50 0 JJAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccco2)ccc1O ZINC000009124116 554914962 /nfs/dbraw/zinc/91/49/62/554914962.db2.gz FVNJVKRIGOXVKM-DEOSSOPVSA-N 0 1 459.502 4.842 50 0 JJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2cccc(OCCC(C)C)c2)N(CCCO)C3=O)c1 ZINC000009124514 554915929 /nfs/dbraw/zinc/91/59/29/554915929.db2.gz JAGPHOSBKWQVMJ-VWLOTQADSA-N 0 1 463.578 4.752 50 0 JJAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccccc4F)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000009127540 554922596 /nfs/dbraw/zinc/92/25/96/554922596.db2.gz IIVDEVFSHUTMGK-FQEVSTJZSA-N 0 1 477.521 4.682 50 0 JJAAMN Nn1c(SCc2ccc(Br)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000009187097 554959388 /nfs/dbraw/zinc/95/93/88/554959388.db2.gz RXMWSILHJPBAPZ-UHFFFAOYSA-N 0 1 461.776 4.757 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(OCCC(C)C)c2)N(CCO)C3=O)cc1Cl ZINC000009242898 555017720 /nfs/dbraw/zinc/01/77/20/555017720.db2.gz HKTRWRIWQXJMLV-XMMPIXPASA-N 0 1 469.969 4.707 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(OCCC(C)C)c2)N(CCO)C3=O)cc1Cl ZINC000009242899 555017766 /nfs/dbraw/zinc/01/77/66/555017766.db2.gz HKTRWRIWQXJMLV-DEOSSOPVSA-N 0 1 469.969 4.707 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)(C)C)cc2)N(CCCO)C3=O)cc1Cl ZINC000009243253 555018230 /nfs/dbraw/zinc/01/82/30/555018230.db2.gz AHTSQHDJVGKHLN-QHCPKHFHSA-N 0 1 453.970 4.969 50 0 JJAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009293040 555068125 /nfs/dbraw/zinc/06/81/25/555068125.db2.gz TZWKJLVKMXNFGT-RUZDIDTESA-N 0 1 470.529 4.644 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000009315640 555090750 /nfs/dbraw/zinc/09/07/50/555090750.db2.gz OWXGQYIBSGMXLJ-UHFFFAOYSA-N 0 1 462.930 4.778 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)ccc2OC)cc1 ZINC000009376740 555137836 /nfs/dbraw/zinc/13/78/36/555137836.db2.gz DSPYLIJTOHUXDC-JKSUJKDBSA-N 0 1 482.558 4.641 50 0 JJAAMN CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009402776 555160526 /nfs/dbraw/zinc/16/05/26/555160526.db2.gz MKAFHSDYMYPUEW-UHFFFAOYSA-N 0 1 471.387 4.619 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCC1 ZINC000009403165 555161327 /nfs/dbraw/zinc/16/13/27/555161327.db2.gz YWBXFDVLFMIKFI-UHFFFAOYSA-N 0 1 457.596 4.615 50 0 JJAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C ZINC000009408929 555172071 /nfs/dbraw/zinc/17/20/71/555172071.db2.gz COWOGRGYGLOMAN-UZTOHYMASA-N 0 1 491.588 4.940 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009409007 555172605 /nfs/dbraw/zinc/17/26/05/555172605.db2.gz ZNLCSLDLOPEHBG-RUZDIDTESA-N 0 1 459.502 4.918 50 0 JJAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000009409066 555172752 /nfs/dbraw/zinc/17/27/52/555172752.db2.gz NDBKHSULTGRBMP-SANMLTNESA-N 0 1 479.577 4.798 50 0 JJAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC)cc1OC ZINC000009409068 555172798 /nfs/dbraw/zinc/17/27/98/555172798.db2.gz XWNQCUQIYZMTBI-VWLOTQADSA-N 0 1 465.550 4.552 50 0 JJAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000009435769 555207405 /nfs/dbraw/zinc/20/74/05/555207405.db2.gz LIUNURVBBJIKTO-SFHVURJKSA-N 0 1 463.578 4.635 50 0 JJAAMN COc1ccc(NC(=O)COc2ccccc2O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009442894 555215610 /nfs/dbraw/zinc/21/56/10/555215610.db2.gz VZIZLEOPXZTPKC-UHFFFAOYSA-N 0 1 497.356 4.526 50 0 JJAAMN C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009515115 555306162 /nfs/dbraw/zinc/30/61/62/555306162.db2.gz NHYBCEPMYJONRA-FQEVSTJZSA-N 0 1 457.574 4.587 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(-c4ccc(Cl)cc4)nn3C)n2)cc1 ZINC000009639903 555349370 /nfs/dbraw/zinc/34/93/70/555349370.db2.gz GQAAGJCTCFNVNQ-UHFFFAOYSA-N 0 1 452.971 4.819 50 0 JJAAMN CCn1c(CSc2nc(-c3ccc(C)cc3)n[nH]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009645436 555357913 /nfs/dbraw/zinc/35/79/13/555357913.db2.gz UNLQFFOJSYCNMI-UHFFFAOYSA-N 0 1 496.662 4.617 50 0 JJAAMN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O ZINC000009660393 555364284 /nfs/dbraw/zinc/36/42/84/555364284.db2.gz QRJBEYDQUCXEGM-UHFFFAOYSA-N 0 1 473.377 4.837 50 0 JJAAMN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000009660363 555364324 /nfs/dbraw/zinc/36/43/24/555364324.db2.gz ANBMVVKUSKSRTO-UHFFFAOYSA-N 0 1 473.377 4.919 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCc2ccsc2)ccc1N1CCCC1 ZINC000009672348 555394112 /nfs/dbraw/zinc/39/41/12/555394112.db2.gz AXKMWBGHEKMJJM-UHFFFAOYSA-N 0 1 485.631 4.729 50 0 JJAAMN Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009715097 555446444 /nfs/dbraw/zinc/44/64/44/555446444.db2.gz VKJUUVKQNNCSSS-UHFFFAOYSA-N 0 1 460.342 4.802 50 0 JJAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009778069 555496505 /nfs/dbraw/zinc/49/65/05/555496505.db2.gz CCOGSQUKCMTECI-JWQCQUIFSA-N 0 1 454.526 4.927 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3ccccc3C2=O)C(=O)N1c1ccc(C)cc1 ZINC000009778087 555496554 /nfs/dbraw/zinc/49/65/54/555496554.db2.gz MNBLJIJVIYQJAT-YADHBBJMSA-N 0 1 491.341 4.519 50 0 JJAAMN CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000009778124 555496845 /nfs/dbraw/zinc/49/68/45/555496845.db2.gz DSZSGXRSFVBROC-XZOQPEGZSA-N 0 1 460.917 4.800 50 0 JJAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)n2)cc1 ZINC000009795170 555512827 /nfs/dbraw/zinc/51/28/27/555512827.db2.gz JBERXIYADKFXPL-UHFFFAOYSA-N 0 1 452.536 4.643 50 0 JJAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21 ZINC000019889979 555529175 /nfs/dbraw/zinc/52/91/75/555529175.db2.gz JKKFBAUOTAGHQL-UHFFFAOYSA-N 0 1 459.590 4.855 50 0 JJAAMN Cc1ccccc1Cc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000019991314 555576614 /nfs/dbraw/zinc/57/66/14/555576614.db2.gz CDQDAKFZYITOOL-UHFFFAOYSA-N 0 1 464.613 4.889 50 0 JJAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013788158 555620124 /nfs/dbraw/zinc/62/01/24/555620124.db2.gz HHBJMBDMRPNYGU-CYXNTTPDSA-N 0 1 472.541 4.844 50 0 JJAAMN COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1F ZINC000014023641 555674461 /nfs/dbraw/zinc/67/44/61/555674461.db2.gz GVIABNHHITVGLR-CQSZACIVSA-N 0 1 492.956 4.788 50 0 JJAAMN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](N(C)Cc2nc(-c3ccccc3)no2)C4)cc1 ZINC000020168003 555678402 /nfs/dbraw/zinc/67/84/02/555678402.db2.gz XILYDYODFDPVJW-NRFANRHFSA-N 0 1 497.624 4.854 50 0 JJAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000014230504 555737048 /nfs/dbraw/zinc/73/70/48/555737048.db2.gz KYVKQGUQUUCNEZ-UHFFFAOYSA-N 0 1 491.657 4.562 50 0 JJAAMN O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000011237567 555768580 /nfs/dbraw/zinc/76/85/80/555768580.db2.gz VUSROWHTSYEOPU-UHFFFAOYSA-N 0 1 470.453 4.778 50 0 JJAAMN COc1ccc2c(c1)c([C@@H](O)CN1CCN(c3ccccc3OC)CC1)c(C)n2Cc1ccccc1 ZINC000020328779 555774446 /nfs/dbraw/zinc/77/44/46/555774446.db2.gz NHTFXEHXFZTWHK-NDEPHWFRSA-N 0 1 485.628 4.871 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)N[C@@H]5CCCC[C@@H]5C)cc4)c3=O)c2c1 ZINC000020331205 555776091 /nfs/dbraw/zinc/77/60/91/555776091.db2.gz IFFGDXNPKRACRW-MGPUTAFESA-N 0 1 476.602 4.906 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)N[C@H]5CCCC[C@@H]5C)cc4)c3=O)c2c1 ZINC000020331209 555776158 /nfs/dbraw/zinc/77/61/58/555776158.db2.gz IFFGDXNPKRACRW-YWZLYKJASA-N 0 1 476.602 4.906 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4c5ccccc5C[C@H]4C)c3=O)c2c1 ZINC000020331659 555777013 /nfs/dbraw/zinc/77/70/13/555777013.db2.gz CHXFSACBXMMUSI-OAHLLOKOSA-N 0 1 462.575 4.697 50 0 JJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000011665597 555794714 /nfs/dbraw/zinc/79/47/14/555794714.db2.gz LKGFMWBMMUDQNM-UHFFFAOYSA-N 0 1 453.545 4.666 50 0 JJAAMN CC(C)C[C@H](C(=O)NCC1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O ZINC000020531412 555799015 /nfs/dbraw/zinc/79/90/15/555799015.db2.gz AIHRZVKQVYKQNF-RUZDIDTESA-N 0 1 468.041 4.739 50 0 JJAAMN Cc1nnc(SCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)[nH]1 ZINC000011706409 555804823 /nfs/dbraw/zinc/80/48/23/555804823.db2.gz NWMOMLFDRDCCRV-UHFFFAOYSA-N 0 1 455.609 4.507 50 0 JJAAMN Cc1n[nH]c(SCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)n1 ZINC000011706409 555804826 /nfs/dbraw/zinc/80/48/26/555804826.db2.gz NWMOMLFDRDCCRV-UHFFFAOYSA-N 0 1 455.609 4.507 50 0 JJAAMN COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl ZINC000020567928 555821441 /nfs/dbraw/zinc/82/14/41/555821441.db2.gz AGOSBMDDRCEMSE-UHFFFAOYSA-N 0 1 460.939 4.719 50 0 JJAAMN Cc1csc(CN(C)[C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)n1 ZINC000015000995 555845830 /nfs/dbraw/zinc/84/58/30/555845830.db2.gz GHJPJWRZVONYTF-GOSISDBHSA-N 0 1 468.623 4.594 50 0 JJAAMN CCN(CCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1)c1ccccc1 ZINC000020644711 555846423 /nfs/dbraw/zinc/84/64/23/555846423.db2.gz JAUKEYHEMRUZRF-UHFFFAOYSA-N 0 1 478.662 4.898 50 0 JJAAMN Cc1cccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[nH]c4=S)CC3)CC2)c1C ZINC000020644508 555846584 /nfs/dbraw/zinc/84/65/84/555846584.db2.gz JRJPSVCNKUUXSW-UHFFFAOYSA-N 0 1 490.673 4.831 50 0 JJAAMN COc1cc(/C=C/CN2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)ccc1O ZINC000015008641 555852520 /nfs/dbraw/zinc/85/25/20/555852520.db2.gz LLNZFEFBTAHAOJ-TWTZQDPRSA-N 0 1 455.624 4.663 50 0 JJAAMN COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000015008200 555852607 /nfs/dbraw/zinc/85/26/07/555852607.db2.gz OQYBVCKTOFTJOK-GCJKJVERSA-N 0 1 450.476 4.866 50 0 JJAAMN c1ccc(Cn2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011910360 555857695 /nfs/dbraw/zinc/85/76/95/555857695.db2.gz GTLJUZLOPCPVOM-QHCPKHFHSA-N 0 1 492.645 4.706 50 0 JJAAMN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccsc2)CC3)c1 ZINC000011910902 555858725 /nfs/dbraw/zinc/85/87/25/555858725.db2.gz PEPWKEQWILDPTJ-QFIPXVFZSA-N 0 1 451.640 4.532 50 0 JJAAMN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H](c4[nH]ncc4Cc4ccccc4)C3)c2)n1 ZINC000011912021 555860247 /nfs/dbraw/zinc/86/02/47/555860247.db2.gz XVYMZSZPDUUFQP-VWLOTQADSA-N 0 1 453.590 4.882 50 0 JJAAMN O=C(Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1)c1sc2ccccc2c1Cl ZINC000011913756 555863701 /nfs/dbraw/zinc/86/37/01/555863701.db2.gz RGFHKCARGHYCGB-UHFFFAOYSA-N 0 1 467.956 4.772 50 0 JJAAMN O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039053 555865631 /nfs/dbraw/zinc/86/56/31/555865631.db2.gz DIFYWVGMEXSQHY-PXJZQJOASA-N 0 1 456.630 4.849 50 0 JJAAMN COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(NC(=O)C2CCCC2)cc1OC ZINC000015080992 555872598 /nfs/dbraw/zinc/87/25/98/555872598.db2.gz RQOFIKDBWUAXBS-JOCHJYFZSA-N 0 1 468.594 4.621 50 0 JJAAMN COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000012074362 555902193 /nfs/dbraw/zinc/90/21/93/555902193.db2.gz HOPDUETVDUAJNS-UHFFFAOYSA-N 0 1 450.558 4.829 50 0 JJAAMN O=C(C[C@H](Sc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1)NCc1cccnc1 ZINC000012139662 555915915 /nfs/dbraw/zinc/91/59/15/555915915.db2.gz LEWLVVPQBNNDOA-FQEVSTJZSA-N 0 1 451.502 4.685 50 0 JJAAMN c1cc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)co1 ZINC000012148846 555920771 /nfs/dbraw/zinc/92/07/71/555920771.db2.gz DYQKFAXVVBKDSY-HSZRJFAPSA-N 0 1 452.624 4.765 50 0 JJAAMN C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1 ZINC000012149223 555921116 /nfs/dbraw/zinc/92/11/16/555921116.db2.gz TXRCTIRBSXXBAE-IJUHEHPCSA-N 0 1 457.496 4.590 50 0 JJAAMN COc1ccc([C@H](CC(=O)NCc2ccco2)Sc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000012176581 555934332 /nfs/dbraw/zinc/93/43/32/555934332.db2.gz KMYCKTLFFJVJNP-FQEVSTJZSA-N 0 1 452.511 4.752 50 0 JJAAMN Cc1ccc(-c2nc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c3n2CCCCC3)cc1 ZINC000015677722 555941542 /nfs/dbraw/zinc/94/15/42/555941542.db2.gz GRVCMIOYPUOCPU-UHFFFAOYSA-N 0 1 471.649 4.527 50 0 JJAAMN CCc1nc2sc([C@H](c3ccc(CC)cc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854723 555961230 /nfs/dbraw/zinc/96/12/30/555961230.db2.gz HZMYEQNBJYTCEW-QHCPKHFHSA-N 0 1 461.635 4.528 50 0 JJAAMN CN1CCN([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2cccs2)CC1 ZINC000022917287 555970990 /nfs/dbraw/zinc/97/09/90/555970990.db2.gz UQBPAFAPWZUKAA-LJQANCHMSA-N 0 1 476.675 4.704 50 0 JJAAMN Cc1ccc(-n2nnn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2=S)c(C)c1 ZINC000022917995 555971922 /nfs/dbraw/zinc/97/19/22/555971922.db2.gz JQUWTLWNGXIUEB-UHFFFAOYSA-N 0 1 470.646 4.780 50 0 JJAAMN O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000022925037 555977284 /nfs/dbraw/zinc/97/72/84/555977284.db2.gz GNESXQMYZWVQKE-XMMPIXPASA-N 0 1 456.508 4.810 50 0 JJAAMN O=C(c1ccc(F)cc1)N1CCCC[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022925049 555977448 /nfs/dbraw/zinc/97/74/48/555977448.db2.gz WGEJWSOSHNTBRB-HHHXNRCGSA-N 0 1 485.603 4.754 50 0 JJAAMN COc1ccc(CN2CCN(CCCOc3cc(C)ccc3C(C)C)CC2)c(OC)c1OC ZINC000022942793 555993155 /nfs/dbraw/zinc/99/31/55/555993155.db2.gz UMUJOMVSRDSRDI-UHFFFAOYSA-N 0 1 456.627 4.731 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000012532541 556003287 /nfs/dbraw/zinc/00/32/87/556003287.db2.gz ZWMMZCWLUUYKIU-UHFFFAOYSA-N 0 1 477.542 4.548 50 0 JJAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)nc4ccccc43)cc2)n1 ZINC000012532542 556003305 /nfs/dbraw/zinc/00/33/05/556003305.db2.gz RZGUEDMOQRWBOV-UHFFFAOYSA-N 0 1 473.558 4.572 50 0 JJAAMN CSc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000023118949 556012527 /nfs/dbraw/zinc/01/25/27/556012527.db2.gz ZDJACXVYXXCVLD-FQEVSTJZSA-N 0 1 455.532 4.879 50 0 JJAAMN CSc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000023118951 556012617 /nfs/dbraw/zinc/01/26/17/556012617.db2.gz ZDJACXVYXXCVLD-HXUWFJFHSA-N 0 1 455.532 4.879 50 0 JJAAMN Cc1cc(I)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000012541605 556015910 /nfs/dbraw/zinc/01/59/10/556015910.db2.gz KLBQCKYSUAOJNM-UHFFFAOYSA-N 0 1 486.556 4.816 50 0 JJAAMN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc12 ZINC000012541722 556016191 /nfs/dbraw/zinc/01/61/91/556016191.db2.gz CDRXBPSDJUMXNT-UHFFFAOYSA-N 0 1 498.634 4.522 50 0 JJAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2ccccc2Cl)CC1 ZINC000023159262 556026635 /nfs/dbraw/zinc/02/66/35/556026635.db2.gz PQIMYGPYSUGXOG-UHFFFAOYSA-N 0 1 481.999 4.589 50 0 JJAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)CSc4nccc(C)n4)cc3C)s2)cc1 ZINC000015862046 556034911 /nfs/dbraw/zinc/03/49/11/556034911.db2.gz JUEHUXMSXBJKKI-UHFFFAOYSA-N 0 1 499.643 4.543 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000012552277 556035012 /nfs/dbraw/zinc/03/50/12/556035012.db2.gz YDBBINLAROHRDE-UHFFFAOYSA-N 0 1 462.527 4.910 50 0 JJAAMN O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000023359837 556048822 /nfs/dbraw/zinc/04/88/22/556048822.db2.gz PPSZKIFBLSCJMP-SFHVURJKSA-N 0 1 467.373 4.703 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1C ZINC000012560884 556053343 /nfs/dbraw/zinc/05/33/43/556053343.db2.gz IWUFVMWTANFOBP-INIZCTEOSA-N 0 1 456.589 4.625 50 0 JJAAMN Oc1ccccc1N1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012561460 556054694 /nfs/dbraw/zinc/05/46/94/556054694.db2.gz YWMUATORDANKFM-HSZRJFAPSA-N 0 1 487.427 4.988 50 0 JJAAMN COc1ccc(-n2c(CCC(=O)N3CCN(CC(C)C)CC3)cc3c2-c2ccccc2CC3)cc1 ZINC000023444095 556061746 /nfs/dbraw/zinc/06/17/46/556061746.db2.gz WFYOYDVVOPJSMP-UHFFFAOYSA-N 0 1 471.645 4.984 50 0 JJAAMN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000012565437 556062326 /nfs/dbraw/zinc/06/23/26/556062326.db2.gz YIPXGRQDCMHEFI-KRWDZBQOSA-N 0 1 455.507 4.672 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000023542292 556077496 /nfs/dbraw/zinc/07/74/96/556077496.db2.gz FFIWXVVYYSTMQX-UHFFFAOYSA-N 0 1 497.598 4.985 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000012583290 556080811 /nfs/dbraw/zinc/08/08/11/556080811.db2.gz FNKXYTQUFVBFTI-UHFFFAOYSA-N 0 1 474.579 4.815 50 0 JJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000015947162 556084696 /nfs/dbraw/zinc/08/46/96/556084696.db2.gz UBQIRKHVANBIFP-FQEVSTJZSA-N 0 1 469.588 4.844 50 0 JJAAMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012932684 556148791 /nfs/dbraw/zinc/14/87/91/556148791.db2.gz PEFBEEUTZQVFCX-XMSQKQJNSA-N 0 1 465.619 4.857 50 0 JJAAMN COc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000024977030 556167050 /nfs/dbraw/zinc/16/70/50/556167050.db2.gz FYUAAGARUYXAMK-UHFFFAOYSA-N 0 1 479.533 4.737 50 0 JJAAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012993055 556185166 /nfs/dbraw/zinc/18/51/66/556185166.db2.gz DWTDESRUKJMXCR-IBGZPJMESA-N 0 1 471.557 4.760 50 0 JJAAMN [O-][C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957644 556188884 /nfs/dbraw/zinc/18/88/84/556188884.db2.gz NCKKYGLSEXQYJW-LIRRHRJNSA-N 0 1 451.857 4.947 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017010259 556199844 /nfs/dbraw/zinc/19/98/44/556199844.db2.gz XPKVFTIJGPADSA-UHFFFAOYSA-N 0 1 450.560 4.706 50 0 JJAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCSC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185366 556204433 /nfs/dbraw/zinc/20/44/33/556204433.db2.gz WIDQGEBCSGTLEG-DYESRHJHSA-N 0 1 462.358 4.581 50 0 JJAAMN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000017041110 556207607 /nfs/dbraw/zinc/20/76/07/556207607.db2.gz SYUBXJXJHWHKJD-GDLZYMKVSA-N 0 1 480.612 4.526 50 0 JJAAMN Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000017041140 556207654 /nfs/dbraw/zinc/20/76/54/556207654.db2.gz UGBRRGHZQGITGH-LJAQVGFWSA-N 0 1 480.612 4.526 50 0 JJAAMN Cc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4Cl)ccc32)cc1 ZINC000017050776 556211698 /nfs/dbraw/zinc/21/16/98/556211698.db2.gz MOYDACQTRHEUCU-UHFFFAOYSA-N 0 1 477.007 4.591 50 0 JJAAMN COc1ccc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000025545037 556220007 /nfs/dbraw/zinc/22/00/07/556220007.db2.gz ZHPJNTFZYLRTRK-UHFFFAOYSA-N 0 1 489.597 4.793 50 0 JJAAMN CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2C)c(=O)[nH]1 ZINC000017269723 556249231 /nfs/dbraw/zinc/24/92/31/556249231.db2.gz FFMIHTRSOQCUJO-UHFFFAOYSA-N 0 1 461.570 4.787 50 0 JJAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000026121576 556249444 /nfs/dbraw/zinc/24/94/44/556249444.db2.gz DVPXLTOBUJCURN-UHFFFAOYSA-N 0 1 450.583 4.704 50 0 JJAAMN CCOc1ccc(-n2c3nc(SCC(=O)NCc4ccc(C)cc4)[nH]c(=O)c3sc2=S)cc1 ZINC000017315313 556256979 /nfs/dbraw/zinc/25/69/79/556256979.db2.gz AFEFPZXHNJGKSI-UHFFFAOYSA-N 0 1 498.655 4.620 50 0 JJAAMN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1 ZINC000017752378 556266183 /nfs/dbraw/zinc/26/61/83/556266183.db2.gz GAZHQWQMDQVGHO-VXNXHJTFSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)c1 ZINC000017916858 556271371 /nfs/dbraw/zinc/27/13/71/556271371.db2.gz DTCMDRMUZCKVQO-BDTNDASRSA-N 0 1 479.330 4.509 50 0 JJAAMN COC(=O)c1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000017968300 556273571 /nfs/dbraw/zinc/27/35/71/556273571.db2.gz LAPBPRQUNKXYNB-VSKRKVRLSA-N 0 1 497.334 4.831 50 0 JJAAMN COc1cccc([C@@H](CNC(=O)c2cccnc2SCc2c(C)noc2C)N2CCCC2)c1 ZINC000027343575 556276536 /nfs/dbraw/zinc/27/65/36/556276536.db2.gz WQMVHYXACWVYGT-HSZRJFAPSA-N 0 1 466.607 4.554 50 0 JJAAMN CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)c1ccccc1 ZINC000018019206 556276791 /nfs/dbraw/zinc/27/67/91/556276791.db2.gz XBBDQLDCDUFHHA-RUZDIDTESA-N 0 1 465.619 4.609 50 0 JJAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000013119740 556331864 /nfs/dbraw/zinc/33/18/64/556331864.db2.gz FPWDNHOTXIIOOJ-QHCPKHFHSA-N 0 1 455.002 4.537 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2ccccc2)cc1OC ZINC000013127102 556342820 /nfs/dbraw/zinc/34/28/20/556342820.db2.gz YBNWPCLPVYNQSD-SANMLTNESA-N 0 1 455.514 4.587 50 0 JJAAMN CC(C)(C)c1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013129515 556352674 /nfs/dbraw/zinc/35/26/74/556352674.db2.gz XCRSAKAHOLSXAM-UHFFFAOYSA-N 0 1 469.534 4.964 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)N2CCCC2)cc1 ZINC000013130171 556355087 /nfs/dbraw/zinc/35/50/87/556355087.db2.gz QUJDAVAAUNDBTJ-AREMUKBSSA-N 0 1 467.573 4.510 50 0 JJAAMN COc1ccc([C@@H](CNC(=O)CSc2nnc(C)n2C2CCCCC2)N2CCCCC2)cc1 ZINC000029770409 556357206 /nfs/dbraw/zinc/35/72/06/556357206.db2.gz XTZKJKPAGZCQRT-HSZRJFAPSA-N 0 1 471.671 4.536 50 0 JJAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4cc(F)ccc42)CC3)cc1OC ZINC000031814157 556406814 /nfs/dbraw/zinc/40/68/14/556406814.db2.gz GBOKJPVBFOUHBW-JOCHJYFZSA-N 0 1 467.522 4.632 50 0 JJAAMN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032097229 556415941 /nfs/dbraw/zinc/41/59/41/556415941.db2.gz CKABTKDRZYRLQH-IBGZPJMESA-N 0 1 497.315 4.682 50 0 JJAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032103095 556417303 /nfs/dbraw/zinc/41/73/03/556417303.db2.gz VDTJCDVYIGGJRX-LJQANCHMSA-N 0 1 452.864 4.573 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000032562853 556445026 /nfs/dbraw/zinc/44/50/26/556445026.db2.gz SUMIBWUIIJXFIW-FQEVSTJZSA-N 0 1 464.591 4.651 50 0 JJAAMN COc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948419 556563728 /nfs/dbraw/zinc/56/37/28/556563728.db2.gz JBGBCHSUQKNCNV-UHFFFAOYSA-N 0 1 470.601 4.553 50 0 JJAAMN Cc1ccc(-n2c3nc(SCC(=O)Nc4cccc(C)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948619 556564251 /nfs/dbraw/zinc/56/42/51/556564251.db2.gz RFIXCGJZGLWYPK-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[nH]2)cc1 ZINC000032948609 556564277 /nfs/dbraw/zinc/56/42/77/556564277.db2.gz KLJZTIJUFNEQGG-UHFFFAOYSA-N 0 1 468.629 4.530 50 0 JJAAMN Cc1cc(O)c([C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617144 562948184 /nfs/dbraw/zinc/94/81/84/562948184.db2.gz IXNZTVAYBUWDPR-MHZLTWQESA-N 0 1 473.548 4.554 50 0 aggregator JJAAMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061880687 563209684 /nfs/dbraw/zinc/20/96/84/563209684.db2.gz OPAGWTVJTNEONK-MRXNPFEDSA-N 0 1 484.449 4.766 50 0 JJAAMN CCNC(=O)COc1ccc(-c2cccs2)cc1CN1CCN(c2cccc(C)c2C)CC1 ZINC000055036079 569590501 /nfs/dbraw/zinc/59/05/01/569590501.db2.gz LJONZBVTZSMQHD-UHFFFAOYSA-N 0 1 463.647 4.869 50 0 JJAAMN COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCC2 ZINC000055505522 569591985 /nfs/dbraw/zinc/59/19/85/569591985.db2.gz LWCYEDGSFOEPEM-INIZCTEOSA-N 0 1 477.586 4.565 50 0 JJAAMN Clc1ccc(-c2nnn3c2nc(N2CCN(Cc4ccccc4)CC2)c2ccccc23)cc1 ZINC000056968684 569593798 /nfs/dbraw/zinc/59/37/98/569593798.db2.gz ZTXCZIJNBOIFCS-UHFFFAOYSA-N 0 1 454.965 4.920 50 0 JJAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl)N1CCC1 ZINC000008706642 569594495 /nfs/dbraw/zinc/59/44/95/569594495.db2.gz MIKRZVVEGHGDTK-UHFFFAOYSA-N 0 1 453.269 4.659 50 0 JJAAMN COc1ccc(NC(=O)Cc2c(C)noc2C)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000008710341 569595632 /nfs/dbraw/zinc/59/56/32/569595632.db2.gz BQQUQWBZLCHTOV-UHFFFAOYSA-N 0 1 484.361 4.589 50 0 JJAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000057383647 569599492 /nfs/dbraw/zinc/59/94/92/569599492.db2.gz LKDUTCIPMHJZIB-OAHLLOKOSA-N 0 1 451.910 4.610 50 0 JJAAMN C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2ccccc2c1 ZINC000057383301 569599532 /nfs/dbraw/zinc/59/95/32/569599532.db2.gz ASQQMFOBDAGJHN-QGZVFWFLSA-N 0 1 472.010 4.567 50 0 JJAAMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000008727149 569601161 /nfs/dbraw/zinc/60/11/61/569601161.db2.gz YRKWIUHEKZSVPM-JOCHJYFZSA-N 0 1 463.603 4.886 50 0 JJAAMN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000060365671 569608932 /nfs/dbraw/zinc/60/89/32/569608932.db2.gz SQKZTHXKPALHFI-UHFFFAOYSA-N 0 1 468.523 4.646 50 0 JJAAMN Clc1cccc(N2CCN(CCNc3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)c1 ZINC000063494558 569615282 /nfs/dbraw/zinc/61/52/82/569615282.db2.gz IJTJIJOCPXPCOU-UHFFFAOYSA-N 0 1 484.007 4.832 50 0 JJAAMN COc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000064557810 569618281 /nfs/dbraw/zinc/61/82/81/569618281.db2.gz SUPBSFFMJGOXCI-OAQYLSRUSA-N 0 1 467.568 4.749 50 0 JJAAMN O=C([O-])c1cc(N2CC[NH+](Cc3ccccc3F)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000064589427 569620922 /nfs/dbraw/zinc/62/09/22/569620922.db2.gz GHFHFDQACGFASJ-UHFFFAOYSA-N 0 1 467.928 4.752 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035904 569652882 /nfs/dbraw/zinc/65/28/82/569652882.db2.gz NOLDWEQYGVYXFS-UHFFFAOYSA-N 0 1 493.054 4.846 50 0 JJAAMN CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)n2C)nc1C ZINC000065036525 569653416 /nfs/dbraw/zinc/65/34/16/569653416.db2.gz MKENZSAASYVODW-UHFFFAOYSA-N 0 1 481.043 4.702 50 0 JJAAMN Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737693 569654508 /nfs/dbraw/zinc/65/45/08/569654508.db2.gz SJFLVLWWUDBMBU-UHFFFAOYSA-N 0 1 453.539 4.767 50 0 JJAAMN CC(C)N1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)COc4ccccc4)cc32)CC1 ZINC000034790574 569660146 /nfs/dbraw/zinc/66/01/46/569660146.db2.gz PCZLUUNJYLTAPZ-UHFFFAOYSA-N 0 1 470.573 4.914 50 0 JJAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000034830531 569663995 /nfs/dbraw/zinc/66/39/95/569663995.db2.gz DKEHJRCHZHMYBD-SIBVEZHUSA-N 0 1 485.669 4.720 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)NC3CCCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831377 569664125 /nfs/dbraw/zinc/66/41/25/569664125.db2.gz BUTFVLYAGRNSFU-UHFFFAOYSA-N 0 1 498.691 4.962 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)Nc1cccc(F)c1 ZINC000034831361 569664173 /nfs/dbraw/zinc/66/41/73/569664173.db2.gz MTYRYXSKLKRBHR-UHFFFAOYSA-N 0 1 482.579 4.655 50 0 JJAAMN CCN1CCN(c2c(CN(C(=O)CCc3ccccc3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831235 569664196 /nfs/dbraw/zinc/66/41/96/569664196.db2.gz WRIYCCYRCJTGFE-UHFFFAOYSA-N 0 1 473.665 4.692 50 0 JJAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)CC(C)C ZINC000034835461 569665137 /nfs/dbraw/zinc/66/51/37/569665137.db2.gz FQNZPEHFELWVNQ-UHFFFAOYSA-N 0 1 471.665 4.889 50 0 JJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137474 569668380 /nfs/dbraw/zinc/66/83/80/569668380.db2.gz FZOMFCLVVWVKLT-UHFFFAOYSA-N 0 1 493.054 4.846 50 0 JJAAMN CCOC(=O)C1C(CSc2cc(Cl)ccc2Cl)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000066089496 569676884 /nfs/dbraw/zinc/67/68/84/569676884.db2.gz TVWLVXYPXUYKPD-LJQANCHMSA-N 0 1 467.374 4.965 50 0 JJAAMN CCc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372656 569683139 /nfs/dbraw/zinc/68/31/39/569683139.db2.gz WVWHNFSXBFFJEH-UHFFFAOYSA-N 0 1 452.599 4.773 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372711 569683348 /nfs/dbraw/zinc/68/33/48/569683348.db2.gz BQDFYYKMHLDREG-UHFFFAOYSA-N 0 1 462.953 4.613 50 0 JJAAMN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)OC(C(=O)c2cccs2)c2cccs2)C1 ZINC000069375469 569692796 /nfs/dbraw/zinc/69/27/96/569692796.db2.gz SUTSSHQGTQNDJR-KOSHJBKYSA-N 0 1 483.611 4.985 50 0 JJAAMN O=C(COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000069418399 569692987 /nfs/dbraw/zinc/69/29/87/569692987.db2.gz ODZSKJQMZFUAJQ-UHFFFAOYSA-N 0 1 451.331 4.812 50 0 JJAAMN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871435 569718705 /nfs/dbraw/zinc/71/87/05/569718705.db2.gz QSOSOQCWOHHERG-POCHDABASA-N 0 1 463.519 4.622 50 0 JJAAMN O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871430 569718769 /nfs/dbraw/zinc/71/87/69/569718769.db2.gz OLEFIVVIZBOOFM-ISKFKSNPSA-N 0 1 487.497 4.617 50 0 JJAAMN CCc1cc(N2CCN(CC)CC2)nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1 ZINC000095925528 569730218 /nfs/dbraw/zinc/73/02/18/569730218.db2.gz ORZRFZQWLAPMJN-UHFFFAOYSA-N 0 1 489.689 4.745 50 0 JJAAMN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096114295 569733546 /nfs/dbraw/zinc/73/35/46/569733546.db2.gz IEOGBPONBHGDBB-INIZCTEOSA-N 0 1 452.418 4.713 50 0 biogenic JJAAMN Nc1cc(N)nc(SCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)n1 ZINC000097663986 569745723 /nfs/dbraw/zinc/74/57/23/569745723.db2.gz ICQZVIZKOBZAHP-SRDUOIJHSA-N 0 1 470.602 4.556 50 0 JJAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000100142077 569753630 /nfs/dbraw/zinc/75/36/30/569753630.db2.gz HWDYDQTYTJZSIX-DEOSSOPVSA-N 0 1 493.529 4.745 50 0 JJAAMN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@@H](O)COCC(C)C)CC2)c1 ZINC000036340565 569764012 /nfs/dbraw/zinc/76/40/12/569764012.db2.gz LKZHZYWSHJWIJF-HHHXNRCGSA-N 0 1 488.676 4.507 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346647 569770415 /nfs/dbraw/zinc/77/04/15/569770415.db2.gz FCNXEOXGCVEIPT-JOCHJYFZSA-N 0 1 459.537 4.859 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000100887879 569774286 /nfs/dbraw/zinc/77/42/86/569774286.db2.gz WBODFGCOJUDTNL-VXNXHJTFSA-N 0 1 478.932 4.717 50 0 JJAAMN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c23)cc1 ZINC000100906170 569774931 /nfs/dbraw/zinc/77/49/31/569774931.db2.gz VZDNATKYVOFSSX-IRLDBZIGSA-N 0 1 466.324 4.785 50 0 JJAAMN CCc1cccc2s/c(=N/C(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n(C)c21 ZINC000100911691 569775387 /nfs/dbraw/zinc/77/53/87/569775387.db2.gz GGJXTCWSRZHDPE-OCOZRVBESA-N 0 1 465.600 4.653 50 0 JJAAMN COc1ccc(OC)c(CN2CCC(c3nc(C)ccc3C(=O)N3CCC(C)CC3)CC2)c1 ZINC000037554386 569794573 /nfs/dbraw/zinc/79/45/73/569794573.db2.gz JFTNCUABBTXBNJ-UHFFFAOYSA-N 0 1 451.611 4.659 50 0 JJAAMN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000037588156 569796871 /nfs/dbraw/zinc/79/68/71/569796871.db2.gz ILLMXQFZDXYASG-UHFFFAOYSA-N 0 1 485.005 4.929 50 0 JJAAMN CN(C)c1ccc([C@H]2CC(c3c(O)n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495231 569800416 /nfs/dbraw/zinc/80/04/16/569800416.db2.gz XNBOJZDULNYVBL-LJQANCHMSA-N 0 1 452.605 4.583 50 0 JJAAMN 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ZINC000002881261 554403123 /nfs/dbraw/zinc/40/31/23/554403123.db2.gz QIPDVOUXFKFRKU-UHFFFAOYSA-N 0 1 479.341 4.833 50 0 JJAAMN CCCN(CCC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000006296719 554528098 /nfs/dbraw/zinc/52/80/98/554528098.db2.gz MTAUPGHOEYKCFF-UHFFFAOYSA-N 0 1 483.634 4.739 50 0 JJAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000008845404 554742635 /nfs/dbraw/zinc/74/26/35/554742635.db2.gz WELFEMVSOYUACM-VWLOTQADSA-N 0 1 465.550 4.552 50 0 JJAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000008917757 554813304 /nfs/dbraw/zinc/81/33/04/554813304.db2.gz MIECVLQQHMNOOO-UUROJUAVSA-N 0 1 478.548 4.648 50 0 biogenic JJAAMN Cc1c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc(=O)c1CC(=O)NCCc1cnc[nH]1 ZINC000009059708 554878446 /nfs/dbraw/zinc/87/84/46/554878446.db2.gz ASQHOJOGOQJYAZ-UHFFFAOYSA-N 0 1 461.905 4.793 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009111280 554898562 /nfs/dbraw/zinc/89/85/62/554898562.db2.gz IANPEITYHOBCRU-PAHOUZJPSA-N 0 1 468.940 4.902 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168262 554952383 /nfs/dbraw/zinc/95/23/83/554952383.db2.gz NAOWOFSNMPMGPE-UHFFFAOYSA-N 0 1 460.596 4.520 50 0 JJAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172919 554954347 /nfs/dbraw/zinc/95/43/47/554954347.db2.gz DOIQDUCORKTPGY-UHFFFAOYSA-N 0 1 466.987 4.557 50 0 JJAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000009174396 554954933 /nfs/dbraw/zinc/95/49/33/554954933.db2.gz YNGGHNMCJYROAU-UHFFFAOYSA-N 0 1 474.623 4.856 50 0 JJAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(C(C)(C)C)cc2)N(CCCO)C3=O)cc1Cl ZINC000009243252 555018298 /nfs/dbraw/zinc/01/82/98/555018298.db2.gz AHTSQHDJVGKHLN-HSZRJFAPSA-N 0 1 453.970 4.969 50 0 JJAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(F)cc2)cc1OC ZINC000009293110 555068118 /nfs/dbraw/zinc/06/81/18/555068118.db2.gz PLSRBLSLKYSDBW-AREMUKBSSA-N 0 1 473.504 4.727 50 0 JJAAMN COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000009338384 555106627 /nfs/dbraw/zinc/10/66/27/555106627.db2.gz XEPYDFSRDDSJHD-UHFFFAOYSA-N 0 1 481.599 4.686 50 0 JJAAMN Nc1ccccc1C1=NC(=O)C(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S1 ZINC000009379487 555141657 /nfs/dbraw/zinc/14/16/57/555141657.db2.gz RUMZFXMKDSGYIQ-FQEVSTJZSA-N 0 1 463.946 4.571 50 0 JJAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009409023 555172584 /nfs/dbraw/zinc/17/25/84/555172584.db2.gz VDTKEDYXUYGQAL-AREMUKBSSA-N 0 1 455.514 4.553 50 0 JJAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009409147 555173098 /nfs/dbraw/zinc/17/30/98/555173098.db2.gz IGMJAGZUBYIFEL-AREMUKBSSA-N 0 1 455.514 4.587 50 0 JJAAMN Nn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000009453111 555224789 /nfs/dbraw/zinc/22/47/89/555224789.db2.gz RPTAIWBXGPMGEJ-UHFFFAOYSA-N 0 1 475.965 4.586 50 0 JJAAMN Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009467553 555244949 /nfs/dbraw/zinc/24/49/49/555244949.db2.gz BGNPLZHYBOXRMC-UHFFFAOYSA-N 0 1 471.387 4.903 50 0 JJAAMN O=c1c(Cl)c(NC[C@H](c2ccccc2)N2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000009471102 555254543 /nfs/dbraw/zinc/25/45/43/555254543.db2.gz VVUCCBINIWLZGW-GOSISDBHSA-N 0 1 463.891 4.549 50 0 JJAAMN COCCn1c(=O)c2c3c(sc2nc1SCc1nc2ccc(Cl)cc2[nH]1)CCCC3 ZINC000009492249 555271797 /nfs/dbraw/zinc/27/17/97/555271797.db2.gz HZCMRZJKSVPCDL-UHFFFAOYSA-N 0 1 461.012 4.805 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000009636215 555343734 /nfs/dbraw/zinc/34/37/34/555343734.db2.gz HRHXRYLAQGSTCJ-UHFFFAOYSA-N 0 1 454.592 4.503 50 0 JJAAMN Cc1sc2ncnc(SCC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2c1C ZINC000009666705 555379904 /nfs/dbraw/zinc/37/99/04/555379904.db2.gz OVAJNXQYQDLRCP-UHFFFAOYSA-N 0 1 461.056 4.834 50 0 JJAAMN CC1(C)CC(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC(C)(C)[NH2+]1 ZINC000009670140 555386319 /nfs/dbraw/zinc/38/63/19/555386319.db2.gz WMEPATITMXGFLR-UHFFFAOYSA-N 0 1 498.476 4.762 50 0 JJAAMN COc1cc(-c2nc(-c3ccccc3)c(SCC(=O)NC3CCCC3)[nH]2)cc(OC)c1OC ZINC000009674133 555398986 /nfs/dbraw/zinc/39/89/86/555398986.db2.gz LOBVLQWSQHPYQK-UHFFFAOYSA-N 0 1 467.591 4.920 50 0 JJAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)n2)cc1 ZINC000009798552 555515141 /nfs/dbraw/zinc/51/51/41/555515141.db2.gz OSHXQEYWRKGUGZ-UHFFFAOYSA-N 0 1 481.603 4.906 50 0 JJAAMN Clc1cccc(N2CCN(CCCNc3nc4ccccc4c4nc(-c5ccncc5)nn43)CC2)c1 ZINC000009831088 555532487 /nfs/dbraw/zinc/53/24/87/555532487.db2.gz DXRSRNVTJFPOFG-UHFFFAOYSA-N 0 1 499.022 4.617 50 0 JJAAMN COc1ccc(OC)c([C@@H]2C(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)=C(C)Nc3ncnn32)c1 ZINC000020134084 555658465 /nfs/dbraw/zinc/65/84/65/555658465.db2.gz QATYCXBNHBMYGZ-DYOKRDNJSA-N 0 1 454.571 4.588 50 0 JJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000014094511 555686740 /nfs/dbraw/zinc/68/67/40/555686740.db2.gz SRJFXOSQAZPGLA-HNNXBMFYSA-N 0 1 451.910 4.610 50 0 JJAAMN CCc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000020182329 555689592 /nfs/dbraw/zinc/68/95/92/555689592.db2.gz IUHOSCKMAYBLMI-FQEVSTJZSA-N 0 1 481.618 4.711 50 0 JJAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214700 555710675 /nfs/dbraw/zinc/71/06/75/555710675.db2.gz CHRLPANLJDNDDV-RUZDIDTESA-N 0 1 481.593 4.683 50 0 JJAAMN O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000020218798 555712720 /nfs/dbraw/zinc/71/27/20/555712720.db2.gz PCJGPMGDUSSPRY-XMMPIXPASA-N 0 1 451.408 4.890 50 0 JJAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)c(C)o2)cc1OC ZINC000020240684 555735800 /nfs/dbraw/zinc/73/58/00/555735800.db2.gz QAFWTMVPHMCDJW-UHFFFAOYSA-N 0 1 483.996 4.849 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000020329103 555775288 /nfs/dbraw/zinc/77/52/88/555775288.db2.gz SZIQXSMKCZKDDM-UHFFFAOYSA-N 0 1 456.612 4.948 50 0 JJAAMN COc1ccc(NC(=O)c2ccc(Cn3c(=O)c4[nH]c5ccc(OC)cc5c4[nH]c3=S)cc2)cc1 ZINC000020331200 555776288 /nfs/dbraw/zinc/77/62/88/555776288.db2.gz IJPHXQPADYKKID-UHFFFAOYSA-N 0 1 486.553 4.858 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000020331531 555776576 /nfs/dbraw/zinc/77/65/76/555776576.db2.gz NSAUOYYLSGBCAV-FQEVSTJZSA-N 0 1 476.602 4.913 50 0 JJAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020331407 555776591 /nfs/dbraw/zinc/77/65/91/555776591.db2.gz WGFWYHAUOMJDRE-UHFFFAOYSA-N 0 1 485.009 4.732 50 0 JJAAMN Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000011789357 555824162 /nfs/dbraw/zinc/82/41/62/555824162.db2.gz WFOSRSZQELUPKY-UHFFFAOYSA-N 0 1 479.540 4.946 50 0 JJAAMN O=C(c1ccc(Cl)cc1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 ZINC000011791117 555827545 /nfs/dbraw/zinc/82/75/45/555827545.db2.gz AQLNBVPYQIPCNH-UHFFFAOYSA-N 0 1 461.993 4.697 50 0 JJAAMN COc1cccc(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)c1OC ZINC000011841379 555833878 /nfs/dbraw/zinc/83/38/78/555833878.db2.gz VNUVPGZGJDXCQC-DEOSSOPVSA-N 0 1 462.634 4.934 50 0 JJAAMN Cc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Br)cc3)c2)c(C)c1 ZINC000021931737 555857590 /nfs/dbraw/zinc/85/75/90/555857590.db2.gz RKUWLALSMARWPV-UHFFFAOYSA-N 0 1 460.353 4.514 50 0 JJAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000011914967 555865843 /nfs/dbraw/zinc/86/58/43/555865843.db2.gz YTPNKZSTVPAHHQ-AREMUKBSSA-N 0 1 470.529 4.638 50 0 JJAAMN Cc1[nH]c(SCC(=O)Nc2nnc(SCc3ccccc3)s2)nc1Cc1ccc(O)cc1 ZINC000015086111 555875456 /nfs/dbraw/zinc/87/54/56/555875456.db2.gz JEDYJVAEQWSLSD-UHFFFAOYSA-N 0 1 483.644 4.889 50 0 JJAAMN CC(C)c1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccsc3)C4=O)CC2)cc1 ZINC000012154532 555927552 /nfs/dbraw/zinc/92/75/52/555927552.db2.gz YLSISGQTSFMCSK-UHFFFAOYSA-N 0 1 459.615 4.990 50 0 JJAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c1 ZINC000015727125 555966206 /nfs/dbraw/zinc/96/62/06/555966206.db2.gz ZBQFRPSKFKKQMA-UHFFFAOYSA-N 0 1 489.664 4.608 50 0 JJAAMN CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000022936222 555988538 /nfs/dbraw/zinc/98/85/38/555988538.db2.gz QNPNQFHWWAOAIP-UHFFFAOYSA-N 0 1 477.653 4.509 50 0 JJAAMN O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012537787 556010818 /nfs/dbraw/zinc/01/08/18/556010818.db2.gz ZDSCBOKOOZPOGC-RUZDIDTESA-N 0 1 470.535 4.995 50 0 JJAAMN COc1ccc(C(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1OC ZINC000015862021 556034435 /nfs/dbraw/zinc/03/44/35/556034435.db2.gz ICVADRJMMHXEGW-UHFFFAOYSA-N 0 1 497.598 4.983 50 0 JJAAMN COc1cccc(CC(=O)Nc2cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000015862026 556034530 /nfs/dbraw/zinc/03/45/30/556034530.db2.gz BKBFRIOXXLYGMG-UHFFFAOYSA-N 0 1 481.599 4.904 50 0 JJAAMN COc1ccccc1C(=O)Nc1cc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000015862043 556034746 /nfs/dbraw/zinc/03/47/46/556034746.db2.gz QFOBJPPZJMBZNH-UHFFFAOYSA-N 0 1 467.572 4.975 50 0 JJAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000023360369 556049006 /nfs/dbraw/zinc/04/90/06/556049006.db2.gz NQPPGZPCKVSMEB-UHFFFAOYSA-N 0 1 499.630 4.935 50 0 JJAAMN C[C@@H](c1cccs1)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 ZINC000023374600 556050204 /nfs/dbraw/zinc/05/02/04/556050204.db2.gz LQKHTNMLNAJDGU-FQEVSTJZSA-N 0 1 481.637 4.900 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1C ZINC000012564511 556060462 /nfs/dbraw/zinc/06/04/62/556060462.db2.gz YJQDOAZQFVFBDT-UHFFFAOYSA-N 0 1 454.592 4.503 50 0 JJAAMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012567196 556065924 /nfs/dbraw/zinc/06/59/24/556065924.db2.gz MGTVUTWDETZWQY-LSDHHAIUSA-N 0 1 455.908 4.873 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](Sc1n[nH]c(C)n1)c1ccccc1)C[C@@H](C)CC2 ZINC000012582450 556080076 /nfs/dbraw/zinc/08/00/76/556080076.db2.gz RSAUKHRIXDFNEN-DJJJIMSYSA-N 0 1 470.620 4.948 50 0 JJAAMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](Sc1nc(C)n[nH]1)c1ccccc1)C[C@@H](C)CC2 ZINC000012582450 556080077 /nfs/dbraw/zinc/08/00/77/556080077.db2.gz RSAUKHRIXDFNEN-DJJJIMSYSA-N 0 1 470.620 4.948 50 0 JJAAMN COc1cccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)N(C)C)c1 ZINC000012922748 556141628 /nfs/dbraw/zinc/14/16/28/556141628.db2.gz XRSGMRIRLBCAHT-SANMLTNESA-N 0 1 454.574 4.640 50 0 JJAAMN CCCn1c(CN[C@@H](Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024733915 556147363 /nfs/dbraw/zinc/14/73/63/556147363.db2.gz YJELPXSBJZEBQI-DEOSSOPVSA-N 0 1 476.646 4.770 50 0 JJAAMN COc1ccc([C@H](CNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)N2CCCCC2)cc1 ZINC000024966465 556165247 /nfs/dbraw/zinc/16/52/47/556165247.db2.gz DCPIKZOCFDPYIX-DEOSSOPVSA-N 0 1 491.661 4.589 50 0 JJAAMN COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000024968814 556165602 /nfs/dbraw/zinc/16/56/02/556165602.db2.gz XXNHGZDQFFCQSC-UHFFFAOYSA-N 0 1 458.555 4.790 50 0 JJAAMN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000016846274 556168189 /nfs/dbraw/zinc/16/81/89/556168189.db2.gz FLPAEUDFSCVEBH-OAHLLOKOSA-N 0 1 482.656 4.734 50 0 JJAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000025145793 556184443 /nfs/dbraw/zinc/18/44/43/556184443.db2.gz XUEDDZURSUECNS-AREMUKBSSA-N 0 1 482.565 4.883 50 0 JJAAMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012993054 556185133 /nfs/dbraw/zinc/18/51/33/556185133.db2.gz DWTDESRUKJMXCR-LJQANCHMSA-N 0 1 471.557 4.760 50 0 JJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000016995882 556198975 /nfs/dbraw/zinc/19/89/75/556198975.db2.gz MEMLXVXUIUMILA-KCWPFWIISA-N 0 1 486.959 4.701 50 0 JJAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000017010244 556199872 /nfs/dbraw/zinc/19/98/72/556199872.db2.gz RLLZBPRYFMDPGG-UHFFFAOYSA-N 0 1 456.589 4.767 50 0 JJAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000017015361 556204307 /nfs/dbraw/zinc/20/43/07/556204307.db2.gz TUSIZAYFGRZUIH-KCWPFWIISA-N 0 1 486.959 4.701 50 0 JJAAMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000017027275 556206863 /nfs/dbraw/zinc/20/68/63/556206863.db2.gz UPLNUUSZLKHJQR-UHFFFAOYSA-N 0 1 450.586 4.581 50 0 JJAAMN CCOc1ccc([C@H]2CC(=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2c2ccccc2)cc1 ZINC000017042693 556209126 /nfs/dbraw/zinc/20/91/26/556209126.db2.gz HZXYCVLOKQDWCS-QQYUXEJHSA-N 0 1 482.540 4.914 50 0 JJAAMN Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1C ZINC000017052766 556213664 /nfs/dbraw/zinc/21/36/64/556213664.db2.gz KUALLEHWCPGHBQ-UHFFFAOYSA-N 0 1 454.602 4.852 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000017271398 556249960 /nfs/dbraw/zinc/24/99/60/556249960.db2.gz HKXAEAUIKFIDDD-UHFFFAOYSA-N 0 1 492.022 4.742 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(CC)c3)[nH]c2=O)cc1 ZINC000017271432 556250273 /nfs/dbraw/zinc/25/02/73/556250273.db2.gz YPGOKYIOXSNQHK-UHFFFAOYSA-N 0 1 485.631 4.651 50 0 JJAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000018113695 556289228 /nfs/dbraw/zinc/28/92/28/556289228.db2.gz JIJMMVASESSFCN-VWLOTQADSA-N 0 1 490.947 4.902 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)c1 ZINC000018145891 556293971 /nfs/dbraw/zinc/29/39/71/556293971.db2.gz BLTQNZDLBFLECQ-VSKRKVRLSA-N 0 1 468.431 4.765 50 0 JJAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(C(C)(C)C)cc2)N(CCCN2CCOCC2)C3=O)c1 ZINC000027795500 556308159 /nfs/dbraw/zinc/30/81/59/556308159.db2.gz AECIWCDRHFGKNJ-HHHXNRCGSA-N 0 1 488.632 4.656 50 0 JJAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)(C)C)cc2)N(CCCN2CCOCC2)C3=O)c1 ZINC000027795497 556308166 /nfs/dbraw/zinc/30/81/66/556308166.db2.gz AECIWCDRHFGKNJ-MHZLTWQESA-N 0 1 488.632 4.656 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000028841804 556342509 /nfs/dbraw/zinc/34/25/09/556342509.db2.gz BSEIZCKMUDHPIP-UHFFFAOYSA-N 0 1 495.582 4.886 50 0 JJAAMN CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019798307 556375929 /nfs/dbraw/zinc/37/59/29/556375929.db2.gz MAIPPYUGJKSGIY-UHFFFAOYSA-N 0 1 469.585 4.831 50 0 JJAAMN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCC2)cc1 ZINC000032622683 556452415 /nfs/dbraw/zinc/45/24/15/556452415.db2.gz LYHMIPZCLIZABF-QHCPKHFHSA-N 0 1 475.589 4.977 50 0 JJAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c(cc(C)cc4C)[nH]3)ccc2OC)cc1 ZINC000032854911 556512197 /nfs/dbraw/zinc/51/21/97/556512197.db2.gz IDCOKYRGDNWJOA-UHFFFAOYSA-N 0 1 479.558 4.855 50 0 JJAAMN COC(=O)c1ccc(OC)c(CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 ZINC000032948405 556563667 /nfs/dbraw/zinc/56/36/67/556563667.db2.gz VLLPBBJRUKJLMM-UHFFFAOYSA-N 0 1 485.612 4.901 50 0 JJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1OCC ZINC000008606669 562946870 /nfs/dbraw/zinc/94/68/70/562946870.db2.gz IAECZOWZBBVLBW-AREMUKBSSA-N 0 1 479.577 4.942 50 0 JJAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1 ZINC000008685522 562952411 /nfs/dbraw/zinc/95/24/11/562952411.db2.gz KOPMQIAUVSHJAW-UHFFFAOYSA-N 0 1 471.604 4.800 50 0 JJAAMN COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000032969144 563109976 /nfs/dbraw/zinc/10/99/76/563109976.db2.gz NTFHALOPKOYXIS-JTSKRJEESA-N 0 1 461.400 4.568 50 0 JJAAMN O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000033023440 563110400 /nfs/dbraw/zinc/11/04/00/563110400.db2.gz QDEXQSCTPORRHN-UHFFFAOYSA-N 0 1 473.614 4.545 50 0 JJAAMN CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1nc(C(C)C)cs1)CC2 ZINC000055042655 569590449 /nfs/dbraw/zinc/59/04/49/569590449.db2.gz MWASKZPALOKNOD-RPWUZVMVSA-N 0 1 465.619 4.893 50 0 JJAAMN Cc1cccc(N2CCN(Cc3cccc(OCCCNC(=O)[C@H]4CCOC(C)(C)C4)c3)CC2)c1C ZINC000055042199 569590528 /nfs/dbraw/zinc/59/05/28/569590528.db2.gz FEXHSILWBMMGFT-SANMLTNESA-N 0 1 493.692 4.716 50 0 JJAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)N1CCCCCC1 ZINC000060274968 569608610 /nfs/dbraw/zinc/60/86/10/569608610.db2.gz FVOYNANOUMTVAY-UHFFFAOYSA-N 0 1 457.474 4.794 50 0 JJAAMN Cc1ccc(Cl)cc1N1CCN(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn32)CC1 ZINC000063494565 569615309 /nfs/dbraw/zinc/61/53/09/569615309.db2.gz CCGNXNJBWILOGE-UHFFFAOYSA-N 0 1 499.022 4.535 50 0 JJAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557794 569618268 /nfs/dbraw/zinc/61/82/68/569618268.db2.gz YKMYFRSQVUDBNL-NRFANRHFSA-N 0 1 453.491 4.556 50 0 JJAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557801 569618290 /nfs/dbraw/zinc/61/82/90/569618290.db2.gz IEUOWSAMAFPGHP-QFIPXVFZSA-N 0 1 467.518 4.864 50 0 JJAAMN Cc1ccc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000033026217 569620898 /nfs/dbraw/zinc/62/08/98/569620898.db2.gz AYBVWZYWZYLPJQ-UHFFFAOYSA-N 0 1 471.991 4.749 50 0 JJAAMN O=c1cc(CSc2ccccc2NS(=O)(=O)c2ccc(F)c(Cl)c2)nc2ccccn12 ZINC000033026350 569621063 /nfs/dbraw/zinc/62/10/63/569621063.db2.gz NGNRGPPOMMFVMD-UHFFFAOYSA-N 0 1 475.954 4.580 50 0 JJAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3C)[nH]c2=O)cc1 ZINC000064591973 569622056 /nfs/dbraw/zinc/62/20/56/569622056.db2.gz QOADRFGTTOZQKL-UHFFFAOYSA-N 0 1 485.631 4.705 50 0 JJAAMN O=C(Nc1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681918 569643435 /nfs/dbraw/zinc/64/34/35/569643435.db2.gz AVXWETCUUPHTJM-UHFFFAOYSA-N 0 1 456.924 4.978 50 0 JJAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(OC)c3OC)CC2)c1 ZINC000034683125 569644371 /nfs/dbraw/zinc/64/43/71/569644371.db2.gz LWMBALDLJHAJSB-UHFFFAOYSA-N 0 1 450.535 4.617 50 0 JJAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1 ZINC000065021115 569648409 /nfs/dbraw/zinc/64/84/09/569648409.db2.gz VPMUETDFVCMDNG-UHFFFAOYSA-N 0 1 460.596 4.565 50 0 JJAAMN Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737757 569654557 /nfs/dbraw/zinc/65/45/57/569654557.db2.gz MWFQXYHSKDWCBY-UHFFFAOYSA-N 0 1 471.529 4.906 50 0 JJAAMN O=C(Cc1ccc(Cl)cc1Cl)N1CCc2[nH]nc(C(=O)N[C@@H]3CCCc4ccccc43)c2C1 ZINC000034797178 569660986 /nfs/dbraw/zinc/66/09/86/569660986.db2.gz WNDLNADHUUUVTR-OAQYLSRUSA-N 0 1 483.399 4.651 50 0 JJAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)C3CCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831339 569664143 /nfs/dbraw/zinc/66/41/43/569664143.db2.gz XRDPUYJUQSIKHX-UHFFFAOYSA-N 0 1 469.649 4.637 50 0 JJAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)NC1CCCCC1 ZINC000034835797 569665114 /nfs/dbraw/zinc/66/51/14/569665114.db2.gz JCNTYUCJCRADRW-UHFFFAOYSA-N 0 1 484.664 4.716 50 0 JJAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000065115872 569666203 /nfs/dbraw/zinc/66/62/03/569666203.db2.gz XAENKZYFWAQTNV-UHFFFAOYSA-N 0 1 473.551 4.515 50 0 JJAAMN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000065116259 569666314 /nfs/dbraw/zinc/66/63/14/569666314.db2.gz QLBPUBQGYUCGMK-UHFFFAOYSA-N 0 1 493.969 4.642 50 0 JJAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000035372667 569683074 /nfs/dbraw/zinc/68/30/74/569683074.db2.gz AUGVJYXBCZSCJM-UHFFFAOYSA-N 0 1 464.635 4.814 50 0 JJAAMN CCc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(OC)cc2)cc1 ZINC000035372655 569683104 /nfs/dbraw/zinc/68/31/04/569683104.db2.gz PCDMASNVSIMEJZ-UHFFFAOYSA-N 0 1 464.635 4.643 50 0 JJAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(Cl)cc1)=N2 ZINC000035372744 569683231 /nfs/dbraw/zinc/68/32/31/569683231.db2.gz WQWRWTUJFNRQLZ-UHFFFAOYSA-N 0 1 462.953 4.613 50 0 JJAAMN CCOC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286888 569684015 /nfs/dbraw/zinc/68/40/15/569684015.db2.gz GNJYSDORRLVGPJ-VWLOTQADSA-N 0 1 479.646 4.534 50 0 JJAAMN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000068822448 569692404 /nfs/dbraw/zinc/69/24/04/569692404.db2.gz BUGQGGDFKUKTKY-UHFFFAOYSA-N 0 1 479.631 4.879 50 0 JJAAMN CC(=O)Nc1ccc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422765 569692819 /nfs/dbraw/zinc/69/28/19/569692819.db2.gz ZAYJZSZPCPUWPZ-RUZDIDTESA-N 0 1 463.965 4.908 50 0 JJAAMN Cc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)C2)c1 ZINC000035447467 569696159 /nfs/dbraw/zinc/69/61/59/569696159.db2.gz NYXMFYUREPWZLP-XMMPIXPASA-N 0 1 468.041 4.529 50 0 JJAAMN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc(Br)ccc2OC(F)F)n2ncnc2N1 ZINC000072333656 569703337 /nfs/dbraw/zinc/70/33/37/569703337.db2.gz MTUGLZORUCRUMW-QGZVFWFLSA-N 0 1 483.313 4.807 50 0 JJAAMN Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[nH]n(-c4ccccc4)c3=O)C2=O)c1 ZINC000035829465 569712867 /nfs/dbraw/zinc/71/28/67/569712867.db2.gz AQQPLSLQOMXDBE-UQQQWYQISA-N 0 1 464.525 4.570 50 0 JJAAMN Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4cccs4)[nH]n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000035829453 569712900 /nfs/dbraw/zinc/71/29/00/569712900.db2.gz QDYGWFNXUFHUKH-HAHDFKILSA-N 0 1 470.554 4.632 50 0 JJAAMN CN(C)c1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccs3)C2)cc1 ZINC000035835146 569713378 /nfs/dbraw/zinc/71/33/78/569713378.db2.gz IREOKSWECLDKLI-FQEVSTJZSA-N 0 1 455.530 4.928 50 0 JJAAMN CCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035836828 569713497 /nfs/dbraw/zinc/71/34/97/569713497.db2.gz IDMOAAMSOHQQCG-ODLFYWEKSA-N 0 1 457.317 4.540 50 0 JJAAMN O=C(COc1ccc(C2SCCCS2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000089787641 569719780 /nfs/dbraw/zinc/71/97/80/569719780.db2.gz OCNSQYHLIIWALV-UHFFFAOYSA-N 0 1 460.640 4.854 50 0 JJAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2nc3c(cccc3C(F)(F)F)s2)CC1 ZINC000090594438 569721119 /nfs/dbraw/zinc/72/11/19/569721119.db2.gz UJWKURMXCOKAJO-UHFFFAOYSA-N 0 1 463.510 4.729 50 0 JJAAMN CCCSc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 ZINC000096027644 569732072 /nfs/dbraw/zinc/73/20/72/569732072.db2.gz HCDLTERODTXVDE-UHFFFAOYSA-N 0 1 457.684 4.800 50 0 JJAAMN Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c43)c(=O)c2c1 ZINC000096114782 569733840 /nfs/dbraw/zinc/73/38/40/569733840.db2.gz NYMNAARJAWTVJU-INIZCTEOSA-N 0 1 482.444 4.727 50 0 biogenic JJAAMN CCN(CC)[C@H](CNC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccco1 ZINC000096134100 569736438 /nfs/dbraw/zinc/73/64/38/569736438.db2.gz IYLQZWBYKXAPLK-VZNHHXIYSA-N 0 1 467.566 4.685 50 0 JJAAMN CCOC(=O)c1c(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000096594157 569742366 /nfs/dbraw/zinc/74/23/66/569742366.db2.gz YTPHKAQFKSDWHJ-INIZCTEOSA-N 0 1 498.523 4.561 50 0 JJAAMN CCOC(=O)[C@](Nc1ccccc1Cl)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000097949688 569746896 /nfs/dbraw/zinc/74/68/96/569746896.db2.gz NIQAFNSCKJJPDN-YLJYHZDGSA-N 0 1 453.848 4.655 50 0 JJAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036301525 569759020 /nfs/dbraw/zinc/75/90/20/569759020.db2.gz LEFAVBKALKQFMP-JOCHJYFZSA-N 0 1 467.610 4.504 50 0 JJAAMN CCCCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313647 569760785 /nfs/dbraw/zinc/76/07/85/569760785.db2.gz XWXGVNSXGMQUJN-HSZRJFAPSA-N 0 1 467.610 4.505 50 0 JJAAMN CCCCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313946 569761623 /nfs/dbraw/zinc/76/16/23/569761623.db2.gz HWUHCAXEOGXAOP-QHCPKHFHSA-N 0 1 497.636 4.514 50 0 JJAAMN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316391 569762729 /nfs/dbraw/zinc/76/27/29/569762729.db2.gz QIDJOWXUZWYBFM-JOCHJYFZSA-N 0 1 467.610 4.843 50 0 JJAAMN Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000036340153 569763592 /nfs/dbraw/zinc/76/35/92/569763592.db2.gz GSHGTYFPTCOJEC-AREMUKBSSA-N 0 1 488.676 4.649 50 0 JJAAMN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@H](O)COC(C)(C)C)CC2)c1 ZINC000036340581 569763985 /nfs/dbraw/zinc/76/39/85/569763985.db2.gz RLOASCTWPFDHND-SANMLTNESA-N 0 1 488.676 4.649 50 0 JJAAMN Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341897 569764887 /nfs/dbraw/zinc/76/48/87/569764887.db2.gz ZPLDBRDQIVCXEL-HHHXNRCGSA-N 0 1 458.581 4.797 50 0 JJAAMN Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341896 569764913 /nfs/dbraw/zinc/76/49/13/569764913.db2.gz ZPLDBRDQIVCXEL-MHZLTWQESA-N 0 1 458.581 4.797 50 0 JJAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346592 569770098 /nfs/dbraw/zinc/77/00/98/569770098.db2.gz CIXCXNLBYMKIRG-NRFANRHFSA-N 0 1 459.537 4.859 50 0 JJAAMN CCCOc1ccc(N(C(=O)c2ccco2)[C@@H]2CC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 ZINC000101138289 569784267 /nfs/dbraw/zinc/78/42/67/569784267.db2.gz ZNQFHBJZJVSAPN-HSZRJFAPSA-N 0 1 476.529 4.836 50 0 JJAAMN CCCOc1ccc(N(C(=O)c2ccco2)C2CC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 ZINC000101138289 569784268 /nfs/dbraw/zinc/78/42/68/569784268.db2.gz ZNQFHBJZJVSAPN-HSZRJFAPSA-N 0 1 476.529 4.836 50 0 JJAAMN COc1ccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037572220 569795897 /nfs/dbraw/zinc/79/58/97/569795897.db2.gz XEAFRVMUZXARFJ-UHFFFAOYSA-N 0 1 450.604 4.864 50 0 JJAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=Nc2ccccc2S[C@H](c2cccc(O)c2)C1 ZINC000101494875 569800158 /nfs/dbraw/zinc/80/01/58/569800158.db2.gz ZKKMQUNYQZNBLP-NRFANRHFSA-N 0 1 491.956 4.948 50 0 JJAAMN CCc1cc([C@@H](c2ccc3c(c2)OCO3)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546555 569803176 /nfs/dbraw/zinc/80/31/76/569803176.db2.gz DJAWPJLXGJPUOQ-HSZRJFAPSA-N 0 1 467.591 4.611 50 0 JJAAMN COc1ccccc1-n1c(O)c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101766770 569804707 /nfs/dbraw/zinc/80/47/07/569804707.db2.gz TXDMKSOPZZFJGU-QFIPXVFZSA-N 0 1 489.528 4.737 50 0 JJAAMN Oc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000039354648 569809396 /nfs/dbraw/zinc/80/93/96/569809396.db2.gz UAGUHHRHJCDZRH-UHFFFAOYSA-N 0 1 458.537 4.789 50 0 JJAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102706554 569816506 /nfs/dbraw/zinc/81/65/06/569816506.db2.gz DTCMDRMUZCKVQO-YPAWHYETSA-N 0 1 479.330 4.509 50 0 JJAAMN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc54)[C@H]3C2=O)cc1 ZINC000102707651 569816792 /nfs/dbraw/zinc/81/67/92/569816792.db2.gz JUSZSBMTAKZIPZ-UODIDJSMSA-N 0 1 450.494 4.900 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102753726 569821045 /nfs/dbraw/zinc/82/10/45/569821045.db2.gz RMYQZKPQVRPYLQ-WXFUMESZSA-N 0 1 478.932 4.717 50 0 JJAAMN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000040157507 569821704 /nfs/dbraw/zinc/82/17/04/569821704.db2.gz ZQTLEMGWMLXHLU-UHFFFAOYSA-N 0 1 472.954 4.759 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984396 569848497 /nfs/dbraw/zinc/84/84/97/569848497.db2.gz PBUHDAYBEHVKPZ-VQTJNVASSA-N 0 1 451.394 4.775 50 0 JJAAMN C[C@H](NCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000049586936 569849076 /nfs/dbraw/zinc/84/90/76/569849076.db2.gz YMNBBAOXHVVUIE-MBBDBFLNSA-N 0 1 450.579 4.699 50 0 JJAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000105061813 569852716 /nfs/dbraw/zinc/85/27/16/569852716.db2.gz ODOBQRCAJJDHSK-NLFFAJNJSA-N 0 1 493.698 4.829 50 0 JJAAMN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000107374293 569856439 /nfs/dbraw/zinc/85/64/39/569856439.db2.gz JNOZEOYPSPQZGZ-AOYPEHQESA-N 0 1 479.546 4.885 50 0 JJAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000137589754 569865084 /nfs/dbraw/zinc/86/50/84/569865084.db2.gz VNERRIBWWMXGQO-BHDDXSALSA-N 0 1 497.320 4.648 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000137668794 569865211 /nfs/dbraw/zinc/86/52/11/569865211.db2.gz BVVWUAPNOGNLQI-YTFSRNRJSA-N 0 1 493.357 4.817 50 0 JJAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(F)c4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000143590748 569867628 /nfs/dbraw/zinc/86/76/28/569867628.db2.gz XGWGFGYXGUMXJS-YTFSRNRJSA-N 0 1 482.895 4.547 50 0 JJAAMN COc1cccc(CN(C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677427 569868642 /nfs/dbraw/zinc/86/86/42/569868642.db2.gz SJVYFFQUYBHHCH-AHWVRZQESA-N 0 1 464.993 4.947 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679112 569869533 /nfs/dbraw/zinc/86/95/33/569869533.db2.gz FCLDFVNKIDREPH-VWNXMTODSA-N 0 1 454.954 4.506 50 0 JJAAMN O[C@@H](COCc1ccco1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169679381 569869785 /nfs/dbraw/zinc/86/97/85/569869785.db2.gz AGJKXWSYWWOTJH-VWNXMTODSA-N 0 1 454.954 4.506 50 0 JJAAMN O=C(C1[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=O)N[C@@]1(O)c1ccccc1)C(F)(F)F ZINC000226537969 570038024 /nfs/dbraw/zinc/03/80/24/570038024.db2.gz GRNURWLLVAXAIO-WAOWUJCRSA-N 0 1 464.827 4.547 50 0 JJAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Br)cc4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000239287497 570050176 /nfs/dbraw/zinc/05/01/76/570050176.db2.gz CWWKVNPKUFVXGT-BDTNDASRSA-N 0 1 479.330 4.509 50 0 JJAAMN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245280754 570061873 /nfs/dbraw/zinc/06/18/73/570061873.db2.gz RSYVSFBVHDATSC-UKILVPOCSA-N 0 1 479.621 4.646 50 0 JJAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245309773 570063022 /nfs/dbraw/zinc/06/30/22/570063022.db2.gz GFCNEFJUJNWCDF-GSTLAZBSSA-N 0 1 466.512 4.696 50 0 JJAAMN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)cc1 ZINC000247910039 570070984 /nfs/dbraw/zinc/07/09/84/570070984.db2.gz UEJPOJZNVUVWIU-XMMPIXPASA-N 0 1 498.627 4.630 50 0 JJAAMN CC(C)N(C)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988977 570072311 /nfs/dbraw/zinc/07/23/11/570072311.db2.gz LBMJPPGWFMQJEY-GOSISDBHSA-N 0 1 469.427 4.867 50 0 JJAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000248005901 570072750 /nfs/dbraw/zinc/07/27/50/570072750.db2.gz PREUNHUAUXTNGI-OAQYLSRUSA-N 0 1 480.056 4.831 50 0 JJAAMN CC(C)NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248021654 570072900 /nfs/dbraw/zinc/07/29/00/570072900.db2.gz UVVKZMNHQMKEHV-KRWDZBQOSA-N 0 1 455.400 4.525 50 0 JJAAMN COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4C)C3)nc3ccccc32)cc1 ZINC000248164907 570075869 /nfs/dbraw/zinc/07/58/69/570075869.db2.gz QVWKGHSTVLEHJZ-VWLOTQADSA-N 0 1 482.628 4.930 50 0 JJAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCc4ccccc4C)C3)nc3ccccc32)cc1 ZINC000248164907 570075870 /nfs/dbraw/zinc/07/58/70/570075870.db2.gz QVWKGHSTVLEHJZ-VWLOTQADSA-N 0 1 482.628 4.930 50 0 JJAAMN CC(C)n1c(CN2CCC[C@@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000248176150 570076005 /nfs/dbraw/zinc/07/60/05/570076005.db2.gz VUAYVEVMUUQTEZ-LJQANCHMSA-N 0 1 469.427 4.908 50 0 JJAAMN CCCCNC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248251121 570076856 /nfs/dbraw/zinc/07/68/56/570076856.db2.gz SJFBFNNICFFPRO-SFHVURJKSA-N 0 1 469.427 4.916 50 0 JJAAMN CCn1c(CN2CCC[C@@H](C(=O)N3CCN(c4ccc(C(C)C)cc4)CC3)C2)nc2ccccc21 ZINC000252079272 570079806 /nfs/dbraw/zinc/07/98/06/570079806.db2.gz FCRDFLOWIKUWIM-XMMPIXPASA-N 0 1 473.665 4.740 50 0 JJAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1O ZINC000253414615 570098466 /nfs/dbraw/zinc/09/84/66/570098466.db2.gz XZEXDJKODCJEDI-OAHLLOKOSA-N 0 1 464.857 4.974 50 0 JJAAMN COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2CCC(=O)[O-])CC1 ZINC000299797212 570177306 /nfs/dbraw/zinc/17/73/06/570177306.db2.gz QLQRTVKTZKXVMB-RRPNLBNLSA-N 0 1 487.644 4.726 50 0 JJAAMN