smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1c2ccc(S(=O)(=O)N3CCCC3C(=O)[O-])c3cccc(c23)C1=O ZINC000000631335 539331563 /nfs/dbraw/zinc/33/15/63/539331563.db2.gz GWXPEKYEANOENV-CQSZACIVSA-N -1 3 374.418 2.058 50 0 FEAAHM O=C(CCc1n[n-]c(=S)[nH]c1=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000011332584 539527516 /nfs/dbraw/zinc/52/75/16/539527516.db2.gz YVIGFOMFPBISCW-UHFFFAOYSA-N -1 3 374.344 2.340 50 0 FEAAHM COc1ccc(Cl)cc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000021111692 539680427 /nfs/dbraw/zinc/68/04/27/539680427.db2.gz XNRWDEVEVJHAKC-UHFFFAOYSA-N -1 3 360.844 2.327 50 0 FEAAHM COc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000025444278 539759565 /nfs/dbraw/zinc/75/95/65/539759565.db2.gz WRTCBOSPPOEUJW-NSHDSACASA-N -1 3 352.387 2.140 50 0 FEAAHM CN(C)[C@@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccsc1 ZINC000025331965 539755747 /nfs/dbraw/zinc/75/57/47/539755747.db2.gz SGLXLUUHNKTONM-HNNXBMFYSA-N -1 3 367.496 2.152 50 0 FEAAHM Cc1cc(C)n2nc(C(=O)[N-]c3cc(C(=O)N(C)C)ccc3Cl)nc2n1 ZINC000031734763 539918177 /nfs/dbraw/zinc/91/81/77/539918177.db2.gz PIBXWKOGARZNBX-UHFFFAOYSA-N -1 3 372.816 2.349 50 0 FEAAHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)s1 ZINC000033310117 539973912 /nfs/dbraw/zinc/97/39/12/539973912.db2.gz JCVOAKYGXLMTKI-LBPRGKRZSA-N -1 3 352.481 2.466 50 0 FEAAHM Nc1nc2c(c(=O)[n-]1)CCN(C(=O)C[C@@H](c1ccco1)c1ccccc1)C2 ZINC000071753826 541770133 /nfs/dbraw/zinc/77/01/33/541770133.db2.gz SYJNNOJCFSMIAE-OAHLLOKOSA-N -1 3 364.405 2.052 50 0 FEAAHM Cc1noc(C)c1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCOCC1 ZINC000072302003 541797559 /nfs/dbraw/zinc/79/75/59/541797559.db2.gz GFCPZGAUANOTBD-UHFFFAOYSA-N -1 3 354.403 2.415 50 0 FEAAHM CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc([O-])cc2O)c1C ZINC000003334475 204092636 /nfs/dbraw/zinc/09/26/36/204092636.db2.gz MQTIKOOSUDTMKO-UHFFFAOYSA-N -1 3 361.350 2.259 50 0 FEAAHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([O-])ccc1Br ZINC000005102474 204192201 /nfs/dbraw/zinc/19/22/01/204192201.db2.gz OOXWBJHFPKKPSU-LBPRGKRZSA-N -1 3 355.188 2.346 50 0 FEAAHM COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1[O-] ZINC000007458987 204297505 /nfs/dbraw/zinc/29/75/05/204297505.db2.gz KERZRKULNRNNMU-UHFFFAOYSA-N -1 3 355.325 2.338 50 0 FEAAHM O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000009447946 204368776 /nfs/dbraw/zinc/36/87/76/204368776.db2.gz NSZQIVQFTDSDTB-UHFFFAOYSA-N -1 3 364.365 2.194 50 0 FEAAHM O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000009447946 204368780 /nfs/dbraw/zinc/36/87/80/204368780.db2.gz NSZQIVQFTDSDTB-UHFFFAOYSA-N -1 3 364.365 2.194 50 0 FEAAHM Cc1ccccc1C(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000013729635 204548761 /nfs/dbraw/zinc/54/87/61/204548761.db2.gz KOVWUROOBWBYGI-UHFFFAOYSA-N -1 3 359.389 2.347 50 0 FEAAHM CCn1cc(-c2csc([N-]C(=O)c3nc4ncccn4n3)n2)c(C)n1 ZINC000036618691 205017213 /nfs/dbraw/zinc/01/72/13/205017213.db2.gz MCBIQGRQJHKHIU-UHFFFAOYSA-N -1 3 354.399 2.025 50 0 FEAAHM O=S(=O)([N-]C[C@@H](c1ccccc1)N1CCOCC1)c1cccs1 ZINC000042649583 205096894 /nfs/dbraw/zinc/09/68/94/205096894.db2.gz FMHNTPMEGSEROQ-HNNXBMFYSA-N -1 3 352.481 2.100 50 0 FEAAHM Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccn4)n[n-]3)cs2)o1 ZINC000053526941 205193580 /nfs/dbraw/zinc/19/35/80/205193580.db2.gz WZGDEXWSJYPTTK-UHFFFAOYSA-N -1 3 366.406 2.495 50 0 FEAAHM C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000058192467 205257102 /nfs/dbraw/zinc/25/71/02/205257102.db2.gz HVIYGYZXAJOVBF-SNVBAGLBSA-N -1 3 350.893 2.328 50 0 FEAAHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)CCN1c1ccc(F)cc1 ZINC000065229292 205326707 /nfs/dbraw/zinc/32/67/07/205326707.db2.gz ZPZWNXLQQFKBNV-AWEZNQCLSA-N -1 3 370.352 2.188 50 0 FEAAHM CC(C)c1nc(C[N-]S(=O)(=O)c2cccs2)n(-c2ccccn2)n1 ZINC000065376318 205341347 /nfs/dbraw/zinc/34/13/47/205341347.db2.gz NTTORCBCCOKAES-UHFFFAOYSA-N -1 3 363.468 2.326 50 0 FEAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cccc(OC(F)F)c1)CC2 ZINC000095359587 205730519 /nfs/dbraw/zinc/73/05/19/205730519.db2.gz BWWAWNRDLZYHNU-CQSZACIVSA-N -1 3 368.380 2.186 50 0 FEAAHM CCOc1ncccc1[C@H](C(=O)[O-])N1CCCN(C(=O)c2ccco2)CC1 ZINC000095391613 205751271 /nfs/dbraw/zinc/75/12/71/205751271.db2.gz XEIWWHYZOQHYIC-MRXNPFEDSA-N -1 3 373.409 2.047 50 0 FEAAHM O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc2n[n-]nc2c1 ZINC000218894804 206374325 /nfs/dbraw/zinc/37/43/25/206374325.db2.gz LACXKYHZHNWILF-SJLPKXTDSA-N -1 3 352.394 2.062 50 0 FEAAHM Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Cc4cnc(C)[n-]c4=O)C3)nc21 ZINC000077408191 542379683 /nfs/dbraw/zinc/37/96/83/542379683.db2.gz FVEKYADQRIVPAL-CQSZACIVSA-N -1 3 365.437 2.212 50 0 FEAAHM Cc1cccc2nc([C@@H]3CCCN(C(=O)Cc4cnc(C)[n-]c4=O)C3)[nH]c21 ZINC000077408191 542379685 /nfs/dbraw/zinc/37/96/85/542379685.db2.gz FVEKYADQRIVPAL-CQSZACIVSA-N -1 3 365.437 2.212 50 0 FEAAHM Cc1cc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)c2ccccc2n1 ZINC000004324303 132386807 /nfs/dbraw/zinc/38/68/07/132386807.db2.gz HBRFCGFSETYTGV-HUUCEWRRSA-N -1 3 353.422 2.303 50 0 FEAAHM O=C([O-])[C@@H](c1ccc(F)c(CO)c1)N1CCN(C2CCCCC2)CC1 ZINC000095372830 542962741 /nfs/dbraw/zinc/96/27/41/542962741.db2.gz WCBCULNHAFSZCZ-GOSISDBHSA-N -1 3 350.434 2.394 50 0 FEAAHM O=C(c1cccc([O-])c1)N1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072425798 136146450 /nfs/dbraw/zinc/14/64/50/136146450.db2.gz FXXOAJJLSBEWJI-INIZCTEOSA-N -1 3 368.437 2.039 50 0 FEAAHM C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1[O-] ZINC000079473739 136151036 /nfs/dbraw/zinc/15/10/36/136151036.db2.gz DGJSCUWDWNZUKQ-HNNXBMFYSA-N -1 3 368.437 2.251 50 0 FEAAHM Cc1nc(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)cc(=O)[n-]1 ZINC000095383005 542965481 /nfs/dbraw/zinc/96/54/81/542965481.db2.gz IAUJCGIEWKFXEK-UHFFFAOYSA-N -1 3 359.389 2.323 50 0 FEAAHM Cc1nc(C2CCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2)cc(=O)[n-]1 ZINC000095515408 542978057 /nfs/dbraw/zinc/97/80/57/542978057.db2.gz YJCBXDBLVHXPMP-ZDUSSCGKSA-N -1 3 357.458 2.365 50 0 FEAAHM Cn1cnc(S(=O)(=O)[N-]C[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 ZINC000096025772 542987571 /nfs/dbraw/zinc/98/75/71/542987571.db2.gz JNIOJPAUYVEKOW-IBGZPJMESA-N -1 3 371.462 2.273 50 0 FEAAHM O=C([O-])COc1ccc(CN2CCCN(Cc3ccccn3)CC2)cc1 ZINC000097155719 543006112 /nfs/dbraw/zinc/00/61/12/543006112.db2.gz UKPWEZGSRJPFNR-UHFFFAOYSA-N -1 3 355.438 2.253 50 0 FEAAHM CCOC(=O)c1ncc(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)[n-]1 ZINC000170614489 546165465 /nfs/dbraw/zinc/16/54/65/546165465.db2.gz RRKWFOXTMIADJM-UHFFFAOYSA-N -1 3 354.370 2.036 50 0 FEAAHM CCOC(=O)c1nc(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)c[n-]1 ZINC000170614489 546165471 /nfs/dbraw/zinc/16/54/71/546165471.db2.gz RRKWFOXTMIADJM-UHFFFAOYSA-N -1 3 354.370 2.036 50 0 FEAAHM CC(C)(C)c1cc(C(=O)NCC[C@H]2COc3ccccc3O2)[n-]c(=O)n1 ZINC000215157605 548670052 /nfs/dbraw/zinc/67/00/52/548670052.db2.gz HNLFXGZJFSFSIO-LBPRGKRZSA-N -1 3 357.410 2.027 50 0 FEAAHM CN1Cc2ccc([N-]S(=O)(=O)CCOCc3ccccc3)cc2C1=O ZINC000223453789 548721256 /nfs/dbraw/zinc/72/12/56/548721256.db2.gz GALVYTAVCLAHGD-UHFFFAOYSA-N -1 3 360.435 2.231 50 0 FEAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@](O)(c1ccco1)c1cccs1 ZINC000225589229 548738983 /nfs/dbraw/zinc/73/89/83/548738983.db2.gz LMYOXWKKNICSNC-OAHLLOKOSA-N -1 3 368.436 2.160 50 0 FEAAHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000237525665 548832702 /nfs/dbraw/zinc/83/27/02/548832702.db2.gz BSFMXMGPNNVTIQ-UHFFFAOYSA-N -1 3 354.472 2.234 50 0 FEAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc4[nH]ccc4c3)CC2)n1 ZINC000238960988 548882418 /nfs/dbraw/zinc/88/24/18/548882418.db2.gz YLLQDWSQOJKWKU-UHFFFAOYSA-N -1 3 351.410 2.371 50 0 FEAAHM O=C(c1ccc(-n2cccc2)cc1)N1CCC(n2c([O-])coc2=O)CC1 ZINC000253394238 549685876 /nfs/dbraw/zinc/68/58/76/549685876.db2.gz AXNWZPIVBIHBHJ-UHFFFAOYSA-N -1 3 353.378 2.061 50 0 FEAAHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)c1nnc3ccccn31)c2=O ZINC000495202742 561484254 /nfs/dbraw/zinc/48/42/54/561484254.db2.gz SWAHIZLDVWGLPW-LLVKDONJSA-N -1 3 363.377 2.070 50 0 FEAAHM Cc1cc(=NC(=O)C2N=NC3=C2CCCC3)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000334159217 554683144 /nfs/dbraw/zinc/68/31/44/554683144.db2.gz HKEAYEGQTNMGNZ-HEIHTXTDSA-N -1 3 363.443 2.406 50 0 FEAAHM CC(C)Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)[n-]c(=O)n1 ZINC000670444376 571349728 /nfs/dbraw/zinc/34/97/28/571349728.db2.gz DLBDNQDCBTVSOL-ZDUSSCGKSA-N -1 3 372.425 2.008 50 0 FEAAHM CCc1nc(C)c(CC(=O)NC2CCN(Cc3cccs3)CC2)c(=O)[n-]1 ZINC000670456692 571354700 /nfs/dbraw/zinc/35/47/00/571354700.db2.gz BVDQBHUDQFYCHU-UHFFFAOYSA-N -1 3 374.510 2.438 50 0 FEAAHM COCCN1CC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000670460461 571356619 /nfs/dbraw/zinc/35/66/19/571356619.db2.gz HSEMHBIQQNONLI-ZDUSSCGKSA-N -1 3 354.497 2.148 50 0 FEAAHM Cc1cc(C(F)(F)F)nn1CC(=O)N1NC(C)=C[C@]1([O-])C(F)(F)F ZINC000000655704 539332463 /nfs/dbraw/zinc/33/24/63/539332463.db2.gz XJPRQXIEPYBTCJ-JTQLQIEISA-N -1 3 358.242 2.069 50 0 FEAAHM O=C(c1cccc(F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450675 539528869 /nfs/dbraw/zinc/52/88/69/539528869.db2.gz KDSFTAXCMUMECR-UHFFFAOYSA-N -1 3 368.455 2.470 50 0 FEAAHM CC1(C)CC(=O)c2cnc3c(c(=O)[n-]c(=O)n3CCc3ccccc3)c2C1 ZINC000019818778 539670105 /nfs/dbraw/zinc/67/01/05/539670105.db2.gz UGELABSNBXLCFG-UHFFFAOYSA-N -1 3 363.417 2.483 50 0 FEAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCCCC3)cc(C(C)C)nc21 ZINC000024751659 539739624 /nfs/dbraw/zinc/73/96/24/539739624.db2.gz NGYYIFBLWFULKC-UHFFFAOYSA-N -1 3 358.442 2.244 50 0 FEAAHM COc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccccc2)cc1Cl ZINC000025134855 539749422 /nfs/dbraw/zinc/74/94/22/539749422.db2.gz FEGSTWCNGRBHLZ-UHFFFAOYSA-N -1 3 368.842 2.407 50 0 FEAAHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c([O-])c1 ZINC000029654133 539859936 /nfs/dbraw/zinc/85/99/36/539859936.db2.gz IYALWBRYLYCQIA-UHFFFAOYSA-N -1 3 368.389 2.028 50 0 FEAAHM Cc1[nH]nc2c1[C@@H](c1cccc(Br)c1)c1c(=O)[n-]c(=O)[nH]c1N2 ZINC000031809448 539920154 /nfs/dbraw/zinc/92/01/54/539920154.db2.gz VRTKCPOPDCWTTC-SNVBAGLBSA-N -1 3 374.198 2.094 50 0 FEAAHM CCOC(=O)N[C@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)CC(C)C ZINC000032584728 539943264 /nfs/dbraw/zinc/94/32/64/539943264.db2.gz FCZMHSXHCRDPEX-XDUBLRSXSA-N -1 3 359.426 2.048 50 0 FEAAHM O=C1Cc2cc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCO4)ccc2N1 ZINC000032854956 539956015 /nfs/dbraw/zinc/95/60/15/539956015.db2.gz KQOVVOKPKMCJOZ-UHFFFAOYSA-N -1 3 366.782 2.364 50 0 FEAAHM Cc1cc(C)c2ccc(C(=O)N3CCc4c(nc(C)[n-]c4=O)C3)nc2c1O ZINC000071774424 541771972 /nfs/dbraw/zinc/77/19/72/541771972.db2.gz LBIZBLRCTBPLFR-UHFFFAOYSA-N -1 3 364.405 2.147 50 0 FEAAHM Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1[O-] ZINC000072153310 541790337 /nfs/dbraw/zinc/79/03/37/541790337.db2.gz DPZDXTQWVTZXNX-MRXNPFEDSA-N -1 3 356.397 2.413 50 0 FEAAHM O=C(CN1CCCCCC1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072162476 541792665 /nfs/dbraw/zinc/79/26/65/541792665.db2.gz ZHVWQMBCFPCYCS-UHFFFAOYSA-N -1 3 366.465 2.198 50 0 FEAAHM Cc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000072479235 541821585 /nfs/dbraw/zinc/82/15/85/541821585.db2.gz GILHGFLIVZUYIR-CQSZACIVSA-N -1 3 364.515 2.036 50 0 FEAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CC(C)C)C2=O ZINC000002395833 204037629 /nfs/dbraw/zinc/03/76/29/204037629.db2.gz NZNADKCCLLBTGZ-SFHVURJKSA-N -1 3 374.466 2.153 50 0 FEAAHM O=C1N[C@H](c2ccncc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004140099 204123336 /nfs/dbraw/zinc/12/33/36/204123336.db2.gz LOIPLWAYKJCXIZ-WOSRLPQWSA-N -1 3 365.311 2.186 50 0 FEAAHM CCOC([O-])=NC(=O)COC(=O)c1csc(NCc2ccccc2)n1 ZINC000006373541 204246027 /nfs/dbraw/zinc/24/60/27/204246027.db2.gz YVENJPPKCCBHDQ-UHFFFAOYSA-N -1 3 363.395 2.185 50 0 FEAAHM CCOC(=O)[N-]C(=O)COC(=O)c1csc(NCc2ccccc2)n1 ZINC000006373541 204246030 /nfs/dbraw/zinc/24/60/30/204246030.db2.gz YVENJPPKCCBHDQ-UHFFFAOYSA-N -1 3 363.395 2.185 50 0 FEAAHM COC(=O)c1cc(-c2ccccc2F)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000008345977 204328940 /nfs/dbraw/zinc/32/89/40/204328940.db2.gz RDUQQNHIFHVOPL-UHFFFAOYSA-N -1 3 371.368 2.334 50 0 FEAAHM COc1cccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000010112611 204391098 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50 0 FEAAHM O=S(=O)([N-]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1F ZINC000044782795 208318612 /nfs/dbraw/zinc/31/86/12/208318612.db2.gz LVWOBLJGDMXJAM-QGZVFWFLSA-N -1 3 364.442 2.178 50 0 FEAAHM O=C([O-])C1(n2cccn2)CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072479080 208873715 /nfs/dbraw/zinc/87/37/15/208873715.db2.gz CZKAIVBQSIUWPV-UHFFFAOYSA-N -1 3 357.439 2.411 50 0 FEAAHM CSc1ccccc1[C@H](C(=O)[O-])N1CCN(C2CCN(C)CC2)CC1 ZINC000095373937 209037085 /nfs/dbraw/zinc/03/70/85/209037085.db2.gz JXCCWLBQKUTXRP-GOSISDBHSA-N -1 3 363.527 2.246 50 0 FEAAHM O=C(NCc1nnc2ccccn21)c1c[n-]c2ccc(Cl)cc2c1=O ZINC000095473533 209057320 /nfs/dbraw/zinc/05/73/20/209057320.db2.gz HEXTVUXIRGNSLS-UHFFFAOYSA-N -1 3 353.769 2.154 50 0 FEAAHM O=C(NCc1nnc2ccccn21)c1cnc2ccc(Cl)cc2c1[O-] ZINC000095473533 209057321 /nfs/dbraw/zinc/05/73/21/209057321.db2.gz HEXTVUXIRGNSLS-UHFFFAOYSA-N -1 3 353.769 2.154 50 0 FEAAHM COc1ccc(C(C)(C)C)cc1NC(=O)NCCc1nc(N)cc(=O)[n-]1 ZINC000095505904 209064824 /nfs/dbraw/zinc/06/48/24/209064824.db2.gz 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ZINC000003503750 539368497 /nfs/dbraw/zinc/36/84/97/539368497.db2.gz LZORETJBAPWPGO-UHFFFAOYSA-N -1 3 355.362 2.257 50 0 FEAAHM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc3ncsc3c2)C1=O ZINC000009750713 539508059 /nfs/dbraw/zinc/50/80/59/539508059.db2.gz REKBJGYRSBIPJU-SFHVURJKSA-N -1 3 366.402 2.408 50 0 FEAAHM CN(C)C1(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCCCCC1 ZINC000013090275 539583718 /nfs/dbraw/zinc/58/37/18/539583718.db2.gz XRNGLAPEALNJNB-UHFFFAOYSA-N -1 3 372.462 2.457 50 0 FEAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCSc2ccccc21 ZINC000012903729 539578836 /nfs/dbraw/zinc/57/88/36/539578836.db2.gz UABWPSJBETWIEE-OAHLLOKOSA-N -1 3 367.430 2.043 50 0 FEAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCCN(c2ncccn2)CC1 ZINC000020739558 539677809 /nfs/dbraw/zinc/67/78/09/539677809.db2.gz WCIGVTLBUGLGJE-QGZVFWFLSA-N -1 3 369.400 2.435 50 0 FEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000024814511 539741574 /nfs/dbraw/zinc/74/15/74/539741574.db2.gz OQTVLMQUUCKSDO-HNNXBMFYSA-N 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COc1ccc(CN2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1 ZINC000072410579 541807633 /nfs/dbraw/zinc/80/76/33/541807633.db2.gz FCXBMFMQIAZUKI-SFHVURJKSA-N -1 3 372.465 2.373 50 0 FEAAHM CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000072423758 541810232 /nfs/dbraw/zinc/81/02/32/541810232.db2.gz BJRQRJLWSBEWJJ-MRXNPFEDSA-N -1 3 360.454 2.492 50 0 FEAAHM CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000072423758 541810234 /nfs/dbraw/zinc/81/02/34/541810234.db2.gz BJRQRJLWSBEWJJ-MRXNPFEDSA-N -1 3 360.454 2.492 50 0 FEAAHM COCc1cc(CN2CCC(C(=O)[O-])(n3ccnc3)CC2)ccc1OC ZINC000072430159 541812823 /nfs/dbraw/zinc/81/28/23/541812823.db2.gz LPHNECLUOVMCGH-UHFFFAOYSA-N -1 3 359.426 2.114 50 0 FEAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCCC2)[n-]c3=O)cc1 ZINC000004224990 207008305 /nfs/dbraw/zinc/00/83/05/207008305.db2.gz LYTPOABVUIJGMJ-UHFFFAOYSA-N -1 3 369.450 2.132 50 0 FEAAHM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000005925340 207123484 /nfs/dbraw/zinc/12/34/84/207123484.db2.gz MOVXAFKSRWGBBY-SEYXRHQNSA-N -1 3 366.464 2.350 50 0 FEAAHM CCOc1ccc(CC(=O)N2NC=C[C@]2([O-])C(F)(F)F)cc1OCC ZINC000006488432 207141948 /nfs/dbraw/zinc/14/19/48/207141948.db2.gz MLMVQNUBITVCQT-HNNXBMFYSA-N -1 3 360.332 2.496 50 0 FEAAHM CCCCn1c(=O)[n-]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 ZINC000006939436 207180526 /nfs/dbraw/zinc/18/05/26/207180526.db2.gz PRKJUTMRXCBFHM-UHFFFAOYSA-N -1 3 371.368 2.478 50 0 FEAAHM CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000007376488 207194414 /nfs/dbraw/zinc/19/44/14/207194414.db2.gz LKVZHAWVIUCCMM-UHFFFAOYSA-N -1 3 352.250 2.163 50 0 FEAAHM CC[C@H](Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)C(=O)OC ZINC000011363993 207312466 /nfs/dbraw/zinc/31/24/66/207312466.db2.gz CGNUJPSZAUYPRN-LBPRGKRZSA-N -1 3 362.386 2.292 50 0 FEAAHM CCc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2CC)c1 ZINC000012413499 207371156 /nfs/dbraw/zinc/37/11/56/207371156.db2.gz URUVXKGMWRRULO-UHFFFAOYSA-N -1 3 357.439 2.433 50 0 biogenic,in-vitro FEAAHM O=C(c1csc(S(=O)(=O)[N-]C2CCCCCC2)c1)N1CCOCC1 ZINC000035405340 208124446 /nfs/dbraw/zinc/12/44/46/208124446.db2.gz CRQAQJYNWWBTIF-UHFFFAOYSA-N -1 3 372.512 2.222 50 0 FEAAHM Cc1cn(C)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1C(=O)[O-] ZINC000035453879 208124902 /nfs/dbraw/zinc/12/49/02/208124902.db2.gz JBQLLIKCHBIFML-UHFFFAOYSA-N -1 3 369.465 2.355 50 0 FEAAHM CCn1nc(C)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000040268797 208245922 /nfs/dbraw/zinc/24/59/22/208245922.db2.gz SKDDLZPYOSAUHN-UHFFFAOYSA-N -1 3 350.806 2.134 50 0 FEAAHM O=C([O-])[C@]12CN(Cc3ccc(F)c(Cl)c3)C[C@H]1C(=O)N(CC1CC1)C2 ZINC000077456571 542384960 /nfs/dbraw/zinc/38/49/60/542384960.db2.gz ABKDYOFUIRMHOG-UGSOOPFHSA-N -1 3 366.820 2.234 50 0 FEAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1c(OC)cccc1OC)C2 ZINC000067654254 208713103 /nfs/dbraw/zinc/71/31/03/208713103.db2.gz BTAGOJUYCZAGNT-GFCCVEGCSA-N -1 3 359.426 2.266 50 0 FEAAHM COc1cc2n[n-]nc2cc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000096012451 209096074 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0 FEAAHM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCN(c3ccncc3)CC2)c1 ZINC000095385540 132210115 /nfs/dbraw/zinc/21/01/15/132210115.db2.gz JRCYJGOWSZGOOK-GOSISDBHSA-N -1 3 357.410 2.047 50 0 FEAAHM Cc1ccc(CN2CCC[C@]3(C(=O)[O-])CN(c4ncccn4)CC[C@@H]23)o1 ZINC000072439053 136147585 /nfs/dbraw/zinc/14/75/85/136147585.db2.gz WXRXBRNWIGWZTF-APWZRJJASA-N -1 3 356.426 2.324 50 0 FEAAHM CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c1 ZINC000096027826 542987420 /nfs/dbraw/zinc/98/74/20/542987420.db2.gz PBBXMZIBTCLMGV-JTQLQIEISA-N -1 3 353.831 2.134 50 0 FEAAHM CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccccn2)c1 ZINC000096027827 542987554 /nfs/dbraw/zinc/98/75/54/542987554.db2.gz PBBXMZIBTCLMGV-SNVBAGLBSA-N -1 3 353.831 2.134 50 0 FEAAHM Cc1ccc([O-])c(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)n1 ZINC000103343996 543104207 /nfs/dbraw/zinc/10/42/07/543104207.db2.gz NDYMSQWMYXASCO-UHFFFAOYSA-N -1 3 363.483 2.462 50 0 FEAAHM O=C(c1ccccc1[O-])N1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000157542162 326868101 /nfs/dbraw/zinc/86/81/01/326868101.db2.gz ACAVXXOUDOEDJQ-UHFFFAOYSA-N -1 3 356.426 2.391 50 0 FEAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)N3CCCc4ccccc43)cnc21 ZINC000043077898 517622929 /nfs/dbraw/zinc/62/29/29/517622929.db2.gz HUOHVODTAXFDQX-UHFFFAOYSA-N -1 3 364.405 2.088 50 0 FEAAHM CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000085602220 521406271 /nfs/dbraw/zinc/40/62/71/521406271.db2.gz LODXNRARPOPVSQ-UHFFFAOYSA-N -1 3 371.846 2.281 50 0 FEAAHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2CCc2ccccn2)c(=O)[n-]1 ZINC000215324590 548670838 /nfs/dbraw/zinc/67/08/38/548670838.db2.gz XHRAQZXUZYLELL-KRWDZBQOSA-N -1 3 354.454 2.338 50 0 FEAAHM Cc1noc(C)c1CCC(=O)N[C@@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225636303 548739417 /nfs/dbraw/zinc/73/94/17/548739417.db2.gz WYXDCMMDBTZZEQ-INIZCTEOSA-N -1 3 371.393 2.060 50 0 FEAAHM CC[C@@]1(C)NC(=O)N([N-]C(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C1=O ZINC000278717090 550814431 /nfs/dbraw/zinc/81/44/31/550814431.db2.gz KKFKDXDXNORFBN-RFAUZJTJSA-N -1 3 373.331 2.224 50 0 FEAAHM COc1ccc2[n-]cc(C(=O)N3CC[C@H](c4nc(C)no4)C3)c(=O)c2c1 ZINC000299794893 553615652 /nfs/dbraw/zinc/61/56/52/553615652.db2.gz JBHNDDOVPSFVNL-NSHDSACASA-N -1 3 354.366 2.270 50 0 FEAAHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1F ZINC000331064882 554208454 /nfs/dbraw/zinc/20/84/54/554208454.db2.gz PKPQLFWCGPWZPV-VXGBXAGGSA-N -1 3 360.426 2.199 50 0 FEAAHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206996256 570794542 /nfs/dbraw/zinc/79/45/42/570794542.db2.gz FFSYTJIMUSRKAA-ZDUSSCGKSA-N -1 3 365.842 2.037 50 0 FEAAHM CC1CCN(Cc2cc(=O)n3nc(NCc4ccccc4)[n-]c3n2)CC1 ZINC000101795666 570823748 /nfs/dbraw/zinc/82/37/48/570823748.db2.gz SJRRAJXNUARPCX-UHFFFAOYSA-N -1 3 352.442 2.262 50 0 FEAAHM O=C([O-])Cn1ccc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)n1 ZINC000426413076 571222064 /nfs/dbraw/zinc/22/20/64/571222064.db2.gz ZPZJHMNHIWWATF-HNNXBMFYSA-N -1 3 367.409 2.397 50 0 FEAAHM COC[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccc(Cl)cc1 ZINC000192567770 672694293 /nfs/dbraw/zinc/69/42/93/672694293.db2.gz MWSRTHLHZVZOBM-CQSZACIVSA-N -1 3 360.801 2.445 50 0 FEAAHM O=C(NCc1ccco1)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000000819350 539334117 /nfs/dbraw/zinc/33/41/17/539334117.db2.gz OXWAIVOGFCIWGQ-KRWDZBQOSA-N -1 3 354.337 2.321 50 0 FEAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(c2cc(Cl)ccc2OC(C)=O)S1 ZINC000001410598 539341596 /nfs/dbraw/zinc/34/15/96/539341596.db2.gz DDCYZXPYHCKQBK-OAHLLOKOSA-N -1 3 369.830 2.440 50 0 FEAAHM CCCCN1c2ccc(C)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O ZINC000002409236 539348144 /nfs/dbraw/zinc/34/81/44/539348144.db2.gz ILPJJDCXDUNTNG-SFHVURJKSA-N -1 3 374.466 2.297 50 0 FEAAHM Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc([O-])cc2O)c(C)c1 ZINC000003417477 539365522 /nfs/dbraw/zinc/36/55/22/539365522.db2.gz SJURKVQNKZCOHG-UHFFFAOYSA-N -1 3 358.350 2.220 50 0 FEAAHM O=C(CCC[N-]S(=O)(=O)c1cccs1)NCc1ccc(F)cc1 ZINC000003894735 539373903 /nfs/dbraw/zinc/37/39/03/539373903.db2.gz HSGXTYRVWANCCA-UHFFFAOYSA-N -1 3 356.444 2.262 50 0 FEAAHM O=C([O-])[C@@H](CNC(=O)Cc1ccccc1)N1CCCC[C@@H]1c1cccnc1 ZINC000003999485 539374056 /nfs/dbraw/zinc/37/40/56/539374056.db2.gz KSYSDRSDSATWKN-RTBURBONSA-N -1 3 367.449 2.421 50 0 biogenic FEAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)CC3)cc1 ZINC000008976878 539495812 /nfs/dbraw/zinc/49/58/12/539495812.db2.gz YMVUZACGRGPDQF-UHFFFAOYSA-N -1 3 360.435 2.401 50 0 FEAAHM CCc1cc2c(CN3CCN(C(=O)C4CC4)CC3)cc(=O)oc2cc1[O-] ZINC000014093794 539593894 /nfs/dbraw/zinc/59/38/94/539593894.db2.gz PNSPCHZDZKESLM-UHFFFAOYSA-N -1 3 356.422 2.115 50 0 FEAAHM C[C@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1cc2ccccc2o1 ZINC000014184696 539597798 /nfs/dbraw/zinc/59/77/98/539597798.db2.gz STSASXYWYICWHT-LBPRGKRZSA-N -1 3 363.373 2.313 50 0 FEAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccc(OC)cc2)N1 ZINC000016637527 539635183 /nfs/dbraw/zinc/63/51/83/539635183.db2.gz GZZLEDGAVLEYJN-OAHLLOKOSA-N -1 3 373.331 2.273 50 0 FEAAHM CN(C)c1ncccc1C(=O)N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000253534927 209945376 /nfs/dbraw/zinc/94/53/76/209945376.db2.gz XCMCLGSWXCZAFY-JOCQHMNTSA-N -1 3 353.426 2.197 50 0 FEAAHM COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000024573680 539734557 /nfs/dbraw/zinc/73/45/57/539734557.db2.gz IMPJDJSXFPYTCY-UHFFFAOYSA-N -1 3 370.405 2.088 50 0 FEAAHM O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)[N-]C3CCCC3)c2)n[nH]1 ZINC000035378101 539981497 /nfs/dbraw/zinc/98/14/97/539981497.db2.gz GLAIYEKOMMWDKF-UHFFFAOYSA-N -1 3 353.831 2.311 50 0 FEAAHM O=C([O-])CNc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)c1 ZINC000055281597 540643428 /nfs/dbraw/zinc/64/34/28/540643428.db2.gz BHNBGAFWNCTZSY-HNNXBMFYSA-N -1 3 371.437 2.418 50 0 FEAAHM Cc1oc(C(=O)Nc2cccc([O-])c2F)cc1S(=O)(=O)N1CCCC1 ZINC000129302010 209370982 /nfs/dbraw/zinc/37/09/82/209370982.db2.gz NFDQXEDSKVWBSD-UHFFFAOYSA-N -1 3 368.386 2.470 50 0 FEAAHM COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)[n-]c(=O)c2C1 ZINC000113665351 209339225 /nfs/dbraw/zinc/33/92/25/209339225.db2.gz NRLOUOHLSBLQAS-UHFFFAOYSA-N -1 3 353.422 2.303 50 0 FEAAHM O=C(Nc1cc(Br)c[nH]c1=O)c1c[n-]c2ccccc2c1=O ZINC000063338210 541165765 /nfs/dbraw/zinc/16/57/65/541165765.db2.gz KJVNSCMUZAZIBZ-UHFFFAOYSA-N -1 3 360.167 2.231 50 0 FEAAHM COc1ccc(C2=NOC3=C([O-])N(c4cccc(F)c4)C(=O)[C@H]23)cc1OC ZINC000103518481 209253095 /nfs/dbraw/zinc/25/30/95/209253095.db2.gz PUIUPDBRYKRYQZ-NVXWUHKLSA-N -1 3 370.336 2.135 50 0 FEAAHM Cc1ccccc1-c1cc(O)c2c(c1)CN(CCc1nnn[n-]1)CCO2 ZINC000067691017 541499624 /nfs/dbraw/zinc/49/96/24/541499624.db2.gz UFDGZRZFCFHJQD-UHFFFAOYSA-N -1 3 351.410 2.318 50 0 FEAAHM Cc1ccccc1-c1cc(O)c2c(c1)CN(CCc1nn[n-]n1)CCO2 ZINC000067691017 541499627 /nfs/dbraw/zinc/49/96/27/541499627.db2.gz UFDGZRZFCFHJQD-UHFFFAOYSA-N -1 3 351.410 2.318 50 0 FEAAHM CC(C)C1CCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC1 ZINC000067934901 541530383 /nfs/dbraw/zinc/53/03/83/541530383.db2.gz SBCIHYNCVPTWIM-UHFFFAOYSA-N -1 3 372.512 2.149 50 0 FEAAHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)CCN1c1ccccc1 ZINC000068942114 541643188 /nfs/dbraw/zinc/64/31/88/541643188.db2.gz QSRQMQIKMPYSSS-AWEZNQCLSA-N -1 3 352.362 2.049 50 0 FEAAHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000069414246 541684728 /nfs/dbraw/zinc/68/47/28/541684728.db2.gz CCDNQHGNYMPAMG-HUUCEWRRSA-N -1 3 367.449 2.297 50 0 FEAAHM COc1ccc2cc([C@H]3CN(Cc4cc(=O)[n-]c(=O)[nH]4)CCO3)ccc2c1 ZINC000071415588 541767515 /nfs/dbraw/zinc/76/75/15/541767515.db2.gz MFYBWFISKXAFFE-GOSISDBHSA-N -1 3 367.405 2.211 50 0 FEAAHM CC[C@H](Sc1nc2ccccc2o1)C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000071661843 541768654 /nfs/dbraw/zinc/76/86/54/541768654.db2.gz XQBXOPAOGXBRIK-HNNXBMFYSA-N -1 3 370.434 2.367 50 0 FEAAHM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(CCOc1ccc(C)cc1C)CC2 ZINC000072146906 541788429 /nfs/dbraw/zinc/78/84/29/541788429.db2.gz XQEGXNXKFGXWSS-SFHVURJKSA-N -1 3 374.481 2.470 50 0 FEAAHM Cc1ncc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c(=O)[n-]1 ZINC000072424231 541809917 /nfs/dbraw/zinc/80/99/17/541809917.db2.gz PXRNQCXJFGTKKI-BBTUJRGHSA-N -1 3 367.449 2.371 50 0 FEAAHM 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FEAAHM O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1ccc2n[n-]nc2c1 ZINC000220597969 548701577 /nfs/dbraw/zinc/70/15/77/548701577.db2.gz ZRHMOGSADBRKOV-NVXWUHKLSA-N -1 3 356.357 2.063 50 0 FEAAHM O=C(NCCNC(=O)c1ccc2c(c1)CCCC2=O)c1ccc([O-])cc1 ZINC000293650654 552843998 /nfs/dbraw/zinc/84/39/98/552843998.db2.gz IGNWROKWTNFMHI-UHFFFAOYSA-N -1 3 352.390 2.071 50 0 FEAAHM CN1C[C@@H](NC(=O)c2ccc(CSc3ccccn3)cc2)C[C@H]1C(=O)[O-] ZINC000299789514 553615249 /nfs/dbraw/zinc/61/52/49/553615249.db2.gz WIOHIIKFNMPKKJ-HOTGVXAUSA-N -1 3 371.462 2.261 50 0 FEAAHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000332499103 554457014 /nfs/dbraw/zinc/45/70/14/554457014.db2.gz YYOCHDYGYGWMDR-GOEBONIOSA-N -1 3 361.435 2.325 50 0 FEAAHM CO[C@]12CCN(Cc3ccc4c(c3)OCO4)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000426541307 559737325 /nfs/dbraw/zinc/73/73/25/559737325.db2.gz KNIZAJJDXPHJEJ-DKSSEZFCSA-N -1 3 363.410 2.029 50 0 FEAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046073796 570923795 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CCc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2CC)cc1 ZINC000012413373 539558520 /nfs/dbraw/zinc/55/85/20/539558520.db2.gz JYCNLFBNRVJTDK-UHFFFAOYSA-N -1 3 357.439 2.433 50 0 biogenic,in-vitro FEAAHM CC(C)c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000014222008 539599914 /nfs/dbraw/zinc/59/99/14/539599914.db2.gz VBPGOSYCGIDNGB-UHFFFAOYSA-N -1 3 366.215 2.061 50 0 FEAAHM C[C@@H](Sc1nncn1C1CC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000021589382 539684889 /nfs/dbraw/zinc/68/48/89/539684889.db2.gz FOJRAXICUJOIMY-SNVBAGLBSA-N -1 3 366.468 2.348 50 0 FEAAHM Cc1ccoc1C(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000021733526 539686419 /nfs/dbraw/zinc/68/64/19/539686419.db2.gz FLWBQIUFIZFJGU-LLVKDONJSA-N -1 3 351.380 2.388 50 0 FEAAHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)c2cc(F)ccc2F)cc1 ZINC000023232465 539709226 /nfs/dbraw/zinc/70/92/26/539709226.db2.gz IRTRJJWLHZJCTA-UHFFFAOYSA-N -1 3 369.345 2.376 50 0 FEAAHM C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000023232403 539709382 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C[C@H](NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(F)c1 ZINC000040143433 540007481 /nfs/dbraw/zinc/00/74/81/540007481.db2.gz QVWSQXAPLYQSDG-LBPRGKRZSA-N -1 3 367.380 2.274 50 0 FEAAHM CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000067884480 541525577 /nfs/dbraw/zinc/52/55/77/541525577.db2.gz LEKIOWCQLDMJIH-VIFPVBQESA-N -1 3 351.815 2.111 50 0 FEAAHM COc1ccc(CN2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1 ZINC000072410578 541807557 /nfs/dbraw/zinc/80/75/57/541807557.db2.gz FCXBMFMQIAZUKI-GOSISDBHSA-N -1 3 372.465 2.373 50 0 FEAAHM COCc1cc(CN2CCC(C(=O)[O-])(n3cccn3)CC2)ccc1OC ZINC000072424114 541810104 /nfs/dbraw/zinc/81/01/04/541810104.db2.gz OFNNLAZKZAFBEP-UHFFFAOYSA-N -1 3 359.426 2.114 50 0 FEAAHM CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)[N-]N1C(=O)C=C(C)C1=O ZINC000002789448 204057989 /nfs/dbraw/zinc/05/79/89/204057989.db2.gz HUQPQZWWPQOAMB-LLVKDONJSA-N -1 3 357.193 2.497 50 0 FEAAHM C[C@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000007941985 204311956 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COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)c(OC)c1 ZINC000057520806 205243333 /nfs/dbraw/zinc/24/33/33/205243333.db2.gz JLRUOGMBFMEZCM-UHFFFAOYSA-N -1 3 374.422 2.308 50 0 FEAAHM CC(C)CCO[C@@H](C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000058227420 205265591 /nfs/dbraw/zinc/26/55/91/205265591.db2.gz VXYRPKXXECLVGA-ZDUSSCGKSA-N -1 3 370.471 2.322 50 0 FEAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000237130143 206088614 /nfs/dbraw/zinc/08/86/14/206088614.db2.gz YTLALNPEQCKESW-OLZOCXBDSA-N -1 3 358.360 2.284 50 0 FEAAHM O=C([O-])[C@H](CNC(=O)Cc1ccccc1)N1CCCC[C@@H]1c1cccnc1 ZINC000003999484 206163714 /nfs/dbraw/zinc/16/37/14/206163714.db2.gz KSYSDRSDSATWKN-MOPGFXCFSA-N -1 3 367.449 2.421 50 0 biogenic FEAAHM CCOc1ccc(N2C[C@@H]([N-]S(=O)(=O)c3cccs3)CC2=O)cc1 ZINC000004497752 206178155 /nfs/dbraw/zinc/17/81/55/206178155.db2.gz OXCSHVXOMWWYCR-LBPRGKRZSA-N -1 3 366.464 2.231 50 0 FEAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000004893700 206184103 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O=S(=O)([N-]CCCN1CCO[C@@H](c2ccccc2)C1)c1cccs1 ZINC000036700215 207287194 /nfs/dbraw/zinc/28/71/94/207287194.db2.gz KGMDPYBILAFNNQ-MRXNPFEDSA-N -1 3 366.508 2.490 50 0 FEAAHM Cc1cnc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000010627614 207303276 /nfs/dbraw/zinc/30/32/76/207303276.db2.gz KJNILJAZMHNMID-UHFFFAOYSA-N -1 3 361.395 2.037 50 0 FEAAHM CSCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000077099804 208197091 /nfs/dbraw/zinc/19/70/91/208197091.db2.gz KYSIYNSZTLSYCA-JTQLQIEISA-N -1 3 374.347 2.293 50 0 FEAAHM CC1(C)Oc2ccc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)cc2O1 ZINC000047285529 208376667 /nfs/dbraw/zinc/37/66/67/208376667.db2.gz RZDOCIYXVRGKHA-UHFFFAOYSA-N -1 3 367.361 2.248 50 0 FEAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000072477675 208873875 /nfs/dbraw/zinc/87/38/75/208873875.db2.gz BRMLIAVEXZKLJP-UHFFFAOYSA-N -1 3 355.398 2.251 50 0 FEAAHM CSc1cccc([C@@H](C(=O)[O-])N2CCN(C3CCN(C)CC3)CC2)c1 ZINC000095361334 209028260 /nfs/dbraw/zinc/02/82/60/209028260.db2.gz 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CC(C)C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)N1CCCCC1=O ZINC000120815446 543684889 /nfs/dbraw/zinc/68/48/89/543684889.db2.gz YCFDYFUBINTXCI-MRXNPFEDSA-N -1 3 370.457 2.156 50 0 FEAAHM CCOC(=O)C[C@@H](c1ccc(F)cc1F)c1oc(CO)cc(=O)c1[O-] ZINC000085412456 520851189 /nfs/dbraw/zinc/85/11/89/520851189.db2.gz SMPGJPXBFGUWLT-LBPRGKRZSA-N -1 3 354.305 2.201 50 0 FEAAHM CCc1c(C(=O)[N-]c2nc(CC(C)=O)ns2)nnn1-c1ccc(C)cc1 ZINC000019812230 523705773 /nfs/dbraw/zinc/70/57/73/523705773.db2.gz SJCXQECLORLCOF-UHFFFAOYSA-N -1 3 370.438 2.373 50 0 FEAAHM Cc1ccc(SC2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)cc1 ZINC000091319829 525643347 /nfs/dbraw/zinc/64/33/47/525643347.db2.gz BNOYTIIYNNVIKQ-OAHLLOKOSA-N -1 3 361.467 2.066 50 0 FEAAHM O=c1cc(C(F)(F)F)nc(CS(=O)(=O)Cc2ccc(F)cc2)[n-]1 ZINC000155977879 545588833 /nfs/dbraw/zinc/58/88/33/545588833.db2.gz NAQHOFXZJAGXLW-UHFFFAOYSA-N -1 3 350.293 2.455 50 0 FEAAHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000172369658 546249631 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50 0 FEAAHM Cc1nc(C2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc(=O)[n-]1 ZINC000426555526 559737768 /nfs/dbraw/zinc/73/77/68/559737768.db2.gz MJESZEIEGJLDPC-MRXNPFEDSA-N -1 3 353.422 2.448 50 0 FEAAHM CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000046075568 570924146 /nfs/dbraw/zinc/92/41/46/570924146.db2.gz WGCGUCMKKIYIBL-NSHDSACASA-N -1 3 358.423 2.173 50 0 FEAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCN(Cc2cccs2)C1 ZINC000670443339 571349321 /nfs/dbraw/zinc/34/93/21/571349321.db2.gz MRPBQGLKGUOXMK-CYBMUJFWSA-N -1 3 355.485 2.296 50 0 FEAAHM Cc1cc(C(F)(F)F)nn1CC(=O)N1NC(C)=C[C@@]1([O-])C(F)(F)F ZINC000000655707 539332324 /nfs/dbraw/zinc/33/23/24/539332324.db2.gz XJPRQXIEPYBTCJ-SNVBAGLBSA-N -1 3 358.242 2.069 50 0 FEAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1-n1cnnn1 ZINC000001423894 539341787 /nfs/dbraw/zinc/34/17/87/539341787.db2.gz JVKWOIORUQFIFA-UHFFFAOYSA-N -1 3 359.411 2.089 50 0 FEAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2ccco2)cc1)C(F)(F)F ZINC000002311520 539346903 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CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000017074307 539639358 /nfs/dbraw/zinc/63/93/58/539639358.db2.gz ICTBVMOFKUGCRP-CHWSQXEVSA-N -1 3 360.501 2.400 50 0 FEAAHM O=S(=O)([O-])CCCN1CCN(Cc2csc3ccccc23)CC1 ZINC000022803676 539699662 /nfs/dbraw/zinc/69/96/62/539699662.db2.gz BPQAJLZYTINFJJ-UHFFFAOYSA-N -1 3 354.497 2.297 50 0 FEAAHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000023653059 539718355 /nfs/dbraw/zinc/71/83/55/539718355.db2.gz VJIBGQVBCQKNBN-UHFFFAOYSA-N -1 3 367.298 2.383 50 0 FEAAHM O=C(Nc1ccccc1[O-])c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000024748386 539740008 /nfs/dbraw/zinc/74/00/08/539740008.db2.gz IZVDNOYTPRSKCH-UHFFFAOYSA-N -1 3 351.362 2.280 50 0 FEAAHM Cn1ccnc1[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(F)c1 ZINC000032613477 539945496 /nfs/dbraw/zinc/94/54/96/539945496.db2.gz DHHXTNCTBACDTM-MRXNPFEDSA-N -1 3 350.357 2.350 50 0 FEAAHM Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)[n-]c(=O)c2[nH]1 ZINC000057521161 540800561 /nfs/dbraw/zinc/80/05/61/540800561.db2.gz 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Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000067743789 541507938 /nfs/dbraw/zinc/50/79/38/541507938.db2.gz VFCTVIZCAUPSQY-GFCCVEGCSA-N -1 3 361.829 2.120 50 0 FEAAHM CCCC1(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CCC1 ZINC000067821722 541517418 /nfs/dbraw/zinc/51/74/18/541517418.db2.gz RFYYEFJJMLSBLK-UHFFFAOYSA-N -1 3 372.512 2.341 50 0 FEAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(CCOc1cccc(C)c1C)CC2 ZINC000072131788 541785139 /nfs/dbraw/zinc/78/51/39/541785139.db2.gz SCVRBYBSVDHIOM-GOSISDBHSA-N -1 3 374.481 2.470 50 0 FEAAHM Cc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[n-]1 ZINC000072272907 541796645 /nfs/dbraw/zinc/79/66/45/541796645.db2.gz HDJVYFBPRGJYBE-WMZOPIPTSA-N -1 3 359.401 2.105 50 0 FEAAHM Cc1ccc(CN2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2=O)cc1 ZINC000072462748 541816770 /nfs/dbraw/zinc/81/67/70/541816770.db2.gz WOTXJVCMVDAYQD-UHFFFAOYSA-N -1 3 356.397 2.253 50 0 FEAAHM CCOc1ccc(-c2ccnc(N3CC[C@@H](N(C)C)C3)n2)cc1C(=O)[O-] ZINC000072453617 541815595 /nfs/dbraw/zinc/81/55/95/541815595.db2.gz MQXJBVVAMDGWIL-CQSZACIVSA-N -1 3 356.426 2.381 50 0 FEAAHM O=C1[C@H]([N-]S(=O)(=O)c2ccccc2F)CCN1c1ccc(F)cc1 ZINC000075523963 542184396 /nfs/dbraw/zinc/18/43/96/542184396.db2.gz YEQJQABXWVJCII-CQSZACIVSA-N -1 3 352.362 2.049 50 0 FEAAHM Cn1c(CN([O-])S(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F ZINC000001387352 206879011 /nfs/dbraw/zinc/87/90/11/206879011.db2.gz IBZTUFLYVCZUCA-UHFFFAOYSA-N -1 3 370.740 2.067 50 0 FEAAHM CCc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000003665248 206990037 /nfs/dbraw/zinc/99/00/37/206990037.db2.gz HJSFCSZMLBTTAC-UHFFFAOYSA-N -1 3 374.422 2.092 50 0 FEAAHM CC(C)OCCCNC(=O)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000004435557 207019539 /nfs/dbraw/zinc/01/95/39/207019539.db2.gz MOYBCJQGZWWOBL-SFHVURJKSA-N -1 3 356.422 2.204 50 0 FEAAHM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 ZINC000005314598 207093500 /nfs/dbraw/zinc/09/35/00/207093500.db2.gz QUEZJLFNRXKEGF-UHFFFAOYSA-N -1 3 352.437 2.027 50 0 FEAAHM 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CC(=O)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1[O-] ZINC000426523707 559736819 /nfs/dbraw/zinc/73/68/19/559736819.db2.gz SCRLVUGVCRLVMP-UHFFFAOYSA-N -1 3 368.433 2.324 50 0 FEAAHM Cc1ccc(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])cc1 ZINC000047277543 570884628 /nfs/dbraw/zinc/88/46/28/570884628.db2.gz XWXLGPCSAJSNRC-UHFFFAOYSA-N -1 3 360.435 2.422 50 0 FEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000046073907 570923455 /nfs/dbraw/zinc/92/34/55/570923455.db2.gz RCMKAIRBYHFSSD-JTQLQIEISA-N -1 3 362.386 2.086 50 0 FEAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000046073855 570923729 /nfs/dbraw/zinc/92/37/29/570923729.db2.gz STZZFDTYXQXMMK-NSHDSACASA-N -1 3 358.423 2.255 50 0 FEAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1 ZINC000046073787 570923786 /nfs/dbraw/zinc/92/37/86/570923786.db2.gz QXTYDBSGFQRBBD-LLVKDONJSA-N -1 3 358.423 2.119 50 0 FEAAHM COc1ccccc1-c1cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[nH]n1 ZINC000426429126 571224410 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FEAAHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCO2 ZINC000008723781 539490470 /nfs/dbraw/zinc/49/04/70/539490470.db2.gz YLCLOXBWULQPJG-LLVKDONJSA-N -1 3 351.366 2.129 50 0 FEAAHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000008723781 539490472 /nfs/dbraw/zinc/49/04/72/539490472.db2.gz YLCLOXBWULQPJG-LLVKDONJSA-N -1 3 351.366 2.129 50 0 FEAAHM CC(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccno3)o2)cc1 ZINC000012234577 539551455 /nfs/dbraw/zinc/55/14/55/539551455.db2.gz CEFWKNKAEZMLHR-UHFFFAOYSA-N -1 3 362.367 2.159 50 0 FEAAHM CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c1nc[n-]c2=O ZINC000012413713 539557964 /nfs/dbraw/zinc/55/79/64/539557964.db2.gz WEVHUPUBLDYPTK-UHFFFAOYSA-N -1 3 357.439 2.487 50 0 biogenic,in-vitro FEAAHM CC(=O)[C@@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000012377543 539557265 /nfs/dbraw/zinc/55/72/65/539557265.db2.gz RBFZONRYEOTPMK-BREBYQMCSA-N -1 3 368.258 2.098 50 0 FEAAHM O=C(CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)NC1CCCC1 ZINC000012377127 539557426 /nfs/dbraw/zinc/55/74/26/539557426.db2.gz VWMLCJAKAZDJBE-UHFFFAOYSA-N -1 3 369.450 2.260 50 0 biogenic,in-vitro FEAAHM O=C([O-])c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000013315596 539585704 /nfs/dbraw/zinc/58/57/04/539585704.db2.gz ILBLEGGUHZIGIE-UHFFFAOYSA-N -1 3 374.462 2.459 50 0 FEAAHM COc1cccc(N2CCN(c3c([O-])c4ccccc4n3C(C)=O)CC2)c1 ZINC000020579762 539675651 /nfs/dbraw/zinc/67/56/51/539675651.db2.gz SJVZKBFHPIIXHW-NRFANRHFSA-N -1 3 365.433 2.393 50 0 FEAAHM O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000023102772 539706257 /nfs/dbraw/zinc/70/62/57/539706257.db2.gz MNTHQFCCDOGDJE-UHFFFAOYSA-N -1 3 355.442 2.213 50 0 FEAAHM Cc1nc([C@H]2CCCN(c3nc(N(C)C)nc4c3CCCC4)C2)cc(=O)[n-]1 ZINC000023620179 539717430 /nfs/dbraw/zinc/71/74/30/539717430.db2.gz PFSYSQGPSLMKTA-AWEZNQCLSA-N -1 3 368.485 2.197 50 0 FEAAHM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccco1 ZINC000024442940 539731551 /nfs/dbraw/zinc/73/15/51/539731551.db2.gz ZBNNZTHEASUYGF-UHFFFAOYSA-N -1 3 363.222 2.295 50 0 FEAAHM COc1cc(C)ccc1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1 ZINC000027943947 539820498 /nfs/dbraw/zinc/82/04/98/539820498.db2.gz VMNPLSMJHDYARH-UHFFFAOYSA-N -1 3 364.423 2.335 50 0 FEAAHM CCn1c(=O)[n-]c(=O)c2cc(C(=O)Oc3ccc(Cl)cc3C)cnc21 ZINC000032767459 539951828 /nfs/dbraw/zinc/95/18/28/539951828.db2.gz FAEYTEQPXDBQPV-UHFFFAOYSA-N -1 3 359.769 2.286 50 0 FEAAHM CC(=O)c1ccccc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000032738049 539950171 /nfs/dbraw/zinc/95/01/71/539950171.db2.gz XULNHZRSODTRSF-UHFFFAOYSA-N -1 3 351.362 2.334 50 0 FEAAHM C[C@]1(c2cccc(NC(=O)COc3ccccc3Cl)c2)NC(=O)[N-]C1=O ZINC000040110920 540006373 /nfs/dbraw/zinc/00/63/73/540006373.db2.gz XGMLQVOSTVMHTI-GOSISDBHSA-N -1 3 373.796 2.412 50 0 FEAAHM Cc1ccc(F)c(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000042105962 540051131 /nfs/dbraw/zinc/05/11/31/540051131.db2.gz YVZBMZUKRLSZSR-UHFFFAOYSA-N -1 3 353.353 2.344 50 0 FEAAHM C[C@H]([N-]S(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(F)c1 ZINC000058154417 540829675 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Cc1cc(C)n(-c2ccc(F)cc2-c2cn([C@H](C)c3nnn[n-]3)nn2)n1 ZINC000091708119 542821169 /nfs/dbraw/zinc/82/11/69/542821169.db2.gz GZWQORWFJOOJMC-LLVKDONJSA-N -1 3 353.365 2.009 50 0 FEAAHM Cc1cc(C)n(-c2ccc(F)cc2-c2cn([C@H](C)c3nn[n-]n3)nn2)n1 ZINC000091708119 542821173 /nfs/dbraw/zinc/82/11/73/542821173.db2.gz GZWQORWFJOOJMC-LLVKDONJSA-N -1 3 353.365 2.009 50 0 FEAAHM CCc1nc(C)c(CC(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c(=O)[n-]1 ZINC000095371143 542962997 /nfs/dbraw/zinc/96/29/97/542962997.db2.gz MJJFXIXLDJACIY-OAHLLOKOSA-N -1 3 371.485 2.367 50 0 FEAAHM O=C([O-])[C@H](c1ccc2c(c1)OCO2)N1CCCN(Cc2ccccn2)CC1 ZINC000095379902 542965336 /nfs/dbraw/zinc/96/53/36/542965336.db2.gz VYCORHOMAKUAOG-IBGZPJMESA-N -1 3 369.421 2.144 50 0 FEAAHM Cc1ccc(Cl)c([C@H](C(=O)[O-])N2CCN(C3CCN(C)CC3)CC2)c1 ZINC000095389132 542967016 /nfs/dbraw/zinc/96/70/16/542967016.db2.gz NTPMSESWTSMIGN-GOSISDBHSA-N -1 3 365.905 2.486 50 0 FEAAHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(O)(c3cccnc3)CC2)c1 ZINC000095389215 542967432 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O=C([O-])[C@]12CN(Cc3ccccc3Cl)C[C@H]1CN(C(=O)C1CCC1)C2 ZINC000096132013 222036807 /nfs/dbraw/zinc/03/68/07/222036807.db2.gz KKSLMOUTBOLKOE-KXBFYZLASA-N -1 3 362.857 2.485 50 0 FEAAHM O=c1[nH]c([O-])c([C@@H]2NCCc3ccccc32)c(=O)n1CCC1=CCCCC1 ZINC000100930097 222258041 /nfs/dbraw/zinc/25/80/41/222258041.db2.gz HGGURTDNYYZEBZ-GOSISDBHSA-N -1 3 367.449 2.368 50 0 FEAAHM O=c1[nH]c(=O)n(CCC2=CCCCC2)c([O-])c1[C@@H]1NCCc2ccccc21 ZINC000100930097 222258044 /nfs/dbraw/zinc/25/80/44/222258044.db2.gz HGGURTDNYYZEBZ-GOSISDBHSA-N -1 3 367.449 2.368 50 0 FEAAHM COc1cc(C(=O)[N-]c2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)on1 ZINC000153540908 544788398 /nfs/dbraw/zinc/78/83/98/544788398.db2.gz LTTYYPBEOONNQK-GFCCVEGCSA-N -1 3 371.397 2.476 50 0 FEAAHM Cc1noc2nc(C)cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)c12 ZINC000024893519 263387854 /nfs/dbraw/zinc/38/78/54/263387854.db2.gz IYVRPIIAQDPCBP-UHFFFAOYSA-N -1 3 360.395 2.463 50 0 FEAAHM C[C@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1c(F)cccc1F ZINC000275188820 330020047 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