smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000024256424 202114499 /nfs/dbraw/zinc/11/44/99/202114499.db2.gz GMOYDCORBXVFSE-UHFFFAOYSA-N -1 1 333.409 3.145 40 0 EGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000028249131 202168166 /nfs/dbraw/zinc/16/81/66/202168166.db2.gz XOGJUOPBWMWLOA-UHFFFAOYSA-N -1 1 333.409 3.199 40 0 EGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c3ncccc23)cc1 ZINC000129614549 205203692 /nfs/dbraw/zinc/20/36/92/205203692.db2.gz AYJWPKHMCMAUGC-UHFFFAOYSA-N -1 1 344.392 3.053 40 0 EGABMM O=C(CSc1nc2ccccc2s1)[N-]C(=O)c1ccccc1 ZINC000000138074 452517821 /nfs/dbraw/zinc/51/78/21/452517821.db2.gz MCOVGDOUXDHEEI-UHFFFAOYSA-N -1 1 328.418 3.345 40 0 EGABMM CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000000581856 452627407 /nfs/dbraw/zinc/62/74/07/452627407.db2.gz PMMLGNZANXKFDW-UHFFFAOYSA-N -1 1 346.452 3.162 40 0 EGABMM COc1ccc(Cl)cc1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000008493045 453209726 /nfs/dbraw/zinc/20/97/26/453209726.db2.gz IHWNJKMULMKSGJ-UHFFFAOYSA-N -1 1 347.831 3.408 40 0 EGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000013613811 453474659 /nfs/dbraw/zinc/47/46/59/453474659.db2.gz SKKGLTGYNDEOBL-UHFFFAOYSA-N -1 1 333.409 3.281 40 0 EGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013676440 453480142 /nfs/dbraw/zinc/48/01/42/453480142.db2.gz OZPUCHXWTMREGE-UHFFFAOYSA-N -1 1 333.409 3.281 40 0 EGABMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[O-])c2ccccc2c1O ZINC000016489727 453609087 /nfs/dbraw/zinc/60/90/87/453609087.db2.gz XBAGHXMYDWUIFB-UHFFFAOYSA-N -1 1 343.360 3.044 40 0 EGABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1C ZINC000064947080 454518132 /nfs/dbraw/zinc/51/81/32/454518132.db2.gz ZBZUUOVVQMYTBS-UHFFFAOYSA-N -1 1 348.449 3.018 40 0 EGABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1C ZINC000223315620 456054742 /nfs/dbraw/zinc/05/47/42/456054742.db2.gz WBXFKHSJGPVADE-UHFFFAOYSA-N -1 1 346.408 3.101 40 0 EGABMM CC[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)[O-] ZINC000224976556 456071067 /nfs/dbraw/zinc/07/10/67/456071067.db2.gz JQRNVRACPDCPPT-VIFPVBQESA-N -1 1 342.218 3.190 40 0 EGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000024257336 202114937 /nfs/dbraw/zinc/11/49/37/202114937.db2.gz NARNOEMLAXLSOO-UHFFFAOYSA-N -1 1 343.763 3.067 40 0 EGABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3cnccc32)cc1 ZINC000028248560 202168087 /nfs/dbraw/zinc/16/80/87/202168087.db2.gz XDWMROBLCWCYJK-UHFFFAOYSA-N -1 1 328.393 3.434 40 0 EGABMM CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2ccc([O-])cc2)c1C ZINC000078602743 202396953 /nfs/dbraw/zinc/39/69/53/202396953.db2.gz BSUWFSMIFJQNPE-UHFFFAOYSA-N -1 1 332.421 3.494 40 0 EGABMM CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc([O-])cc1O2 ZINC000113903617 277181815 /nfs/dbraw/zinc/18/18/15/277181815.db2.gz HUFKEQOIGLJLSW-UHFFFAOYSA-N -1 1 333.384 3.127 40 0 EGABMM O=C([N-]c1nnc(C2=COCCO2)o1)c1cc(Cl)sc1Cl ZINC000004107237 452792975 /nfs/dbraw/zinc/79/29/75/452792975.db2.gz PUEUSRGHMLTHDU-UHFFFAOYSA-N -1 1 348.167 3.035 40 0 EGABMM CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OCC ZINC000006964143 453011792 /nfs/dbraw/zinc/01/17/92/453011792.db2.gz JUENZKWKDCYMBL-ZROIWOOFSA-N -1 1 349.412 3.128 40 0 EGABMM CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OCC ZINC000006964143 453011803 /nfs/dbraw/zinc/01/18/03/453011803.db2.gz JUENZKWKDCYMBL-ZROIWOOFSA-N -1 1 349.412 3.128 40 0 EGABMM Fc1ccccc1COc1ccccc1CNn1cn[n-]c1=S ZINC000007602555 453092255 /nfs/dbraw/zinc/09/22/55/453092255.db2.gz DUNPKCFJSQGGHO-UHFFFAOYSA-N -1 1 330.388 3.402 40 0 EGABMM CCOc1ccc(Br)cc1CNn1c(C)n[n-]c1=S ZINC000008324599 453191118 /nfs/dbraw/zinc/19/11/18/453191118.db2.gz CAMKXNQPUNHINX-UHFFFAOYSA-N -1 1 343.250 3.154 40 0 EGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Cl)cc2)s1 ZINC000009390301 453253798 /nfs/dbraw/zinc/25/37/98/453253798.db2.gz BNBJJQNQLNBSPF-GFCCVEGCSA-N -1 1 339.848 3.008 40 0 EGABMM C[C@@H](c1c([O-])[nH]c2ccccc2c1=O)[C@]1(C)CC[C@@H](O)C(C)(C)O1 ZINC000018188925 453646720 /nfs/dbraw/zinc/64/67/20/453646720.db2.gz FNNBYKQCHDQXOO-SZEPBZDZSA-N -1 1 331.412 3.046 40 0 EGABMM C[C@@H](c1c([O-])c2ccccc2[nH]c1=O)[C@]1(C)CC[C@@H](O)C(C)(C)O1 ZINC000018188925 453646721 /nfs/dbraw/zinc/64/67/21/453646721.db2.gz FNNBYKQCHDQXOO-SZEPBZDZSA-N -1 1 331.412 3.046 40 0 EGABMM CC(C)n1c(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[n-]c1=S ZINC000078542911 454273047 /nfs/dbraw/zinc/27/30/47/454273047.db2.gz GOMJPVJWNOSSTM-ZIAGYGMSSA-N -1 1 348.447 3.123 40 0 EGABMM CC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ncc(C)s1 ZINC000096446799 454354266 /nfs/dbraw/zinc/35/42/66/454354266.db2.gz DWHMCCLKCUEPSM-NSHDSACASA-N -1 1 348.472 3.022 40 0 EGABMM O=C1[N-]C(=S)NC1=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000105639312 454648386 /nfs/dbraw/zinc/64/83/86/454648386.db2.gz XRTHKMGWRIGYJB-OQLLNIDSSA-N -1 1 344.823 3.264 40 0 EGABMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1F ZINC000252536890 455820168 /nfs/dbraw/zinc/82/01/68/455820168.db2.gz JSJAVDIJOVTBRC-UHFFFAOYSA-N -1 1 333.743 3.428 40 0 EGABMM COc1ccc(C)cc1NC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000408803617 457589076 /nfs/dbraw/zinc/58/90/76/457589076.db2.gz RHPOJJUTLOCKIU-UHFFFAOYSA-N -1 1 325.320 3.068 40 0 EGABMM O=C([O-])[C@H]1CN[C@@H](c2ccc(OCc3cccc(F)c3)cc2)S1 ZINC000408975938 457591293 /nfs/dbraw/zinc/59/12/93/457591293.db2.gz DBRPUPBATBSCOG-HZPDHXFCSA-N -1 1 333.384 3.193 40 0 EGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1C ZINC000028249790 202167827 /nfs/dbraw/zinc/16/78/27/202167827.db2.gz NFBLCJADIOZPTE-UHFFFAOYSA-N -1 1 337.372 3.030 40 0 EGABMM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000076992982 202390458 /nfs/dbraw/zinc/39/04/58/202390458.db2.gz RCCFEGIHQWDRKI-CABCVRRESA-N -1 1 344.484 3.063 40 0 EGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000028197200 292010559 /nfs/dbraw/zinc/01/05/59/292010559.db2.gz NWTIDUULMGMFIO-UHFFFAOYSA-N -1 1 333.409 3.199 40 0 EGABMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c2cccnc12 ZINC000129606238 277916755 /nfs/dbraw/zinc/91/67/55/277916755.db2.gz VVHITNNUEINKHS-UHFFFAOYSA-N -1 1 328.393 3.353 40 0 EGABMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000007052186 453023127 /nfs/dbraw/zinc/02/31/27/453023127.db2.gz KVFWPPSEZYUVTG-UHFFFAOYSA-N -1 1 333.409 3.281 40 0 EGABMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007405640 453071904 /nfs/dbraw/zinc/07/19/04/453071904.db2.gz RBVSDRDITXLQFL-UHFFFAOYSA-N -1 1 337.372 3.096 40 0 EGABMM CCOc1ccccc1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000008325617 453191904 /nfs/dbraw/zinc/19/19/04/453191904.db2.gz VXIRTEBKZXOFPU-UHFFFAOYSA-N -1 1 327.413 3.145 40 0 EGABMM COc1ccc(-c2nc([N-]C(=O)c3cc(C(C)(C)C)on3)n[nH]2)cc1 ZINC000096435981 454347460 /nfs/dbraw/zinc/34/74/60/454347460.db2.gz PIWCBCFUFFWXHS-UHFFFAOYSA-N -1 1 341.371 3.018 40 0 EGABMM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1ccc2c(c1)CCC2 ZINC000135947811 454711130 /nfs/dbraw/zinc/71/11/30/454711130.db2.gz TVMVOJASOLWEEB-UHFFFAOYSA-N -1 1 341.392 3.026 40 0 EGABMM Cc1ccc(Sc2ccc(/C=C3/NC(=S)[N-]C3=O)cc2)cc1 ZINC000409246656 457597597 /nfs/dbraw/zinc/59/75/97/457597597.db2.gz KHEJMGLNDWOIQM-XNTDXEJSSA-N -1 1 326.446 3.491 40 0 EGABMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc12 ZINC000022756304 202091294 /nfs/dbraw/zinc/09/12/94/202091294.db2.gz PZJFAOZYGVSLDM-UHFFFAOYSA-N -1 1 344.440 3.201 40 0 EGABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000022513858 212303929 /nfs/dbraw/zinc/30/39/29/212303929.db2.gz VLIPZFLFDBETPL-UHFFFAOYSA-N -1 1 325.773 3.147 40 0 EGABMM COc1ccc(CN2CCC[C@H]2c2cccc(CCC(=O)[O-])n2)cc1 ZINC000072367197 203207984 /nfs/dbraw/zinc/20/79/84/203207984.db2.gz WNOYBFZIFNSIQR-IBGZPJMESA-N -1 1 340.423 3.445 40 0 EGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000000562843 206242312 /nfs/dbraw/zinc/24/23/12/206242312.db2.gz GWVKEYWFHUCTDS-UHFFFAOYSA-N -1 1 339.800 3.236 40 0 EGABMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000007056372 453026567 /nfs/dbraw/zinc/02/65/67/453026567.db2.gz ALRFIDPCASWVED-UHFFFAOYSA-N -1 1 333.409 3.281 40 0 EGABMM Fc1ccc(COc2cccc(CNn3cn[n-]c3=S)c2)cc1 ZINC000007602572 453092404 /nfs/dbraw/zinc/09/24/04/453092404.db2.gz BBHJKRHZPWOTPQ-UHFFFAOYSA-N -1 1 330.388 3.402 40 0 EGABMM Cc1ccc2nc(Nc3nc(C(F)(F)F)cc(=O)[n-]3)nc(C)c2c1 ZINC000008020209 453150281 /nfs/dbraw/zinc/15/02/81/453150281.db2.gz PLAFSSTWRFNKSA-UHFFFAOYSA-N -1 1 335.289 3.092 40 0 EGABMM CCCOc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1Cl ZINC000009061843 453242274 /nfs/dbraw/zinc/24/22/74/453242274.db2.gz NKFCPCUQRWSHJB-UHFFFAOYSA-N -1 1 326.805 3.325 40 0 EGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000010315286 453286547 /nfs/dbraw/zinc/28/65/47/453286547.db2.gz SDLJCCDUCCULJO-UHFFFAOYSA-N -1 1 346.452 3.182 40 0 EGABMM Cc1cc(C)cc(OCCN(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000013163992 453450886 /nfs/dbraw/zinc/45/08/86/453450886.db2.gz AZAKORXUYHZXSR-UHFFFAOYSA-N -1 1 343.452 3.112 40 0 EGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1C ZINC000031720081 453852512 /nfs/dbraw/zinc/85/25/12/453852512.db2.gz HTDOYZZHSHAVAR-UHFFFAOYSA-N -1 1 346.408 3.061 40 0 EGABMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1occc1Br ZINC000081733130 453906810 /nfs/dbraw/zinc/90/68/10/453906810.db2.gz LORKFWBPHRCONX-UHFFFAOYSA-N -1 1 339.174 3.141 40 0 EGABMM O=C(c1ccc([O-])cc1F)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000161660609 454711636 /nfs/dbraw/zinc/71/16/36/454711636.db2.gz PJBZTCYLGRCNPI-SFHVURJKSA-N -1 1 329.371 3.117 40 0 EGABMM CC[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)[O-] ZINC000224975683 456070967 /nfs/dbraw/zinc/07/09/67/456070967.db2.gz FZKKSLZIFUIACG-VIFPVBQESA-N -1 1 342.218 3.190 40 0 EGABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000019936431 202028161 /nfs/dbraw/zinc/02/81/61/202028161.db2.gz CBYZOILPVGGWLY-UHFFFAOYSA-N -1 1 346.408 3.047 40 0 EGABMM COC(=O)Nc1nc2cc(-c3c(C)oc(C)c3C(=O)[O-])ccc2[nH]1 ZINC000001608103 452669347 /nfs/dbraw/zinc/66/93/47/452669347.db2.gz PDKJDVUBLYOXCR-UHFFFAOYSA-N -1 1 329.312 3.316 40 0 EGABMM CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000015338817 453568874 /nfs/dbraw/zinc/56/88/74/453568874.db2.gz KODTZUUFLWVMEE-CQSZACIVSA-N -1 1 346.452 3.324 40 0 EGABMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000081802485 453910890 /nfs/dbraw/zinc/91/08/90/453910890.db2.gz QOBRUQLFFPWRPD-UHFFFAOYSA-N -1 1 349.843 3.064 40 0 EGABMM CC(C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000045573587 454167618 /nfs/dbraw/zinc/16/76/18/454167618.db2.gz FSHSDSIUMQFJLP-AWEZNQCLSA-N -1 1 346.452 3.262 40 0 EGABMM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223921264 456062333 /nfs/dbraw/zinc/06/23/33/456062333.db2.gz DIGULLUQGVBJRJ-UHFFFAOYSA-N -1 1 346.452 3.407 40 0 EGABMM Fc1ccc(COc2ccc(Cl)cc2CNc2nn[n-]n2)cc1 ZINC000022112284 1442275567 /nfs/dbraw/zinc/27/55/67/1442275567.db2.gz BHVJRNOVUJOADT-UHFFFAOYSA-N -1 1 333.754 3.183 40 0 EGABMM O=C(c1ccccc1)N1CCC2(CC1)CC(=O)c1ccc([O-])cc1O2 ZINC000225819312 242053491 /nfs/dbraw/zinc/05/34/91/242053491.db2.gz FCTDKTCFQLKLDV-UHFFFAOYSA-N -1 1 337.375 3.032 40 0 EGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000156741219 206096733 /nfs/dbraw/zinc/09/67/33/206096733.db2.gz UTLKGKXRLJVWNV-UHFFFAOYSA-N -1 1 339.800 3.236 40 0 EGABMM CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314705 211162355 /nfs/dbraw/zinc/16/23/55/211162355.db2.gz QDFSDCNCCYHHGZ-CYBMUJFWSA-N -1 1 332.425 3.016 40 0 EGABMM CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000000571887 452625535 /nfs/dbraw/zinc/62/55/35/452625535.db2.gz MPQYDCQXYSNIPU-UHFFFAOYSA-N -1 1 346.452 3.278 40 0 EGABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000004944217 452828326 /nfs/dbraw/zinc/82/83/26/452828326.db2.gz VNTSEJPDHYYPRQ-VIFPVBQESA-N -1 1 335.816 3.009 40 0 EGABMM CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000006958902 453012408 /nfs/dbraw/zinc/01/24/08/453012408.db2.gz UUYLBDYNQMMTOV-UWVGGRQHSA-N -1 1 329.849 3.229 40 0 EGABMM Fc1ccccc1COc1cccc(CNn2cn[n-]c2=S)c1 ZINC000007602575 453091733 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ZEMBYWRERGHXIQ-AWEZNQCLSA-N -1 1 346.452 3.406 40 0 EGABMM CC(C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314461 453285885 /nfs/dbraw/zinc/28/58/85/453285885.db2.gz IJGSGPCSQHSYCN-UHFFFAOYSA-N -1 1 346.452 3.263 40 0 EGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000024257013 453729514 /nfs/dbraw/zinc/72/95/14/453729514.db2.gz WXJXYPYHJJPRHA-UHFFFAOYSA-N -1 1 333.409 3.397 40 0 EGABMM N=C1SC(=Cc2ccc(C(=O)[O-])cc2)C(O)=C1c1nccs1 ZINC000136337232 454736848 /nfs/dbraw/zinc/73/68/48/454736848.db2.gz LZSNLZBGGKYETD-AAZDMDIYSA-N -1 1 330.390 3.259 40 0 EGABMM O=C1N/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000409207763 457595918 /nfs/dbraw/zinc/59/59/18/457595918.db2.gz ZNVDNFOCQDBGQT-NTEUORMPSA-N -1 1 328.755 3.139 40 0 EGABMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000004944215 283459638 /nfs/dbraw/zinc/45/96/38/283459638.db2.gz NSGVOOREVFKIMZ-JTQLQIEISA-N -1 1 349.843 3.400 40 0 EGABMM Cc1csc([N-]c2nccnc2[C@H]2CCCN2C(=O)C(C)C)n1 ZINC000072384716 216185126 /nfs/dbraw/zinc/18/51/26/216185126.db2.gz FZGJWAPCEKDXPE-GFCCVEGCSA-N -1 1 331.445 3.305 40 0 EGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022522499 212304951 /nfs/dbraw/zinc/30/49/51/212304951.db2.gz SJZQHIQMBWPMMZ-UHFFFAOYSA-N -1 1 339.800 3.318 40 0 EGABMM O=C(Nc1ccccc1Cl)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937220 212087239 /nfs/dbraw/zinc/08/72/39/212087239.db2.gz YXURMCDJDJRUFM-UHFFFAOYSA-N -1 1 325.755 3.343 40 0 EGABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCCCC1 ZINC000012525906 211399023 /nfs/dbraw/zinc/39/90/23/211399023.db2.gz HJGYRSPPLDOPFA-UHFFFAOYSA-N -1 1 344.436 3.114 40 0 EGABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)c1 ZINC000012521011 211397255 /nfs/dbraw/zinc/39/72/55/211397255.db2.gz HPLBMUDQYFIKFO-UHFFFAOYSA-N -1 1 344.436 3.032 40 0 EGABMM CCOC(=O)c1oc2cc(C)cc([O-])c2c(=O)c1-c1cscn1 ZINC000005905673 452909275 /nfs/dbraw/zinc/90/92/75/452909275.db2.gz AVKSBMOKZPDESU-UHFFFAOYSA-N -1 1 331.349 3.107 40 0 biogenic EGABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC000017301102 453633037 /nfs/dbraw/zinc/63/30/37/453633037.db2.gz CHPREXIUMINAFG-UHFFFAOYSA-N -1 1 346.452 3.242 40 0 EGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1C ZINC000075081335 453858395 /nfs/dbraw/zinc/85/83/95/453858395.db2.gz MLVUCJGRPXGAGX-UHFFFAOYSA-N -1 1 333.409 3.199 40 0 EGABMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C2CC2)n1 ZINC000096428403 454340475 /nfs/dbraw/zinc/34/04/75/454340475.db2.gz FNKCOMCZAYMVTP-CYBMUJFWSA-N -1 1 344.408 3.159 40 0 EGABMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC2(CC2)c2ccccc21 ZINC000096446817 454354090 /nfs/dbraw/zinc/35/40/90/454354090.db2.gz VGEZSZSAYMJASQ-UHFFFAOYSA-N -1 1 337.423 3.068 40 0 EGABMM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1ccc([O-])cc1F ZINC000192662297 455664397 /nfs/dbraw/zinc/66/43/97/455664397.db2.gz IOULDSNDERYMRC-UHFFFAOYSA-N -1 1 333.334 3.106 40 0 EGABMM O=C(c1c(F)ccc([O-])c1F)N1CC=C(c2ccc(O)cc2)CC1 ZINC000252492580 455813655 /nfs/dbraw/zinc/81/36/55/455813655.db2.gz MPQSZWGEJYMZBZ-UHFFFAOYSA-N -1 1 331.318 3.306 40 0 EGABMM O=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937353 212087940 /nfs/dbraw/zinc/08/79/40/212087940.db2.gz BNGXJJJJCOOSDA-UHFFFAOYSA-N -1 1 345.280 3.107 40 0 EGABMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 ZINC000078404001 217049009 /nfs/dbraw/zinc/04/90/09/217049009.db2.gz RLWLHOVRFQAZSW-GFCCVEGCSA-N -1 1 332.425 3.161 40 0 EGABMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 ZINC000078403999 217048578 /nfs/dbraw/zinc/04/85/78/217048578.db2.gz RLWLHOVRFQAZSW-LBPRGKRZSA-N -1 1 332.425 3.161 40 0 EGABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2sc1=O ZINC000225702162 276082281 /nfs/dbraw/zinc/08/22/81/276082281.db2.gz NPKNARLJSJWSLP-UHFFFAOYSA-N -1 1 348.449 3.445 40 0 EGABMM O=C(NCc1cc(Cl)cc2c1OCC2)c1c(F)ccc([O-])c1F ZINC000240900742 455265847 /nfs/dbraw/zinc/26/58/47/455265847.db2.gz ITNOBBVMBXHWOU-UHFFFAOYSA-N -1 1 339.725 3.189 40 0 EGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000000582482 452628090 /nfs/dbraw/zinc/62/80/90/452628090.db2.gz SHYKSHBGDXGIRN-UHFFFAOYSA-N -1 1 333.409 3.199 40 0 EGABMM O=C(c1cncc([O-])c1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000013265999 453456330 /nfs/dbraw/zinc/45/63/30/453456330.db2.gz RIBKRTZLTGHDOT-FUCXHRTASA-N -1 1 326.371 3.477 40 0 EGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000024256569 453729974 /nfs/dbraw/zinc/72/99/74/453729974.db2.gz FAXJCSVMKDNXHT-UHFFFAOYSA-N -1 1 339.800 3.236 40 0 EGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1C ZINC000225603333 456097117 /nfs/dbraw/zinc/09/71/17/456097117.db2.gz UKKUXYQXHBEBLZ-UHFFFAOYSA-N -1 1 337.372 3.030 40 0 EGABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OC ZINC000008253695 453181883 /nfs/dbraw/zinc/18/18/83/453181883.db2.gz QOEUFDYMDYYDPR-UHFFFAOYSA-N -1 1 328.825 3.054 40 0 EGABMM CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000015338856 453568640 /nfs/dbraw/zinc/56/86/40/453568640.db2.gz PFJRPSIPWYGMCL-AWEZNQCLSA-N -1 1 346.452 3.324 40 0 EGABMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc12 ZINC000058626002 454222082 /nfs/dbraw/zinc/22/20/82/454222082.db2.gz ICJBMJZDNNTOMI-UHFFFAOYSA-N -1 1 344.440 3.003 40 0 EGABMM CN(C(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1)C1CCCCC1 ZINC000096865482 454382337 /nfs/dbraw/zinc/38/23/37/454382337.db2.gz CCSHYPADVVFJPH-RVDMUPIBSA-N -1 1 344.436 3.415 40 0 EGABMM Cc1c(=O)[n-]c(SCCCc2cnn(C)c2)nc1-c1ccccc1 ZINC000097094692 454404794 /nfs/dbraw/zinc/40/47/94/454404794.db2.gz VNYSYFBANCVANO-UHFFFAOYSA-N -1 1 340.452 3.204 40 0 EGABMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)N(C)C(C)C ZINC000195342707 455946523 /nfs/dbraw/zinc/94/65/23/455946523.db2.gz JHUJBYCJTYGAPU-UHFFFAOYSA-N -1 1 346.452 3.276 40 0 EGABMM O=C([O-])CCCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000224977383 456070545 /nfs/dbraw/zinc/07/05/45/456070545.db2.gz LYISMEIVQVXCBX-UHFFFAOYSA-N -1 1 342.218 3.191 40 0 EGABMM O=S(=O)([N-]c1ccccc1Br)c1ccc(F)s1 ZINC000225389318 456078135 /nfs/dbraw/zinc/07/81/35/456078135.db2.gz PQTWEYLLZWBSPW-UHFFFAOYSA-N -1 1 336.207 3.451 40 0 EGABMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000341941922 457016400 /nfs/dbraw/zinc/01/64/00/457016400.db2.gz IKVULNZWJWUCBC-UHFFFAOYSA-N -1 1 346.364 3.082 40 0 EGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1C ZINC000408605774 457583879 /nfs/dbraw/zinc/58/38/79/457583879.db2.gz NLACEHNFTUGVIJ-UHFFFAOYSA-N -1 1 346.452 3.162 40 0 EGABMM Cc1csc([N-]c2nccnc2[C@@H]2CCCN2C(=O)C(C)C)n1 ZINC000072384715 216185123 /nfs/dbraw/zinc/18/51/23/216185123.db2.gz FZGJWAPCEKDXPE-LBPRGKRZSA-N -1 1 331.445 3.305 40 0 EGABMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2ccc(CO)o2)cc1 ZINC000216779280 241211026 /nfs/dbraw/zinc/21/10/26/241211026.db2.gz OMXJTXLWBLPEIK-UHFFFAOYSA-N -1 1 347.367 3.379 40 0 EGABMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 ZINC000078403981 217048968 /nfs/dbraw/zinc/04/89/68/217048968.db2.gz OUBGBEMVIYUQFC-GFCCVEGCSA-N -1 1 332.425 3.243 40 0 EGABMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000009683001 211114073 /nfs/dbraw/zinc/11/40/73/211114073.db2.gz NKVHFEHSMXKIHV-UHFFFAOYSA-N -1 1 346.452 3.244 40 0 EGABMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1 ZINC000009467151 285045022 /nfs/dbraw/zinc/04/50/22/285045022.db2.gz DJJNRACWVLUVFC-UHFFFAOYSA-N -1 1 341.314 3.383 40 0 EGABMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000007418526 453074881 /nfs/dbraw/zinc/07/48/81/453074881.db2.gz UEAMMYLZOKCFNW-UHFFFAOYSA-N -1 1 331.315 3.222 40 0 EGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1 ZINC000008109913 453161905 /nfs/dbraw/zinc/16/19/05/453161905.db2.gz WVUINPYLIITDHI-UHFFFAOYSA-N -1 1 332.381 3.336 40 0 EGABMM CCC(C)(C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000012976295 453432415 /nfs/dbraw/zinc/43/24/15/453432415.db2.gz TZWOWCPDBZCONZ-UHFFFAOYSA-N -1 1 348.472 3.311 40 0 EGABMM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000045774199 454180370 /nfs/dbraw/zinc/18/03/70/454180370.db2.gz GCOFWNNESLIIMO-UHFFFAOYSA-N -1 1 333.800 3.327 40 0 EGABMM Cc1ccc(CS(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c(F)c1 ZINC000194612135 455865034 /nfs/dbraw/zinc/86/50/34/455865034.db2.gz ZUMQZKODXSSUPY-UHFFFAOYSA-N -1 1 337.420 3.457 40 0 EGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1C ZINC000223796017 456060641 /nfs/dbraw/zinc/06/06/41/456060641.db2.gz AGBGBJFVUXVPPP-UHFFFAOYSA-N -1 1 333.409 3.199 40 0 EGABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C ZINC000408610361 457583968 /nfs/dbraw/zinc/58/39/68/457583968.db2.gz TWKCUMARNQUFNB-UHFFFAOYSA-N -1 1 332.425 3.371 40 0 EGABMM CSc1cccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c1 ZINC000019937262 212087327 /nfs/dbraw/zinc/08/73/27/212087327.db2.gz XBZXCUTTZPBMNB-UHFFFAOYSA-N -1 1 337.404 3.411 40 0 EGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000078234494 217032289 /nfs/dbraw/zinc/03/22/89/217032289.db2.gz GIJWNXPMJMZZLM-UHFFFAOYSA-N -1 1 332.425 3.087 40 0 EGABMM Cc1nn(-c2ccccc2)c2sc(-c3nnc([S-])n3C)cc12 ZINC000013535259 274864266 /nfs/dbraw/zinc/86/42/66/274864266.db2.gz JMLJWFDMMNDXPA-UHFFFAOYSA-N -1 1 327.438 3.480 40 0 EGABMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc(C)c2)n1 ZINC000017946343 453640180 /nfs/dbraw/zinc/64/01/80/453640180.db2.gz NRMKPZMMQUFVAB-LBPRGKRZSA-N -1 1 331.441 3.150 40 0 EGABMM O=C([O-])c1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000263583463 456177146 /nfs/dbraw/zinc/17/71/46/456177146.db2.gz ZZODNUQFSINOTB-UHFFFAOYSA-N -1 1 344.842 3.356 40 0 EGABMM O=c1nc(-c2ccccc2)[n-]c2oc(=O)c(-c3ccccc3)c(O)c12 ZINC000104238457 204101785 /nfs/dbraw/zinc/10/17/85/204101785.db2.gz HFLPIVBMCBYORA-UHFFFAOYSA-N -1 1 332.315 3.328 40 0 EGABMM Cc1c(=O)[n-]c(SCC(=O)c2cccn2C)nc1-c1ccccc1 ZINC000097094761 323214766 /nfs/dbraw/zinc/21/47/66/323214766.db2.gz QIZAEUOJCWJMAW-UHFFFAOYSA-N -1 1 339.420 3.471 40 0 EGABMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000004944241 452827265 /nfs/dbraw/zinc/82/72/65/452827265.db2.gz DMLYKAHCCVGNHH-NSHDSACASA-N -1 1 349.843 3.400 40 0 EGABMM CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010336603 453285381 /nfs/dbraw/zinc/28/53/81/453285381.db2.gz JIXXRRUVKDRNCY-ZDUSSCGKSA-N -1 1 346.452 3.324 40 0 EGABMM NC(=O)c1cc(-c2csc(Nc3ccc(F)cc3)n2)ccc1[O-] ZINC000016941440 453624325 /nfs/dbraw/zinc/62/43/25/453624325.db2.gz BCVLNMRQDUORFN-UHFFFAOYSA-N -1 1 329.356 3.497 40 0 EGABMM CC(C)[C@@H](C(=O)NCc1n[n-]c(=S)n1C)c1cccc(Cl)c1 ZINC000096454303 454357804 /nfs/dbraw/zinc/35/78/04/454357804.db2.gz IZJIOBTYUVXUOB-CYBMUJFWSA-N -1 1 338.864 3.187 40 0 EGABMM O=C([O-])C=Cc1ccc(NC(=O)c2n[nH]c(C3CC3)c2Cl)cc1 ZINC000096480401 454364152 /nfs/dbraw/zinc/36/41/52/454364152.db2.gz KSXTXNVVZFVKJW-FPYGCLRLSA-N -1 1 331.759 3.291 40 0 EGABMM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1c(C)noc1C ZINC000187608552 455929539 /nfs/dbraw/zinc/92/95/39/455929539.db2.gz VGSDBKNERYTCFJ-LBPRGKRZSA-N -1 1 340.470 3.443 40 0 EGABMM CC[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)[O-] ZINC000224976515 456071140 /nfs/dbraw/zinc/07/11/40/456071140.db2.gz JQRNVRACPDCPPT-SECBINFHSA-N -1 1 342.218 3.190 40 0 EGABMM 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