smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000002761532 817399552 /nfs/dbraw/zinc/39/95/52/817399552.db2.gz YZXDFHAKSYILIR-UHFFFAOYSA-N 0 1 389.908 4.311 50 0 GIAAMN O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(Cc1ccc(F)cc1)CC2 ZINC000004301585 817518404 /nfs/dbraw/zinc/51/84/04/817518404.db2.gz NHBIUSXQFCMSRS-OIBXWCBGSA-N 0 1 383.463 4.423 50 0 GIAAMN O=C([N-]C(=O)c1ccc(Cl)cc1Cl)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005132708 817553398 /nfs/dbraw/zinc/55/33/98/817553398.db2.gz RQIOUBLQEXCNDT-MLGOLLRUSA-N 0 1 385.291 4.124 50 0 GIAAMN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)c1 ZINC000057413235 823292715 /nfs/dbraw/zinc/29/27/15/823292715.db2.gz CBBIMGCIBSDACK-UHFFFAOYSA-N 0 1 380.879 4.001 50 0 GIAAMN CCOc1cc2c(cc1CN[C@H](C)c1ccc(-n3ccnc3)cc1)O[C@@H](C)C2 ZINC000007984347 817975728 /nfs/dbraw/zinc/97/57/28/817975728.db2.gz ITQOEDQDJZSWPF-DLBZAZTESA-N 0 1 377.488 4.445 50 0 GIAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc2c(c1)OCCCO2 ZINC000008012616 817982740 /nfs/dbraw/zinc/98/27/40/817982740.db2.gz DHSCJZYBALASON-UHFFFAOYSA-N 0 1 389.864 4.108 50 0 GIAAMN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000008156744 818008604 /nfs/dbraw/zinc/00/86/04/818008604.db2.gz HLASIRSZLZBNGM-QFIPXVFZSA-N 0 1 391.515 4.331 50 0 GIAAMN O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CCN(Cc1ccoc1)CC2 ZINC000011787907 818120466 /nfs/dbraw/zinc/12/04/66/818120466.db2.gz CXAYUOJLCLVIJL-SFHVURJKSA-N 0 1 392.421 4.217 50 0 GIAAMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc2ccccc2c1 ZINC000013109756 818203055 /nfs/dbraw/zinc/20/30/55/818203055.db2.gz BGOUJACGWBNQQD-JTHBVZDNSA-N 0 1 392.524 4.145 50 0 GIAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCC2)cc1 ZINC000017911666 818532857 /nfs/dbraw/zinc/53/28/57/818532857.db2.gz FFEPXNGDHQCIAW-HXUWFJFHSA-N 0 1 396.462 4.456 50 0 GIAAMN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCc2ccccc2C1 ZINC000019793726 818605348 /nfs/dbraw/zinc/60/53/48/818605348.db2.gz XFVMFHZRNDWCKB-UHFFFAOYSA-N 0 1 383.289 4.157 50 0 GIAAMN Cc1ccc([C@@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440675 818621157 /nfs/dbraw/zinc/62/11/57/818621157.db2.gz BBUXSGAOMXEODN-FTJBHMTQSA-N 0 1 387.523 4.347 50 0 GIAAMN CC(C)(C)c1ccc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020501905 818623712 /nfs/dbraw/zinc/62/37/12/818623712.db2.gz IZWSNIMRVXFNND-UHFFFAOYSA-N 0 1 390.527 4.408 50 0 GIAAMN CCc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000020532758 818624690 /nfs/dbraw/zinc/62/46/90/818624690.db2.gz NLHODRGFUYGZGJ-UHFFFAOYSA-N 0 1 395.484 4.006 50 0 GIAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000020580629 818626682 /nfs/dbraw/zinc/62/66/82/818626682.db2.gz ARZHEKNSTNDXJX-UHFFFAOYSA-N 0 1 386.473 4.466 50 0 GIAAMN CCC[C@@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020756605 818630442 /nfs/dbraw/zinc/63/04/42/818630442.db2.gz QLTPDCKWJYRDBA-DNQXCXABSA-N 0 1 383.532 4.189 50 0 GIAAMN C[C@@H](c1ccccn1)N(C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000023429253 818939749 /nfs/dbraw/zinc/93/97/49/818939749.db2.gz JNNTYILSLMFTMS-KRWDZBQOSA-N 0 1 388.515 4.294 50 0 GIAAMN CC(C)n1ncc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cnc21 ZINC000032098020 820897520 /nfs/dbraw/zinc/89/75/20/820897520.db2.gz FIOLKZXDINDDCE-UHFFFAOYSA-N 0 1 385.276 4.120 50 0 GIAAMN Cc1cccc(-c2ncc(CN[C@@H]3CCCc4c3cnn4-c3ccccn3)cn2)c1 ZINC000055284295 822949278 /nfs/dbraw/zinc/94/92/78/822949278.db2.gz JIZGXPKQCXMKLA-OAQYLSRUSA-N 0 1 396.498 4.200 50 0 GIAAMN CCN(C[C@H]1CCN(Cc2nc3ccc(OC)cc3s2)C1)CC(F)(F)F ZINC000187116673 823013066 /nfs/dbraw/zinc/01/30/66/823013066.db2.gz PVEOBKNZEYFCJN-CYBMUJFWSA-N 0 1 387.471 4.011 50 0 GIAAMN Cc1cnc(C2CC2)n1[C@@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000575548660 823976556 /nfs/dbraw/zinc/97/65/56/823976556.db2.gz HZJSWZDHHXAFGB-LJQANCHMSA-N 0 1 376.504 4.347 50 0 GIAAMN Cc1ccccc1S(=O)(=O)Nc1cc(Br)cc2cccnc21 ZINC000001022407 203874488 /nfs/dbraw/zinc/87/44/88/203874488.db2.gz WPFAWVJUTCPNSL-UHFFFAOYSA-N 0 1 377.263 4.107 50 0 GIAAMN CSCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000004309835 204038432 /nfs/dbraw/zinc/03/84/32/204038432.db2.gz UONCAFQPHGDKGF-IBGZPJMESA-N 0 1 398.484 4.013 50 0 GIAAMN CC1=NC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C1C(=O)OCc1ccccc1 ZINC000004269767 204036282 /nfs/dbraw/zinc/03/62/82/204036282.db2.gz CRJLZKUONIFOEQ-KRWDZBQOSA-N 0 1 390.361 4.077 50 0 GIAAMN COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(Cl)cc1 ZINC000004679089 204063131 /nfs/dbraw/zinc/06/31/31/204063131.db2.gz FNDQOZPFCXWUDB-UHFFFAOYSA-N 0 1 385.851 4.191 50 0 GIAAMN C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000005017621 204102972 /nfs/dbraw/zinc/10/29/72/204102972.db2.gz BRWFATZHPYGPEO-WDEREUQCSA-N 0 1 376.482 4.030 50 0 GIAAMN C[C@H](NC(=O)c1ccc2[nH]c(O)c(-c3ccccc3)c(=O)c2c1)c1ccccc1 ZINC000005800244 204151616 /nfs/dbraw/zinc/15/16/16/204151616.db2.gz MGMVWNWFAMSZSI-HNNXBMFYSA-N 0 1 384.435 4.392 50 0 GIAAMN C[C@H](NC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1)c1ccccc1 ZINC000005800244 204151621 /nfs/dbraw/zinc/15/16/21/204151621.db2.gz MGMVWNWFAMSZSI-HNNXBMFYSA-N 0 1 384.435 4.392 50 0 GIAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(C)c2C)n1 ZINC000006060452 204163347 /nfs/dbraw/zinc/16/33/47/204163347.db2.gz IAHNVAAQDWGKMR-UHFFFAOYSA-N 0 1 390.896 4.064 50 0 GIAAMN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)C[C@@H]2C)c1 ZINC000006876709 204218705 /nfs/dbraw/zinc/21/87/05/204218705.db2.gz LIKCITRRYMORSR-IBGZPJMESA-N 0 1 388.515 4.353 50 0 GIAAMN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)C[C@H]2C)c1 ZINC000006876710 204218825 /nfs/dbraw/zinc/21/88/25/204218825.db2.gz LIKCITRRYMORSR-LJQANCHMSA-N 0 1 388.515 4.353 50 0 GIAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000006464189 204180059 /nfs/dbraw/zinc/18/00/59/204180059.db2.gz DWCHJLILRUPPAC-UHFFFAOYSA-N 0 1 392.843 4.004 50 0 GIAAMN CC[C@H](Sc1nc(CCSC)c(C)[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000006606069 204186983 /nfs/dbraw/zinc/18/69/83/204186983.db2.gz MECYCYSITZJIPL-ZDUSSCGKSA-N 0 1 384.958 4.181 50 0 GIAAMN COCCCNC(=O)CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000006729224 204195441 /nfs/dbraw/zinc/19/54/41/204195441.db2.gz XELPSCNBYUWFAO-UHFFFAOYSA-N 0 1 399.491 4.128 50 0 GIAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OCC)c1 ZINC000006752953 204200805 /nfs/dbraw/zinc/20/08/05/204200805.db2.gz HYDOSRQTYVGELA-NRFANRHFSA-N 0 1 377.444 4.136 50 0 GIAAMN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000006887677 204220494 /nfs/dbraw/zinc/22/04/94/204220494.db2.gz OBVIVRONSRBFPZ-UHFFFAOYSA-N 0 1 386.473 4.330 50 0 GIAAMN CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000006997378 204228573 /nfs/dbraw/zinc/22/85/73/204228573.db2.gz CZZYIAPGJUVGOL-QFIPXVFZSA-N 0 1 382.504 4.051 50 0 GIAAMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1Cl ZINC000007052164 204231551 /nfs/dbraw/zinc/23/15/51/204231551.db2.gz GHUMGFNHTBRBQT-UHFFFAOYSA-N 0 1 388.272 4.182 50 0 GIAAMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000007718598 204247739 /nfs/dbraw/zinc/24/77/39/204247739.db2.gz AMDHCKRBASEHCI-IBGZPJMESA-N 0 1 395.455 4.161 50 0 GIAAMN CS(=O)(=O)Nc1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000007777141 204249558 /nfs/dbraw/zinc/24/95/58/204249558.db2.gz BXRADBUYKPYHIS-UHFFFAOYSA-N 0 1 387.511 4.458 50 0 GIAAMN Cc1ccccc1N1C(=O)NC(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000008995742 204297334 /nfs/dbraw/zinc/29/73/34/204297334.db2.gz MCESTUVAFVJMEG-DEOSSOPVSA-N 0 1 399.450 4.250 50 0 GIAAMN COc1ccc2cc([C@H](C)C(=O)NC[C@H](c3ccco3)N3CCCC3)ccc2c1 ZINC000008346288 204273437 /nfs/dbraw/zinc/27/34/37/204273437.db2.gz FOQIAOHOCZGUOO-HTAPYJJXSA-N 0 1 392.499 4.498 50 0 GIAAMN CC(C)N(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccccc1 ZINC000010930581 204340041 /nfs/dbraw/zinc/34/00/41/204340041.db2.gz TVGBLVNXVWMODY-UHFFFAOYSA-N 0 1 393.531 4.208 50 0 GIAAMN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]2)cc1 ZINC000009117202 204299517 /nfs/dbraw/zinc/29/95/17/204299517.db2.gz JDBASRHYYLBTHK-UHFFFAOYSA-N 0 1 394.906 4.255 50 0 GIAAMN Nn1c(SCc2cccc3ccccc32)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009110691 204299529 /nfs/dbraw/zinc/29/95/29/204299529.db2.gz ARIOPBQMEQDDFJ-UHFFFAOYSA-N 0 1 398.495 4.495 50 0 GIAAMN CC(=O)N(c1nc(CSc2nc(C3CC3)n[nH]2)cs1)c1ccccc1F ZINC000011473694 204346922 /nfs/dbraw/zinc/34/69/22/204346922.db2.gz GCAFVGYFERUHRI-UHFFFAOYSA-N 0 1 389.481 4.255 50 0 GIAAMN CC(=O)N(c1nc(CSc2n[nH]c(C3CC3)n2)cs1)c1ccccc1F ZINC000011473694 204346924 /nfs/dbraw/zinc/34/69/24/204346924.db2.gz GCAFVGYFERUHRI-UHFFFAOYSA-N 0 1 389.481 4.255 50 0 GIAAMN CCCc1nc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC000011466061 204347141 /nfs/dbraw/zinc/34/71/41/204347141.db2.gz HGZDZUVHNAMSGV-OAHLLOKOSA-N 0 1 396.516 4.456 50 0 GIAAMN CCCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000011466061 204347146 /nfs/dbraw/zinc/34/71/46/204347146.db2.gz HGZDZUVHNAMSGV-OAHLLOKOSA-N 0 1 396.516 4.456 50 0 GIAAMN Fc1ccc2nc([C@@H]3CCCN3Cc3nc(COc4ccccc4)no3)[nH]c2c1 ZINC000011663468 204350090 /nfs/dbraw/zinc/35/00/90/204350090.db2.gz STXCLCJUYMLXQI-SFHVURJKSA-N 0 1 393.422 4.001 50 0 GIAAMN COc1cc(Cl)c(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OC ZINC000011759368 204353300 /nfs/dbraw/zinc/35/33/00/204353300.db2.gz HKARJZCBZDESBG-JOCHJYFZSA-N 0 1 389.923 4.174 50 0 GIAAMN CCCn1ncc(CN2CCC(CCc3ccccc3)(C(=O)OCC)CC2)c1C ZINC000011933478 204362960 /nfs/dbraw/zinc/36/29/60/204362960.db2.gz ORBKQZLXZWLGPO-UHFFFAOYSA-N 0 1 397.563 4.380 50 0 GIAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)c(C)c3)oc2C)C1 ZINC000011949782 204363839 /nfs/dbraw/zinc/36/38/39/204363839.db2.gz HPVLPUMCTCNBNH-IBGZPJMESA-N 0 1 399.535 4.047 50 0 GIAAMN Cc1ncc(CN2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)s1 ZINC000011957046 204364261 /nfs/dbraw/zinc/36/42/61/204364261.db2.gz ZPZFJMTUNHZWEK-QGZVFWFLSA-N 0 1 379.529 4.247 50 0 GIAAMN CN(Cc1n[nH]c2c1CCCCC2)c1nncc(-c2cccc3ccccc32)n1 ZINC000012317293 204395159 /nfs/dbraw/zinc/39/51/59/204395159.db2.gz CFPZBSPSLMBTIF-UHFFFAOYSA-N 0 1 384.487 4.320 50 0 GIAAMN CCCCc1nc2cc(C(=O)NCCc3nc4cccc(C)c4[nH]3)ccc2o1 ZINC000012317525 204395897 /nfs/dbraw/zinc/39/58/97/204395897.db2.gz JMRNUDHWCSEEJQ-UHFFFAOYSA-N 0 1 376.460 4.328 50 0 GIAAMN COc1ccc(CN(Cc2ccccc2F)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036095347 205005042 /nfs/dbraw/zinc/00/50/42/205005042.db2.gz KOGAMEKGHPGXQG-QFIPXVFZSA-N 0 1 379.475 4.440 50 0 GIAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103507 205006618 /nfs/dbraw/zinc/00/66/18/205006618.db2.gz VQSPZTBPJMCFLC-OAQYLSRUSA-N 0 1 385.504 4.467 50 0 GIAAMN COc1ccc(OC[C@H](O)CN(CCC(C)C)Cc2ccc(F)cc2F)cc1 ZINC000036099805 205006707 /nfs/dbraw/zinc/00/67/07/205006707.db2.gz OAKYPLKPHGNKCL-LJQANCHMSA-N 0 1 393.474 4.261 50 0 GIAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC000036345205 205011931 /nfs/dbraw/zinc/01/19/31/205011931.db2.gz UVXWOSXTBTUCIV-QFIPXVFZSA-N 0 1 379.479 4.235 50 0 GIAAMN Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2cnc(N(C)C)s2)cc1C ZINC000039500539 205042697 /nfs/dbraw/zinc/04/26/97/205042697.db2.gz YNQPWBUKAGWZKW-LJQANCHMSA-N 0 1 381.549 4.179 50 0 GIAAMN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000040082861 205049446 /nfs/dbraw/zinc/04/94/46/205049446.db2.gz DRNCXDKSOYPQJT-UHFFFAOYSA-N 0 1 394.862 4.218 50 0 GIAAMN Cc1ccc(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000040095389 205051399 /nfs/dbraw/zinc/05/13/99/205051399.db2.gz XKIQETHUEHXEKG-OALUTQOASA-N 0 1 381.520 4.234 50 0 GIAAMN CN(C)[C@@H](CNC(=O)c1ccc(COc2ccccc2F)o1)c1ccsc1 ZINC000047086940 205108282 /nfs/dbraw/zinc/10/82/82/205108282.db2.gz KCXUMADIBIAGDN-KRWDZBQOSA-N 0 1 388.464 4.092 50 0 GIAAMN Cc1ccc(CCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000048285916 205116313 /nfs/dbraw/zinc/11/63/13/205116313.db2.gz SYFHTILYAOVNRQ-OYRHEFFESA-N 0 1 394.559 4.243 50 0 GIAAMN CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 ZINC000046017596 205102200 /nfs/dbraw/zinc/10/22/00/205102200.db2.gz IEZMOGUJZLBXBH-UHFFFAOYSA-N 0 1 382.894 4.098 50 0 GIAAMN CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCCC2 ZINC000054214381 205140369 /nfs/dbraw/zinc/14/03/69/205140369.db2.gz VENTXROOLBSRPW-AWEZNQCLSA-N 0 1 386.517 4.093 50 0 GIAAMN CCn1nc(C)c(CN[C@H](C)c2cnc(N(C)C3CCCCC3)nc2C)c1C ZINC000055182455 205143611 /nfs/dbraw/zinc/14/36/11/205143611.db2.gz XAOIFSIZTPDYTK-OAHLLOKOSA-N 0 1 384.572 4.238 50 0 GIAAMN Fc1ccc(N[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1F ZINC000055183009 205144393 /nfs/dbraw/zinc/14/43/93/205144393.db2.gz CBVAAAFWOWRKCG-HNNXBMFYSA-N 0 1 378.492 4.098 50 0 GIAAMN CC(C)c1ccccc1NC(=O)CCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000055369222 205146767 /nfs/dbraw/zinc/14/67/67/205146767.db2.gz FFKVHKAVOZCGLB-UHFFFAOYSA-N 0 1 384.524 4.208 50 0 GIAAMN Cc1cc(C)c(NC(=O)CNCc2cc(Cl)c3c(c2)OCCCO3)c(C)c1 ZINC000057281230 205155192 /nfs/dbraw/zinc/15/51/92/205155192.db2.gz OXWVWAWXZZBHEJ-UHFFFAOYSA-N 0 1 388.895 4.155 50 0 GIAAMN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1 ZINC000051315603 205131286 /nfs/dbraw/zinc/13/12/86/205131286.db2.gz AVNQNECBPPHTRX-UHFFFAOYSA-N 0 1 381.432 4.135 50 0 GIAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)[nH]n2)cc1 ZINC000051315470 205131409 /nfs/dbraw/zinc/13/14/09/205131409.db2.gz QYGLYQJEIGGTCU-UHFFFAOYSA-N 0 1 386.249 4.490 50 0 GIAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)[nH]n2)cc1 ZINC000051315471 205132381 /nfs/dbraw/zinc/13/23/81/205132381.db2.gz ICSIKHWGSYBICA-UHFFFAOYSA-N 0 1 386.249 4.490 50 0 GIAAMN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3ccc4nonc4c3)C2)c1 ZINC000059955614 205180173 /nfs/dbraw/zinc/18/01/73/205180173.db2.gz LWCABGZAOJAOMK-SFHVURJKSA-N 0 1 379.460 4.105 50 0 GIAAMN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000064979407 205205048 /nfs/dbraw/zinc/20/50/48/205205048.db2.gz RQJZMWZSEVABNI-UHFFFAOYSA-N 0 1 378.837 4.113 50 0 GIAAMN CCCn1nccc1-c1csc(S(=O)(=O)Nc2cc(F)ccc2F)c1 ZINC000065112543 205210307 /nfs/dbraw/zinc/21/03/07/205210307.db2.gz SKDGHMUWPNDOAW-UHFFFAOYSA-N 0 1 383.445 4.101 50 0 GIAAMN 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Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1C ZINC000027581513 570436454 /nfs/dbraw/zinc/43/64/54/570436454.db2.gz CGSSWEIJGMHRPU-HXUWFJFHSA-N 0 1 386.923 4.289 50 0 GIAAMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc2ccccc2c1 ZINC000006509714 570461985 /nfs/dbraw/zinc/46/19/85/570461985.db2.gz BGOUJACGWBNQQD-GGAORHGYSA-N 0 1 392.524 4.145 50 0 GIAAMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4cc(F)c(F)cc4F)C3)[nH]c2c1 ZINC000136724219 570478133 /nfs/dbraw/zinc/47/81/33/570478133.db2.gz YTSLCXVVUMHGRM-ZDUSSCGKSA-N 0 1 387.405 4.237 50 0 GIAAMN CCn1cc(C(=O)c2ccccc2O)cc1-c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000006590676 570488383 /nfs/dbraw/zinc/48/83/83/570488383.db2.gz WOACAWTWLLUHBE-UHFFFAOYSA-N 0 1 393.830 4.002 50 0 GIAAMN CCc1nc2sc([C@H](c3cccc(F)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690108 570494723 /nfs/dbraw/zinc/49/47/23/570494723.db2.gz ICAMTYSXWVYUSH-AHIWAGSCSA-N 0 1 388.512 4.265 50 0 GIAAMN CCc1nc2sc([C@H](c3ccccc3F)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690105 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COc1ccccc1C(=O)N(CCN(C)C)c1nc2c(cccc2Cl)s1 ZINC000004359325 570701706 /nfs/dbraw/zinc/70/17/06/570701706.db2.gz VGTVLXFAUQVHFI-UHFFFAOYSA-N 0 1 389.908 4.167 50 0 GIAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cc(F)ccc3F)oc2C)C1 ZINC000012709932 570701970 /nfs/dbraw/zinc/70/19/70/570701970.db2.gz KGPJWTCKJWWUNS-HNNXBMFYSA-N 0 1 391.462 4.009 50 0 GIAAMN O=C(CNCc1ccc(-n2cnc3ccccc32)cc1)Nc1ccc(F)c(F)c1 ZINC000058161176 570712863 /nfs/dbraw/zinc/71/28/63/570712863.db2.gz MIWHRQSXWCVEQU-UHFFFAOYSA-N 0 1 392.409 4.032 50 0 GIAAMN Fc1ccc(OCc2noc(CN3CCC[C@@H]3CCc3ccccc3)n2)cc1 ZINC000058277679 570724158 /nfs/dbraw/zinc/72/41/58/570724158.db2.gz HVYZZCYLVZREDZ-LJQANCHMSA-N 0 1 381.451 4.385 50 0 GIAAMN COc1ccc(NS(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1Cl ZINC000065242283 570748176 /nfs/dbraw/zinc/74/81/76/570748176.db2.gz ZURJEYTYSGNCJZ-UHFFFAOYSA-N 0 1 393.896 4.155 50 0 GIAAMN CCOc1c(Br)cc(CN[C@H]2CCOc3ccccc32)cc1OC ZINC000025357066 570748660 /nfs/dbraw/zinc/74/86/60/570748660.db2.gz 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XQSTTWWNEXNLJY-UHFFFAOYSA-N 0 1 389.477 4.487 50 0 GIAAMN COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)cc1 ZINC000036102522 570539426 /nfs/dbraw/zinc/53/94/26/570539426.db2.gz KJFIXVHMSWSRQV-JOCHJYFZSA-N 0 1 395.474 4.276 50 0 GIAAMN Cc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511222 570554130 /nfs/dbraw/zinc/55/41/30/570554130.db2.gz PFRNYTSCACLBBY-MRXNPFEDSA-N 0 1 387.281 4.473 50 0 GIAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000064837345 570560247 /nfs/dbraw/zinc/56/02/47/570560247.db2.gz NQNGYMVSXVDTOL-UHFFFAOYSA-N 0 1 392.864 4.421 50 0 GIAAMN CCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OC)cc1 ZINC000006753250 570572382 /nfs/dbraw/zinc/57/23/82/570572382.db2.gz BDRDBBTXWSCTOX-NRFANRHFSA-N 0 1 377.444 4.055 50 0 GIAAMN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000225460963 570576709 /nfs/dbraw/zinc/57/67/09/570576709.db2.gz IEXRPHYCHIFZLJ-UHFFFAOYSA-N 0 1 381.411 4.148 50 0 GIAAMN COc1ccc(/C=C/CN2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000011763562 570581427 /nfs/dbraw/zinc/58/14/27/570581427.db2.gz FYFGVQHSDHQMIL-MEDHRJKHSA-N 0 1 383.463 4.451 50 0 GIAAMN O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000011813513 570583362 /nfs/dbraw/zinc/58/33/62/570583362.db2.gz QECSCMHZTSPKLD-KRWDZBQOSA-N 0 1 381.426 4.245 50 0 GIAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1F ZINC000011938239 570594873 /nfs/dbraw/zinc/59/48/73/570594873.db2.gz CNRNADPASCPVCZ-SFHVURJKSA-N 0 1 393.462 4.115 50 0 GIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)cc2)CC1 ZINC000012022365 570598818 /nfs/dbraw/zinc/59/88/18/570598818.db2.gz MYAGBISXZVERBS-UHFFFAOYSA-N 0 1 383.488 4.007 50 0 GIAAMN Cc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCCC3)c3ccccc3)n2)cc1 ZINC000005474250 570605828 /nfs/dbraw/zinc/60/58/28/570605828.db2.gz RKWBWOYWNZRBHY-SFHVURJKSA-N 0 1 378.501 4.236 50 0 GIAAMN CC(C)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340962 570625380 /nfs/dbraw/zinc/62/53/80/570625380.db2.gz VIGRXVIHBNIASE-FQEVSTJZSA-N 0 1 387.886 4.497 50 0 GIAAMN Cc1ccc2nc([C@H](NC(=O)c3cn(C4CCCCC4)nn3)C(C)C)[nH]c2c1 ZINC000012301448 570636669 /nfs/dbraw/zinc/63/66/69/570636669.db2.gz ZFHATDFUCKCUFP-LJQANCHMSA-N 0 1 380.496 4.095 50 0 GIAAMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(Br)c1 ZINC000044892368 570639541 /nfs/dbraw/zinc/63/95/41/570639541.db2.gz MLNAKNKGUIIZKJ-INIZCTEOSA-N 0 1 386.249 4.429 50 0 GIAAMN CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2ccc(OCC)cc2)oc1C ZINC000012373154 570648129 /nfs/dbraw/zinc/64/81/29/570648129.db2.gz HGIIWPLFGGIZCO-SFHVURJKSA-N 0 1 386.492 4.356 50 0 GIAAMN Cc1ccc(NC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c(OCc2ccccc2)c1 ZINC000072313740 570652363 /nfs/dbraw/zinc/65/23/63/570652363.db2.gz DPPSZUAYIZENDC-GOSISDBHSA-N 0 1 391.475 4.104 50 0 GIAAMN OC[C@]1(CCCc2ccccc2)CCCN(Cc2ccc3nsnc3c2)C1 ZINC000012431687 570660228 /nfs/dbraw/zinc/66/02/28/570660228.db2.gz BZAVQVAXPIHWGT-JOCHJYFZSA-N 0 1 381.545 4.289 50 0 GIAAMN COc1ccccc1/C=C/CN1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012450862 570668196 /nfs/dbraw/zinc/66/81/96/570668196.db2.gz VRERAQPZHXSBOB-RMKNXTFCSA-N 0 1 384.907 4.096 50 0 GIAAMN COc1cccc(COC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000060350562 570672468 /nfs/dbraw/zinc/67/24/68/570672468.db2.gz BNZJLDUSPUECSN-FQEVSTJZSA-N 0 1 393.405 4.193 50 0 GIAAMN CCOC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c2ccccc2[nH]c1=O ZINC000072325676 570673381 /nfs/dbraw/zinc/67/33/81/570673381.db2.gz XVYAHVODXQFSTO-SFHVURJKSA-N 0 1 395.455 4.106 50 0 GIAAMN Cc1ccc(-c2cnn3c2nc(C)cc3N2CCN(Cc3ccccc3)CC2)cc1 ZINC000054219938 570676764 /nfs/dbraw/zinc/67/67/64/570676764.db2.gz QLMLMAHCEYJWLB-UHFFFAOYSA-N 0 1 397.526 4.335 50 0 GIAAMN c1cn(CCCCOc2ccccc2CN2CCC[C@H]2c2ccccn2)cn1 ZINC000055108528 570683518 /nfs/dbraw/zinc/68/35/18/570683518.db2.gz BKGPERSHHRGXKF-QFIPXVFZSA-N 0 1 376.504 4.474 50 0 GIAAMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000155388260 570686360 /nfs/dbraw/zinc/68/63/60/570686360.db2.gz OFNGQTUXXAYQCQ-AWEZNQCLSA-N 0 1 383.879 4.437 50 0 GIAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)C3CCCCC3)nc21 ZINC000004359267 570701205 /nfs/dbraw/zinc/70/12/05/570701205.db2.gz XVRHPKTZSGTMHD-UHFFFAOYSA-N 0 1 375.538 4.170 50 0 GIAAMN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)c1cccs1 ZINC000012788237 570712861 /nfs/dbraw/zinc/71/28/61/570712861.db2.gz FJOITVXSHADTAQ-HNNXBMFYSA-N 0 1 392.322 4.025 50 0 GIAAMN CC(C)(NCC(=O)NC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000058175122 570715792 /nfs/dbraw/zinc/71/57/92/570715792.db2.gz RVGKVHZWSIZJOE-UHFFFAOYSA-N 0 1 380.275 4.166 50 0 GIAAMN C[C@]1(C(=O)NC2CCN(Cc3ccccc3F)CC2)CCCc2ccccc21 ZINC000058423944 570732545 /nfs/dbraw/zinc/73/25/45/570732545.db2.gz VDZLSSMIDBFDEK-DEOSSOPVSA-N 0 1 380.507 4.201 50 0 GIAAMN COC(=O)c1ccc(NC(=O)CN2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012995011 570739492 /nfs/dbraw/zinc/73/94/92/570739492.db2.gz MMROFVRZPUSNOQ-NRFANRHFSA-N 0 1 396.487 4.038 50 0 GIAAMN CCOc1ccc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 ZINC000013068599 570745019 /nfs/dbraw/zinc/74/50/19/570745019.db2.gz HRGSNVJSCWGORV-KRWDZBQOSA-N 0 1 381.501 4.248 50 0 GIAAMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1 ZINC000064845298 570756617 /nfs/dbraw/zinc/75/66/17/570756617.db2.gz KUNMPSIDZQXQBQ-UHFFFAOYSA-N 0 1 390.486 4.332 50 0 GIAAMN CCCN1CCN(CC(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC000025539834 570758627 /nfs/dbraw/zinc/75/86/27/570758627.db2.gz OCEXHADHNOWMBG-UHFFFAOYSA-N 0 1 397.588 4.421 50 0 GIAAMN CC(C)Cc1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)n(C)n1 ZINC000067587519 570782124 /nfs/dbraw/zinc/78/21/24/570782124.db2.gz BBSSKXSVRAGZNX-SFHVURJKSA-N 0 1 391.519 4.029 50 0 GIAAMN Cc1ccc2cc(C3(O)CCN(Cc4ccc(O)cc4Cl)CC3)ccc2n1 ZINC000067679062 570786252 /nfs/dbraw/zinc/78/62/52/570786252.db2.gz ZDUOEOKNDPUATL-UHFFFAOYSA-N 0 1 382.891 4.386 50 0 GIAAMN CC(C)Cc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n[nH]1 ZINC000067723703 570788068 /nfs/dbraw/zinc/78/80/68/570788068.db2.gz KHPXUACHSFQOBR-KRWDZBQOSA-N 0 1 382.291 4.129 50 0 GIAAMN Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc4ccccn4n3)C2)cc1 ZINC000067784420 570790498 /nfs/dbraw/zinc/79/04/98/570790498.db2.gz QKODFRWXDHWBLN-SFHVURJKSA-N 0 1 385.471 4.053 50 0 GIAAMN O=c1cc(CN[C@H](Cc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 ZINC000032759580 570795052 /nfs/dbraw/zinc/79/50/52/570795052.db2.gz FFOBEHRENXQWFP-OAQYLSRUSA-N 0 1 389.886 4.422 50 0 GIAAMN Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CC[C@H]1CCOC1)C2 ZINC000067967446 570798839 /nfs/dbraw/zinc/79/88/39/570798839.db2.gz YPJMFIBFZDJRKQ-HNNXBMFYSA-N 0 1 396.512 4.290 50 0 GIAAMN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(COc2ccccc2F)n[nH]1 ZINC000067965605 570799173 /nfs/dbraw/zinc/79/91/73/570799173.db2.gz DTCUWKQSVWUDRC-HXUWFJFHSA-N 0 1 379.435 4.414 50 0 GIAAMN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071618 570803219 /nfs/dbraw/zinc/80/32/19/570803219.db2.gz LCELZOJHATVHTF-MRXNPFEDSA-N 0 1 382.895 4.058 50 0 GIAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccccc2F)n1 ZINC000006009406 570813812 /nfs/dbraw/zinc/81/38/12/570813812.db2.gz IGKQWDQTSPNWDD-UHFFFAOYSA-N 0 1 379.844 4.444 50 0 GIAAMN Cc1cc(-n2c(C)cc(C(=O)CSc3nc(-c4cccs4)n[nH]3)c2C)no1 ZINC000006035531 570815772 /nfs/dbraw/zinc/81/57/72/570815772.db2.gz IZXGGUJLKAWDSR-UHFFFAOYSA-N 0 1 399.501 4.212 50 0 GIAAMN CC[C@@H](NCc1cc(=O)n2cc(C)ccc2n1)c1ccc(Br)cc1 ZINC000007375310 570831266 /nfs/dbraw/zinc/83/12/66/570831266.db2.gz ZMSISWPLWQLXAV-QGZVFWFLSA-N 0 1 386.293 4.006 50 0 GIAAMN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(O)c12 ZINC000007424058 570841071 /nfs/dbraw/zinc/84/10/71/570841071.db2.gz KGWUZNRAFAMZPE-UHFFFAOYSA-N 0 1 396.809 4.067 50 0 GIAAMN COc1ccc(-c2n[nH]c(SCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000007470766 570847580 /nfs/dbraw/zinc/84/75/80/570847580.db2.gz VRIAIPZDVIVPIL-UHFFFAOYSA-N 0 1 399.863 4.476 50 0 GIAAMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037212983 570848503 /nfs/dbraw/zinc/84/85/03/570848503.db2.gz BOELZLLRPCWHHR-HOTGVXAUSA-N 0 1 385.895 4.018 50 0 GIAAMN CCN1CCN(c2ccccc2NC(=O)[C@H](C)Sc2ccc(C)cc2)CC1 ZINC000012557906 570860129 /nfs/dbraw/zinc/86/01/29/570860129.db2.gz RVUXFDUHGOLDDO-SFHVURJKSA-N 0 1 383.561 4.256 50 0 GIAAMN COCc1ncc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000072129640 570868321 /nfs/dbraw/zinc/86/83/21/570868321.db2.gz IFXMZMVJSFOCQA-MRXNPFEDSA-N 0 1 393.453 4.487 50 0 GIAAMN CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCCN1Cc1ccc(F)cc1 ZINC000072130993 570868918 /nfs/dbraw/zinc/86/89/18/570868918.db2.gz LUFJWYOUCPZAGI-FQEVSTJZSA-N 0 1 389.902 4.247 50 0 GIAAMN O=C([O-])COc1cccc(C[N@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c1 ZINC000072140216 570869740 /nfs/dbraw/zinc/86/97/40/570869740.db2.gz YBHWTONXWGDMGG-KRWDZBQOSA-N 0 1 389.442 4.273 50 0 GIAAMN O=C(CCc1ccccc1)[C@@H]1CCCN(Cc2cc(-c3ccccn3)no2)C1 ZINC000072144030 570870659 /nfs/dbraw/zinc/87/06/59/570870659.db2.gz SVTSKMLUTREZBE-LJQANCHMSA-N 0 1 375.472 4.151 50 0 GIAAMN Cc1[nH]c(SCC(=O)N[C@H]2CCOc3ccccc32)nc1Cc1ccccc1 ZINC000012567195 570870754 /nfs/dbraw/zinc/87/07/54/570870754.db2.gz WFKWEJQUKLPCSJ-SFHVURJKSA-N 0 1 393.512 4.041 50 0 GIAAMN COc1ccccc1CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000012603360 570887377 /nfs/dbraw/zinc/88/73/77/570887377.db2.gz OTAPMKRQQROZHP-DEOSSOPVSA-N 0 1 385.467 4.410 50 0 GIAAMN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C1CC1 ZINC000012604830 570888126 /nfs/dbraw/zinc/88/81/26/570888126.db2.gz JBGGTPLUBORKFH-UHFFFAOYSA-N 0 1 385.272 4.143 50 0 GIAAMN Cn1nccc1[C@@H]1CCCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000071817052 570893630 /nfs/dbraw/zinc/89/36/30/570893630.db2.gz SGDYUIANSBZHNV-GOSISDBHSA-N 0 1 396.922 4.427 50 0 GIAAMN COCc1n[nH]c(C)c1-c1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000534578970 570902080 /nfs/dbraw/zinc/90/20/80/570902080.db2.gz GIQJTSWCHTZTTQ-INIZCTEOSA-N 0 1 377.488 4.283 50 0 GIAAMN C[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000105010956 570912805 /nfs/dbraw/zinc/91/28/05/570912805.db2.gz VJJMWQOGIZXVOQ-HTAPYJJXSA-N 0 1 379.479 4.378 50 0 GIAAMN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccccc2)cc1 ZINC000004061597 570927689 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GIAAMN CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000037560061 221874525 /nfs/dbraw/zinc/87/45/25/221874525.db2.gz STOMARNWECILEU-UHFFFAOYSA-N 0 1 396.531 4.420 50 0 GIAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057315266 222030212 /nfs/dbraw/zinc/03/02/12/222030212.db2.gz MNEBVQFWLBUAIV-MRXNPFEDSA-N 0 1 391.446 4.367 50 0 GIAAMN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000055360742 222020177 /nfs/dbraw/zinc/02/01/77/222020177.db2.gz NEFIMYJEACGIMX-MRXNPFEDSA-N 0 1 383.492 4.476 50 0 GIAAMN CSc1ncc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)cn1 ZINC000055568666 222022239 /nfs/dbraw/zinc/02/22/39/222022239.db2.gz HNGBXFPVVRSEGO-SFHVURJKSA-N 0 1 397.523 4.327 50 0 GIAAMN C[C@H]1CCCCN1Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)no1 ZINC000065216367 222111800 /nfs/dbraw/zinc/11/18/00/222111800.db2.gz AOEQVWDGQZHLQJ-KRWDZBQOSA-N 0 1 377.492 4.142 50 0 GIAAMN Cc1ccc(NC(=O)[C@@H](NCCOc2ccccc2F)c2ccccc2)cc1 ZINC000058123170 222038952 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CC(C)c1nccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)n1 ZINC000067447096 222146491 /nfs/dbraw/zinc/14/64/91/222146491.db2.gz XEFUWBUTJLSJKN-QGZVFWFLSA-N 0 1 375.476 4.010 50 0 GIAAMN COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000067674159 222153643 /nfs/dbraw/zinc/15/36/43/222153643.db2.gz FRQVBMRSJMELFN-UHFFFAOYSA-N 0 1 375.472 4.414 50 0 GIAAMN CC(C)c1nnsc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000067713459 222156036 /nfs/dbraw/zinc/15/60/36/222156036.db2.gz QCMHPCNHBVSUTB-HNNXBMFYSA-N 0 1 381.505 4.071 50 0 GIAAMN CC(C)(C)c1cc(Cn2cnc(-c3ccccc3)c2-c2ccc(CO)o2)[nH]n1 ZINC000067934568 222166698 /nfs/dbraw/zinc/16/66/98/222166698.db2.gz BVFDLUZMIUQYLR-UHFFFAOYSA-N 0 1 376.460 4.371 50 0 GIAAMN O=C(c1n[nH]c2ccccc21)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067956477 222169942 /nfs/dbraw/zinc/16/99/42/222169942.db2.gz APEHDDNYQDBSHV-UHFFFAOYSA-N 0 1 389.434 4.112 50 0 GIAAMN O=S(=O)(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccc(Cl)cc1 ZINC000071279315 222178811 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