smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2c1 ZINC000217780534 206366286 /nfs/dbraw/zinc/36/62/86/206366286.db2.gz LBKKOBZEZMOUDN-HNAYVOBHSA-N 1 0 355.482 3.479 50 70 FGIARO COc1ccc(OC)c2[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000217789628 206366516 /nfs/dbraw/zinc/36/65/16/206366516.db2.gz UUQAOEILKFPJBT-WMLDXEAASA-N 1 0 371.481 3.179 50 70 FGIARO COc1ccc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000160856043 496055092 /nfs/dbraw/zinc/05/50/92/496055092.db2.gz UAPUESNABDOFFG-QGZVFWFLSA-N 1 0 374.529 3.276 50 70 FGIARO c1csc(C[N@H+]2CCCN(Cc3cnc(N4CCCCC4)nc3)CC2)c1 ZINC000218050988 526580628 /nfs/dbraw/zinc/58/06/28/526580628.db2.gz ULLMWWDDMXSFAQ-UHFFFAOYSA-N 1 0 371.554 3.236 50 70 FGIARO O=C(c1ccccc1-c1ccccc1F)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000218772594 206375478 /nfs/dbraw/zinc/37/54/78/206375478.db2.gz KHNKTJMVQHFVHG-SFTDATJTSA-N 1 0 368.452 3.164 50 70 FGIARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(F)cc1 ZINC000217734342 571350288 /nfs/dbraw/zinc/35/02/88/571350288.db2.gz HWTXLLNFEDCTJC-MAUKXSAKSA-N 1 0 356.445 3.210 50 70 FGIARO Cc1cc(N2CCCN(C(=O)[C@H]3Cc4cc(Cl)ccc4N3)CC2)cc[nH+]1 ZINC000216999623 206360344 /nfs/dbraw/zinc/36/03/44/206360344.db2.gz BJIHCJVBOGIKRQ-LJQANCHMSA-N 1 0 370.884 3.119 50 70 FGIARO C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(C[NH+]3CCCCC3)cs1)C2 ZINC000217480771 525851971 /nfs/dbraw/zinc/85/19/71/525851971.db2.gz PCYFXKHLKSYVRG-INIZCTEOSA-N 1 0 374.554 3.390 50 70 FGIARO Cc1ccccc1SC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000218258551 525334425 /nfs/dbraw/zinc/33/44/25/525334425.db2.gz MUHOLCFFCHVPCR-UHFFFAOYSA-N 1 0 369.538 3.333 50 70 FGIARO O=C(CCc1ccc(F)c(F)c1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000217081638 206362521 /nfs/dbraw/zinc/36/25/21/206362521.db2.gz XIDJWJQSGGURBP-QGZVFWFLSA-N 1 0 366.452 3.001 50 70 FGIARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000218482660 521655156 /nfs/dbraw/zinc/65/51/56/521655156.db2.gz ZZEOTPQGINHWMB-INIZCTEOSA-N 1 0 368.506 3.206 50 70 FGIARO O=C(NCCc1noc(C2CCC2)n1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000217203552 526466638 /nfs/dbraw/zinc/46/66/38/526466638.db2.gz CBHDZOGCRIPKPU-SFHVURJKSA-N 1 0 368.481 3.051 50 70 FGIARO Cc1cc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000160199590 206676185 /nfs/dbraw/zinc/67/61/85/206676185.db2.gz HCITXPHFQPNOIC-CQSZACIVSA-N 1 0 367.453 3.062 50 70 FGIARO OCCn1nccc1C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000160563165 495992884 /nfs/dbraw/zinc/99/28/84/495992884.db2.gz IJCLJOQJXNLRAE-UHFFFAOYSA-N 1 0 370.884 3.457 50 70 FGIARO CN(Cc1cc[nH]n1)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000217466494 523189669 /nfs/dbraw/zinc/18/96/69/523189669.db2.gz ARPIQEJRSDSAHG-UHFFFAOYSA-N 1 0 360.461 3.240 50 70 FGIARO C[C@H](O)c1cc2n(n1)CCC[N@@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000217085863 132272050 /nfs/dbraw/zinc/27/20/50/132272050.db2.gz OJGIXVKBGXOINH-HNNXBMFYSA-N 1 0 374.916 3.465 50 70 FGIARO O=C(c1ccccc1OCCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000217098201 496994877 /nfs/dbraw/zinc/99/48/77/496994877.db2.gz BFFURDNACCUNAU-LJQANCHMSA-N 1 0 350.462 3.228 50 70 FGIARO CSc1ccc(CC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000217771398 525983553 /nfs/dbraw/zinc/98/35/53/525983553.db2.gz MZDBFACKLOKZDB-SFHVURJKSA-N 1 0 362.539 3.054 50 70 FGIARO Cc1nc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2nc1C ZINC000217714511 571350198 /nfs/dbraw/zinc/35/01/98/571350198.db2.gz KFHAFRLKRMLNCZ-FXAWDEMLSA-N 1 0 352.482 3.241 50 70 FGIARO [NH3+][C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000160319645 206676550 /nfs/dbraw/zinc/67/65/50/206676550.db2.gz DVUKGOXGQWIBGT-LLVKDONJSA-N 1 0 352.221 3.354 50 70 FGIARO COc1cccc2ccn(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c21 ZINC000217674714 524262241 /nfs/dbraw/zinc/26/22/41/524262241.db2.gz GLSSHOJRPRASDQ-RBUKOAKNSA-N 1 0 369.509 3.421 50 70 FGIARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1 ZINC000218578063 526466722 /nfs/dbraw/zinc/46/67/22/526466722.db2.gz FNHAWUZXSSCSQH-NRFANRHFSA-N 1 0 366.509 3.176 50 70 FGIARO CN(C)[C@@H](C(=O)N1CCC2(CNc3ccccc32)CC1)c1ccc(F)cc1 ZINC000217394233 496997027 /nfs/dbraw/zinc/99/70/27/496997027.db2.gz BEVGFCOCZBPNSZ-HXUWFJFHSA-N 1 0 367.468 3.414 50 70 FGIARO CCc1oc(C(=O)N2CCC(c3ccncn3)CC2)cc1C[NH+](CC)CC ZINC000218548703 522974441 /nfs/dbraw/zinc/97/44/41/522974441.db2.gz DZWZYLWYCONORF-UHFFFAOYSA-N 1 0 370.497 3.494 50 70 FGIARO O=C(CCCc1nc(-c2ccco2)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217661848 526464471 /nfs/dbraw/zinc/46/44/71/526464471.db2.gz TYCDDACALHHEKE-JKSUJKDBSA-N 1 0 372.469 3.033 50 70 FGIARO CN(Cc1ncc[nH]1)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000217839305 523580375 /nfs/dbraw/zinc/58/03/75/523580375.db2.gz ASNNHOVAJNHRQW-UHFFFAOYSA-N 1 0 360.461 3.240 50 70 FGIARO O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217874708 526661436 /nfs/dbraw/zinc/66/14/36/526661436.db2.gz QCNWLEDEBRCJFO-ZWKOTPCHSA-N 1 0 368.481 3.050 50 70 FGIARO COc1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)c2c1 ZINC000217718922 222673418 /nfs/dbraw/zinc/67/34/18/222673418.db2.gz SXJUFSLQGHKGBB-FUHWJXTLSA-N 1 0 355.482 3.181 50 70 FGIARO COc1ccc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000160856180 496055336 /nfs/dbraw/zinc/05/53/36/496055336.db2.gz UAPUESNABDOFFG-KRWDZBQOSA-N 1 0 374.529 3.276 50 70 FGIARO Cn1c(CNC(=O)CC[NH+]2CCCCC2)nc2cc(C(F)(F)F)ccc21 ZINC000218648938 497004882 /nfs/dbraw/zinc/00/48/82/497004882.db2.gz OWDBNSYETOJZAC-UHFFFAOYSA-N 1 0 368.403 3.084 50 70 FGIARO CC[NH+](CC)Cc1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c(C)o1 ZINC000218132606 520743478 /nfs/dbraw/zinc/74/34/78/520743478.db2.gz WRFUPGFBGKEGLZ-MRXNPFEDSA-N 1 0 356.470 3.240 50 70 FGIARO O=C(CC[NH+]1Cc2ccccc2C1)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000218250633 526495974 /nfs/dbraw/zinc/49/59/74/526495974.db2.gz UBAIIEJDRVYGED-UHFFFAOYSA-N 1 0 364.424 3.238 50 70 FGIARO Cc1cc(N2CCCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4N3)CC2)cc[nH+]1 ZINC000216999612 496993152 /nfs/dbraw/zinc/99/31/52/496993152.db2.gz BJIHCJVBOGIKRQ-IBGZPJMESA-N 1 0 370.884 3.119 50 70 FGIARO O=C(c1ccccc1OCCc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000217098224 496994828 /nfs/dbraw/zinc/99/48/28/496994828.db2.gz BFFURDNACCUNAU-IBGZPJMESA-N 1 0 350.462 3.228 50 70 FGIARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1ccccc1F ZINC000217630183 496999333 /nfs/dbraw/zinc/99/93/33/496999333.db2.gz PJAZASHQRNORRS-QFBILLFUSA-N 1 0 370.472 3.314 50 70 FGIARO Cc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000218508610 497004064 /nfs/dbraw/zinc/00/40/64/497004064.db2.gz OEBOUTFBIQPWPS-MRXNPFEDSA-N 1 0 370.415 3.387 50 70 FGIARO C[NH+]1CCC(C(=O)N2CC(Oc3ccccc3F)C2)(c2ccccc2)CC1 ZINC000217116991 496994323 /nfs/dbraw/zinc/99/43/23/496994323.db2.gz CPSBVZHSIJETJB-UHFFFAOYSA-N 1 0 368.452 3.079 50 70 FGIARO CC[NH+](CC)Cc1cc(C(=O)NCc2cn3c(cccc3C)n2)c(C)o1 ZINC000217102161 496994603 /nfs/dbraw/zinc/99/46/03/496994603.db2.gz IQNNSWGVJDTLOD-UHFFFAOYSA-N 1 0 354.454 3.316 50 70 FGIARO C[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000217995635 132272667 /nfs/dbraw/zinc/27/26/67/132272667.db2.gz GYIOFAGCUAEDSH-FQEVSTJZSA-N 1 0 353.441 3.165 50 70 FGIARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(OCCn3ccnc3)cc2)C1 ZINC000217868286 527459615 /nfs/dbraw/zinc/45/96/15/527459615.db2.gz MUNFYQFHTJJOFC-LJQANCHMSA-N 1 0 365.481 3.075 50 70 FGIARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1ccc(F)cc1 ZINC000217712587 571350172 /nfs/dbraw/zinc/35/01/72/571350172.db2.gz QNKFHWXFAYFMNS-OXJNMPFZSA-N 1 0 370.472 3.314 50 70 FGIARO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000217085844 132272118 /nfs/dbraw/zinc/27/21/18/132272118.db2.gz OJGIXVKBGXOINH-OAHLLOKOSA-N 1 0 374.916 3.465 50 70 FGIARO CC[C@@H](NC(=O)CCC[NH+]1Cc2ccccc2C1)c1cn2cccnc2n1 ZINC000217047159 496993121 /nfs/dbraw/zinc/99/31/21/496993121.db2.gz NPTPMHPIDHYLGQ-GOSISDBHSA-N 1 0 363.465 3.093 50 70 FGIARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000217634155 496999187 /nfs/dbraw/zinc/99/91/87/496999187.db2.gz PYUXCXHLTDRNEB-NGRWLJPCSA-N 1 0 351.494 3.433 50 70 FGIARO CN(Cc1cnc2ccccc2n1)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000218129697 523501314 /nfs/dbraw/zinc/50/13/14/523501314.db2.gz GGFZGINUYDLYGL-SFHVURJKSA-N 1 0 360.461 3.078 50 70 FGIARO O=C(CCc1ccc(F)c(F)c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000217081610 496994172 /nfs/dbraw/zinc/99/41/72/496994172.db2.gz XIDJWJQSGGURBP-KRWDZBQOSA-N 1 0 366.452 3.001 50 70 FGIARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000218482577 521636284 /nfs/dbraw/zinc/63/62/84/521636284.db2.gz ZZEOTPQGINHWMB-MRXNPFEDSA-N 1 0 368.506 3.206 50 70 FGIARO CC(C)Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)cc1 ZINC000217118297 496994594 /nfs/dbraw/zinc/99/45/94/496994594.db2.gz DWHQMMGGCHSFHR-UHFFFAOYSA-N 1 0 357.542 3.127 50 70 FGIARO CCC1(CO)CC[NH+](Cc2cc(C)cc(CN3CC[NH+](C)CC3)c2C)CC1 ZINC000217412587 496997849 /nfs/dbraw/zinc/99/78/49/496997849.db2.gz ANIQIWLTRKUSIC-UHFFFAOYSA-N 1 0 373.585 3.035 50 70 FGIARO COc1ccc2c(cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2C)c1 ZINC000217692917 496999025 /nfs/dbraw/zinc/99/90/25/496999025.db2.gz KKSRFCOQBCWLBE-HNAYVOBHSA-N 1 0 355.482 3.181 50 70 FGIARO COc1cc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]c2cc1OC ZINC000217670485 496999051 /nfs/dbraw/zinc/99/90/51/496999051.db2.gz PKHMBEFIUOMVOT-KBXCAEBGSA-N 1 0 371.481 3.179 50 70 FGIARO O=C(c1ccc2ncccc2c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000218566921 497003298 /nfs/dbraw/zinc/00/32/98/497003298.db2.gz OOLICUSYFCVRDD-UHFFFAOYSA-N 1 0 357.457 3.160 50 70 FGIARO Cc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000218508527 497003624 /nfs/dbraw/zinc/00/36/24/497003624.db2.gz OEBOUTFBIQPWPS-INIZCTEOSA-N 1 0 370.415 3.387 50 70 FGIARO COc1ccc(F)c(F)c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000218292401 524285339 /nfs/dbraw/zinc/28/53/39/524285339.db2.gz QPZKHHIZCSOFJH-UHFFFAOYSA-N 1 0 374.431 3.410 50 70 FGIARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1cccc(F)c1 ZINC000217656745 525622344 /nfs/dbraw/zinc/62/23/44/525622344.db2.gz AMJDVGHRJYTJTI-OXJNMPFZSA-N 1 0 370.472 3.314 50 70 FGIARO C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(C[NH+]3CCCCC3)cs1)C2 ZINC000217480690 525863922 /nfs/dbraw/zinc/86/39/22/525863922.db2.gz PCYFXKHLKSYVRG-MRXNPFEDSA-N 1 0 374.554 3.390 50 70 FGIARO O=c1cc(CN2CCc3ccccc3C2)oc(C[NH+]2CCCCCC2)c1O ZINC000218298294 527479904 /nfs/dbraw/zinc/47/99/04/527479904.db2.gz VISUFYMESDHFMC-UHFFFAOYSA-N 1 0 368.477 3.280 50 70 FGIARO O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000218595469 206372208 /nfs/dbraw/zinc/37/22/08/206372208.db2.gz PNWLQPZIIGXFKJ-SFHVURJKSA-N 1 0 369.534 3.345 50 70 FGIARO CC1CC[NH+](Cc2ccc(C(=O)N3CCC(c4ccncn4)CC3)o2)CC1 ZINC000218443078 206370198 /nfs/dbraw/zinc/37/01/98/206370198.db2.gz VMFRMJILVZOJMP-UHFFFAOYSA-N 1 0 368.481 3.321 50 70 FGIARO Nc1nc(CCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000218152187 527551264 /nfs/dbraw/zinc/55/12/64/527551264.db2.gz OSHWQZAQUUDOKB-UHFFFAOYSA-N 1 0 358.511 3.074 50 70 FGIARO Cc1ccc2c(c1)c(CNC(=O)C1CC[NH+](Cc3ccco3)CC1)nn2C ZINC000218295017 526216477 /nfs/dbraw/zinc/21/64/77/526216477.db2.gz ZCUONIHAWLCQJW-UHFFFAOYSA-N 1 0 366.465 3.003 50 70 FGIARO COc1ccc(-c2nc3c([nH]2)C[N@H+](CCC(F)(F)C(F)F)CC3)cn1 ZINC000218562715 206371543 /nfs/dbraw/zinc/37/15/43/206371543.db2.gz FBKSWAJLCSYVFW-UHFFFAOYSA-N 1 0 358.339 3.129 50 70 FGIARO Cc1c(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160738536 206228468 /nfs/dbraw/zinc/22/84/68/206228468.db2.gz DSQFQLCUPBSVTR-SFHVURJKSA-N 1 0 367.497 3.500 50 70 FGIARO CSc1ccc(CC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000217771482 206365329 /nfs/dbraw/zinc/36/53/29/206365329.db2.gz MZDBFACKLOKZDB-GOSISDBHSA-N 1 0 362.539 3.054 50 70 FGIARO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1 ZINC000161146048 496113611 /nfs/dbraw/zinc/11/36/11/496113611.db2.gz UDKLCOLJBZBDFR-OAHLLOKOSA-N 1 0 352.434 3.435 50 70 FGIARO CC[C@H](NC(=O)CCC[NH+]1Cc2ccccc2C1)c1cn2cccnc2n1 ZINC000217047199 496992771 /nfs/dbraw/zinc/99/27/71/496992771.db2.gz NPTPMHPIDHYLGQ-SFHVURJKSA-N 1 0 363.465 3.093 50 70 FGIARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217726115 571350249 /nfs/dbraw/zinc/35/02/49/571350249.db2.gz RKEGIDYWABTJLP-QFBILLFUSA-N 1 0 370.472 3.221 50 70 FGIARO Cc1[nH]c2c(c1C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C(=O)CCC2 ZINC000218164370 525415832 /nfs/dbraw/zinc/41/58/32/525415832.db2.gz GKIJBMIMYCYKQU-UHFFFAOYSA-N 1 0 365.477 3.368 50 70 FGIARO COc1ccccc1-c1n[nH]cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217810824 571350854 /nfs/dbraw/zinc/35/08/54/571350854.db2.gz IAYAIOGPSRUBPC-MAUKXSAKSA-N 1 0 368.481 3.080 50 70 FGIARO CC(=O)c1ccc(OCC(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000218073470 497000167 /nfs/dbraw/zinc/00/01/67/497000167.db2.gz XDVQVAUMSAIHFG-QGZVFWFLSA-N 1 0 358.482 3.039 50 70 FGIARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(OCCn3ccnc3)cc2)C1 ZINC000217868366 527468276 /nfs/dbraw/zinc/46/82/76/527468276.db2.gz MUNFYQFHTJJOFC-IBGZPJMESA-N 1 0 365.481 3.075 50 70 FGIARO COC[C@@H]1[C@H]([NH2+]C2CCN(c3ccc(C)c(Cl)c3)CC2)[C@@H]2CCO[C@H]12 ZINC000218451881 132273282 /nfs/dbraw/zinc/27/32/82/132273282.db2.gz KNXPFOVMUSVSBL-CUDHKJQZSA-N 1 0 364.917 3.257 50 70 FGIARO CN(Cc1cc2n(n1)CCC[N@H+](C[C@@H]1CC=CCC1)C2)Cc1cccnc1 ZINC000216647144 568133167 /nfs/dbraw/zinc/13/31/67/568133167.db2.gz ITLZXHMBYZRKNW-LJQANCHMSA-N 1 0 365.525 3.472 50 70 FGIARO c1cn(CCOc2ccccc2CN2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000216940697 526532896 /nfs/dbraw/zinc/53/28/96/526532896.db2.gz HXPZBYPHUCGNMC-FQEVSTJZSA-N 1 0 354.498 3.022 50 70 FGIARO O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000218341693 527534832 /nfs/dbraw/zinc/53/48/32/527534832.db2.gz KQMNHUJJVMCJEU-QFIPXVFZSA-N 1 0 363.505 3.436 50 70 FGIARO O=c1cc(C[NH+]2CCCCCC2)oc(CN2CCc3ccccc3C2)c1O ZINC000218226115 527476552 /nfs/dbraw/zinc/47/65/52/527476552.db2.gz MQUGGTZRXPWASR-UHFFFAOYSA-N 1 0 368.477 3.280 50 70 FGIARO CC(C)c1cc(CN(C)C(=O)C2(c3ccccc3)CC[NH+](C)CC2)no1 ZINC000218682726 497004548 /nfs/dbraw/zinc/00/45/48/497004548.db2.gz ZLGGDSAJVCZOBD-UHFFFAOYSA-N 1 0 355.482 3.420 50 70 FGIARO Cc1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217741671 571350309 /nfs/dbraw/zinc/35/03/09/571350309.db2.gz BSRFJBMEKOTWJC-JKSUJKDBSA-N 1 0 358.511 3.237 50 70 FGIARO c1cn(CCOc2ccccc2CN2CC[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000216940671 496993600 /nfs/dbraw/zinc/99/36/00/496993600.db2.gz HXPZBYPHUCGNMC-HXUWFJFHSA-N 1 0 354.498 3.022 50 70 FGIARO CC[NH+](CC)Cc1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)c(C)o1 ZINC000218132677 520743295 /nfs/dbraw/zinc/74/32/95/520743295.db2.gz WRFUPGFBGKEGLZ-INIZCTEOSA-N 1 0 356.470 3.240 50 70 FGIARO Cc1ccccc1[C@@H](C(=O)N(C)Cc1cccc(C[NH+](C)C)c1)N(C)C ZINC000218216628 497001046 /nfs/dbraw/zinc/00/10/46/497001046.db2.gz WBLVYAQWFFNCOM-NRFANRHFSA-N 1 0 353.510 3.318 50 70 FGIARO O=C(NCCc1noc(C2CCC2)n1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000217203559 526466890 /nfs/dbraw/zinc/46/68/90/526466890.db2.gz CBHDZOGCRIPKPU-GOSISDBHSA-N 1 0 368.481 3.051 50 70 FGIARO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1 ZINC000161145922 496114153 /nfs/dbraw/zinc/11/41/53/496114153.db2.gz UDKLCOLJBZBDFR-HNNXBMFYSA-N 1 0 352.434 3.435 50 70 FGIARO CC(=O)c1ccc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000218073379 497000073 /nfs/dbraw/zinc/00/00/73/497000073.db2.gz XDVQVAUMSAIHFG-KRWDZBQOSA-N 1 0 358.482 3.039 50 70 FGIARO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1 ZINC000218578140 526535324 /nfs/dbraw/zinc/53/53/24/526535324.db2.gz FNHAWUZXSSCSQH-OAQYLSRUSA-N 1 0 366.509 3.176 50 70 FGIARO C[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000217995555 132272868 /nfs/dbraw/zinc/27/28/68/132272868.db2.gz GYIOFAGCUAEDSH-HXUWFJFHSA-N 1 0 353.441 3.165 50 70 FGIARO Cc1ccccc1[C@H](C(=O)N(C)Cc1cccc(C[NH+](C)C)c1)N(C)C ZINC000218216695 497000747 /nfs/dbraw/zinc/00/07/47/497000747.db2.gz WBLVYAQWFFNCOM-OAQYLSRUSA-N 1 0 353.510 3.318 50 70 FGIARO CN(Cc1csc(-c2ccccc2)n1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218541849 523522066 /nfs/dbraw/zinc/52/20/66/523522066.db2.gz SSRVJRMTAHTWTM-UHFFFAOYSA-N 1 0 366.494 3.023 50 70 FGIARO O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217857796 527333747 /nfs/dbraw/zinc/33/37/47/527333747.db2.gz VUYSMTJRGJYQJC-MAUKXSAKSA-N 1 0 370.522 3.128 50 70 FGIARO COC1CC[NH+](C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000217776725 571350639 /nfs/dbraw/zinc/35/06/39/571350639.db2.gz YANQIULTVFWBPN-UHFFFAOYSA-N 1 0 368.880 3.123 50 70 FGIARO Cc1c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160738389 496032075 /nfs/dbraw/zinc/03/20/75/496032075.db2.gz DSQFQLCUPBSVTR-GOSISDBHSA-N 1 0 367.497 3.500 50 70 FGIARO CN(Cc1cnc2ccccc2n1)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000218129615 523501081 /nfs/dbraw/zinc/50/10/81/523501081.db2.gz GGFZGINUYDLYGL-GOSISDBHSA-N 1 0 360.461 3.078 50 70 FGIARO CN(C)[C@H](C(=O)N1CCC2(CNc3ccccc32)CC1)c1ccc(F)cc1 ZINC000217394314 496997077 /nfs/dbraw/zinc/99/70/77/496997077.db2.gz BEVGFCOCZBPNSZ-FQEVSTJZSA-N 1 0 367.468 3.414 50 70 FGIARO Cc1n[nH]c(C)c1CCNC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000217755418 526493538 /nfs/dbraw/zinc/49/35/38/526493538.db2.gz RJZLXVLUNAHFHD-UHFFFAOYSA-N 1 0 354.498 3.375 50 70 FGIARO [NH3+][C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000160235949 495915006 /nfs/dbraw/zinc/91/50/06/495915006.db2.gz WWQUFZJGARIZGM-LLVKDONJSA-N 1 0 352.221 3.354 50 70 FGIARO