smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000006178382 569017540 /nfs/dbraw/zinc/01/75/40/569017540.db2.gz HHEHMQORVMHBJQ-UHFFFAOYSA-N 0 1 417.516 2.453 10 0 HEAEMN CC(C)c1ncc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)s1 ZINC000328602755 569416664 /nfs/dbraw/zinc/41/66/64/569416664.db2.gz CTVSKQYYBZOTFH-CQSZACIVSA-N 0 1 417.535 2.482 10 0 HEAEMN COCCN(C)c1cnn([C@@H]2CCCN(CCOc3cccc(OC)c3)C2)c(=O)c1 ZINC000328608101 569419300 /nfs/dbraw/zinc/41/93/00/569419300.db2.gz XYXSDOISHDSHAJ-GOSISDBHSA-N 0 1 416.522 2.050 10 0 HEAEMN Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1 ZINC000011027538 132347214 /nfs/dbraw/zinc/34/72/14/132347214.db2.gz PAYYDPXUDMZJOE-UHFFFAOYSA-N 0 1 403.552 2.287 10 0 HEAEMN COc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COc2ccccc2)cc1 ZINC000036032111 569081105 /nfs/dbraw/zinc/08/11/05/569081105.db2.gz DLKJYQDWMINWRF-OAQYLSRUSA-N 0 1 400.519 2.269 10 0 HEAEMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC1=C(O)C(=N)O[C@H]1c1ccccc1 ZINC000048552733 569358753 /nfs/dbraw/zinc/35/87/53/569358753.db2.gz MJHXUSPPUOVPNO-INIZCTEOSA-N 0 1 404.404 2.204 10 0 HEAEMN COc1ccc2nccc([C@@H](OC(C)=O)[C@@H]3C[C@@H]4CCN3C[C@]4(O)[C@H](C)O)c2c1 ZINC000077270109 559000135 /nfs/dbraw/zinc/00/01/35/559000135.db2.gz DGPBLFZAYXMSRB-ZKTGKHNDSA-N 0 1 400.475 2.054 10 0 in-vitro HEAEMN COC1(c2nc(-c3ccccn3)no2)CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000570348331 560645682 /nfs/dbraw/zinc/64/56/82/560645682.db2.gz XVPQVJBEAKHXBM-UHFFFAOYSA-N 0 1 418.457 2.277 10 0 HEAEMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC1=C(O)C(=N)O[C@@H]1c1ccccc1 ZINC000048552729 569358839 /nfs/dbraw/zinc/35/88/39/569358839.db2.gz MJHXUSPPUOVPNO-MRXNPFEDSA-N 0 1 404.404 2.204 10 0 HEAEMN CCN1CCN([C@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097827 571314884 /nfs/dbraw/zinc/31/48/84/571314884.db2.gz TXYVEKNLPDTNLT-OAQYLSRUSA-N 0 1 403.498 2.375 10 0 HEAEMN CCN(CCN1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000020539443 521044338 /nfs/dbraw/zinc/04/43/38/521044338.db2.gz XOHQGMLABRTBID-HXUWFJFHSA-N 0 1 424.611 2.164 10 0 HEAEMN COc1ccccc1OCc1cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)[nH]n1 ZINC000012307304 537097711 /nfs/dbraw/zinc/09/77/11/537097711.db2.gz GUNLGRAROOIEBV-UHFFFAOYSA-N 0 1 406.442 2.486 10 0 HEAEMN COc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc(OC)c1OC ZINC000064976582 569139822 /nfs/dbraw/zinc/13/98/22/569139822.db2.gz VIGFKWQKZYNPEI-UHFFFAOYSA-N 0 1 413.839 2.336 10 0 HEAEMN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccc(F)cc2)c(C)c1 ZINC000015864246 571277718 /nfs/dbraw/zinc/27/77/18/571277718.db2.gz OKYAJGOTGPBVGH-UHFFFAOYSA-N 0 1 419.522 2.065 10 0 HEAEMN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCCC2)cc1C ZINC000045974206 525503948 /nfs/dbraw/zinc/50/39/48/525503948.db2.gz LUFVFKHTQYLABA-UHFFFAOYSA-N 0 1 407.580 2.449 10 0 HEAEMN CC[C@H](C)N1CCc2c(c(C(=O)N3CCNC(=O)CC3)nn2CCc2ccccc2)C1 ZINC000014740395 560756780 /nfs/dbraw/zinc/75/67/80/560756780.db2.gz PXSBJJKEEJRTMC-SFHVURJKSA-N 0 1 423.561 2.245 10 0 HEAEMN CCNS(=O)(=O)c1c(F)c(Br)ccc1I ZINC000675072990 569261303 /nfs/dbraw/zinc/26/13/03/569261303.db2.gz GFMOLTOXHAHLFC-UHFFFAOYSA-N 0 1 408.030 2.491 10 0 HEAEMN O=C(c1ccoc1)N1CCc2n[nH]c(C(=O)N3CCN(c4ccccc4)CC3)c2C1 ZINC000034809644 571313774 /nfs/dbraw/zinc/31/37/74/571313774.db2.gz NPCPSYURLNEIPS-UHFFFAOYSA-N 0 1 405.458 2.164 10 0 HEAEMN Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4cncnc4)no3)[C@H](C)C2)c1 ZINC000029043100 568815625 /nfs/dbraw/zinc/81/56/25/568815625.db2.gz ZPDYUPGYNGOZNZ-QGZVFWFLSA-N 0 1 421.505 2.166 10 0 HEAEMN COCCN(C)c1cnn([C@H]2CCCN(CCOc3cccc(OC)c3)C2)c(=O)c1 ZINC000328608102 569419304 /nfs/dbraw/zinc/41/93/04/569419304.db2.gz XYXSDOISHDSHAJ-SFHVURJKSA-N 0 1 416.522 2.050 10 0 HEAEMN Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4cncnc4)no3)[C@@H](C)C2)c1 ZINC000029043102 568815704 /nfs/dbraw/zinc/81/57/04/568815704.db2.gz ZPDYUPGYNGOZNZ-KRWDZBQOSA-N 0 1 421.505 2.166 10 0 HEAEMN CCN(CCN1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000020539440 521046029 /nfs/dbraw/zinc/04/60/29/521046029.db2.gz XOHQGMLABRTBID-FQEVSTJZSA-N 0 1 424.611 2.164 10 0 HEAEMN COc1ccc2nccc([C@H](OC(C)=O)[C@H]3C[C@@H]4CC[N@H+]3C[C@]4(O)[C@H](C)O)c2c1 ZINC000077270103 559000187 /nfs/dbraw/zinc/00/01/87/559000187.db2.gz DGPBLFZAYXMSRB-CGLHLZILSA-N 0 1 400.475 2.054 10 0 in-vitro HEAEMN COc1ccc2nccc([C@H](OC(C)=O)[C@H]3C[C@@H]4CCN3C[C@]4(O)[C@H](C)O)c2c1 ZINC000077270103 559000189 /nfs/dbraw/zinc/00/01/89/559000189.db2.gz DGPBLFZAYXMSRB-CGLHLZILSA-N 0 1 400.475 2.054 10 0 in-vitro HEAEMN COc1ccc(CN(CCN2CCOCC2)C[C@H](O)COc2ccccc2)cc1 ZINC000036032109 569081012 /nfs/dbraw/zinc/08/10/12/569081012.db2.gz DLKJYQDWMINWRF-NRFANRHFSA-N 0 1 400.519 2.269 10 0 HEAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000328608103 569419225 /nfs/dbraw/zinc/41/92/25/569419225.db2.gz XYXXYGKGRQCFTP-GOSISDBHSA-N 0 1 416.497 2.059 10 0 HEAEMN CC(=O)N1CCC[N@@H+](CC[C@H]2CN(C(=O)c3cccs3)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481093 291202864 /nfs/dbraw/zinc/20/28/64/291202864.db2.gz BSKSIGJEKNPIHI-ROUUACIJSA-N 0 1 421.563 2.245 10 0 biogenic HEAEMN CC[C@@H](C)N1CCc2c(c(C(=O)N3CCNC(=O)CC3)nn2CCc2ccccc2)C1 ZINC000014740394 560756814 /nfs/dbraw/zinc/75/68/14/560756814.db2.gz PXSBJJKEEJRTMC-GOSISDBHSA-N 0 1 423.561 2.245 10 0 HEAEMN CCn1c(C)cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)c1C ZINC000328603908 569417201 /nfs/dbraw/zinc/41/72/01/569417201.db2.gz HJJLHFPZCOUFAN-QGZVFWFLSA-N 0 1 413.522 2.340 10 0 HEAEMN CCCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccc(OC)c1OC)CC2 ZINC000072122215 558502180 /nfs/dbraw/zinc/50/21/80/558502180.db2.gz STYJQNOMCYIPDW-QGZVFWFLSA-N 0 1 420.506 2.402 10 0 HEAEMN COc1ccccc1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000033032374 558856843 /nfs/dbraw/zinc/85/68/43/558856843.db2.gz UQJBXKAXUKYTOP-UHFFFAOYSA-N 0 1 401.894 2.423 10 0 HEAEMN CCN(CC)C(=O)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1OC(C)=O ZINC000003830280 568736866 /nfs/dbraw/zinc/73/68/66/568736866.db2.gz JSZILQVIPPROJI-FHWLQOOXSA-N 0 1 404.507 2.423 10 0 world HEAEMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccnc2)[N@H+]1C ZINC000253378501 569058198 /nfs/dbraw/zinc/05/81/98/569058198.db2.gz JOQJDNPUFSMRCK-SHUHUVMISA-N 0 1 403.523 2.364 10 0 HEAEMN COCCN1C(=O)C[C@@H](CNCc2cn(C(C)(C)C)nn2)[C@@H]1c1cnn(C(C)C)c1 ZINC000328606769 569418615 /nfs/dbraw/zinc/41/86/15/569418615.db2.gz SYDABSPPKNYKQQ-OXJNMPFZSA-N 0 1 417.558 2.136 10 0 HEAEMN Cn1c(CN[C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)nc2ccccc21 ZINC000077261972 291211047 /nfs/dbraw/zinc/21/10/47/291211047.db2.gz HWWYVRSNQLTWEJ-GWMUQRIZSA-N 0 1 406.408 2.355 10 0 biogenic HEAEMN CCOC[C@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668021 557361349 /nfs/dbraw/zinc/36/13/49/557361349.db2.gz RAPYXRVRVBUCLL-OGECGYFKSA-N 0 1 410.518 2.253 10 0 HEAEMN COc1cc(OC)cc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)c1 ZINC000065314954 558970952 /nfs/dbraw/zinc/97/09/52/558970952.db2.gz DMDJNSQUOUIOJY-UHFFFAOYSA-N 0 1 403.523 2.301 10 0 HEAEMN C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N(C)C)C1)c1nc(C(C)(C)C)no1 ZINC000583615906 560776297 /nfs/dbraw/zinc/77/62/97/560776297.db2.gz MXEIAHVCRUBVSY-CHWSQXEVSA-N 0 1 417.514 2.442 10 0 HEAEMN Cc1cccc2ncnc(N3CCC[C@@H](n4ncc(N5CCN(C)CC5)cc4=O)C3)c12 ZINC000328606449 569418411 /nfs/dbraw/zinc/41/84/11/569418411.db2.gz RPFWGLZZIGCYJD-GOSISDBHSA-N 0 1 419.533 2.088 10 0 HEAEMN COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2ccc(F)cc2)cc1 ZINC000036102460 569091937 /nfs/dbraw/zinc/09/19/37/569091937.db2.gz KEIQMPAJNALFRX-NRFANRHFSA-N 0 1 418.509 2.408 10 0 HEAEMN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCN1CCN(C)CC1 ZINC000064820232 569102494 /nfs/dbraw/zinc/10/24/94/569102494.db2.gz VPKUJOJMGACULX-UHFFFAOYSA-N 0 1 413.341 2.451 10 0 HEAEMN CC(=O)C1=C(C)N[C@H](Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S1 ZINC000048553213 569358841 /nfs/dbraw/zinc/35/88/41/569358841.db2.gz OBSTYBREFAMTKL-QGZVFWFLSA-N 0 1 405.505 2.438 10 0 HEAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000328608104 569419319 /nfs/dbraw/zinc/41/93/19/569419319.db2.gz XYXXYGKGRQCFTP-SFHVURJKSA-N 0 1 416.497 2.059 10 0 HEAEMN Cc1cc(CN2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)ccc1F ZINC000328602759 569416668 /nfs/dbraw/zinc/41/66/68/569416668.db2.gz CVEWIFQNIOGJGN-SFHVURJKSA-N 0 1 400.498 2.489 10 0 HEAEMN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1n[nH]c2c1CCC2 ZINC000011936392 559268837 /nfs/dbraw/zinc/26/88/37/559268837.db2.gz CZCICWOXXRRKCI-QFIPXVFZSA-N 0 1 417.513 2.059 10 0 HEAEMN CC(C)c1ncc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)s1 ZINC000328602754 569416585 /nfs/dbraw/zinc/41/65/85/569416585.db2.gz CTVSKQYYBZOTFH-AWEZNQCLSA-N 0 1 417.535 2.482 10 0 HEAEMN Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCCN1CCN(C)CC1 ZINC000085651539 569005777 /nfs/dbraw/zinc/00/57/77/569005777.db2.gz FPALDMUNFALIHO-UHFFFAOYSA-N 0 1 407.440 2.448 10 0 HEAEMN COc1ccc(OC[C@H](O)CN(CCN2CCOCC2)Cc2ccc(F)cc2)cc1 ZINC000036102458 569091993 /nfs/dbraw/zinc/09/19/93/569091993.db2.gz KEIQMPAJNALFRX-OAQYLSRUSA-N 0 1 418.509 2.408 10 0 HEAEMN Cc1cc(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)ccc1F ZINC000328602758 569416582 /nfs/dbraw/zinc/41/65/82/569416582.db2.gz CVEWIFQNIOGJGN-GOSISDBHSA-N 0 1 400.498 2.489 10 0 HEAEMN Cc1cc(C(=O)N2CCC[C@@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)sc1C ZINC000328603361 569416883 /nfs/dbraw/zinc/41/68/83/569416883.db2.gz FWLKJIQAQHUOAK-QGZVFWFLSA-N 0 1 415.563 2.151 10 0 HEAEMN CCN1CCN([C@@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097821 571314849 /nfs/dbraw/zinc/31/48/49/571314849.db2.gz TXYVEKNLPDTNLT-NRFANRHFSA-N 0 1 403.498 2.375 10 0 HEAEMN COC(=O)CC[C@H]1CN(Cc2coc3ccccc3c2=O)CC[C@H]1N1CCOCC1 ZINC000020776535 558412194 /nfs/dbraw/zinc/41/21/94/558412194.db2.gz PGIHJEZSTBCQSF-FXAWDEMLSA-N 0 1 414.502 2.269 10 0 HEAEMN COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1[N@@H+](C3)CCc1c3cc(OC)c(OC)cc3[nH]c12 ZINC000238779888 291205863 /nfs/dbraw/zinc/20/58/63/291205863.db2.gz RCDVEJINCXVEQG-UNJQAPKOSA-N 0 1 414.502 2.243 10 0 biogenic HEAEMN O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)N1CCN(c2ccc(F)cc2)CC1 ZINC000015726022 558750530 /nfs/dbraw/zinc/75/05/30/558750530.db2.gz KTPFQSZHFBCPJV-UHFFFAOYSA-N 0 1 416.478 2.277 10 0 HEAEMN COc1ccc2nccc([C@H](OC(C)=O)[C@H]3C[C@@H]4CC[N@H+]3C[C@]4(O)[C@@H](C)O)c2c1 ZINC000038262132 558811274 /nfs/dbraw/zinc/81/12/74/558811274.db2.gz DGPBLFZAYXMSRB-BXVRPLBZSA-N 0 1 400.475 2.054 10 0 in-vitro HEAEMN COc1ccc2nccc([C@H](OC(C)=O)[C@H]3C[C@@H]4CCN3C[C@]4(O)[C@@H](C)O)c2c1 ZINC000038262132 558811275 /nfs/dbraw/zinc/81/12/75/558811275.db2.gz DGPBLFZAYXMSRB-BXVRPLBZSA-N 0 1 400.475 2.054 10 0 in-vitro HEAEMN CC[C@@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1 ZINC000022468949 568768658 /nfs/dbraw/zinc/76/86/58/568768658.db2.gz LWOUOSDEDJXHJY-JOCHJYFZSA-N 0 1 401.551 2.450 10 0 HEAEMN CC(=O)C1=C(C)N[C@@H](Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S1 ZINC000048553209 569358846 /nfs/dbraw/zinc/35/88/46/569358846.db2.gz OBSTYBREFAMTKL-KRWDZBQOSA-N 0 1 405.505 2.438 10 0 HEAEMN Cc1cccc2ncnc(N3CCC[C@H](n4ncc(N5CCN(C)CC5)cc4=O)C3)c12 ZINC000328606454 569418443 /nfs/dbraw/zinc/41/84/43/569418443.db2.gz RPFWGLZZIGCYJD-SFHVURJKSA-N 0 1 419.533 2.088 10 0 HEAEMN Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)cc1C ZINC000045944690 525510672 /nfs/dbraw/zinc/51/06/72/525510672.db2.gz JJKUZGNWFANGMO-UHFFFAOYSA-N 0 1 407.580 2.449 10 0 HEAEMN CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000064843905 569107699 /nfs/dbraw/zinc/10/76/99/569107699.db2.gz OPQKFQCZWBHKCY-UHFFFAOYSA-N 0 1 410.471 2.108 10 0 HEAEMN CCn1c(C)cc(C(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCOCC3)C2)c1C ZINC000328603905 569417190 /nfs/dbraw/zinc/41/71/90/569417190.db2.gz HJJLHFPZCOUFAN-KRWDZBQOSA-N 0 1 413.522 2.340 10 0 HEAEMN CCOC[C@@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668022 557361431 /nfs/dbraw/zinc/36/14/31/557361431.db2.gz RAPYXRVRVBUCLL-MAIVGLDJSA-N 0 1 410.518 2.253 10 0 HEAEMN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 ZINC000023337341 558549740 /nfs/dbraw/zinc/54/97/40/558549740.db2.gz RAAMJKHKZPZUSO-LJQANCHMSA-N 0 1 417.535 2.329 10 0 HEAEMN CNc1nn2c(nc(C)cc2NCCCN(C)C)c1S(=O)(=O)c1ccccc1 ZINC000073196712 559259652 /nfs/dbraw/zinc/25/96/52/559259652.db2.gz DTCZEHDYOWMQLH-UHFFFAOYSA-N 0 1 402.524 2.276 10 0 HEAEMN COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CCN(C1CCOCC1)CC2 ZINC000014974839 568502842 /nfs/dbraw/zinc/50/28/42/568502842.db2.gz LYOVUDANHYKJCG-UHFFFAOYSA-N 0 1 412.486 2.251 10 0 HEAEMN CC[C@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1 ZINC000022468943 568768819 /nfs/dbraw/zinc/76/88/19/568768819.db2.gz LWOUOSDEDJXHJY-QFIPXVFZSA-N 0 1 401.551 2.450 10 0 HEAEMN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1n[nH]c2c1CCC2 ZINC000011936393 559268777 /nfs/dbraw/zinc/26/87/77/559268777.db2.gz CZCICWOXXRRKCI-JOCHJYFZSA-N 0 1 417.513 2.059 10 0 HEAEMN Cc1cc(C(=O)N2CCC[C@H](n3ncc(N4CCN(C)CC4)cc3=O)C2)sc1C ZINC000328603360 569416898 /nfs/dbraw/zinc/41/68/98/569416898.db2.gz FWLKJIQAQHUOAK-KRWDZBQOSA-N 0 1 415.563 2.151 10 0 HEAEMN CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 ZINC000023337343 558549767 /nfs/dbraw/zinc/54/97/67/558549767.db2.gz RAAMJKHKZPZUSO-IBGZPJMESA-N 0 1 417.535 2.329 10 0 HEAEMN CCCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccc(OC)c1OC)CC2 ZINC000072122216 558502288 /nfs/dbraw/zinc/50/22/88/558502288.db2.gz STYJQNOMCYIPDW-KRWDZBQOSA-N 0 1 420.506 2.402 10 0 HEAEMN O=C1COc2cc(S(=O)(=O)Nc3ccc4n[nH]cc4c3)c(Br)cc2N1 ZINC000032591529 527014131 /nfs/dbraw/zinc/01/41/31/527014131.db2.gz HZAYEOPTOUZLDT-UHFFFAOYSA-N 0 1 423.248 2.457 10 0 HEAEMN C[C@@H](NC(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N(C)C)C1)c1nc(C(C)(C)C)no1 ZINC000583615907 560776274 /nfs/dbraw/zinc/77/62/74/560776274.db2.gz MXEIAHVCRUBVSY-OLZOCXBDSA-N 0 1 417.514 2.442 10 0 HEAEMN