smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1nnc(CCn2c(C)[nH+]c3ccccc32)n1-c1ccccc1 ZINC000003851077 204111889 /nfs/dbraw/zinc/11/18/89/204111889.db2.gz UOMJIUYBCFNQCK-UHFFFAOYSA-N 1 2 363.490 4.280 40 0 FIABLO COc1cc(C)c(C[N@H+](Cc2ccncc2)Cc2cccnc2)cc1OC ZINC000013989689 206307504 /nfs/dbraw/zinc/30/75/04/206307504.db2.gz DXWVMWRFKILSFF-UHFFFAOYSA-N 1 2 363.461 4.005 40 0 FIABLO COc1cc(C)c(C[N@@H+](Cc2ccncc2)Cc2cccnc2)cc1OC ZINC000013989689 206307507 /nfs/dbraw/zinc/30/75/07/206307507.db2.gz DXWVMWRFKILSFF-UHFFFAOYSA-N 1 2 363.461 4.005 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)c(C)c1 ZINC000226253054 132250024 /nfs/dbraw/zinc/25/00/24/132250024.db2.gz MPVIFCUQYMDEDG-UHFFFAOYSA-N 1 2 367.493 4.139 40 0 FIABLO O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959453 132283791 /nfs/dbraw/zinc/28/37/91/132283791.db2.gz GZMJGTFOFKVLKL-UHFFFAOYSA-N 1 2 364.898 4.272 40 0 FIABLO Cc1nc(N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)cc[nH+]1 ZINC000257206869 132294603 /nfs/dbraw/zinc/29/46/03/132294603.db2.gz BFGMTLIISIKVIW-UHFFFAOYSA-N 1 2 366.440 4.061 40 0 FIABLO Cc1nc(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)cc[nH+]1 ZINC000257257465 132295953 /nfs/dbraw/zinc/29/59/53/132295953.db2.gz KPRCBRVSZRZSPD-UHFFFAOYSA-N 1 2 366.440 4.061 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000329017954 132372679 /nfs/dbraw/zinc/37/26/79/132372679.db2.gz NOEKDWBDEAZQMU-GFCCVEGCSA-N 1 2 361.287 4.012 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000329017954 132372680 /nfs/dbraw/zinc/37/26/80/132372680.db2.gz NOEKDWBDEAZQMU-GFCCVEGCSA-N 1 2 361.287 4.012 40 0 FIABLO Cc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000061035479 136132539 /nfs/dbraw/zinc/13/25/39/136132539.db2.gz XHADZOUZKDCJOD-UHFFFAOYSA-N 1 2 358.507 4.341 40 0 FIABLO CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329024401 521731320 /nfs/dbraw/zinc/73/13/20/521731320.db2.gz OZRIOPXZUCHZGL-UHFFFAOYSA-N 1 2 359.260 4.470 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329024814 522140474 /nfs/dbraw/zinc/14/04/74/522140474.db2.gz PBQFZPBIYMJCKG-SNVBAGLBSA-N 1 2 351.281 4.459 40 0 FIABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289301 560032923 /nfs/dbraw/zinc/03/29/23/560032923.db2.gz PPLVNFSBVJZJIS-IRXDYDNUSA-N 1 2 369.509 4.159 40 0 biogenic,in-vitro FIABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289301 560032924 /nfs/dbraw/zinc/03/29/24/560032924.db2.gz PPLVNFSBVJZJIS-IRXDYDNUSA-N 1 2 369.509 4.159 40 0 biogenic,in-vitro FIABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213407 570529281 /nfs/dbraw/zinc/52/92/81/570529281.db2.gz GUKXKLXWYDJDDO-APWZRJJASA-N 1 2 373.522 4.126 40 0 FIABLO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]cc1SC(C)(C)C ZINC000072223667 570534824 /nfs/dbraw/zinc/53/48/24/570534824.db2.gz FWZKISNYPCZYFX-UHFFFAOYSA-N 1 2 365.543 4.338 40 0 FIABLO Clc1ccc(-c2nc(NCc3cccnc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221833 570729129 /nfs/dbraw/zinc/72/91/29/570729129.db2.gz KJSYCLPKOVUTSI-UHFFFAOYSA-N 1 2 362.824 4.194 40 0 FIABLO c1coc(C[N@H+](Cc2c[nH]nc2-c2cccs2)Cc2cccnc2)c1 ZINC000019338710 570886426 /nfs/dbraw/zinc/88/64/26/570886426.db2.gz MPENUCBKXGZRPD-UHFFFAOYSA-N 1 2 350.447 4.329 40 0 FIABLO c1coc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)Cc2cccnc2)c1 ZINC000019338710 570886429 /nfs/dbraw/zinc/88/64/29/570886429.db2.gz MPENUCBKXGZRPD-UHFFFAOYSA-N 1 2 350.447 4.329 40 0 FIABLO C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019498289 570890244 /nfs/dbraw/zinc/89/02/44/570890244.db2.gz BAFLHSVNEPUKFN-INIZCTEOSA-N 1 2 370.456 4.172 40 0 FIABLO COCc1ccc(OC)c(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1 ZINC000019594371 570895845 /nfs/dbraw/zinc/89/58/45/570895845.db2.gz OOLHBKQYIDEENV-KRWDZBQOSA-N 1 2 374.531 4.433 40 0 FIABLO O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020041861 570909048 /nfs/dbraw/zinc/90/90/48/570909048.db2.gz DTSJVMJMLHSISG-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO CC[N@H+](CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000028713545 571034332 /nfs/dbraw/zinc/03/43/32/571034332.db2.gz RVPWMLKHSGIZQE-QGZVFWFLSA-N 1 2 352.261 4.232 40 0 FIABLO CC[N@@H+](CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000028713545 571034335 /nfs/dbraw/zinc/03/43/35/571034335.db2.gz RVPWMLKHSGIZQE-QGZVFWFLSA-N 1 2 352.261 4.232 40 0 FIABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141763 571041804 /nfs/dbraw/zinc/04/18/04/571041804.db2.gz WFRCSWMDUCTBJZ-QGZVFWFLSA-N 1 2 363.490 4.133 40 0 FIABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141763 571041807 /nfs/dbraw/zinc/04/18/07/571041807.db2.gz WFRCSWMDUCTBJZ-QGZVFWFLSA-N 1 2 363.490 4.133 40 0 FIABLO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225631238 571051194 /nfs/dbraw/zinc/05/11/94/571051194.db2.gz HSRJSFYOEOTTPT-RMKNXTFCSA-N 1 2 360.501 4.037 40 0 FIABLO CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329032273 571108016 /nfs/dbraw/zinc/10/80/16/571108016.db2.gz QOJBBEJFPJXGBN-UHFFFAOYSA-N 1 2 359.260 4.470 40 0 FIABLO CCNc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329037085 571108264 /nfs/dbraw/zinc/10/82/64/571108264.db2.gz RLYKMJYTVGKWOK-UHFFFAOYSA-N 1 2 372.394 4.490 40 0 FIABLO Fc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329046487 571108795 /nfs/dbraw/zinc/10/87/95/571108795.db2.gz UBBUTHQUTSUONN-UHFFFAOYSA-N 1 2 360.864 4.479 40 0 FIABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329065653 571109401 /nfs/dbraw/zinc/10/94/01/571109401.db2.gz XTJFZXAYGJDJDI-UHFFFAOYSA-N 1 2 358.489 4.262 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329071086 571109801 /nfs/dbraw/zinc/10/98/01/571109801.db2.gz ZMXPVIMEXQJFBS-LLVKDONJSA-N 1 2 366.387 4.050 40 0 FIABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCC2)c2ccc(Cl)cc2)CC1 ZINC000004847718 204169354 /nfs/dbraw/zinc/16/93/54/204169354.db2.gz GLPVJQJNZOKJMK-GOSISDBHSA-N 1 2 359.905 4.263 40 0 FIABLO CCCn1ncc(C[N@H+](Cc2ccncc2)Cc2ccc(OC)cc2)c1C ZINC000057797045 205244339 /nfs/dbraw/zinc/24/43/39/205244339.db2.gz BLHLMNGCIGMUMN-UHFFFAOYSA-N 1 2 364.493 4.208 40 0 FIABLO CCCn1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)cc2)c1C ZINC000057797045 205244343 /nfs/dbraw/zinc/24/43/43/205244343.db2.gz BLHLMNGCIGMUMN-UHFFFAOYSA-N 1 2 364.493 4.208 40 0 FIABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243483118 206119098 /nfs/dbraw/zinc/11/90/98/206119098.db2.gz NPSTZJIZTHRPSI-UHFFFAOYSA-N 1 2 360.417 4.248 40 0 FIABLO CCOc1ccc2cc(CNc3ccc([NH+]4CCCC4)cc3)c(=O)[nH]c2c1 ZINC000013561404 206304662 /nfs/dbraw/zinc/30/46/62/206304662.db2.gz WJZJQECJVFUCCY-UHFFFAOYSA-N 1 2 363.461 4.139 40 0 FIABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000026522366 206334980 /nfs/dbraw/zinc/33/49/80/206334980.db2.gz TZURFUQMFTUBTG-UHFFFAOYSA-N 1 2 359.297 4.483 40 0 FIABLO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216257555 206358410 /nfs/dbraw/zinc/35/84/10/206358410.db2.gz YMKXWMPAVYZCPP-KRWDZBQOSA-N 1 2 371.440 4.109 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1C ZINC000226253023 132249946 /nfs/dbraw/zinc/24/99/46/132249946.db2.gz AQNSSINCUFYNAQ-KRWDZBQOSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000226253023 132249947 /nfs/dbraw/zinc/24/99/47/132249947.db2.gz AQNSSINCUFYNAQ-KRWDZBQOSA-N 1 2 367.493 4.282 40 0 FIABLO C[C@H]1CCCCN1c1nc(N2CCCC[C@@H]2C)[nH+]c(N2CCCC[C@@H]2C)n1 ZINC000004460183 132304116 /nfs/dbraw/zinc/30/41/16/132304116.db2.gz IRHBJWKEYATDJX-BZSNNMDCSA-N 1 2 372.561 4.008 40 0 FIABLO c1ccc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096156554 570478004 /nfs/dbraw/zinc/47/80/04/570478004.db2.gz BXVQXUJQERTQRJ-HXUWFJFHSA-N 1 2 355.445 4.128 40 0 FIABLO c1ccc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096156554 570478008 /nfs/dbraw/zinc/47/80/08/570478008.db2.gz BXVQXUJQERTQRJ-HXUWFJFHSA-N 1 2 355.445 4.128 40 0 FIABLO CCCNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213233 570528585 /nfs/dbraw/zinc/52/85/85/570528585.db2.gz ZHATVGNJCHYEBE-LJQANCHMSA-N 1 2 373.522 4.128 40 0 FIABLO Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N(C)C ZINC000072218650 570534299 /nfs/dbraw/zinc/53/42/99/570534299.db2.gz AYBUMVNSZWXTNR-IBGZPJMESA-N 1 2 353.466 4.320 40 0 FIABLO COc1ccc(OC)c(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1 ZINC000019551711 570892569 /nfs/dbraw/zinc/89/25/69/570892569.db2.gz CNXQLFFLZJWZPT-INIZCTEOSA-N 1 2 360.504 4.295 40 0 FIABLO COc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019550650 570892577 /nfs/dbraw/zinc/89/25/77/570892577.db2.gz BBVOMCLHEPYVGC-CQSZACIVSA-N 1 2 374.487 4.016 40 0 FIABLO Cc1sc2c(C3CCN(C(=O)C[C@@H]4C=CCC4)CC3)[nH+]c(C)n2c1C ZINC000019561792 570893800 /nfs/dbraw/zinc/89/38/00/570893800.db2.gz NPRWVKMIMOGLFB-MRXNPFEDSA-N 1 2 357.523 4.383 40 0 FIABLO Cc1sc2c(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)[nH+]c(C)n2c1C ZINC000019561783 570893839 /nfs/dbraw/zinc/89/38/39/570893839.db2.gz CFKGMBWSYVLXDW-QGZVFWFLSA-N 1 2 357.523 4.383 40 0 FIABLO Cc1ccc(-c2ncc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019662996 570897803 /nfs/dbraw/zinc/89/78/03/570897803.db2.gz ALCOECWLPMXJPX-QFIPXVFZSA-N 1 2 374.488 4.028 40 0 FIABLO Cc1ccc(-c2ncc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019662996 570897806 /nfs/dbraw/zinc/89/78/06/570897806.db2.gz ALCOECWLPMXJPX-QFIPXVFZSA-N 1 2 374.488 4.028 40 0 FIABLO Cc1ccc([C@H](c2nnnn2C2CCCC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121056 570910256 /nfs/dbraw/zinc/91/02/56/570910256.db2.gz KCPMRCVJQHGUNU-JOCHJYFZSA-N 1 2 373.504 4.244 40 0 FIABLO Cc1ccc([C@H](c2nnnn2C2CCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121056 570910259 /nfs/dbraw/zinc/91/02/59/570910259.db2.gz KCPMRCVJQHGUNU-JOCHJYFZSA-N 1 2 373.504 4.244 40 0 FIABLO COc1ccccc1[C@@H]1c2cc3c(cc2O[C@H]([NH+]2CCCC2)[C@@H]1C)OCO3 ZINC000031860836 571056021 /nfs/dbraw/zinc/05/60/21/571056021.db2.gz GUTQDDXXUDZPIR-ZLUZWTFRSA-N 1 2 367.445 4.006 40 0 FIABLO FC(F)Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328976544 571105733 /nfs/dbraw/zinc/10/57/33/571105733.db2.gz FOLWAGMTBQGCNB-UHFFFAOYSA-N 1 2 360.408 4.475 40 0 FIABLO Cc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328984908 571106013 /nfs/dbraw/zinc/10/60/13/571106013.db2.gz HQLKMHSNPKMPJJ-UHFFFAOYSA-N 1 2 373.504 4.048 40 0 FIABLO CC[C@@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328977859 571106030 /nfs/dbraw/zinc/10/60/30/571106030.db2.gz FWLOSLSQIJLJOG-CQSZACIVSA-N 1 2 368.431 4.088 40 0 FIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)ccc1Cl ZINC000329013032 571107136 /nfs/dbraw/zinc/10/71/36/571107136.db2.gz MMIKMCYJPURJCZ-CQSZACIVSA-N 1 2 368.868 4.064 40 0 FIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000329063426 571109370 /nfs/dbraw/zinc/10/93/70/571109370.db2.gz XEKCPDAIUCVSSK-UHFFFAOYSA-N 1 2 360.864 4.479 40 0 FIABLO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cscn3)ccn2)n1 ZINC000257269633 571156448 /nfs/dbraw/zinc/15/64/48/571156448.db2.gz MQSXBHVRDSMJLT-QGZVFWFLSA-N 1 2 351.479 4.322 40 0 FIABLO Cc1cccc(Nc2cc([C@H]3CCC[N@H+]3Cc3cscn3)ccn2)n1 ZINC000257269633 571156450 /nfs/dbraw/zinc/15/64/50/571156450.db2.gz MQSXBHVRDSMJLT-QGZVFWFLSA-N 1 2 351.479 4.322 40 0 FIABLO COc1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072383649 571188666 /nfs/dbraw/zinc/18/86/66/571188666.db2.gz YFGOXWSAJOTXIK-FQEVSTJZSA-N 1 2 362.433 4.010 40 0 FIABLO COc1ccc(Oc2cncc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072383649 571188668 /nfs/dbraw/zinc/18/86/68/571188668.db2.gz YFGOXWSAJOTXIK-FQEVSTJZSA-N 1 2 362.433 4.010 40 0 FIABLO CCOc1cc2c(cc1OCC)C(Cc1ccc(OC)c(OC)c1)=[NH+]CC2 ZINC000073633094 571200994 /nfs/dbraw/zinc/20/09/94/571200994.db2.gz BDUGQWXHGOKJHP-UHFFFAOYSA-N 1 2 369.461 4.089 40 0 FIABLO CC(C)=C[C@H]1[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1(C)C ZINC000058413641 571351201 /nfs/dbraw/zinc/35/12/01/571351201.db2.gz GEYYXHYCGBGAQJ-SZMVWBNQSA-N 1 2 355.457 4.003 40 0 FIABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035426096 204264791 /nfs/dbraw/zinc/26/47/91/204264791.db2.gz PRAIPQDOHVUBLE-INIZCTEOSA-N 1 2 369.856 4.164 40 0 biogenic,in-vitro FIABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035426096 204264796 /nfs/dbraw/zinc/26/47/96/204264796.db2.gz PRAIPQDOHVUBLE-INIZCTEOSA-N 1 2 369.856 4.164 40 0 biogenic,in-vitro FIABLO Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1[NH+]1CCCC1 ZINC000226330622 206121915 /nfs/dbraw/zinc/12/19/15/206121915.db2.gz DIVQUWBJTGGPHQ-UHFFFAOYSA-N 1 2 374.282 4.192 40 0 FIABLO Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1[NH+]1CCCC1 ZINC000226330629 206122176 /nfs/dbraw/zinc/12/21/76/206122176.db2.gz HZMNGGMNNDREDA-UHFFFAOYSA-N 1 2 374.282 4.192 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCc1ccccc1F)C3 ZINC000013563796 206303915 /nfs/dbraw/zinc/30/39/15/206303915.db2.gz JPUYFUFKLQBDMV-UHFFFAOYSA-N 1 2 350.437 4.428 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCc1ccccc1F)C3 ZINC000013563796 206303919 /nfs/dbraw/zinc/30/39/19/206303919.db2.gz JPUYFUFKLQBDMV-UHFFFAOYSA-N 1 2 350.437 4.428 40 0 FIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(C)cc1 ZINC000057613805 206387355 /nfs/dbraw/zinc/38/73/55/206387355.db2.gz VKAACGJVQMXIEB-HXUWFJFHSA-N 1 2 363.509 4.348 40 0 FIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(C)cc1 ZINC000057613805 206387359 /nfs/dbraw/zinc/38/73/59/206387359.db2.gz VKAACGJVQMXIEB-HXUWFJFHSA-N 1 2 363.509 4.348 40 0 FIABLO COc1cccc(C(=O)Nc2cc([N@@H+]3CCCC[C@H]3C)c(C)cc2N)c1 ZINC000226331566 132251117 /nfs/dbraw/zinc/25/11/17/132251117.db2.gz LBPROMCVRKSHBS-OAHLLOKOSA-N 1 2 353.466 4.217 40 0 FIABLO COc1cccc(C(=O)Nc2cc([N@H+]3CCCC[C@H]3C)c(C)cc2N)c1 ZINC000226331566 132251118 /nfs/dbraw/zinc/25/11/18/132251118.db2.gz LBPROMCVRKSHBS-OAHLLOKOSA-N 1 2 353.466 4.217 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 ZINC000219860919 132275131 /nfs/dbraw/zinc/27/51/31/132275131.db2.gz IBWSQNOUPIJZGN-UHFFFAOYSA-N 1 2 354.469 4.100 40 0 FIABLO C[C@H]1C[C@H](C)CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C1 ZINC000057761941 136130192 /nfs/dbraw/zinc/13/01/92/136130192.db2.gz DLVCWVSJJCRBNK-KBPBESRZSA-N 1 2 351.429 4.155 40 0 FIABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212892 570528409 /nfs/dbraw/zinc/52/84/09/570528409.db2.gz NPEUNFIJYSGHRI-LJQANCHMSA-N 1 2 353.466 4.402 40 0 FIABLO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000013769455 570790332 /nfs/dbraw/zinc/79/03/32/570790332.db2.gz JGROEFOTKHHERD-UHFFFAOYSA-N 1 2 370.305 4.101 40 0 FIABLO c1nn(C2CCCCC2)cc1C[N@H+](Cc1ccncc1)Cc1cccnc1 ZINC000019338718 570886347 /nfs/dbraw/zinc/88/63/47/570886347.db2.gz PCFHRZGYFUKADY-UHFFFAOYSA-N 1 2 361.493 4.381 40 0 FIABLO c1nn(C2CCCCC2)cc1C[N@@H+](Cc1ccncc1)Cc1cccnc1 ZINC000019338718 570886352 /nfs/dbraw/zinc/88/63/52/570886352.db2.gz PCFHRZGYFUKADY-UHFFFAOYSA-N 1 2 361.493 4.381 40 0 FIABLO O=c1c(C[N@H+](Cc2ccccc2F)C[C@@H]2CCCO2)coc2ccccc12 ZINC000019348734 570886696 /nfs/dbraw/zinc/88/66/96/570886696.db2.gz JRDPQCYPPRYWMF-SFHVURJKSA-N 1 2 367.420 4.113 40 0 FIABLO O=c1c(C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)coc2ccccc12 ZINC000019348734 570886699 /nfs/dbraw/zinc/88/66/99/570886699.db2.gz JRDPQCYPPRYWMF-SFHVURJKSA-N 1 2 367.420 4.113 40 0 FIABLO CCc1[nH+]ccn1[C@@H](C)C(=O)Nc1ccc2nc(Cc3ccccc3)[nH]c2c1 ZINC000019718527 570900451 /nfs/dbraw/zinc/90/04/51/570900451.db2.gz ZNDHUDONAVFREU-HNNXBMFYSA-N 1 2 373.460 4.112 40 0 FIABLO O=C(CSCc1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000022519498 570944972 /nfs/dbraw/zinc/94/49/72/570944972.db2.gz LUUXCWYSXNPSQA-UHFFFAOYSA-N 1 2 371.893 4.075 40 0 FIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000030757201 571049926 /nfs/dbraw/zinc/04/99/26/571049926.db2.gz OPFWUYUVAJZUJF-UHFFFAOYSA-N 1 2 353.425 4.469 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328981188 571105937 /nfs/dbraw/zinc/10/59/37/571105937.db2.gz GSIKMWLYPQUTBQ-JTQLQIEISA-N 1 2 351.281 4.459 40 0 FIABLO CC[C@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328977858 571106045 /nfs/dbraw/zinc/10/60/45/571106045.db2.gz FWLOSLSQIJLJOG-AWEZNQCLSA-N 1 2 368.431 4.088 40 0 FIABLO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328989181 571106256 /nfs/dbraw/zinc/10/62/56/571106256.db2.gz IJUHBBWNNYIALS-KRWDZBQOSA-N 1 2 374.916 4.219 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328985285 571106281 /nfs/dbraw/zinc/10/62/81/571106281.db2.gz HSAVMNLZHSMWNN-OAHLLOKOSA-N 1 2 350.441 4.389 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(C2CC2)[nH+]1 ZINC000329018389 571107363 /nfs/dbraw/zinc/10/73/63/571107363.db2.gz NRGQOKBMSLSKOK-LBPRGKRZSA-N 1 2 364.415 4.479 40 0 FIABLO Fc1ccc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1F ZINC000329044778 571108535 /nfs/dbraw/zinc/10/85/35/571108535.db2.gz SXSSVZXQAVIUDT-UHFFFAOYSA-N 1 2 362.399 4.103 40 0 FIABLO COc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329050012 571108872 /nfs/dbraw/zinc/10/88/72/571108872.db2.gz URJFUKZWOATAKE-UHFFFAOYSA-N 1 2 372.900 4.348 40 0 FIABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)[nH+]1 ZINC000257313458 571161009 /nfs/dbraw/zinc/16/10/09/571161009.db2.gz USNUBCSUYMEGPR-IBGZPJMESA-N 1 2 373.447 4.053 40 0 FIABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3CCc3ccccc3)n2)n1 ZINC000072377577 571186459 /nfs/dbraw/zinc/18/64/59/571186459.db2.gz HZJGSFMDOKWYKT-QGZVFWFLSA-N 1 2 351.479 4.056 40 0 FIABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3CCc3ccccc3)n2)n1 ZINC000072377577 571186460 /nfs/dbraw/zinc/18/64/60/571186460.db2.gz HZJGSFMDOKWYKT-QGZVFWFLSA-N 1 2 351.479 4.056 40 0 FIABLO Cc1cccc(-c2cc3nc(C)c(C)c(NCCCn4cc[nH+]c4)n3n2)c1 ZINC000004902443 204174202 /nfs/dbraw/zinc/17/42/02/204174202.db2.gz PXUARCBASWICRI-UHFFFAOYSA-N 1 2 360.465 4.020 40 0 FIABLO COc1ccc(-c2nc(Nc3cccc(Cl)c3)cc(N)[nH+]2)cc1OC ZINC000049468158 205173328 /nfs/dbraw/zinc/17/33/28/205173328.db2.gz ADLUDFHOBYGIJY-UHFFFAOYSA-N 1 2 356.813 4.140 40 0 FIABLO COc1ccc(-c2nc(N)cc(Nc3cccc(Cl)c3)[nH+]2)cc1OC ZINC000049468158 205173332 /nfs/dbraw/zinc/17/33/32/205173332.db2.gz ADLUDFHOBYGIJY-UHFFFAOYSA-N 1 2 356.813 4.140 40 0 FIABLO Cc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000001350798 206148642 /nfs/dbraw/zinc/14/86/42/206148642.db2.gz IUIJAHSUMCGBLF-UHFFFAOYSA-N 1 2 358.489 4.395 40 0 FIABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000001380394 206149596 /nfs/dbraw/zinc/14/95/96/206149596.db2.gz KMLNASFUHFHTRY-UHFFFAOYSA-N 1 2 352.413 4.353 40 0 FIABLO O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959510 132283663 /nfs/dbraw/zinc/28/36/63/132283663.db2.gz DMUNNOQTDRZQDE-UHFFFAOYSA-N 1 2 364.898 4.272 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328984090 132372156 /nfs/dbraw/zinc/37/21/56/132372156.db2.gz HKRCSANQLLGOIV-GFCCVEGCSA-N 1 2 366.387 4.148 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328984090 132372157 /nfs/dbraw/zinc/37/21/57/132372157.db2.gz HKRCSANQLLGOIV-GFCCVEGCSA-N 1 2 366.387 4.148 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000329030336 132372771 /nfs/dbraw/zinc/37/27/71/132372771.db2.gz QCXZPFAFQZJUSQ-GFCCVEGCSA-N 1 2 361.287 4.012 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000329030336 132372772 /nfs/dbraw/zinc/37/27/72/132372772.db2.gz QCXZPFAFQZJUSQ-GFCCVEGCSA-N 1 2 361.287 4.012 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329024813 523963255 /nfs/dbraw/zinc/96/32/55/523963255.db2.gz PBQFZPBIYMJCKG-JTQLQIEISA-N 1 2 351.281 4.459 40 0 FIABLO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1 ZINC000226253216 536191457 /nfs/dbraw/zinc/19/14/57/536191457.db2.gz JDIYHHGIDMNIRP-UHFFFAOYSA-N 1 2 367.493 4.085 40 0 FIABLO COc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=[NH+]CCCCC1 ZINC000007276441 568231034 /nfs/dbraw/zinc/23/10/34/568231034.db2.gz JFUYJHOMHNPJFW-UHFFFAOYSA-N 1 2 354.425 4.496 40 0 FIABLO CCc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000025778594 568601140 /nfs/dbraw/zinc/60/11/40/568601140.db2.gz URPJKAYSQHUNCZ-RMKNXTFCSA-N 1 2 362.517 4.039 40 0 FIABLO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408564562 570558812 /nfs/dbraw/zinc/55/88/12/570558812.db2.gz WRRYRYMDHHMBEQ-XDJHFCHBSA-N 1 2 365.864 4.284 40 0 FIABLO c1csc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2nccs2)c1 ZINC000012221852 570729089 /nfs/dbraw/zinc/72/90/89/570729089.db2.gz MNKQBYHUMVNKHT-UHFFFAOYSA-N 1 2 368.491 4.027 40 0 FIABLO CCCCCN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635145 570781310 /nfs/dbraw/zinc/78/13/10/570781310.db2.gz WYFSPQWEIRVDOE-QHCPKHFHSA-N 1 2 359.473 4.094 40 0 FIABLO COc1ccc(OC)c(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1 ZINC000019551713 570892533 /nfs/dbraw/zinc/89/25/33/570892533.db2.gz CNXQLFFLZJWZPT-MRXNPFEDSA-N 1 2 360.504 4.295 40 0 FIABLO C[NH+](C)CCN(Cc1cccs1)Cc1cc(Cl)c(O)c(Cl)c1 ZINC000019582669 570895379 /nfs/dbraw/zinc/89/53/79/570895379.db2.gz BVIRENLABQAQEC-UHFFFAOYSA-N 1 2 359.322 4.324 40 0 FIABLO Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cccc(-n4cccn4)c3)c2c1 ZINC000019661106 570897333 /nfs/dbraw/zinc/89/73/33/570897333.db2.gz AREQNNJEFXWWKU-UHFFFAOYSA-N 1 2 372.428 4.055 40 0 FIABLO Cc1ccc([N@H+](C)CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224992723 571009293 /nfs/dbraw/zinc/00/92/93/571009293.db2.gz ZBTIWIFBBAWGJS-UHFFFAOYSA-N 1 2 374.912 4.449 40 0 FIABLO Cc1ccc([N@@H+](C)CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224992723 571009297 /nfs/dbraw/zinc/00/92/97/571009297.db2.gz ZBTIWIFBBAWGJS-UHFFFAOYSA-N 1 2 374.912 4.449 40 0 FIABLO O=C(Nc1cc(Cl)ccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030756191 571049812 /nfs/dbraw/zinc/04/98/12/571049812.db2.gz XCNCKUFCMNVKFZ-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030849670 571050922 /nfs/dbraw/zinc/05/09/22/571050922.db2.gz UDOIUOMZCFJEEF-CQSZACIVSA-N 1 2 371.893 4.323 40 0 FIABLO COc1ccccc1[C@H]1c2cc3c(cc2O[C@H]([NH+]2CCCC2)[C@@H]1C)OCO3 ZINC000031860835 571056055 /nfs/dbraw/zinc/05/60/55/571056055.db2.gz GUTQDDXXUDZPIR-GBSMKCJWSA-N 1 2 367.445 4.006 40 0 FIABLO FC(F)(F)c1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328965640 571105330 /nfs/dbraw/zinc/10/53/30/571105330.db2.gz CESNIYXZQLURCV-UHFFFAOYSA-N 1 2 368.790 4.188 40 0 FIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)ccc1Br ZINC000328966271 571105379 /nfs/dbraw/zinc/10/53/79/571105379.db2.gz CKSDREQKMOUWAN-UHFFFAOYSA-N 1 2 361.287 4.411 40 0 FIABLO CCNc1nc(Nc2c(C)ccc(Cl)c2C)cc(-c2ccccc2)[nH+]1 ZINC000328992532 571106516 /nfs/dbraw/zinc/10/65/16/571106516.db2.gz IWMBORCLGORHRQ-UHFFFAOYSA-N 1 2 352.869 4.433 40 0 FIABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329026145 571107623 /nfs/dbraw/zinc/10/76/23/571107623.db2.gz PJYAYXJFIONKAA-UHFFFAOYSA-N 1 2 364.371 4.301 40 0 FIABLO CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329022094 571107714 /nfs/dbraw/zinc/10/77/14/571107714.db2.gz OJZAQLVAIOSHJF-UHFFFAOYSA-N 1 2 359.260 4.470 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329030207 571107939 /nfs/dbraw/zinc/10/79/39/571107939.db2.gz QCFBMCDGZXWWHI-SNVBAGLBSA-N 1 2 368.378 4.310 40 0 FIABLO CC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329050776 571108650 /nfs/dbraw/zinc/10/86/50/571108650.db2.gz UUVLJJTVRVPTLA-OAHLLOKOSA-N 1 2 366.896 4.463 40 0 FIABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@@H+]2Cc2cncs2)n1 ZINC000257207877 571150202 /nfs/dbraw/zinc/15/02/02/571150202.db2.gz BJSZPUKUQYLIQP-HNNXBMFYSA-N 1 2 372.523 4.169 40 0 FIABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@H+]2Cc2cncs2)n1 ZINC000257207877 571150204 /nfs/dbraw/zinc/15/02/04/571150204.db2.gz BJSZPUKUQYLIQP-HNNXBMFYSA-N 1 2 372.523 4.169 40 0 FIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3scnc3C)o2)cc1 ZINC000257242026 571153639 /nfs/dbraw/zinc/15/36/39/571153639.db2.gz IASNJNSJVBNJON-SFHVURJKSA-N 1 2 369.490 4.376 40 0 FIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3scnc3C)o2)cc1 ZINC000257242026 571153640 /nfs/dbraw/zinc/15/36/40/571153640.db2.gz IASNJNSJVBNJON-SFHVURJKSA-N 1 2 369.490 4.376 40 0 FIABLO Cc1nnc(Nc2cc([C@H]3CCC[N@@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072360104 571184371 /nfs/dbraw/zinc/18/43/71/571184371.db2.gz DLVMRIBRESXURI-QGZVFWFLSA-N 1 2 366.494 4.026 40 0 FIABLO Cc1nnc(Nc2cc([C@H]3CCC[N@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072360104 571184373 /nfs/dbraw/zinc/18/43/73/571184373.db2.gz DLVMRIBRESXURI-QGZVFWFLSA-N 1 2 366.494 4.026 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000072378399 571186957 /nfs/dbraw/zinc/18/69/57/571186957.db2.gz KRLJLVAKJRBEEU-UHFFFAOYSA-N 1 2 374.488 4.411 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072378954 571187440 /nfs/dbraw/zinc/18/74/40/571187440.db2.gz BQNILZGURGKZIF-GOSISDBHSA-N 1 2 366.509 4.287 40 0 FIABLO [NH3+][C@@H](c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095534002 571331481 /nfs/dbraw/zinc/33/14/81/571331481.db2.gz JCECQRFLSKHIGB-CYBMUJFWSA-N 1 2 352.747 4.192 40 0 FIABLO c1ccc(CCNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328961093 203844540 /nfs/dbraw/zinc/84/45/40/203844540.db2.gz BBNWMEIKRYKDFX-UHFFFAOYSA-N 1 2 372.516 4.387 40 0 FIABLO CC(C)(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329065093 203849552 /nfs/dbraw/zinc/84/95/52/203849552.db2.gz XPDORVYIYPZMGY-UHFFFAOYSA-N 1 2 367.884 4.436 40 0 FIABLO Fc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)c(F)c1 ZINC000043277835 205102708 /nfs/dbraw/zinc/10/27/08/205102708.db2.gz BXVSDZIBSBFZCX-UHFFFAOYSA-N 1 2 359.395 4.393 40 0 FIABLO Fc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)c(F)c1 ZINC000043277835 205102712 /nfs/dbraw/zinc/10/27/12/205102712.db2.gz BXVSDZIBSBFZCX-UHFFFAOYSA-N 1 2 359.395 4.393 40 0 FIABLO Fc1ccc(CN(CCCn2cc[nH+]c2)Cc2ccccc2F)c(F)c1 ZINC000043277835 205102716 /nfs/dbraw/zinc/10/27/16/205102716.db2.gz BXVSDZIBSBFZCX-UHFFFAOYSA-N 1 2 359.395 4.393 40 0 FIABLO CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000057301801 205236469 /nfs/dbraw/zinc/23/64/69/205236469.db2.gz XVELDBZHBLEZHS-ONTIZHBOSA-N 1 2 353.462 4.465 40 0 FIABLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(c2cccc(F)c2)CCCC1 ZINC000004908377 206185058 /nfs/dbraw/zinc/18/50/58/206185058.db2.gz BRVBOSWUDFXXSA-UHFFFAOYSA-N 1 2 365.452 4.324 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1C ZINC000226253031 132249767 /nfs/dbraw/zinc/24/97/67/132249767.db2.gz AQNSSINCUFYNAQ-QGZVFWFLSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1C ZINC000226253031 132249771 /nfs/dbraw/zinc/24/97/71/132249771.db2.gz AQNSSINCUFYNAQ-QGZVFWFLSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000219863124 132275153 /nfs/dbraw/zinc/27/51/53/132275153.db2.gz DLZYTAAJSSXZCP-UHFFFAOYSA-N 1 2 366.505 4.315 40 0 FIABLO C[C@@H]1C[C@@H](C)CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C1 ZINC000057761943 136130207 /nfs/dbraw/zinc/13/02/07/136130207.db2.gz DLVCWVSJJCRBNK-ZIAGYGMSSA-N 1 2 351.429 4.155 40 0 FIABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215977 570533509 /nfs/dbraw/zinc/53/35/09/570533509.db2.gz FSCKMFCDTGHPFP-LJQANCHMSA-N 1 2 351.450 4.156 40 0 FIABLO CC[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115015 570719177 /nfs/dbraw/zinc/71/91/77/570719177.db2.gz UEEUZEVBQVDJBV-APWZRJJASA-N 1 2 369.415 4.098 40 0 FIABLO O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1C[NH+]1CCCCC1 ZINC000016383667 570855437 /nfs/dbraw/zinc/85/54/37/570855437.db2.gz KWNFFALSFBDKBR-ZROIWOOFSA-N 1 2 371.289 4.473 40 0 FIABLO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2c1ccc(F)cc1 ZINC000019562609 570893606 /nfs/dbraw/zinc/89/36/06/570893606.db2.gz PSUMRAXQWOXPDV-SFTDATJTSA-N 1 2 364.420 4.214 40 0 FIABLO CCc1[nH+]ccn1[C@H](C)C(=O)Nc1ccc2nc(Cc3ccccc3)[nH]c2c1 ZINC000019718528 570900247 /nfs/dbraw/zinc/90/02/47/570900247.db2.gz ZNDHUDONAVFREU-OAHLLOKOSA-N 1 2 373.460 4.112 40 0 FIABLO Fc1ccc(COc2ccc(CNC(=S)Nc3cc[nH+]cc3)cc2)cc1 ZINC000225535674 571044147 /nfs/dbraw/zinc/04/41/47/571044147.db2.gz ZSPQJADMBJTVAQ-UHFFFAOYSA-N 1 2 367.449 4.286 40 0 FIABLO S=C(NCCCSCc1ccc(Cl)cc1)Nc1cc[nH+]cc1 ZINC000225611049 571049608 /nfs/dbraw/zinc/04/96/08/571049608.db2.gz ODBRIBKENUINQN-UHFFFAOYSA-N 1 2 351.928 4.345 40 0 FIABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961048 571104935 /nfs/dbraw/zinc/10/49/35/571104935.db2.gz BAMUKCYKUNBMID-CQSZACIVSA-N 1 2 368.431 4.088 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc(OC)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329005951 571107202 /nfs/dbraw/zinc/10/72/02/571107202.db2.gz LBGCJNNYFGWZBM-AWEZNQCLSA-N 1 2 366.440 4.089 40 0 FIABLO CCNc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccccc2)[nH+]1 ZINC000329026141 571107605 /nfs/dbraw/zinc/10/76/05/571107605.db2.gz PJXYCIHSDIDCFV-UHFFFAOYSA-N 1 2 361.474 4.081 40 0 FIABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329030233 571107859 /nfs/dbraw/zinc/10/78/59/571107859.db2.gz QCIVCQYZAYDGKH-UHFFFAOYSA-N 1 2 366.415 4.364 40 0 FIABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329035799 571108291 /nfs/dbraw/zinc/10/82/91/571108291.db2.gz RFLKXFWRLKXKSH-UHFFFAOYSA-N 1 2 359.271 4.165 40 0 FIABLO CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329053956 571108832 /nfs/dbraw/zinc/10/88/32/571108832.db2.gz VIMGXRQWEIIBJL-UHFFFAOYSA-N 1 2 359.260 4.470 40 0 FIABLO CNc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329064747 571109442 /nfs/dbraw/zinc/10/94/42/571109442.db2.gz XMUHBUOERASHMF-UHFFFAOYSA-N 1 2 369.266 4.422 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329067254 571109481 /nfs/dbraw/zinc/10/94/81/571109481.db2.gz YHAATWIEMPQVKW-NSHDSACASA-N 1 2 350.388 4.171 40 0 FIABLO FC(F)Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000329067354 571109508 /nfs/dbraw/zinc/10/95/08/571109508.db2.gz YIFAXGHPHVXOIQ-UHFFFAOYSA-N 1 2 368.387 4.485 40 0 FIABLO Cc1nc(N2CC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cc[nH+]1 ZINC000257289517 571158672 /nfs/dbraw/zinc/15/86/72/571158672.db2.gz PYZBGAVNFDHPIM-OAHLLOKOSA-N 1 2 354.841 4.011 40 0 FIABLO Fc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257302948 571159867 /nfs/dbraw/zinc/15/98/67/571159867.db2.gz SFCPIIFRFMWWTE-HSZRJFAPSA-N 1 2 362.448 4.385 40 0 FIABLO Fc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257302948 571159868 /nfs/dbraw/zinc/15/98/68/571159868.db2.gz SFCPIIFRFMWWTE-HSZRJFAPSA-N 1 2 362.448 4.385 40 0 FIABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cncs2)nc(C)n1 ZINC000257327383 571162423 /nfs/dbraw/zinc/16/24/23/571162423.db2.gz XBCTXKPYJHCLLO-QGZVFWFLSA-N 1 2 366.494 4.026 40 0 FIABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cncs2)nc(C)n1 ZINC000257327383 571162425 /nfs/dbraw/zinc/16/24/25/571162425.db2.gz XBCTXKPYJHCLLO-QGZVFWFLSA-N 1 2 366.494 4.026 40 0 FIABLO COc1cccc(OC)c1C[NH2+][C@@H](Cc1cccs1)c1nccs1 ZINC000019567133 204692193 /nfs/dbraw/zinc/69/21/93/204692193.db2.gz SRJIUSRSQHHLEP-HNNXBMFYSA-N 1 2 360.504 4.295 40 0 FIABLO CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH+]c3ccccc3n2C)C[C@H]1C(C)C ZINC000072320874 205031045 /nfs/dbraw/zinc/03/10/45/205031045.db2.gz KBDAJXZXXKTACM-FHWLQOOXSA-N 1 2 353.510 4.107 40 0 biogenic,in-vitro FIABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000001380401 206149885 /nfs/dbraw/zinc/14/98/85/206149885.db2.gz VYRZLHFAJGKNDA-UHFFFAOYSA-N 1 2 355.388 4.100 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCc1ccc(F)cc1)C3 ZINC000013563795 206305029 /nfs/dbraw/zinc/30/50/29/206305029.db2.gz CLWARADBYAGGOD-UHFFFAOYSA-N 1 2 350.437 4.428 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCc1ccc(F)cc1)C3 ZINC000013563795 206305031 /nfs/dbraw/zinc/30/50/31/206305031.db2.gz CLWARADBYAGGOD-UHFFFAOYSA-N 1 2 350.437 4.428 40 0 FIABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000226254971 132250540 /nfs/dbraw/zinc/25/05/40/132250540.db2.gz KFIPRFOWWPWECI-UHFFFAOYSA-N 1 2 374.282 4.274 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)cc1 ZINC000219860268 132275224 /nfs/dbraw/zinc/27/52/24/132275224.db2.gz VRKXZWGFRSADNS-UHFFFAOYSA-N 1 2 366.505 4.315 40 0 FIABLO Cc1cc(C)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c(C)c1 ZINC000224951717 132283779 /nfs/dbraw/zinc/28/37/79/132283779.db2.gz SPXUDMRRKFTKRK-UHFFFAOYSA-N 1 2 358.507 4.403 40 0 FIABLO Cc1nc(N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)cc[nH+]1 ZINC000257272838 132296335 /nfs/dbraw/zinc/29/63/35/132296335.db2.gz NECARJXIWBZXIT-UHFFFAOYSA-N 1 2 366.440 4.061 40 0 FIABLO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226253192 536191321 /nfs/dbraw/zinc/19/13/21/536191321.db2.gz NGVIFTCDKCEWLB-MRXNPFEDSA-N 1 2 367.493 4.228 40 0 FIABLO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226253192 536191323 /nfs/dbraw/zinc/19/13/23/536191323.db2.gz NGVIFTCDKCEWLB-MRXNPFEDSA-N 1 2 367.493 4.228 40 0 FIABLO CCN(C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212746 570528085 /nfs/dbraw/zinc/52/80/85/570528085.db2.gz MUBKZNNFEKYGCO-IBGZPJMESA-N 1 2 353.466 4.402 40 0 FIABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1c1cc(C)on1 ZINC000012185854 570724792 /nfs/dbraw/zinc/72/47/92/570724792.db2.gz ZZELSHPJBPILIR-QGZVFWFLSA-N 1 2 360.454 4.126 40 0 FIABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@@H]1c1cc(C)on1 ZINC000012185854 570724796 /nfs/dbraw/zinc/72/47/96/570724796.db2.gz ZZELSHPJBPILIR-QGZVFWFLSA-N 1 2 360.454 4.126 40 0 FIABLO CCC[C@H]1C(=O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000013786532 570791095 /nfs/dbraw/zinc/79/10/95/570791095.db2.gz XVELDBZHBLEZHS-TUNNFDKTSA-N 1 2 353.462 4.465 40 0 FIABLO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)c(OC)c1OC ZINC000019119402 570880332 /nfs/dbraw/zinc/88/03/32/570880332.db2.gz ALYNWEOLOLLCOH-KRWDZBQOSA-N 1 2 360.454 4.126 40 0 FIABLO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)c(OC)c1OC ZINC000019119402 570880335 /nfs/dbraw/zinc/88/03/35/570880335.db2.gz ALYNWEOLOLLCOH-KRWDZBQOSA-N 1 2 360.454 4.126 40 0 FIABLO COc1c(C)cccc1C[N@@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000019235996 570882984 /nfs/dbraw/zinc/88/29/84/570882984.db2.gz MZFBGKFKAUNESF-UHFFFAOYSA-N 1 2 367.424 4.433 40 0 FIABLO COc1c(C)cccc1C[N@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000019235996 570882987 /nfs/dbraw/zinc/88/29/87/570882987.db2.gz MZFBGKFKAUNESF-UHFFFAOYSA-N 1 2 367.424 4.433 40 0 FIABLO CCCC1N(Cc2ccc(OC)cc2)CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000019319441 570885859 /nfs/dbraw/zinc/88/58/59/570885859.db2.gz BKZFCBJHCACQAF-UHFFFAOYSA-N 1 2 354.494 4.148 40 0 FIABLO CCCC1N(Cc2ccc(OC)cc2)CC[N@H+]1Cc1ccc(OC)cc1 ZINC000019319441 570885864 /nfs/dbraw/zinc/88/58/64/570885864.db2.gz BKZFCBJHCACQAF-UHFFFAOYSA-N 1 2 354.494 4.148 40 0 FIABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[NH2+][C@H](c1ccccn1)C2 ZINC000019550748 570892749 /nfs/dbraw/zinc/89/27/49/570892749.db2.gz CHBFKWHTKYQGAU-UGKGYDQZSA-N 1 2 364.420 4.214 40 0 FIABLO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)n1 ZINC000019573123 570894575 /nfs/dbraw/zinc/89/45/75/570894575.db2.gz FRTOLFWLSZQALR-OAHLLOKOSA-N 1 2 353.470 4.100 40 0 FIABLO CCOc1ccc(C(=O)NCCC[N@H+](CC)c2ccccc2)cc1OCC ZINC000225067130 571013055 /nfs/dbraw/zinc/01/30/55/571013055.db2.gz VFLMGJYMQGWROD-UHFFFAOYSA-N 1 2 370.493 4.130 40 0 FIABLO CCOc1ccc(C(=O)NCCC[N@@H+](CC)c2ccccc2)cc1OCC ZINC000225067130 571013058 /nfs/dbraw/zinc/01/30/58/571013058.db2.gz VFLMGJYMQGWROD-UHFFFAOYSA-N 1 2 370.493 4.130 40 0 FIABLO O=C(Nc1ccc(Br)cc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030938605 571052808 /nfs/dbraw/zinc/05/28/08/571052808.db2.gz VHWPOUBPEAGYNJ-UHFFFAOYSA-N 1 2 374.213 4.085 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328967919 571105339 /nfs/dbraw/zinc/10/53/39/571105339.db2.gz CWGSKAOOYWJWRH-NSHDSACASA-N 1 2 366.387 4.050 40 0 FIABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC(C)(C)C)n1 ZINC000328989709 571106309 /nfs/dbraw/zinc/10/63/09/571106309.db2.gz ILRLJRFEBBVEQB-UHFFFAOYSA-N 1 2 354.376 4.106 40 0 FIABLO CNc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329013099 571107110 /nfs/dbraw/zinc/10/71/10/571107110.db2.gz MOLXHIFPQSNUGW-UHFFFAOYSA-N 1 2 358.367 4.100 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329071087 571109845 /nfs/dbraw/zinc/10/98/45/571109845.db2.gz ZMXPVIMEXQJFBS-NSHDSACASA-N 1 2 366.387 4.050 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)s1 ZINC000257280767 571157827 /nfs/dbraw/zinc/15/78/27/571157827.db2.gz OMHFGFYPKKTDHL-OAQYLSRUSA-N 1 2 365.502 4.011 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)s1 ZINC000257280767 571157829 /nfs/dbraw/zinc/15/78/29/571157829.db2.gz OMHFGFYPKKTDHL-OAQYLSRUSA-N 1 2 365.502 4.011 40 0 FIABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3CCc3ccccc3)n2)n1 ZINC000072377578 571186383 /nfs/dbraw/zinc/18/63/83/571186383.db2.gz HZJGSFMDOKWYKT-KRWDZBQOSA-N 1 2 351.479 4.056 40 0 FIABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3CCc3ccccc3)n2)n1 ZINC000072377578 571186386 /nfs/dbraw/zinc/18/63/86/571186386.db2.gz HZJGSFMDOKWYKT-KRWDZBQOSA-N 1 2 351.479 4.056 40 0 FIABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000072390166 571189594 /nfs/dbraw/zinc/18/95/94/571189594.db2.gz RUAOCHLAMNLDQJ-HNNXBMFYSA-N 1 2 371.462 4.152 40 0 FIABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000072390166 571189597 /nfs/dbraw/zinc/18/95/97/571189597.db2.gz RUAOCHLAMNLDQJ-HNNXBMFYSA-N 1 2 371.462 4.152 40 0 FIABLO CC(C)(C)c1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095534037 571331433 /nfs/dbraw/zinc/33/14/33/571331433.db2.gz BRJWDKSQFPURIP-SFHVURJKSA-N 1 2 370.884 4.383 40 0 FIABLO [NH3+][C@H](c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095534003 571331515 /nfs/dbraw/zinc/33/15/15/571331515.db2.gz JCECQRFLSKHIGB-ZDUSSCGKSA-N 1 2 352.747 4.192 40 0 FIABLO CC[C@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961047 203844776 /nfs/dbraw/zinc/84/47/76/203844776.db2.gz BAMUKCYKUNBMID-AWEZNQCLSA-N 1 2 368.431 4.088 40 0 FIABLO O=C(Nc1nnc(C2CCCCC2)s1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000035322738 204239362 /nfs/dbraw/zinc/23/93/62/204239362.db2.gz LNQAQJXDHZKKNW-QGZVFWFLSA-N 1 2 370.522 4.361 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCc1cccc(F)c1)C3 ZINC000013563800 206304370 /nfs/dbraw/zinc/30/43/70/206304370.db2.gz NMAPXZCQWMJCIU-UHFFFAOYSA-N 1 2 350.437 4.428 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCc1cccc(F)c1)C3 ZINC000013563800 206304373 /nfs/dbraw/zinc/30/43/73/206304373.db2.gz NMAPXZCQWMJCIU-UHFFFAOYSA-N 1 2 350.437 4.428 40 0 FIABLO c1ccc([C@@H](c2nnnn2C2CCCCC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019369604 206326111 /nfs/dbraw/zinc/32/61/11/206326111.db2.gz KVYFDZZDTHTMTP-QFIPXVFZSA-N 1 2 373.504 4.326 40 0 FIABLO c1ccc([C@@H](c2nnnn2C2CCCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000019369604 206326116 /nfs/dbraw/zinc/32/61/16/206326116.db2.gz KVYFDZZDTHTMTP-QFIPXVFZSA-N 1 2 373.504 4.326 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000219859209 132274966 /nfs/dbraw/zinc/27/49/66/132274966.db2.gz OHOTXFMIQLWDSI-IBGZPJMESA-N 1 2 350.506 4.349 40 0 FIABLO CC[C@@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000219863720 132275149 /nfs/dbraw/zinc/27/51/49/132275149.db2.gz CEPZMECHBHQONH-JOCHJYFZSA-N 1 2 366.505 4.488 40 0 FIABLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238557 263379157 /nfs/dbraw/zinc/37/91/57/263379157.db2.gz ODJBPWCOHXCUEX-INIZCTEOSA-N 1 2 374.937 4.165 40 0 FIABLO CC[C@H](C)Nc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213520 570529294 /nfs/dbraw/zinc/52/92/94/570529294.db2.gz SGJAZVYCQREVFE-LPHOPBHVSA-N 1 2 373.522 4.126 40 0 FIABLO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)c(O)c(Cl)c2)on1 ZINC000012366528 570739299 /nfs/dbraw/zinc/73/92/99/570739299.db2.gz WNKJDOGXASHUOD-BLLLJJGKSA-N 1 2 355.265 4.496 40 0 FIABLO Fc1cccc(CN(CCCn2cc[nH+]c2)Cc2ccccc2F)c1F ZINC000019348701 570886849 /nfs/dbraw/zinc/88/68/49/570886849.db2.gz ANXWSYHWNBAEHB-UHFFFAOYSA-N 1 2 359.395 4.393 40 0 FIABLO Cc1noc2nc(C)cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)[nH+]c4c3)c12 ZINC000019662730 570897877 /nfs/dbraw/zinc/89/78/77/570897877.db2.gz DTSLBHSAQBFICO-UHFFFAOYSA-N 1 2 363.421 4.266 40 0 FIABLO Cc1noc(CCC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C2CCCCC2)n1 ZINC000019665196 570897902 /nfs/dbraw/zinc/89/79/02/570897902.db2.gz PLWLQCLVOPRMSL-UHFFFAOYSA-N 1 2 367.453 4.113 40 0 FIABLO Cc1nn(C[C@H](C)c2cc(NCc3cccc(F)c3)nc(C)[nH+]2)c(C)c1C ZINC000019717876 570900415 /nfs/dbraw/zinc/90/04/15/570900415.db2.gz CAXVLIDJSSZXPI-ZDUSSCGKSA-N 1 2 367.472 4.462 40 0 FIABLO O[C@]1(c2ccccc2)c2ccccc2C(c2ccccc2)=C1[NH+]1CCOCC1 ZINC000031947467 571056340 /nfs/dbraw/zinc/05/63/40/571056340.db2.gz OJLGLKHAXVIPKQ-RUZDIDTESA-N 1 2 369.464 4.028 40 0 FIABLO c1csc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328972125 571105731 /nfs/dbraw/zinc/10/57/31/571105731.db2.gz DTLLTIDTCVNQLR-UHFFFAOYSA-N 1 2 350.491 4.016 40 0 FIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1Cl ZINC000329016432 571107373 /nfs/dbraw/zinc/10/73/73/571107373.db2.gz NGJUIDMCYAGXPY-QGZVFWFLSA-N 1 2 360.889 4.488 40 0 FIABLO CC(C)(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329058364 571109003 /nfs/dbraw/zinc/10/90/03/571109003.db2.gz WCISRTWZVHODAI-UHFFFAOYSA-N 1 2 369.419 4.061 40 0 FIABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cscn2)ccn1 ZINC000257229211 571152466 /nfs/dbraw/zinc/15/24/66/571152466.db2.gz FXEZZSVIHBQDKQ-KRWDZBQOSA-N 1 2 351.479 4.322 40 0 FIABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cscn2)ccn1 ZINC000257229211 571152469 /nfs/dbraw/zinc/15/24/69/571152469.db2.gz FXEZZSVIHBQDKQ-KRWDZBQOSA-N 1 2 351.479 4.322 40 0 FIABLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377424 571186066 /nfs/dbraw/zinc/18/60/66/571186066.db2.gz AUVTYNFTVXXNMB-MRXNPFEDSA-N 1 2 355.442 4.153 40 0 FIABLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377424 571186067 /nfs/dbraw/zinc/18/60/67/571186067.db2.gz AUVTYNFTVXXNMB-MRXNPFEDSA-N 1 2 355.442 4.153 40 0 FIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000226261182 571275966 /nfs/dbraw/zinc/27/59/66/571275966.db2.gz OBFTXUDMJNWIDT-UHFFFAOYSA-N 1 2 362.271 4.130 40 0 FIABLO O=c1c2ccccc2nc(C[NH+]2CCCCC2)n1-c1ccccc1Cl ZINC000003030913 204074696 /nfs/dbraw/zinc/07/46/96/204074696.db2.gz JEPZPAWFKVTDQO-UHFFFAOYSA-N 1 2 353.853 4.025 40 0 FIABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000004847728 204168810 /nfs/dbraw/zinc/16/88/10/204168810.db2.gz BJGHTBLWPFMQBA-KRWDZBQOSA-N 1 2 361.921 4.293 40 0 FIABLO COc1ccc(-c2nc(Nc3cc(C)cc(C)c3)cc(N)[nH+]2)cc1OC ZINC000049468145 205172553 /nfs/dbraw/zinc/17/25/53/205172553.db2.gz CJSMMRJQBJKBPM-UHFFFAOYSA-N 1 2 350.422 4.103 40 0 FIABLO COc1ccc(-c2nc(N)cc(Nc3cc(C)cc(C)c3)[nH+]2)cc1OC ZINC000049468145 205172558 /nfs/dbraw/zinc/17/25/58/205172558.db2.gz CJSMMRJQBJKBPM-UHFFFAOYSA-N 1 2 350.422 4.103 40 0 FIABLO CCOc1ccc(Nc2cc(N)nc(-c3ccc(OCC)cc3)[nH+]2)cc1 ZINC000049468082 205172713 /nfs/dbraw/zinc/17/27/13/205172713.db2.gz ZUQVSDJGURRKMO-UHFFFAOYSA-N 1 2 350.422 4.267 40 0 FIABLO CCOc1ccc(Nc2cc(N)[nH+]c(-c3ccc(OCC)cc3)n2)cc1 ZINC000049468082 205172717 /nfs/dbraw/zinc/17/27/17/205172717.db2.gz ZUQVSDJGURRKMO-UHFFFAOYSA-N 1 2 350.422 4.267 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378885 205522483 /nfs/dbraw/zinc/52/24/83/205522483.db2.gz VQMQWVGQTKFCOU-HXUWFJFHSA-N 1 2 374.488 4.297 40 0 FIABLO CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243535440 206120590 /nfs/dbraw/zinc/12/05/90/206120590.db2.gz OFUFGOREEYZUIS-UHFFFAOYSA-N 1 2 359.433 4.420 40 0 FIABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000001380414 206149498 /nfs/dbraw/zinc/14/94/98/206149498.db2.gz GOIBRRCSPJDWFA-UHFFFAOYSA-N 1 2 373.378 4.239 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328984091 132372199 /nfs/dbraw/zinc/37/21/99/132372199.db2.gz HKRCSANQLLGOIV-LBPRGKRZSA-N 1 2 366.387 4.148 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328984091 132372200 /nfs/dbraw/zinc/37/22/00/132372200.db2.gz HKRCSANQLLGOIV-LBPRGKRZSA-N 1 2 366.387 4.148 40 0 FIABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1[nH]nc2c1CCCC2 ZINC000012147146 570722629 /nfs/dbraw/zinc/72/26/29/570722629.db2.gz GEGPHAQJZNNLCU-UHFFFAOYSA-N 1 2 363.509 4.031 40 0 FIABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1[nH]nc2c1CCCC2 ZINC000012147146 570722633 /nfs/dbraw/zinc/72/26/33/570722633.db2.gz GEGPHAQJZNNLCU-UHFFFAOYSA-N 1 2 363.509 4.031 40 0 FIABLO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)cc(OC)c1OC ZINC000019119380 570880314 /nfs/dbraw/zinc/88/03/14/570880314.db2.gz XNSHGRXKUUTVRQ-QGZVFWFLSA-N 1 2 360.454 4.126 40 0 FIABLO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)cc(OC)c1OC ZINC000019119380 570880317 /nfs/dbraw/zinc/88/03/17/570880317.db2.gz XNSHGRXKUUTVRQ-QGZVFWFLSA-N 1 2 360.454 4.126 40 0 FIABLO Cc1ccc(-c2c[nH]n3c2nc([C@H](C)n2cc[nH+]c2C(C)C)cc3=O)cc1 ZINC000019212931 570881724 /nfs/dbraw/zinc/88/17/24/570881724.db2.gz YWGRCYASQCMFFY-HNNXBMFYSA-N 1 2 361.449 4.340 40 0 FIABLO CC(C)c1[nH+]ccn1[C@H](C)c1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1 ZINC000019454341 570889689 /nfs/dbraw/zinc/88/96/89/570889689.db2.gz CYYCEZFKUDKQRX-CYBMUJFWSA-N 1 2 365.412 4.170 40 0 FIABLO CCn1c2ccc(NC(=O)c3ccc(C(C)C)[nH]c3=O)cc2[nH+]c1C(C)C ZINC000019524257 570891631 /nfs/dbraw/zinc/89/16/31/570891631.db2.gz QXYHNASCNROBBQ-UHFFFAOYSA-N 1 2 366.465 4.244 40 0 FIABLO CCCn1c(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)nc2ccccc21 ZINC000019526001 570891675 /nfs/dbraw/zinc/89/16/75/570891675.db2.gz PKAXSLWVTGFPSL-LJQANCHMSA-N 1 2 364.493 4.023 40 0 FIABLO CCCn1c(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)nc2ccccc21 ZINC000019526001 570891678 /nfs/dbraw/zinc/89/16/78/570891678.db2.gz PKAXSLWVTGFPSL-LJQANCHMSA-N 1 2 364.493 4.023 40 0 FIABLO COc1ccc(OC)c(C[NH2+][C@H](Cc2cccs2)c2nccs2)c1 ZINC000019551709 570892591 /nfs/dbraw/zinc/89/25/91/570892591.db2.gz CJVAATPSZBXOCV-MRXNPFEDSA-N 1 2 360.504 4.295 40 0 FIABLO CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000022523368 570945474 /nfs/dbraw/zinc/94/54/74/570945474.db2.gz ASDUFIFXVRYIHR-MDWZMJQESA-N 1 2 359.473 4.499 40 0 FIABLO CC(C)Oc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225454862 571036659 /nfs/dbraw/zinc/03/66/59/571036659.db2.gz NICFZAGPKZOGFR-UHFFFAOYSA-N 1 2 366.490 4.146 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328969974 571105694 /nfs/dbraw/zinc/10/56/94/571105694.db2.gz DHQJPDCFUFROPG-GFCCVEGCSA-N 1 2 364.415 4.479 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328991214 571106631 /nfs/dbraw/zinc/10/66/31/571106631.db2.gz ISDMPIRNLREXDS-SECBINFHSA-N 1 2 367.280 4.164 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(C2CC2)[nH+]1 ZINC000329043049 571108482 /nfs/dbraw/zinc/10/84/82/571108482.db2.gz SQFBZIGXQDYMFT-LLVKDONJSA-N 1 2 353.495 4.070 40 0 FIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1C(F)(F)F ZINC000329072566 571109805 /nfs/dbraw/zinc/10/98/05/571109805.db2.gz ZZTZWOGPGXRHAD-UHFFFAOYSA-N 1 2 350.388 4.089 40 0 FIABLO Cc1cc(N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)nc[nH+]1 ZINC000257243775 571153536 /nfs/dbraw/zinc/15/35/36/571153536.db2.gz IIMSZHWCMLDYEQ-KRWDZBQOSA-N 1 2 354.841 4.359 40 0 FIABLO Cc1nc(N2CC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc[nH+]1 ZINC000257273306 571156888 /nfs/dbraw/zinc/15/68/88/571156888.db2.gz NGBLDFTWCUONAD-OAHLLOKOSA-N 1 2 354.841 4.011 40 0 FIABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377604 571186403 /nfs/dbraw/zinc/18/64/03/571186403.db2.gz WDMRTWJISRSOKZ-KRWDZBQOSA-N 1 2 366.856 4.001 40 0 FIABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377604 571186406 /nfs/dbraw/zinc/18/64/06/571186406.db2.gz WDMRTWJISRSOKZ-KRWDZBQOSA-N 1 2 366.856 4.001 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378884 571187388 /nfs/dbraw/zinc/18/73/88/571187388.db2.gz VQMQWVGQTKFCOU-FQEVSTJZSA-N 1 2 374.488 4.297 40 0 FIABLO CC(C)n1ccc2c1C[N@@H+](C1CCC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306129099 571213368 /nfs/dbraw/zinc/21/33/68/571213368.db2.gz HUNJUDCDBLASAO-UHFFFAOYSA-N 1 2 361.493 4.244 40 0 FIABLO CC(C)n1ccc2c1C[N@H+](C1CCC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306129099 571213369 /nfs/dbraw/zinc/21/33/69/571213369.db2.gz HUNJUDCDBLASAO-UHFFFAOYSA-N 1 2 361.493 4.244 40 0 FIABLO CN(C)c1ccc(/C=C/C=[NH+]/NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000006948723 571297504 /nfs/dbraw/zinc/29/75/04/571297504.db2.gz ZMGJMQJBKAWORL-WYYKBDRYSA-N 1 2 373.909 4.314 40 0 FIABLO CC[C@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000219863755 132275195 /nfs/dbraw/zinc/27/51/95/132275195.db2.gz CEPZMECHBHQONH-QFIPXVFZSA-N 1 2 366.505 4.488 40 0 FIABLO Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000328972138 132372171 /nfs/dbraw/zinc/37/21/71/132372171.db2.gz DTVUEHSTGWDIJK-MRXNPFEDSA-N 1 2 360.461 4.145 40 0 FIABLO COc1ccc2[nH+]c3n(c2c1)CN(Cc1ccccc1)CN3Cc1ccco1 ZINC000007496222 263351528 /nfs/dbraw/zinc/35/15/28/263351528.db2.gz URVMVDAEGVTUCW-UHFFFAOYSA-N 1 2 374.444 4.075 40 0 FIABLO Cc1[nH+]c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c2sccn12 ZINC000257294250 534553093 /nfs/dbraw/zinc/55/30/93/534553093.db2.gz QTFLUKQMOWCLIR-INIZCTEOSA-N 1 2 357.454 4.140 40 0 FIABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000329072398 535325595 /nfs/dbraw/zinc/32/55/95/535325595.db2.gz ZXMJVGUXSIBWNY-UHFFFAOYSA-N 1 2 366.509 4.011 40 0 FIABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000329072398 535325602 /nfs/dbraw/zinc/32/56/02/535325602.db2.gz ZXMJVGUXSIBWNY-UHFFFAOYSA-N 1 2 366.509 4.011 40 0 FIABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213410 570529291 /nfs/dbraw/zinc/52/92/91/570529291.db2.gz GUKXKLXWYDJDDO-QFBILLFUSA-N 1 2 373.522 4.126 40 0 FIABLO CC[NH+](CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccc(Cl)cc1 ZINC000004848723 570669858 /nfs/dbraw/zinc/66/98/58/570669858.db2.gz SQRJSPLEIPFKSN-UHFFFAOYSA-N 1 2 364.898 4.221 40 0 FIABLO C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019498290 570890131 /nfs/dbraw/zinc/89/01/31/570890131.db2.gz BAFLHSVNEPUKFN-MRXNPFEDSA-N 1 2 370.456 4.172 40 0 FIABLO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1OC ZINC000019568132 570894137 /nfs/dbraw/zinc/89/41/37/570894137.db2.gz RBMTXDIUEFCTNZ-OAHLLOKOSA-N 1 2 360.504 4.295 40 0 FIABLO C[N@H+](Cc1cnn(C2CCCCC2)c1)Cc1nnc(-c2ccccc2)o1 ZINC000019586611 570895327 /nfs/dbraw/zinc/89/53/27/570895327.db2.gz UKJXFCHVWAECSN-UHFFFAOYSA-N 1 2 351.454 4.070 40 0 FIABLO C[N@@H+](Cc1cnn(C2CCCCC2)c1)Cc1nnc(-c2ccccc2)o1 ZINC000019586611 570895329 /nfs/dbraw/zinc/89/53/29/570895329.db2.gz UKJXFCHVWAECSN-UHFFFAOYSA-N 1 2 351.454 4.070 40 0 FIABLO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000028211000 571001761 /nfs/dbraw/zinc/00/17/61/571001761.db2.gz IRIYYNVBCQLLKV-RMKNXTFCSA-N 1 2 374.406 4.177 40 0 FIABLO CC(C)(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000328959991 571104634 /nfs/dbraw/zinc/10/46/34/571104634.db2.gz AWCDCJUOPDQRAM-UHFFFAOYSA-N 1 2 367.884 4.436 40 0 FIABLO FC(F)(F)Sc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000328982208 571105971 /nfs/dbraw/zinc/10/59/71/571105971.db2.gz GYNKSMJIPATLSF-UHFFFAOYSA-N 1 2 366.412 4.128 40 0 FIABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC(C)(C)C)n1 ZINC000328990397 571106614 /nfs/dbraw/zinc/10/66/14/571106614.db2.gz IPIKWHKKUXPXLG-UHFFFAOYSA-N 1 2 368.403 4.495 40 0 FIABLO CNc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329008540 571107095 /nfs/dbraw/zinc/10/70/95/571107095.db2.gz LSVJCWWRLCUDBR-UHFFFAOYSA-N 1 2 358.367 4.100 40 0 FIABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000329033277 571107855 /nfs/dbraw/zinc/10/78/55/571107855.db2.gz QSSITNSHHVMIPN-UHFFFAOYSA-N 1 2 350.853 4.267 40 0 FIABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358135 571183181 /nfs/dbraw/zinc/18/31/81/571183181.db2.gz ZLXFESXDJLPAFF-FQEVSTJZSA-N 1 2 366.896 4.396 40 0 FIABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358135 571183183 /nfs/dbraw/zinc/18/31/83/571183183.db2.gz ZLXFESXDJLPAFF-FQEVSTJZSA-N 1 2 366.896 4.396 40 0 FIABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358134 571183247 /nfs/dbraw/zinc/18/32/47/571183247.db2.gz ZLXFESXDJLPAFF-HXUWFJFHSA-N 1 2 366.896 4.396 40 0 FIABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358134 571183249 /nfs/dbraw/zinc/18/32/49/571183249.db2.gz ZLXFESXDJLPAFF-HXUWFJFHSA-N 1 2 366.896 4.396 40 0 FIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000226260270 571275960 /nfs/dbraw/zinc/27/59/60/571275960.db2.gz YHPZKEUTWDMYFV-UHFFFAOYSA-N 1 2 369.509 4.430 40 0 FIABLO CCCNc1[nH+]c([C@H]2CCCN2C(=O)CC2CCCC2)c2sccn12 ZINC000257218414 209967302 /nfs/dbraw/zinc/96/73/02/209967302.db2.gz DDBFICFYSJYSAY-OAHLLOKOSA-N 1 2 360.527 4.462 40 0 FIABLO O=C(NCCCc1cccc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224409274 209785073 /nfs/dbraw/zinc/78/50/73/209785073.db2.gz DKCXNFPFRJURPM-UHFFFAOYSA-N 1 2 369.468 4.447 40 0 FIABLO CCOc1ccc(C(=O)CN(c2ccccc2OC)C2=[NH+]CCCC2)cc1 ZINC000006870335 207174596 /nfs/dbraw/zinc/17/45/96/207174596.db2.gz XIMSEVQHUAFCDN-UHFFFAOYSA-N 1 2 366.461 4.366 40 0 FIABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@H](C)n2cc[nH+]c2)sc1C ZINC000019559720 207681025 /nfs/dbraw/zinc/68/10/25/207681025.db2.gz LYVGZHDMILAXNS-BLLLJJGKSA-N 1 2 374.535 4.069 40 0 FIABLO O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044903881 208322223 /nfs/dbraw/zinc/32/22/23/208322223.db2.gz ZXSFUYSGLHLSFM-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO COc1cccc(C(=O)Nc2cc([N@@H+]3CCCC[C@@H]3C)c(C)cc2N)c1 ZINC000226331559 132250947 /nfs/dbraw/zinc/25/09/47/132250947.db2.gz LBPROMCVRKSHBS-HNNXBMFYSA-N 1 2 353.466 4.217 40 0 FIABLO COc1cccc(C(=O)Nc2cc([N@H+]3CCCC[C@@H]3C)c(C)cc2N)c1 ZINC000226331559 132250949 /nfs/dbraw/zinc/25/09/49/132250949.db2.gz LBPROMCVRKSHBS-HNNXBMFYSA-N 1 2 353.466 4.217 40 0 FIABLO Cc1ccc(C[C@@H]2C[NH+]=C(N3CCN(c4ccc(C)cc4)CC3)S2)cc1 ZINC000001440433 132382038 /nfs/dbraw/zinc/38/20/38/132382038.db2.gz HTMRLCSZIIDUDL-OAQYLSRUSA-N 1 2 365.546 4.140 40 0 FIABLO C[C@@H]1C[C@H](C)CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C1 ZINC000057761939 136130227 /nfs/dbraw/zinc/13/02/27/136130227.db2.gz DLVCWVSJJCRBNK-OKILXGFUSA-N 1 2 351.429 4.155 40 0 FIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccccc3)n2)cc1 ZINC000015675546 560095040 /nfs/dbraw/zinc/09/50/40/560095040.db2.gz ZWDRNSMHEOATPN-FQEVSTJZSA-N 1 2 371.444 4.068 40 0 biogenic,in-vitro FIABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(Cl)cc3)n2)c1 ZINC000015674367 560231074 /nfs/dbraw/zinc/23/10/74/560231074.db2.gz HSNGHQMWTJETCU-MSOLQXFVSA-N 1 2 369.852 4.006 40 0 biogenic,in-vitro FIABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(Cl)cc3)n2)c1 ZINC000015674367 560231076 /nfs/dbraw/zinc/23/10/76/560231076.db2.gz HSNGHQMWTJETCU-MSOLQXFVSA-N 1 2 369.852 4.006 40 0 biogenic,in-vitro FIABLO COc1cccc(OC)c1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569716 570833309 /nfs/dbraw/zinc/83/33/09/570833309.db2.gz MVGVQROAINJVCC-UHFFFAOYSA-N 1 2 354.475 4.363 40 0 FIABLO COc1cccc(OC)c1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569716 570833312 /nfs/dbraw/zinc/83/33/12/570833312.db2.gz MVGVQROAINJVCC-UHFFFAOYSA-N 1 2 354.475 4.363 40 0 FIABLO Cc1ccc2oc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)cc2c1 ZINC000019221364 570882280 /nfs/dbraw/zinc/88/22/80/570882280.db2.gz SVBOGAVHFKDXFE-IBGZPJMESA-N 1 2 363.392 4.133 40 0 FIABLO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019558078 570893287 /nfs/dbraw/zinc/89/32/87/570893287.db2.gz ZYVFPLWIRDLHMM-QGZVFWFLSA-N 1 2 358.392 4.297 40 0 FIABLO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019558078 570893289 /nfs/dbraw/zinc/89/32/89/570893289.db2.gz ZYVFPLWIRDLHMM-QGZVFWFLSA-N 1 2 358.392 4.297 40 0 FIABLO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)o1 ZINC000019563022 570893717 /nfs/dbraw/zinc/89/37/17/570893717.db2.gz BUJVBMULGDWYAW-AWEZNQCLSA-N 1 2 360.870 4.492 40 0 FIABLO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)o1 ZINC000019563022 570893719 /nfs/dbraw/zinc/89/37/19/570893719.db2.gz BUJVBMULGDWYAW-AWEZNQCLSA-N 1 2 360.870 4.492 40 0 FIABLO Cc1c(-c2csc(NC(=O)[C@@H](C)n3cc[nH+]c3)n2)c2ccccc2n1C ZINC000019581839 570895396 /nfs/dbraw/zinc/89/53/96/570895396.db2.gz ICQLSCRIKXLPJL-CYBMUJFWSA-N 1 2 365.462 4.006 40 0 FIABLO Cc1nn(C[C@@H](C)c2cc(NCc3cccc(F)c3)nc(C)[nH+]2)c(C)c1C ZINC000019717877 570900212 /nfs/dbraw/zinc/90/02/12/570900212.db2.gz CAXVLIDJSSZXPI-CYBMUJFWSA-N 1 2 367.472 4.462 40 0 FIABLO Cc1ccc([C@@H](c2nnnn2C2CCCC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121057 570910415 /nfs/dbraw/zinc/91/04/15/570910415.db2.gz KCPMRCVJQHGUNU-QFIPXVFZSA-N 1 2 373.504 4.244 40 0 FIABLO Cc1ccc([C@@H](c2nnnn2C2CCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121057 570910418 /nfs/dbraw/zinc/91/04/18/570910418.db2.gz KCPMRCVJQHGUNU-QFIPXVFZSA-N 1 2 373.504 4.244 40 0 FIABLO CC(C)Oc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225454813 571036717 /nfs/dbraw/zinc/03/67/17/571036717.db2.gz WDUNJEDYSOCWCW-UHFFFAOYSA-N 1 2 366.490 4.146 40 0 FIABLO COc1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)c(C(C)(C)C)c1 ZINC000226072995 571082641 /nfs/dbraw/zinc/08/26/41/571082641.db2.gz NJKMNEDMZRRERW-INIZCTEOSA-N 1 2 368.477 4.091 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(C2CC2)[nH+]1 ZINC000328959841 571104678 /nfs/dbraw/zinc/10/46/78/571104678.db2.gz AVESFOKLGITWCK-LLVKDONJSA-N 1 2 364.415 4.479 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328967518 571105375 /nfs/dbraw/zinc/10/53/75/571105375.db2.gz CUDGYLADWJBNME-ZDUSSCGKSA-N 1 2 368.868 4.300 40 0 FIABLO Brc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329002895 571106844 /nfs/dbraw/zinc/10/68/44/571106844.db2.gz KKNBFMGGCWKVAI-UHFFFAOYSA-N 1 2 373.298 4.058 40 0 FIABLO Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000329022109 571107687 /nfs/dbraw/zinc/10/76/87/571107687.db2.gz OKIBVUBVRBUTCC-UHFFFAOYSA-N 1 2 358.873 4.045 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329032750 571107958 /nfs/dbraw/zinc/10/79/58/571107958.db2.gz QPQSFMMLYHOQRH-JTQLQIEISA-N 1 2 351.281 4.459 40 0 FIABLO CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C[C@H]1C(C)C ZINC000072320856 208185591 /nfs/dbraw/zinc/18/55/91/208185591.db2.gz DQNBOIXYERNBME-BQFCYCMXSA-N 1 2 357.473 4.235 40 0 biogenic,in-vitro FIABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000072378508 208843444 /nfs/dbraw/zinc/84/34/44/208843444.db2.gz NPLPHBKDHRYIHJ-UHFFFAOYSA-N 1 2 366.509 4.287 40 0 FIABLO Cc1cc(N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)nc[nH+]1 ZINC000257332274 132297196 /nfs/dbraw/zinc/29/71/96/132297196.db2.gz XWNIQZVUDCWEAR-UHFFFAOYSA-N 1 2 366.440 4.061 40 0 FIABLO COc1ccc(C(=O)Nc2cc([N@@H+]3CCCC[C@H]3C)c(C)cc2N)cc1 ZINC000226331294 536775563 /nfs/dbraw/zinc/77/55/63/536775563.db2.gz HCOLEECEMLSGID-OAHLLOKOSA-N 1 2 353.466 4.217 40 0 FIABLO COc1ccc(C(=O)Nc2cc([N@H+]3CCCC[C@H]3C)c(C)cc2N)cc1 ZINC000226331294 536775572 /nfs/dbraw/zinc/77/55/72/536775572.db2.gz HCOLEECEMLSGID-OAHLLOKOSA-N 1 2 353.466 4.217 40 0 FIABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213408 570528935 /nfs/dbraw/zinc/52/89/35/570528935.db2.gz GUKXKLXWYDJDDO-LPHOPBHVSA-N 1 2 373.522 4.126 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2F)on1 ZINC000019120938 570880722 /nfs/dbraw/zinc/88/07/22/570880722.db2.gz YHAUICDGNOHCTA-INIZCTEOSA-N 1 2 358.392 4.379 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2F)on1 ZINC000019120938 570880723 /nfs/dbraw/zinc/88/07/23/570880723.db2.gz YHAUICDGNOHCTA-INIZCTEOSA-N 1 2 358.392 4.379 40 0 FIABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2cc[nH+]c2)sc1C ZINC000019559723 570893298 /nfs/dbraw/zinc/89/32/98/570893298.db2.gz LYVGZHDMILAXNS-MLGOLLRUSA-N 1 2 374.535 4.069 40 0 FIABLO Cc1sc2c(C3CCN(C(=O)c4cccc(F)c4)CC3)[nH+]c(C)n2c1C ZINC000019561811 570893783 /nfs/dbraw/zinc/89/37/83/570893783.db2.gz CDYXHUZNZWMMQA-UHFFFAOYSA-N 1 2 371.481 4.480 40 0 FIABLO Cc1nn([C@@H](C)Cn2c[nH+]cc2-c2ccc3c(c2)CCCN3C)c(C)c1C ZINC000019720021 570900845 /nfs/dbraw/zinc/90/08/45/570900845.db2.gz HHXSMTMEGGRIHY-HNNXBMFYSA-N 1 2 363.509 4.315 40 0 FIABLO Cc1nn(-c2ccccc2C)c(C)c1-c1c[nH+]cn1CCCC(C)(C)CO ZINC000019719674 570900883 /nfs/dbraw/zinc/90/08/83/570900883.db2.gz VPYXRNCYUAMBHI-UHFFFAOYSA-N 1 2 366.509 4.460 40 0 FIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)ccc1Cl ZINC000329026283 571107610 /nfs/dbraw/zinc/10/76/10/571107610.db2.gz PLPRJUJMHLMWPY-UHFFFAOYSA-N 1 2 368.868 4.065 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000329033225 571108009 /nfs/dbraw/zinc/10/80/09/571108009.db2.gz QRQLTISNDCLBKH-LBPRGKRZSA-N 1 2 366.387 4.148 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000329033225 571108011 /nfs/dbraw/zinc/10/80/11/571108011.db2.gz QRQLTISNDCLBKH-LBPRGKRZSA-N 1 2 366.387 4.148 40 0 FIABLO FC(F)(F)c1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329041228 571108442 /nfs/dbraw/zinc/10/84/42/571108442.db2.gz SGNCABWWLJGPAX-UHFFFAOYSA-N 1 2 362.399 4.315 40 0 FIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329045961 571108628 /nfs/dbraw/zinc/10/86/28/571108628.db2.gz TYNOHMGUJNVVTD-LJQANCHMSA-N 1 2 366.440 4.455 40 0 FIABLO CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329052538 571108782 /nfs/dbraw/zinc/10/87/82/571108782.db2.gz VCFNFWGYKONAPF-UHFFFAOYSA-N 1 2 356.779 4.045 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329067253 571109523 /nfs/dbraw/zinc/10/95/23/571109523.db2.gz YHAATWIEMPQVKW-LLVKDONJSA-N 1 2 350.388 4.171 40 0 FIABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc(-c2ccc(C)s2)o1 ZINC000060016737 571135995 /nfs/dbraw/zinc/13/59/95/571135995.db2.gz LGAAWQLKVAXRPO-HNNXBMFYSA-N 1 2 355.463 4.452 40 0 FIABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1nnc(-c2ccc(C)s2)o1 ZINC000060016737 571135998 /nfs/dbraw/zinc/13/59/98/571135998.db2.gz LGAAWQLKVAXRPO-HNNXBMFYSA-N 1 2 355.463 4.452 40 0 FIABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cscn2)ccn1 ZINC000257229212 571152556 /nfs/dbraw/zinc/15/25/56/571152556.db2.gz FXEZZSVIHBQDKQ-QGZVFWFLSA-N 1 2 351.479 4.322 40 0 FIABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cscn2)ccn1 ZINC000257229212 571152558 /nfs/dbraw/zinc/15/25/58/571152558.db2.gz FXEZZSVIHBQDKQ-QGZVFWFLSA-N 1 2 351.479 4.322 40 0 FIABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1OC ZINC000243865450 209365470 /nfs/dbraw/zinc/36/54/70/209365470.db2.gz RJUJCIMXJQBRKI-UHFFFAOYSA-N 1 2 362.433 4.479 40 0 FIABLO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@H+](Cc2ccco2)CC3)c1 ZINC000096254226 209145606 /nfs/dbraw/zinc/14/56/06/209145606.db2.gz TZRHZDVIBOOJHO-UHFFFAOYSA-N 1 2 364.424 4.008 40 0 FIABLO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@@H+](Cc2ccco2)CC3)c1 ZINC000096254226 209145610 /nfs/dbraw/zinc/14/56/10/209145610.db2.gz TZRHZDVIBOOJHO-UHFFFAOYSA-N 1 2 364.424 4.008 40 0 FIABLO Fc1cccc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156561 209125841 /nfs/dbraw/zinc/12/58/41/209125841.db2.gz YOKQKSXBODYYBO-FQEVSTJZSA-N 1 2 373.435 4.268 40 0 FIABLO Fc1cccc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156561 209125847 /nfs/dbraw/zinc/12/58/47/209125847.db2.gz YOKQKSXBODYYBO-FQEVSTJZSA-N 1 2 373.435 4.268 40 0 FIABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2cc[nH+]c2)sc1C ZINC000019559717 207681152 /nfs/dbraw/zinc/68/11/52/207681152.db2.gz LYVGZHDMILAXNS-WBMJQRKESA-N 1 2 374.535 4.069 40 0 FIABLO CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000057301804 208500158 /nfs/dbraw/zinc/50/01/58/208500158.db2.gz XVELDBZHBLEZHS-JAXLGGSGSA-N 1 2 353.462 4.465 40 0 FIABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c(C)c1C ZINC000224979590 132283982 /nfs/dbraw/zinc/28/39/82/132283982.db2.gz LWGDVOMTTIWUHJ-UHFFFAOYSA-N 1 2 374.506 4.103 40 0 FIABLO CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329050021 132373127 /nfs/dbraw/zinc/37/31/27/132373127.db2.gz URMIFKLFMYXXQV-MRXNPFEDSA-N 1 2 374.488 4.399 40 0 FIABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000004847665 570669756 /nfs/dbraw/zinc/66/97/56/570669756.db2.gz KFEFKQCYNZAUHV-LJQANCHMSA-N 1 2 357.477 4.139 40 0 FIABLO Cc1[nH+]c2cc(NC(=O)Nc3ccc(Br)cc3)ccc2n1C ZINC000001141573 570763790 /nfs/dbraw/zinc/76/37/90/570763790.db2.gz FMTFKSXJPDTNFH-UHFFFAOYSA-N 1 2 359.227 4.288 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2F)on1 ZINC000019120941 570880982 /nfs/dbraw/zinc/88/09/82/570880982.db2.gz YHAUICDGNOHCTA-MRXNPFEDSA-N 1 2 358.392 4.379 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cccc(F)c2F)on1 ZINC000019120941 570880988 /nfs/dbraw/zinc/88/09/88/570880988.db2.gz YHAUICDGNOHCTA-MRXNPFEDSA-N 1 2 358.392 4.379 40 0 FIABLO COc1ccc(-c2cc(C(=O)NC3CCCC3)ccc2-n2cc[nH+]c2)cc1 ZINC000019557965 570893149 /nfs/dbraw/zinc/89/31/49/570893149.db2.gz INZQEGPCNCDNJJ-UHFFFAOYSA-N 1 2 361.445 4.220 40 0 FIABLO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2c1cccc(F)c1 ZINC000019562618 570893794 /nfs/dbraw/zinc/89/37/94/570893794.db2.gz PUCYZEXUDXQPAU-SFTDATJTSA-N 1 2 364.420 4.214 40 0 FIABLO COc1cccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c1OC ZINC000019568125 570894214 /nfs/dbraw/zinc/89/42/14/570894214.db2.gz AZNVDZHENRHWMO-OAHLLOKOSA-N 1 2 360.504 4.295 40 0 FIABLO O=C(Nc1c(Cl)cccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022522416 570945455 /nfs/dbraw/zinc/94/54/55/570945455.db2.gz ZNSSOSFOTJJZRY-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000225000026 571009659 /nfs/dbraw/zinc/00/96/59/571009659.db2.gz XTTDVDHYFPXDKK-VMPITWQZSA-N 1 2 354.881 4.120 40 0 FIABLO c1csc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329016836 571107398 /nfs/dbraw/zinc/10/73/98/571107398.db2.gz NIKJIONKJWUMSK-UHFFFAOYSA-N 1 2 364.518 4.406 40 0 FIABLO CC(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329026632 571107599 /nfs/dbraw/zinc/10/75/99/571107599.db2.gz PODSUGCZZIYPCU-UHFFFAOYSA-N 1 2 370.806 4.434 40 0 FIABLO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329048460 571108826 /nfs/dbraw/zinc/10/88/26/571108826.db2.gz UKIDIQCWWKKRKT-QGZVFWFLSA-N 1 2 374.916 4.219 40 0 FIABLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000065276962 571141847 /nfs/dbraw/zinc/14/18/47/571141847.db2.gz SXEAPPSMXQJKFA-UHFFFAOYSA-N 1 2 354.237 4.336 40 0 FIABLO Brc1cccc(-c2nc3cc(C[NH+]4CCOCC4)ccc3o2)c1 ZINC000216840366 571149182 /nfs/dbraw/zinc/14/91/82/571149182.db2.gz HLDBDTWRHJZACD-UHFFFAOYSA-N 1 2 373.250 4.090 40 0 FIABLO Cc1nc(N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cc[nH+]1 ZINC000257225250 571152083 /nfs/dbraw/zinc/15/20/83/571152083.db2.gz FFLGMFUUKXOWMY-QGZVFWFLSA-N 1 2 354.841 4.359 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378948 571187295 /nfs/dbraw/zinc/18/72/95/571187295.db2.gz FCEXRPORSZAQFA-SFHVURJKSA-N 1 2 352.482 4.244 40 0 FIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1Br ZINC000329065698 571189178 /nfs/dbraw/zinc/18/91/78/571189178.db2.gz XTYWOXVWWHMPHJ-UHFFFAOYSA-N 1 2 359.271 4.165 40 0 FIABLO Cc1nc(C(=O)N2Cc3ccccc3[C@@H](c3[nH+]ccn3C(C)C)C2)cs1 ZINC000306125935 571213276 /nfs/dbraw/zinc/21/32/76/571213276.db2.gz DGIBPORVWBBRFV-KRWDZBQOSA-N 1 2 366.490 4.017 40 0 FIABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000001380413 209389970 /nfs/dbraw/zinc/38/99/70/209389970.db2.gz JXBVNXITYOIIBI-UHFFFAOYSA-N 1 2 373.378 4.239 40 0 FIABLO CCCCCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635142 220080765 /nfs/dbraw/zinc/08/07/65/220080765.db2.gz WYFSPQWEIRVDOE-HSZRJFAPSA-N 1 2 359.473 4.094 40 0 FIABLO c1ccc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096156553 209126288 /nfs/dbraw/zinc/12/62/88/209126288.db2.gz BXVQXUJQERTQRJ-FQEVSTJZSA-N 1 2 355.445 4.128 40 0 FIABLO c1ccc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096156553 209126290 /nfs/dbraw/zinc/12/62/90/209126290.db2.gz BXVQXUJQERTQRJ-FQEVSTJZSA-N 1 2 355.445 4.128 40 0 FIABLO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104796 207264997 /nfs/dbraw/zinc/26/49/97/207264997.db2.gz KTKLQWDPJBNKQB-GRDNDAEWSA-N 1 2 370.522 4.126 40 0 FIABLO O[C@@]1(c2ccccc2)c2ccccc2C(c2ccccc2)=C1[NH+]1CCOCC1 ZINC000031947469 208019633 /nfs/dbraw/zinc/01/96/33/208019633.db2.gz OJLGLKHAXVIPKQ-VWLOTQADSA-N 1 2 369.464 4.028 40 0 FIABLO Cc1[nH+]cc(NC(=O)c2ccco2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615887 208034443 /nfs/dbraw/zinc/03/44/43/208034443.db2.gz LVOWJVDLNVYEQY-UHFFFAOYSA-N 1 2 368.393 4.289 40 0 FIABLO O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000044885086 208319244 /nfs/dbraw/zinc/31/92/44/208319244.db2.gz LZMPAIQMDUSOHS-UHFFFAOYSA-N 1 2 371.893 4.075 40 0 FIABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000226253855 132250007 /nfs/dbraw/zinc/25/00/07/132250007.db2.gz ATQIQBQGWYUJJX-UHFFFAOYSA-N 1 2 357.885 4.340 40 0 FIABLO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329050020 132372987 /nfs/dbraw/zinc/37/29/87/132372987.db2.gz URMIFKLFMYXXQV-INIZCTEOSA-N 1 2 374.488 4.399 40 0 FIABLO O=C(CSCc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020493360 527023580 /nfs/dbraw/zinc/02/35/80/527023580.db2.gz MYXZVBLKEWLYLC-UHFFFAOYSA-N 1 2 371.893 4.075 40 0 FIABLO O=C(CSCc1cccc(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020454461 527024538 /nfs/dbraw/zinc/02/45/38/527024538.db2.gz DVCGJQLAWURXAO-UHFFFAOYSA-N 1 2 371.893 4.075 40 0 FIABLO O=C([O-])C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288600 560034762 /nfs/dbraw/zinc/03/47/62/560034762.db2.gz DFAVYTIGQMODOU-ROUUACIJSA-N 1 2 369.509 4.099 40 0 biogenic,in-vitro FIABLO O=C([O-])C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288600 560034763 /nfs/dbraw/zinc/03/47/63/560034763.db2.gz DFAVYTIGQMODOU-ROUUACIJSA-N 1 2 369.509 4.099 40 0 biogenic,in-vitro FIABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)cc1C ZINC000219247505 568279228 /nfs/dbraw/zinc/27/92/28/568279228.db2.gz MDLHPIKWHHPIOR-JOCHJYFZSA-N 1 2 366.505 4.017 40 0 FIABLO O=C(O[C@]1(c2ccccc2)OCC[NH2+][C@H]1c1ccccc1)c1ccccc1 ZINC000001666034 570504037 /nfs/dbraw/zinc/50/40/37/570504037.db2.gz OXGXVNCQHVJYIF-GMAHTHKFSA-N 1 2 359.425 4.058 40 0 FIABLO CCCNc1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213172 570528399 /nfs/dbraw/zinc/52/83/99/570528399.db2.gz JFNQYQWFJSQNJD-IBGZPJMESA-N 1 2 373.522 4.128 40 0 FIABLO O=C(Nc1c(Cl)cccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408576925 570561807 /nfs/dbraw/zinc/56/18/07/570561807.db2.gz HJIZPKKTSHYISR-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000004908358 570674165 /nfs/dbraw/zinc/67/41/65/570674165.db2.gz OAVDVIOOLBBRQD-UHFFFAOYSA-N 1 2 365.452 4.324 40 0 FIABLO Cc1nc2c(c(N(C)CCc3ccccc3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286145 570884261 /nfs/dbraw/zinc/88/42/61/570884261.db2.gz BBBIXGSFRFVVDP-UHFFFAOYSA-N 1 2 372.516 4.022 40 0 FIABLO Cc1nc2c(c(N(C)CCc3ccccc3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286145 570884267 /nfs/dbraw/zinc/88/42/67/570884267.db2.gz BBBIXGSFRFVVDP-UHFFFAOYSA-N 1 2 372.516 4.022 40 0 FIABLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccccc3Cn3cccn3)cc2[nH+]1 ZINC000019665179 570897776 /nfs/dbraw/zinc/89/77/76/570897776.db2.gz GPMNGPDOYDXSRJ-UHFFFAOYSA-N 1 2 373.460 4.358 40 0 FIABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000019718467 570900405 /nfs/dbraw/zinc/90/04/05/570900405.db2.gz XPFOMOITRPHYPJ-INIZCTEOSA-N 1 2 373.460 4.043 40 0 FIABLO O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224895623 571004454 /nfs/dbraw/zinc/00/44/54/571004454.db2.gz NRFDQJGGJJAYAR-UHFFFAOYSA-N 1 2 361.323 4.082 40 0 FIABLO Cc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000225133306 571017524 /nfs/dbraw/zinc/01/75/24/571017524.db2.gz GDIVTLKLYAFOKN-RMKNXTFCSA-N 1 2 362.517 4.094 40 0 FIABLO Cc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000328964913 571105403 /nfs/dbraw/zinc/10/54/03/571105403.db2.gz BYCQDAFFPJYYIL-UHFFFAOYSA-N 1 2 373.504 4.048 40 0 FIABLO CC(C)(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328977864 571106018 /nfs/dbraw/zinc/10/60/18/571106018.db2.gz FWPDNYIOJLWYFM-UHFFFAOYSA-N 1 2 369.419 4.061 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328990394 571106494 /nfs/dbraw/zinc/10/64/94/571106494.db2.gz IPGLLTSCQCRERX-SNVBAGLBSA-N 1 2 351.281 4.459 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328990393 571106650 /nfs/dbraw/zinc/10/66/50/571106650.db2.gz IPGLLTSCQCRERX-JTQLQIEISA-N 1 2 351.281 4.459 40 0 FIABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329013062 571107066 /nfs/dbraw/zinc/10/70/66/571107066.db2.gz MNJPLSZNBCEDMB-UHFFFAOYSA-N 1 2 350.853 4.267 40 0 FIABLO CC[C@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329061774 571109360 /nfs/dbraw/zinc/10/93/60/571109360.db2.gz WTWLHOWCADPVCK-HNNXBMFYSA-N 1 2 366.896 4.463 40 0 FIABLO Brc1ccccc1-c1nc2cc(C[NH+]3CCOCC3)ccc2o1 ZINC000216827575 571148369 /nfs/dbraw/zinc/14/83/69/571148369.db2.gz IAJUGEYWIDFUMP-UHFFFAOYSA-N 1 2 373.250 4.090 40 0 FIABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3nccs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257210012 571150219 /nfs/dbraw/zinc/15/02/19/571150219.db2.gz BSTSTTIXBRPQHX-FXAWDEMLSA-N 1 2 370.518 4.346 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072378867 571187234 /nfs/dbraw/zinc/18/72/34/571187234.db2.gz XDKJEKKYIJFLSM-IBGZPJMESA-N 1 2 374.488 4.411 40 0 FIABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072383652 571188707 /nfs/dbraw/zinc/18/87/07/571188707.db2.gz IZCLDPWFIDIBSY-GOSISDBHSA-N 1 2 362.433 4.010 40 0 FIABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072383652 571188709 /nfs/dbraw/zinc/18/87/09/571188709.db2.gz IZCLDPWFIDIBSY-GOSISDBHSA-N 1 2 362.433 4.010 40 0 FIABLO Cc1nc(C[NH+]2CC3(C2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cs1 ZINC000257211917 209965385 /nfs/dbraw/zinc/96/53/85/209965385.db2.gz CBBRQNSAKLHUAP-PKOBYXMFSA-N 1 2 370.518 4.202 40 0 FIABLO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1C)CCC2 ZINC000001342672 209388735 /nfs/dbraw/zinc/38/87/35/209388735.db2.gz NHSWNXUXMWNWFG-UHFFFAOYSA-N 1 2 370.518 4.057 40 0 FIABLO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000794535 209375995 /nfs/dbraw/zinc/37/59/95/209375995.db2.gz SNOPWBIPXIYEHI-ZDUSSCGKSA-N 1 2 351.233 4.091 40 0 FIABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000004847727 207053919 /nfs/dbraw/zinc/05/39/19/207053919.db2.gz BJGHTBLWPFMQBA-QGZVFWFLSA-N 1 2 361.921 4.293 40 0 FIABLO CCC(=O)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000020611064 263381536 /nfs/dbraw/zinc/38/15/36/263381536.db2.gz NBPQDHWHINYQAW-UHFFFAOYSA-N 1 2 365.481 4.232 40 0 FIABLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020450253 525987199 /nfs/dbraw/zinc/98/71/99/525987199.db2.gz CDRCWPVMOZNDHA-CQSZACIVSA-N 1 2 371.893 4.323 40 0 FIABLO COc1ccccc1C(=O)Nc1cc([NH+]2CCC(C)CC2)c(C)cc1N ZINC000226331639 537001234 /nfs/dbraw/zinc/00/12/34/537001234.db2.gz RHPHLEHYYQZLGD-UHFFFAOYSA-N 1 2 353.466 4.074 40 0 FIABLO CC(C)(C)C(F)(F)CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1CC1CC1 ZINC000685938938 568433009 /nfs/dbraw/zinc/43/30/09/568433009.db2.gz UDWNOEGAEUPWQG-CQSZACIVSA-N 1 2 368.472 4.067 40 0 FIABLO c1ccc(Cc2cc3ccccc3nc2SCC[NH+]2CCOCC2)cc1 ZINC000026440399 568648979 /nfs/dbraw/zinc/64/89/79/568648979.db2.gz HSJPNJALHQLZHL-UHFFFAOYSA-N 1 2 364.514 4.250 40 0 FIABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215918 570533583 /nfs/dbraw/zinc/53/35/83/570533583.db2.gz IUHWCVGVPGAVRF-IBGZPJMESA-N 1 2 351.450 4.156 40 0 FIABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223913 570535248 /nfs/dbraw/zinc/53/52/48/570535248.db2.gz DSBAMHAJPRGJEY-UHFFFAOYSA-N 1 2 353.466 4.499 40 0 FIABLO COc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)cc1 ZINC000004847675 570669898 /nfs/dbraw/zinc/66/98/98/570669898.db2.gz GQEAQPZTFWCMAW-FQEVSTJZSA-N 1 2 369.513 4.008 40 0 FIABLO CC[NH+](CC)CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1 ZINC000004848724 570670233 /nfs/dbraw/zinc/67/02/33/570670233.db2.gz KWWVIWATTSVDJX-UHFFFAOYSA-N 1 2 358.507 4.185 40 0 FIABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000004858338 570671524 /nfs/dbraw/zinc/67/15/24/570671524.db2.gz ZQTIMCSIVQZQEM-UHFFFAOYSA-N 1 2 366.440 4.031 40 0 FIABLO S=C(NCCCSCc1ccccc1Cl)Nc1cc[nH+]cc1 ZINC000225608366 571049212 /nfs/dbraw/zinc/04/92/12/571049212.db2.gz PHLFXZHEGPDGEX-UHFFFAOYSA-N 1 2 351.928 4.345 40 0 FIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)ccc1Cl ZINC000329016431 571107338 /nfs/dbraw/zinc/10/73/38/571107338.db2.gz NGJUIDMCYAGXPY-KRWDZBQOSA-N 1 2 360.889 4.488 40 0 FIABLO Brc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329034423 571108206 /nfs/dbraw/zinc/10/82/06/571108206.db2.gz QZLICXBXXNHHRI-UHFFFAOYSA-N 1 2 373.298 4.058 40 0 FIABLO CC(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329038627 571108213 /nfs/dbraw/zinc/10/82/13/571108213.db2.gz RTMDVRDBQQQDCL-UHFFFAOYSA-N 1 2 352.869 4.073 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(C2CC2)[nH+]1 ZINC000329043050 571108467 /nfs/dbraw/zinc/10/84/67/571108467.db2.gz SQFBZIGXQDYMFT-NSHDSACASA-N 1 2 353.495 4.070 40 0 FIABLO Brc1ccc2c(c1)CN(c1cc(NC3CCCC3)[nH+]cn1)CC2 ZINC000329044979 571108486 /nfs/dbraw/zinc/10/84/86/571108486.db2.gz SZOUGPYUCLFJSQ-UHFFFAOYSA-N 1 2 373.298 4.156 40 0 FIABLO Brc1ccc2c(c1)CN(c1cc(NC3CCCC3)nc[nH+]1)CC2 ZINC000329044979 571108488 /nfs/dbraw/zinc/10/84/88/571108488.db2.gz SZOUGPYUCLFJSQ-UHFFFAOYSA-N 1 2 373.298 4.156 40 0 FIABLO CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329056725 571109107 /nfs/dbraw/zinc/10/91/07/571109107.db2.gz VUBSJJXEPXOGCA-UHFFFAOYSA-N 1 2 356.779 4.045 40 0 FIABLO Nc1ccc2[nH]c(-c3cc(I)ccc3Cl)[nH+]c2c1 ZINC000022124667 571129590 /nfs/dbraw/zinc/12/95/90/571129590.db2.gz UNJWGSBENHMEEO-UHFFFAOYSA-N 1 2 369.593 4.070 40 0 FIABLO Cc1cccc(Nc2ccc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2)[nH+]1 ZINC000072353323 571182044 /nfs/dbraw/zinc/18/20/44/571182044.db2.gz OILYTJVHLROMOK-SFHVURJKSA-N 1 2 364.493 4.425 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072378955 571187209 /nfs/dbraw/zinc/18/72/09/571187209.db2.gz BQNILZGURGKZIF-SFHVURJKSA-N 1 2 366.509 4.287 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072378866 571187344 /nfs/dbraw/zinc/18/73/44/571187344.db2.gz XDKJEKKYIJFLSM-LJQANCHMSA-N 1 2 374.488 4.411 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)s1 ZINC000019693483 571304257 /nfs/dbraw/zinc/30/42/57/571304257.db2.gz YMIOLRZOVDXINC-FQEVSTJZSA-N 1 2 369.465 4.226 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)s1 ZINC000019693483 571304259 /nfs/dbraw/zinc/30/42/59/571304259.db2.gz YMIOLRZOVDXINC-FQEVSTJZSA-N 1 2 369.465 4.226 40 0 FIABLO Fc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCCCC2)cc1 ZINC000000883961 209380239 /nfs/dbraw/zinc/38/02/39/209380239.db2.gz JEYJRCRLRCBXGD-LJQANCHMSA-N 1 2 357.477 4.283 40 0 FIABLO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044900742 208320526 /nfs/dbraw/zinc/32/05/26/208320526.db2.gz MEMPVFPBYVLSAN-KRWDZBQOSA-N 1 2 371.440 4.109 40 0 FIABLO O=C(CSCc1cccc(Cl)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000044901496 208320549 /nfs/dbraw/zinc/32/05/49/208320549.db2.gz DYROKQASTSDFBV-UHFFFAOYSA-N 1 2 371.893 4.075 40 0 FIABLO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219864554 132275210 /nfs/dbraw/zinc/27/52/10/132275210.db2.gz GINQSLPQMZKFPI-IBGZPJMESA-N 1 2 366.505 4.104 40 0 FIABLO O=S(=O)(Cc1ccccc1Cl)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959399 132283775 /nfs/dbraw/zinc/28/37/75/132283775.db2.gz JGRGWBSGCQYBIP-UHFFFAOYSA-N 1 2 364.898 4.272 40 0 FIABLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020450254 525987789 /nfs/dbraw/zinc/98/77/89/525987789.db2.gz CDRCWPVMOZNDHA-AWEZNQCLSA-N 1 2 371.893 4.323 40 0 FIABLO O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020451767 526447235 /nfs/dbraw/zinc/44/72/35/526447235.db2.gz MZIOJLSGWXUWRO-UHFFFAOYSA-N 1 2 369.852 4.001 40 0 FIABLO COc1ccccc1C(=O)Nc1cc([N@@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000226331618 537000881 /nfs/dbraw/zinc/00/08/81/537000881.db2.gz GKRMYNGMYFUGIZ-HNNXBMFYSA-N 1 2 353.466 4.217 40 0 FIABLO COc1ccccc1C(=O)Nc1cc([N@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000226331618 537000884 /nfs/dbraw/zinc/00/08/84/537000884.db2.gz GKRMYNGMYFUGIZ-HNNXBMFYSA-N 1 2 353.466 4.217 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCOc1ccc(F)cc1)C3 ZINC000013563804 570833834 /nfs/dbraw/zinc/83/38/34/570833834.db2.gz MPIKUYNCMTXPKH-UHFFFAOYSA-N 1 2 366.436 4.264 40 0 FIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCOc1ccc(F)cc1)C3 ZINC000013563804 570833839 /nfs/dbraw/zinc/83/38/39/570833839.db2.gz MPIKUYNCMTXPKH-UHFFFAOYSA-N 1 2 366.436 4.264 40 0 FIABLO COc1ccc(-c2ncc(C[N@@H+]3CCn4cccc4[C@H]3C(C)C)cn2)cc1 ZINC000019446154 570888482 /nfs/dbraw/zinc/88/84/82/570888482.db2.gz GTUJYBWROQJSGV-OAQYLSRUSA-N 1 2 362.477 4.167 40 0 FIABLO COc1ccc(-c2ncc(C[N@H+]3CCn4cccc4[C@H]3C(C)C)cn2)cc1 ZINC000019446154 570888486 /nfs/dbraw/zinc/88/84/86/570888486.db2.gz GTUJYBWROQJSGV-OAQYLSRUSA-N 1 2 362.477 4.167 40 0 FIABLO COc1ccc(OC)c(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c1 ZINC000019551707 570892680 /nfs/dbraw/zinc/89/26/80/570892680.db2.gz CJVAATPSZBXOCV-INIZCTEOSA-N 1 2 360.504 4.295 40 0 FIABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2cnn(C3CCCCC3)c2)n1 ZINC000019654583 570896691 /nfs/dbraw/zinc/89/66/91/570896691.db2.gz FDMWQEPBGOVVGI-UHFFFAOYSA-N 1 2 352.486 4.155 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2C[C@@H](C)n2nc(C)c(C)c2C)c1C ZINC000019654616 570896965 /nfs/dbraw/zinc/89/69/65/570896965.db2.gz CHADROJDJXFNBF-CYBMUJFWSA-N 1 2 354.502 4.156 40 0 FIABLO Cc1cc(C)n([C@H](C)Cn2c[nH+]cc2-c2cnc(N3CCCCC3)s2)n1 ZINC000019719447 570900907 /nfs/dbraw/zinc/90/09/07/570900907.db2.gz PZAYBAWMFDCEJO-MRXNPFEDSA-N 1 2 370.526 4.071 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc(C)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328985284 571105907 /nfs/dbraw/zinc/10/59/07/571105907.db2.gz HSAVMNLZHSMWNN-HNNXBMFYSA-N 1 2 350.441 4.389 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328991218 571106532 /nfs/dbraw/zinc/10/65/32/571106532.db2.gz ISDMPIRNLREXDS-VIFPVBQESA-N 1 2 367.280 4.164 40 0 FIABLO CC[C@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329033734 571107953 /nfs/dbraw/zinc/10/79/53/571107953.db2.gz QVKJOIHBZWDPOA-HNNXBMFYSA-N 1 2 366.896 4.463 40 0 FIABLO CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C2CC2)[nH+]1 ZINC000329049052 571108799 /nfs/dbraw/zinc/10/87/99/571108799.db2.gz UNCKKOYHRMNRFG-UHFFFAOYSA-N 1 2 352.360 4.158 40 0 FIABLO C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1[nH+]ccn1C ZINC000183053425 571149961 /nfs/dbraw/zinc/14/99/61/571149961.db2.gz DBFJRZYFSZQICX-LLVKDONJSA-N 1 2 366.412 4.413 40 0 FIABLO C[C@@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccn1C ZINC000183053425 571149964 /nfs/dbraw/zinc/14/99/64/571149964.db2.gz DBFJRZYFSZQICX-LLVKDONJSA-N 1 2 366.412 4.413 40 0 FIABLO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[N@@H+]2Cc2cncs2)n1 ZINC000257207878 571150285 /nfs/dbraw/zinc/15/02/85/571150285.db2.gz BJSZPUKUQYLIQP-OAHLLOKOSA-N 1 2 372.523 4.169 40 0 FIABLO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[N@H+]2Cc2cncs2)n1 ZINC000257207878 571150288 /nfs/dbraw/zinc/15/02/88/571150288.db2.gz BJSZPUKUQYLIQP-OAHLLOKOSA-N 1 2 372.523 4.169 40 0 FIABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cncs2)n1 ZINC000257238717 571153060 /nfs/dbraw/zinc/15/30/60/571153060.db2.gz HMFYEHDOJLQJPF-KRWDZBQOSA-N 1 2 366.494 4.107 40 0 FIABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@H+]2Cc2cncs2)n1 ZINC000257238717 571153062 /nfs/dbraw/zinc/15/30/62/571153062.db2.gz HMFYEHDOJLQJPF-KRWDZBQOSA-N 1 2 366.494 4.107 40 0 FIABLO Oc1c(Br)cc(C[NH2+]C2CCCCC2)cc1Br ZINC000031628772 571192236 /nfs/dbraw/zinc/19/22/36/571192236.db2.gz VGIXVTSXEOANPD-UHFFFAOYSA-N 1 2 363.093 4.340 40 0 FIABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3ccccc3F)C2)c2sccn12 ZINC000585182472 571238082 /nfs/dbraw/zinc/23/80/82/571238082.db2.gz GHKJLWDAQSQZQO-LJQANCHMSA-N 1 2 357.454 4.037 40 0 FIABLO Cc1[nH+]c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c2sccn12 ZINC000257294251 223054289 /nfs/dbraw/zinc/05/42/89/223054289.db2.gz QTFLUKQMOWCLIR-MRXNPFEDSA-N 1 2 357.454 4.140 40 0 FIABLO CCCCc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030851200 208006199 /nfs/dbraw/zinc/00/61/99/208006199.db2.gz ABOFNZXFIGIHSQ-UHFFFAOYSA-N 1 2 352.478 4.114 40 0 FIABLO COc1ccccc1[C@@H]1c2cc3c(cc2O[C@H]([NH+]2CCCC2)[C@H]1C)OCO3 ZINC000031860840 208020840 /nfs/dbraw/zinc/02/08/40/208020840.db2.gz GUTQDDXXUDZPIR-CUJSYCCXSA-N 1 2 367.445 4.006 40 0 FIABLO O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038836926 208208557 /nfs/dbraw/zinc/20/85/57/208208557.db2.gz PUQZKIYUPJQUQO-UHFFFAOYSA-N 1 2 371.893 4.107 40 0 FIABLO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1C ZINC000044856715 208319135 /nfs/dbraw/zinc/31/91/35/208319135.db2.gz YJDLBQLCRSAIAL-QFIPXVFZSA-N 1 2 366.505 4.017 40 0 FIABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000226253812 132249788 /nfs/dbraw/zinc/24/97/88/132249788.db2.gz GDPZRYIIESQYGH-CQSZACIVSA-N 1 2 357.885 4.482 40 0 FIABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000226253812 132249792 /nfs/dbraw/zinc/24/97/92/132249792.db2.gz GDPZRYIIESQYGH-CQSZACIVSA-N 1 2 357.885 4.482 40 0 FIABLO CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226253148 132250046 /nfs/dbraw/zinc/25/00/46/132250046.db2.gz OZQWBLIVVBNLRT-UHFFFAOYSA-N 1 2 367.493 4.400 40 0 FIABLO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219863266 132275092 /nfs/dbraw/zinc/27/50/92/132275092.db2.gz BEKWORYSTVUYQN-QGZVFWFLSA-N 1 2 352.478 4.097 40 0 FIABLO COc1ccc([C@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219863306 132275151 /nfs/dbraw/zinc/27/51/51/132275151.db2.gz BEKWORYSTVUYQN-KRWDZBQOSA-N 1 2 352.478 4.097 40 0 FIABLO CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216231396 568113752 /nfs/dbraw/zinc/11/37/52/568113752.db2.gz LWAXOWCYTBOPCW-QGZVFWFLSA-N 1 2 363.461 4.079 40 0 FIABLO CCCCNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213667 570528956 /nfs/dbraw/zinc/52/89/56/570528956.db2.gz OWWJOCUTRGWOSL-IBGZPJMESA-N 1 2 373.522 4.128 40 0 FIABLO Clc1ccc(-c2nc(NCc3ccncc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221825 570728929 /nfs/dbraw/zinc/72/89/29/570728929.db2.gz KMULACTUAFSORI-UHFFFAOYSA-N 1 2 362.824 4.194 40 0 FIABLO COc1ccc(OC)c(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)c1 ZINC000013569156 570833265 /nfs/dbraw/zinc/83/32/65/570833265.db2.gz VUVWJFGOSTXJPX-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)c1 ZINC000013569156 570833266 /nfs/dbraw/zinc/83/32/66/570833266.db2.gz VUVWJFGOSTXJPX-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000019080509 570879996 /nfs/dbraw/zinc/87/99/96/570879996.db2.gz FEJPHUMXWABNOY-ZDUSSCGKSA-N 1 2 366.387 4.092 40 0 FIABLO c1coc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[N@@H+]2Cc2ccccc2)c1 ZINC000019371573 570888029 /nfs/dbraw/zinc/88/80/29/570888029.db2.gz JXNHBDYPLYRYKG-QFBILLFUSA-N 1 2 356.429 4.251 40 0 FIABLO c1coc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[N@H+]2Cc2ccccc2)c1 ZINC000019371573 570888031 /nfs/dbraw/zinc/88/80/31/570888031.db2.gz JXNHBDYPLYRYKG-QFBILLFUSA-N 1 2 356.429 4.251 40 0 FIABLO CCN(Cc1c[nH+]cn1C)c1cccc(OCCOc2ccc(F)cc2)c1 ZINC000019526662 570891965 /nfs/dbraw/zinc/89/19/65/570891965.db2.gz WYGLAJXCECPUDU-UHFFFAOYSA-N 1 2 369.440 4.044 40 0 FIABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019550636 570892572 /nfs/dbraw/zinc/89/25/72/570892572.db2.gz UFDLODKLPQVNSB-AWEZNQCLSA-N 1 2 374.487 4.016 40 0 FIABLO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c(OC)c1 ZINC000019552540 570892629 /nfs/dbraw/zinc/89/26/29/570892629.db2.gz QUWMNCZBJKYRLR-MRXNPFEDSA-N 1 2 360.504 4.295 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2C[C@H](C)n2nc(C)c(C)c2C)c1C ZINC000019654618 570896793 /nfs/dbraw/zinc/89/67/93/570896793.db2.gz CHADROJDJXFNBF-ZDUSSCGKSA-N 1 2 354.502 4.156 40 0 FIABLO CC(C)c1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000225229624 571022907 /nfs/dbraw/zinc/02/29/07/571022907.db2.gz BHNUQDQOLPCAAR-UHFFFAOYSA-N 1 2 361.489 4.417 40 0 FIABLO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328989600 571106354 /nfs/dbraw/zinc/10/63/54/571106354.db2.gz IJUHBBWNNYIALS-QGZVFWFLSA-N 1 2 374.916 4.219 40 0 FIABLO CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328995107 571106585 /nfs/dbraw/zinc/10/65/85/571106585.db2.gz JFYXNKVQBOOCMN-UHFFFAOYSA-N 1 2 374.366 4.061 40 0 FIABLO FC(F)(F)c1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1Cl ZINC000329023087 571107596 /nfs/dbraw/zinc/10/75/96/571107596.db2.gz OSKCJDGRJDNJIX-UHFFFAOYSA-N 1 2 368.790 4.188 40 0 FIABLO CC(C)(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329056770 571109166 /nfs/dbraw/zinc/10/91/66/571109166.db2.gz VUOHWHSYPHDOBL-UHFFFAOYSA-N 1 2 367.884 4.436 40 0 FIABLO CCOc1ccc(-c2nc(Nc3cc(C)ccc3OC)cc(N)[nH+]2)cc1 ZINC000049468109 571109504 /nfs/dbraw/zinc/10/95/04/571109504.db2.gz NXBJAJGVHCZVMM-UHFFFAOYSA-N 1 2 350.422 4.185 40 0 FIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3cncs3)o2)cc1 ZINC000257258452 571155095 /nfs/dbraw/zinc/15/50/95/571155095.db2.gz KTXPAMPCPPTWSL-SFHVURJKSA-N 1 2 355.463 4.068 40 0 FIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3cncs3)o2)cc1 ZINC000257258452 571155096 /nfs/dbraw/zinc/15/50/96/571155096.db2.gz KTXPAMPCPPTWSL-SFHVURJKSA-N 1 2 355.463 4.068 40 0 FIABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2nccs2)n1 ZINC000257291547 571158666 /nfs/dbraw/zinc/15/86/66/571158666.db2.gz QHMOSHHPAKJGIK-INIZCTEOSA-N 1 2 369.494 4.241 40 0 FIABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2nccs2)n1 ZINC000257291547 571158668 /nfs/dbraw/zinc/15/86/68/571158668.db2.gz QHMOSHHPAKJGIK-INIZCTEOSA-N 1 2 369.494 4.241 40 0 FIABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377447 571186670 /nfs/dbraw/zinc/18/66/70/571186670.db2.gz DKYDEGJUSVYHKQ-KRWDZBQOSA-N 1 2 367.478 4.022 40 0 FIABLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377447 571186671 /nfs/dbraw/zinc/18/66/71/571186671.db2.gz DKYDEGJUSVYHKQ-KRWDZBQOSA-N 1 2 367.478 4.022 40 0 FIABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)[nH+]1 ZINC000257313459 529787821 /nfs/dbraw/zinc/78/78/21/529787821.db2.gz USNUBCSUYMEGPR-LJQANCHMSA-N 1 2 373.447 4.053 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329040824 210133365 /nfs/dbraw/zinc/13/33/65/210133365.db2.gz SGKPFUOJZZWROB-SNVBAGLBSA-N 1 2 351.281 4.459 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329030203 210131219 /nfs/dbraw/zinc/13/12/19/210131219.db2.gz QCFBMCDGZXWWHI-JTQLQIEISA-N 1 2 368.378 4.310 40 0 FIABLO Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328992515 210128442 /nfs/dbraw/zinc/12/84/42/210128442.db2.gz IWCODKQUJYSGBJ-HXUWFJFHSA-N 1 2 362.477 4.046 40 0 FIABLO Oc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328961087 210127074 /nfs/dbraw/zinc/12/70/74/210127074.db2.gz BBLMRNTZDNTAJH-UHFFFAOYSA-N 1 2 360.461 4.181 40 0 FIABLO Cc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328956404 210125160 /nfs/dbraw/zinc/12/51/60/210125160.db2.gz AFZMLXGSRDQVIP-UHFFFAOYSA-N 1 2 373.504 4.048 40 0 FIABLO c1ccc(-c2cc(NC[C@H]3CCCO3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000243429338 222921547 /nfs/dbraw/zinc/92/15/47/222921547.db2.gz MYHBVBCJRGHDMQ-GOSISDBHSA-N 1 2 352.482 4.479 40 0 FIABLO Cc1nc(N2CC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc[nH+]1 ZINC000257273305 223045791 /nfs/dbraw/zinc/04/57/91/223045791.db2.gz NGBLDFTWCUONAD-HNNXBMFYSA-N 1 2 354.841 4.011 40 0 FIABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3cccc(F)c3)CC2)c2sccn12 ZINC000257340203 223071712 /nfs/dbraw/zinc/07/17/12/223071712.db2.gz ZFAWMCXSAYVLGK-UHFFFAOYSA-N 1 2 357.454 4.037 40 0 FIABLO O=C(Nc1ccc(Cl)cc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022511608 211352400 /nfs/dbraw/zinc/35/24/00/211352400.db2.gz UUXHPRRAZNZUKR-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCc2cc(Cl)ccc21 ZINC000019665173 211244898 /nfs/dbraw/zinc/24/48/98/211244898.db2.gz BICFYSNARBSKLO-UHFFFAOYSA-N 1 2 353.853 4.368 40 0 FIABLO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)n1 ZINC000019573126 211235092 /nfs/dbraw/zinc/23/50/92/211235092.db2.gz FRTOLFWLSZQALR-HNNXBMFYSA-N 1 2 353.470 4.100 40 0 FIABLO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[NH2+][C@H](c1ccccn1)C2 ZINC000019550742 211231456 /nfs/dbraw/zinc/23/14/56/211231456.db2.gz GNQSUNGDBJFPCZ-UGKGYDQZSA-N 1 2 364.420 4.214 40 0 FIABLO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219849798 132274654 /nfs/dbraw/zinc/27/46/54/132274654.db2.gz PYQDHCYVHJTLNP-UHFFFAOYSA-N 1 2 366.461 4.027 40 0 FIABLO CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(C)cc3[nH+]2)C[C@H]1C(C)C ZINC000072320840 560077060 /nfs/dbraw/zinc/07/70/60/560077060.db2.gz JAIISSQKKJWKFZ-FHWLQOOXSA-N 1 2 353.510 4.405 40 0 biogenic,in-vitro FIABLO CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3cc(C)ccc3[nH+]2)C[C@H]1C(C)C ZINC000072320840 560077061 /nfs/dbraw/zinc/07/70/61/560077061.db2.gz JAIISSQKKJWKFZ-FHWLQOOXSA-N 1 2 353.510 4.405 40 0 biogenic,in-vitro FIABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)c(C)c1 ZINC000219247422 568279265 /nfs/dbraw/zinc/27/92/65/568279265.db2.gz LBGCFINLIFISRR-QFIPXVFZSA-N 1 2 366.505 4.017 40 0 FIABLO CC[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115017 570719321 /nfs/dbraw/zinc/71/93/21/570719321.db2.gz UEEUZEVBQVDJBV-VQIMIIECSA-N 1 2 369.415 4.098 40 0 FIABLO CCOc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1c[nH]nc1C(C)(C)C)CC3 ZINC000012147171 570722764 /nfs/dbraw/zinc/72/27/64/570722764.db2.gz XLAVFUOGCPLZBE-UHFFFAOYSA-N 1 2 352.482 4.146 40 0 FIABLO CCOc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1c[nH]nc1C(C)(C)C)CC3 ZINC000012147171 570722767 /nfs/dbraw/zinc/72/27/67/570722767.db2.gz XLAVFUOGCPLZBE-UHFFFAOYSA-N 1 2 352.482 4.146 40 0 FIABLO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000014413460 570854601 /nfs/dbraw/zinc/85/46/01/570854601.db2.gz VWGWLXBEAGYLCJ-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO Cc1nn(C)c(C)c1C[C@@H](C)n1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019720035 570900752 /nfs/dbraw/zinc/90/07/52/570900752.db2.gz RVVUWWCPVDSZIO-OAHLLOKOSA-N 1 2 363.509 4.087 40 0 FIABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000038850932 571088363 /nfs/dbraw/zinc/08/83/63/571088363.db2.gz PDIHZNUCXCNBDM-UHFFFAOYSA-N 1 2 359.473 4.026 40 0 FIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)/C(=C/c1ccco1)c1ccccc1 ZINC000044903896 571104395 /nfs/dbraw/zinc/10/43/95/571104395.db2.gz MQBOMZZPRLQXNO-RCCKNPSSSA-N 1 2 369.424 4.322 40 0 FIABLO CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329060753 571109143 /nfs/dbraw/zinc/10/91/43/571109143.db2.gz WNOMMGNNKWHOFL-UHFFFAOYSA-N 1 2 356.779 4.045 40 0 FIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329060738 571109218 /nfs/dbraw/zinc/10/92/18/571109218.db2.gz WNJBRFKDQCUPES-LJQANCHMSA-N 1 2 364.449 4.022 40 0 FIABLO COc1ccc(-c2nc(Nc3ccc(Cl)cc3)cc(N)[nH+]2)cc1OC ZINC000049468163 571109377 /nfs/dbraw/zinc/10/93/77/571109377.db2.gz AMJZCJGERGZLBC-UHFFFAOYSA-N 1 2 356.813 4.140 40 0 FIABLO COc1ccc(-c2nc(N)cc(Nc3ccc(Cl)cc3)[nH+]2)cc1OC ZINC000049468163 571109383 /nfs/dbraw/zinc/10/93/83/571109383.db2.gz AMJZCJGERGZLBC-UHFFFAOYSA-N 1 2 356.813 4.140 40 0 FIABLO CC(C)n1c2ccccc2nc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000057823223 571123172 /nfs/dbraw/zinc/12/31/72/571123172.db2.gz WLBPEEPLQSELGK-UHFFFAOYSA-N 1 2 367.468 4.240 40 0 FIABLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cncc(Oc3cccnc3C)n2)n1 ZINC000072384173 571189046 /nfs/dbraw/zinc/18/90/46/571189046.db2.gz UIEIDAWOKQWLAI-LJQANCHMSA-N 1 2 361.449 4.013 40 0 FIABLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cncc(Oc3cccnc3C)n2)n1 ZINC000072384173 571189047 /nfs/dbraw/zinc/18/90/47/571189047.db2.gz UIEIDAWOKQWLAI-LJQANCHMSA-N 1 2 361.449 4.013 40 0 FIABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000093022356 571275777 /nfs/dbraw/zinc/27/57/77/571275777.db2.gz WHBUZZRPNATDNE-UHFFFAOYSA-N 1 2 356.857 4.058 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)s1 ZINC000019693482 571304354 /nfs/dbraw/zinc/30/43/54/571304354.db2.gz YMIOLRZOVDXINC-HXUWFJFHSA-N 1 2 369.465 4.226 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)s1 ZINC000019693482 571304356 /nfs/dbraw/zinc/30/43/56/571304356.db2.gz YMIOLRZOVDXINC-HXUWFJFHSA-N 1 2 369.465 4.226 40 0 FIABLO Cc1ccc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095534179 571331477 /nfs/dbraw/zinc/33/14/77/571331477.db2.gz JZJLEZPLAWROAV-LJQANCHMSA-N 1 2 350.466 4.038 40 0 FIABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329061776 210135878 /nfs/dbraw/zinc/13/58/78/210135878.db2.gz WTWLHOWCADPVCK-OAHLLOKOSA-N 1 2 366.896 4.463 40 0 FIABLO Fc1cc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(F)c1 ZINC000329072560 210134683 /nfs/dbraw/zinc/13/46/83/210134683.db2.gz ZZRAXUPBMSJEFF-UHFFFAOYSA-N 1 2 362.399 4.103 40 0 FIABLO CC(C)(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329068704 210134461 /nfs/dbraw/zinc/13/44/61/210134461.db2.gz YSFCOUJTFGBNND-UHFFFAOYSA-N 1 2 369.419 4.061 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329040823 210133141 /nfs/dbraw/zinc/13/31/41/210133141.db2.gz SGKPFUOJZZWROB-JTQLQIEISA-N 1 2 351.281 4.459 40 0 FIABLO CC(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328992466 210128773 /nfs/dbraw/zinc/12/87/73/210128773.db2.gz IVDWFHMEEUTORU-UHFFFAOYSA-N 1 2 370.806 4.434 40 0 FIABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328995894 210128790 /nfs/dbraw/zinc/12/87/90/210128790.db2.gz JIZCXDFWSXDKLI-UHFFFAOYSA-N 1 2 374.488 4.484 40 0 FIABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141762 210058105 /nfs/dbraw/zinc/05/81/05/210058105.db2.gz WFRCSWMDUCTBJZ-KRWDZBQOSA-N 1 2 363.490 4.133 40 0 FIABLO Cn1cc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141762 210058107 /nfs/dbraw/zinc/05/81/07/210058107.db2.gz WFRCSWMDUCTBJZ-KRWDZBQOSA-N 1 2 363.490 4.133 40 0 FIABLO Cn1c2c(n3cc(-c4ccc(F)cc4)[nH+]c13)CN(Cc1cccs1)CC2 ZINC000306144051 210057667 /nfs/dbraw/zinc/05/76/67/210057667.db2.gz YULRKPJZSMFGTM-UHFFFAOYSA-N 1 2 366.465 4.099 40 0 FIABLO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225331488 222834754 /nfs/dbraw/zinc/83/47/54/222834754.db2.gz IQECFSMADGERDI-UHFFFAOYSA-N 1 2 374.271 4.428 40 0 FIABLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)nc1 ZINC000257272652 223046111 /nfs/dbraw/zinc/04/61/11/223046111.db2.gz NDHQLLXDEKXQRA-QGZVFWFLSA-N 1 2 366.856 4.001 40 0 FIABLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)nc1 ZINC000257272652 223046115 /nfs/dbraw/zinc/04/61/15/223046115.db2.gz NDHQLLXDEKXQRA-QGZVFWFLSA-N 1 2 366.856 4.001 40 0 FIABLO Cc1c(-c2c[nH+]cn2CCCC(C)(C)CO)c(-c2ccccc2)nn1C ZINC000019719403 211252157 /nfs/dbraw/zinc/25/21/57/211252157.db2.gz NBQNOVXWUUGTLF-UHFFFAOYSA-N 1 2 352.482 4.058 40 0 FIABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[NH2+][C@H](c1cccnc1)C2 ZINC000019550767 211230267 /nfs/dbraw/zinc/23/02/67/211230267.db2.gz DWYCTLWGZXRAJX-UGKGYDQZSA-N 1 2 364.420 4.214 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3ccccc3)CC2)cc1 ZINC000219851228 132275167 /nfs/dbraw/zinc/27/51/67/132275167.db2.gz UWLBMIQCUWRUPI-UHFFFAOYSA-N 1 2 368.546 4.261 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000219859254 132275174 /nfs/dbraw/zinc/27/51/74/132275174.db2.gz OHOTXFMIQLWDSI-LJQANCHMSA-N 1 2 350.506 4.349 40 0 FIABLO C[C@@H]1CCCCN1c1nc(N2CCCC[C@@H]2C)nc(N2CCCC[C@@H]2C)[nH+]1 ZINC000004460182 132304189 /nfs/dbraw/zinc/30/41/89/132304189.db2.gz IRHBJWKEYATDJX-OKZBNKHCSA-N 1 2 372.561 4.008 40 0 FIABLO C[C@@H]1CCCCN1c1nc(N2CCCC[C@@H]2C)[nH+]c(N2CCCC[C@@H]2C)n1 ZINC000004460182 132304190 /nfs/dbraw/zinc/30/41/90/132304190.db2.gz IRHBJWKEYATDJX-OKZBNKHCSA-N 1 2 372.561 4.008 40 0 FIABLO CCN(Cc1ccccc1)C(=O)c1cc(-c2cn(C)c(C)[nH+]2)n2ccccc12 ZINC000096266813 222105642 /nfs/dbraw/zinc/10/56/42/222105642.db2.gz CWPFHZFNMAWVSI-UHFFFAOYSA-N 1 2 372.472 4.311 40 0 FIABLO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020495577 525952152 /nfs/dbraw/zinc/95/21/52/525952152.db2.gz YICDOCBLNWJIED-KRWDZBQOSA-N 1 2 371.440 4.109 40 0 FIABLO COc1ccc(C(=O)Nc2cc([NH+]3CCC(C)CC3)c(C)cc2N)cc1 ZINC000226331350 536776088 /nfs/dbraw/zinc/77/60/88/536776088.db2.gz HFDRAOGZDJXYDF-UHFFFAOYSA-N 1 2 353.466 4.074 40 0 FIABLO Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N(C)C ZINC000072218651 570534538 /nfs/dbraw/zinc/53/45/38/570534538.db2.gz AYBUMVNSZWXTNR-LJQANCHMSA-N 1 2 353.466 4.320 40 0 FIABLO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccccc1Cl ZINC000035312974 570641948 /nfs/dbraw/zinc/64/19/48/570641948.db2.gz MVWZPRPHLXZGPG-UHFFFAOYSA-N 1 2 368.868 4.034 40 0 FIABLO O=C(Nc1nnc(C2CCCCC2)s1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000035322735 570642747 /nfs/dbraw/zinc/64/27/47/570642747.db2.gz LNQAQJXDHZKKNW-KRWDZBQOSA-N 1 2 370.522 4.361 40 0 FIABLO COc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)cc1 ZINC000004847676 570669832 /nfs/dbraw/zinc/66/98/32/570669832.db2.gz GQEAQPZTFWCMAW-HXUWFJFHSA-N 1 2 369.513 4.008 40 0 FIABLO Cc1nn2c(nc(C)c(C)c2NCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000012113345 570718614 /nfs/dbraw/zinc/71/86/14/570718614.db2.gz ODFYLTCBKRKOQI-UHFFFAOYSA-N 1 2 360.465 4.020 40 0 FIABLO Fc1ccc(-c2nc(NCCCc3ccccn3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221941 570729112 /nfs/dbraw/zinc/72/91/12/570729112.db2.gz UQERRJCQFQPVRQ-UHFFFAOYSA-N 1 2 374.423 4.113 40 0 FIABLO CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000030867936 571051869 /nfs/dbraw/zinc/05/18/69/571051869.db2.gz CKTSDKYIGCPHBP-UHFFFAOYSA-N 1 2 361.489 4.419 40 0 FIABLO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030944267 571053286 /nfs/dbraw/zinc/05/32/86/571053286.db2.gz YZRCOXSDOMWWNJ-UHFFFAOYSA-N 1 2 367.452 4.451 40 0 FIABLO CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4cc[nH+]c4)ccc3n2)cc1 ZINC000043193842 571099559 /nfs/dbraw/zinc/09/95/59/571099559.db2.gz SMJAMOAYGIVKRI-UHFFFAOYSA-N 1 2 359.433 4.070 40 0 in-vitro FIABLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377425 571186012 /nfs/dbraw/zinc/18/60/12/571186012.db2.gz AUVTYNFTVXXNMB-INIZCTEOSA-N 1 2 355.442 4.153 40 0 FIABLO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377425 571186013 /nfs/dbraw/zinc/18/60/13/571186013.db2.gz AUVTYNFTVXXNMB-INIZCTEOSA-N 1 2 355.442 4.153 40 0 FIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 ZINC000226261085 571275918 /nfs/dbraw/zinc/27/59/18/571275918.db2.gz QAKIPVYLNROLDJ-UHFFFAOYSA-N 1 2 362.271 4.130 40 0 FIABLO COc1cc(C)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C ZINC000224979699 536615400 /nfs/dbraw/zinc/61/54/00/536615400.db2.gz HAVYDKUAQBDEIU-UHFFFAOYSA-N 1 2 374.506 4.103 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cccc(F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329043072 210133699 /nfs/dbraw/zinc/13/36/99/210133699.db2.gz SQQKFOWQRKVTQZ-CQSZACIVSA-N 1 2 350.441 4.389 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328967917 210126453 /nfs/dbraw/zinc/12/64/53/210126453.db2.gz CWGSKAOOYWJWRH-LLVKDONJSA-N 1 2 366.387 4.050 40 0 FIABLO CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328958419 210126462 /nfs/dbraw/zinc/12/64/62/210126462.db2.gz ANOSTWZPYHEGRE-UHFFFAOYSA-N 1 2 359.260 4.470 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328969975 210126366 /nfs/dbraw/zinc/12/63/66/210126366.db2.gz DHQJPDCFUFROPG-LBPRGKRZSA-N 1 2 364.415 4.479 40 0 FIABLO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(Cl)cccc1Cl ZINC000013991886 220100969 /nfs/dbraw/zinc/10/09/69/220100969.db2.gz ZDZJDMHPLBHLQB-LBPRGKRZSA-N 1 2 368.260 4.105 40 0 FIABLO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(Cl)cccc1Cl ZINC000013991886 220100972 /nfs/dbraw/zinc/10/09/72/220100972.db2.gz ZDZJDMHPLBHLQB-LBPRGKRZSA-N 1 2 368.260 4.105 40 0 FIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000044949120 211806436 /nfs/dbraw/zinc/80/64/36/211806436.db2.gz IXFKTKFXHVRGAF-UHFFFAOYSA-N 1 2 353.425 4.469 40 0 FIABLO Cc1ccc(-c2ncc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019663000 211244177 /nfs/dbraw/zinc/24/41/77/211244177.db2.gz ALCOECWLPMXJPX-JOCHJYFZSA-N 1 2 374.488 4.028 40 0 FIABLO Cc1ccc(-c2ncc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019663000 211244183 /nfs/dbraw/zinc/24/41/83/211244183.db2.gz ALCOECWLPMXJPX-JOCHJYFZSA-N 1 2 374.488 4.028 40 0 FIABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc21 ZINC000019656629 211243725 /nfs/dbraw/zinc/24/37/25/211243725.db2.gz RLRDRUGBAQLQJZ-UHFFFAOYSA-N 1 2 362.355 4.339 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2Cc2ccc3c(c2)CCCO3)c1C ZINC000019654468 211242524 /nfs/dbraw/zinc/24/25/24/211242524.db2.gz XHWLBDIOZNQGOH-UHFFFAOYSA-N 1 2 350.466 4.147 40 0 FIABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2cc[nH+]c2)sc1C ZINC000019559714 211232940 /nfs/dbraw/zinc/23/29/40/211232940.db2.gz LYVGZHDMILAXNS-LRDDRELGSA-N 1 2 374.535 4.069 40 0 FIABLO O=c1c(C[N@H+](Cc2ccccc2F)C[C@H]2CCCO2)coc2ccccc12 ZINC000019348736 211215950 /nfs/dbraw/zinc/21/59/50/211215950.db2.gz JRDPQCYPPRYWMF-GOSISDBHSA-N 1 2 367.420 4.113 40 0 FIABLO O=c1c(C[N@@H+](Cc2ccccc2F)C[C@H]2CCCO2)coc2ccccc12 ZINC000019348736 211215955 /nfs/dbraw/zinc/21/59/55/211215955.db2.gz JRDPQCYPPRYWMF-GOSISDBHSA-N 1 2 367.420 4.113 40 0 FIABLO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)cc(OC)c1OC ZINC000019119383 211202016 /nfs/dbraw/zinc/20/20/16/211202016.db2.gz XNSHGRXKUUTVRQ-KRWDZBQOSA-N 1 2 360.454 4.126 40 0 FIABLO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)cc(OC)c1OC ZINC000019119383 211202023 /nfs/dbraw/zinc/20/20/23/211202023.db2.gz XNSHGRXKUUTVRQ-KRWDZBQOSA-N 1 2 360.454 4.126 40 0 FIABLO CCC(C)(C)n1nnnc1[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000019499739 220264226 /nfs/dbraw/zinc/26/42/26/220264226.db2.gz XCDFDLDBOIGWIS-SFHVURJKSA-N 1 2 367.522 4.027 40 0 FIABLO CCC(C)(C)n1nnnc1[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000019499739 220264232 /nfs/dbraw/zinc/26/42/32/220264232.db2.gz XCDFDLDBOIGWIS-SFHVURJKSA-N 1 2 367.522 4.027 40 0 FIABLO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000022626489 220392493 /nfs/dbraw/zinc/39/24/93/220392493.db2.gz YKSSBHDJIUVGOV-ZQIUZPCESA-N 1 2 370.522 4.181 40 0 FIABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000072365987 221484171 /nfs/dbraw/zinc/48/41/71/221484171.db2.gz COIWEMRPWDNUHS-UHFFFAOYSA-N 1 2 358.445 4.303 40 0 FIABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cscn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257263918 534428990 /nfs/dbraw/zinc/42/89/90/534428990.db2.gz LRZYJLIBAMCLDE-AZUAARDMSA-N 1 2 370.518 4.346 40 0 FIABLO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226253185 536191441 /nfs/dbraw/zinc/19/14/41/536191441.db2.gz NGVIFTCDKCEWLB-INIZCTEOSA-N 1 2 367.493 4.228 40 0 FIABLO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226253185 536191442 /nfs/dbraw/zinc/19/14/42/536191442.db2.gz NGVIFTCDKCEWLB-INIZCTEOSA-N 1 2 367.493 4.228 40 0 FIABLO COc1ccc(C(=O)Nc2cc([N@@H+]3CCCC[C@@H]3C)c(C)cc2N)cc1 ZINC000226331288 536776821 /nfs/dbraw/zinc/77/68/21/536776821.db2.gz HCOLEECEMLSGID-HNNXBMFYSA-N 1 2 353.466 4.217 40 0 FIABLO COc1ccc(C(=O)Nc2cc([N@H+]3CCCC[C@@H]3C)c(C)cc2N)cc1 ZINC000226331288 536776827 /nfs/dbraw/zinc/77/68/27/536776827.db2.gz HCOLEECEMLSGID-HNNXBMFYSA-N 1 2 353.466 4.217 40 0 FIABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)c(C)c1 ZINC000219247358 568279294 /nfs/dbraw/zinc/27/92/94/568279294.db2.gz LBGCFINLIFISRR-JOCHJYFZSA-N 1 2 366.505 4.017 40 0 FIABLO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223414274 568652396 /nfs/dbraw/zinc/65/23/96/568652396.db2.gz GXHPJLTWAZAVGT-UHFFFAOYSA-N 1 2 372.468 4.023 40 0 FIABLO CCN(C)c1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212807 570527956 /nfs/dbraw/zinc/52/79/56/570527956.db2.gz JDPJLKUYDPHSCG-LJQANCHMSA-N 1 2 353.466 4.402 40 0 FIABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213409 570528864 /nfs/dbraw/zinc/52/88/64/570528864.db2.gz GUKXKLXWYDJDDO-VQIMIIECSA-N 1 2 373.522 4.126 40 0 FIABLO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000117603842 570552882 /nfs/dbraw/zinc/55/28/82/570552882.db2.gz USACOUHCJPGZKT-UHFFFAOYSA-N 1 2 353.425 4.436 40 0 FIABLO CC(C)OCCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012220258 570728505 /nfs/dbraw/zinc/72/85/05/570728505.db2.gz QAQFDCUOMVPFBY-UHFFFAOYSA-N 1 2 371.872 4.414 40 0 FIABLO CC[N@H+](CCO)[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000028713546 571033988 /nfs/dbraw/zinc/03/39/88/571033988.db2.gz RVPWMLKHSGIZQE-KRWDZBQOSA-N 1 2 352.261 4.232 40 0 FIABLO CC[N@@H+](CCO)[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000028713546 571033993 /nfs/dbraw/zinc/03/39/93/571033993.db2.gz RVPWMLKHSGIZQE-KRWDZBQOSA-N 1 2 352.261 4.232 40 0 FIABLO Cc1cccc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)oc21 ZINC000226044484 571082567 /nfs/dbraw/zinc/08/25/67/571082567.db2.gz LLARAHGIFWJHRB-UXBLZVDNSA-N 1 2 360.457 4.212 40 0 FIABLO COc1ccccc1CN(CCCn1cc[nH+]c1)Cc1c(F)cccc1F ZINC000043277809 571100116 /nfs/dbraw/zinc/10/01/16/571100116.db2.gz WTVGDPREZZBFBJ-UHFFFAOYSA-N 1 2 371.431 4.262 40 0 FIABLO Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2)[nH+]1 ZINC000072353322 571182010 /nfs/dbraw/zinc/18/20/10/571182010.db2.gz OILYTJVHLROMOK-GOSISDBHSA-N 1 2 364.493 4.425 40 0 FIABLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358232 571183152 /nfs/dbraw/zinc/18/31/52/571183152.db2.gz GBCAPECQKHFILX-OAQYLSRUSA-N 1 2 364.468 4.365 40 0 FIABLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358232 571183155 /nfs/dbraw/zinc/18/31/55/571183155.db2.gz GBCAPECQKHFILX-OAQYLSRUSA-N 1 2 364.468 4.365 40 0 FIABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377446 571186631 /nfs/dbraw/zinc/18/66/31/571186631.db2.gz DKYDEGJUSVYHKQ-QGZVFWFLSA-N 1 2 367.478 4.022 40 0 FIABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377446 571186633 /nfs/dbraw/zinc/18/66/33/571186633.db2.gz DKYDEGJUSVYHKQ-QGZVFWFLSA-N 1 2 367.478 4.022 40 0 FIABLO COc1ccc(Oc2cncc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)cc1 ZINC000072383650 571188579 /nfs/dbraw/zinc/18/85/79/571188579.db2.gz YFGOXWSAJOTXIK-HXUWFJFHSA-N 1 2 362.433 4.010 40 0 FIABLO COc1ccc(Oc2cncc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)cc1 ZINC000072383650 571188581 /nfs/dbraw/zinc/18/85/81/571188581.db2.gz YFGOXWSAJOTXIK-HXUWFJFHSA-N 1 2 362.433 4.010 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cccc(F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329043071 210133568 /nfs/dbraw/zinc/13/35/68/210133568.db2.gz SQQKFOWQRKVTQZ-AWEZNQCLSA-N 1 2 350.441 4.389 40 0 FIABLO CSc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329025381 210130861 /nfs/dbraw/zinc/13/08/61/210130861.db2.gz PGNFVIGJIPGZGB-UHFFFAOYSA-N 1 2 354.523 4.408 40 0 FIABLO CNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328981962 210129676 /nfs/dbraw/zinc/12/96/76/210129676.db2.gz GXFPPDOFNIDNSN-UHFFFAOYSA-N 1 2 369.266 4.422 40 0 FIABLO Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329004291 210129583 /nfs/dbraw/zinc/12/95/83/210129583.db2.gz KQYVRNRELZAVTN-UHFFFAOYSA-N 1 2 358.489 4.262 40 0 FIABLO Cc1nc(N2CC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cc[nH+]1 ZINC000257289516 223052140 /nfs/dbraw/zinc/05/21/40/223052140.db2.gz PYZBGAVNFDHPIM-HNNXBMFYSA-N 1 2 354.841 4.011 40 0 FIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1c[nH+]cn1CCCC(C)(C)CO ZINC000019719693 211251949 /nfs/dbraw/zinc/25/19/49/211251949.db2.gz HXWMPNYZFLCDDM-UHFFFAOYSA-N 1 2 370.472 4.290 40 0 FIABLO CC(C)c1[nH+]ccn1[C@@H](C)c1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1 ZINC000019454339 211223090 /nfs/dbraw/zinc/22/30/90/211223090.db2.gz CYYCEZFKUDKQRX-ZDUSSCGKSA-N 1 2 365.412 4.170 40 0 FIABLO Cc1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]Cc3ccco3)cc12 ZINC000019565339 211232394 /nfs/dbraw/zinc/23/23/94/211232394.db2.gz UCXSEVSJXPIUJY-UHFFFAOYSA-N 1 2 352.825 4.265 40 0 FIABLO Cc1ccc(C23C[C@@H]4C[C@@H](CC(CC(=O)NC5=[NH+]CCS5)(C4)C2)C3)cc1 ZINC000016805052 211169895 /nfs/dbraw/zinc/16/98/95/211169895.db2.gz YEWJWJQVKNAHTJ-RGMRCXJASA-N 1 2 368.546 4.442 40 0 FIABLO COc1ccc(OC)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000057719101 221093117 /nfs/dbraw/zinc/09/31/17/221093117.db2.gz FVTCVWLMULDGRY-HNNXBMFYSA-N 1 2 364.445 4.035 40 0 FIABLO COc1ccc(OC)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000057719101 221093120 /nfs/dbraw/zinc/09/31/20/221093120.db2.gz FVTCVWLMULDGRY-HNNXBMFYSA-N 1 2 364.445 4.035 40 0 FIABLO FC(F)Oc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)CCO3 ZINC000057718761 221093156 /nfs/dbraw/zinc/09/31/56/221093156.db2.gz XJDQBAAFYIMGKN-UHFFFAOYSA-N 1 2 356.372 4.231 40 0 FIABLO FC(F)Oc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)CCO3 ZINC000057718761 221093159 /nfs/dbraw/zinc/09/31/59/221093159.db2.gz XJDQBAAFYIMGKN-UHFFFAOYSA-N 1 2 356.372 4.231 40 0 FIABLO Cc1nc(Nc2ccccc2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329070856 132373359 /nfs/dbraw/zinc/37/33/59/132373359.db2.gz ZKJITTIXCJHCAY-UHFFFAOYSA-N 1 2 374.488 4.319 40 0 FIABLO F[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112096 222029833 /nfs/dbraw/zinc/02/98/33/222029833.db2.gz VUWJMARBVQJSLW-UZLBHIALSA-N 1 2 365.408 4.048 40 0 biogenic,in-vitro FIABLO F[C@@H]1C[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2o1 ZINC000096112096 222029836 /nfs/dbraw/zinc/02/98/36/222029836.db2.gz VUWJMARBVQJSLW-UZLBHIALSA-N 1 2 365.408 4.048 40 0 biogenic,in-vitro FIABLO Cc1cc(NC(=O)c2nc3c(s2)CCCN3Cc2ccccc2)cc[nH+]1 ZINC000096146840 222048989 /nfs/dbraw/zinc/04/89/89/222048989.db2.gz NBMBLEUEHVWNAW-UHFFFAOYSA-N 1 2 364.474 4.052 40 0 FIABLO Fc1cccc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156562 222057007 /nfs/dbraw/zinc/05/70/07/222057007.db2.gz YOKQKSXBODYYBO-HXUWFJFHSA-N 1 2 373.435 4.268 40 0 FIABLO Fc1cccc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156562 222057009 /nfs/dbraw/zinc/05/70/09/222057009.db2.gz YOKQKSXBODYYBO-HXUWFJFHSA-N 1 2 373.435 4.268 40 0 FIABLO CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216483435 568125241 /nfs/dbraw/zinc/12/52/41/568125241.db2.gz CELDMQFKJWBLCB-QGZVFWFLSA-N 1 2 363.461 4.079 40 0 FIABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212891 570528531 /nfs/dbraw/zinc/52/85/31/570528531.db2.gz NPEUNFIJYSGHRI-IBGZPJMESA-N 1 2 353.466 4.402 40 0 FIABLO Cc1cc2ccccc2[nH+]c1NCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004886215 570672616 /nfs/dbraw/zinc/67/26/16/570672616.db2.gz QNFDHEJFWQFQKE-UHFFFAOYSA-N 1 2 363.505 4.288 40 0 FIABLO C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)o1 ZINC000043507074 570675996 /nfs/dbraw/zinc/67/59/96/570675996.db2.gz NRHZGOGTBCETOO-NPRQMZODSA-N 1 2 355.825 4.034 40 0 FIABLO S=c1n(C[NH+]2CCCC2)nc(-c2ccccc2)n1Cc1ccccc1 ZINC000408723747 570677341 /nfs/dbraw/zinc/67/73/41/570677341.db2.gz IOHAMHCPTQSTFY-UHFFFAOYSA-N 1 2 350.491 4.183 40 0 FIABLO O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030855137 571051250 /nfs/dbraw/zinc/05/12/50/571051250.db2.gz JCSAYLSVMSEMEB-UHFFFAOYSA-N 1 2 369.852 4.001 40 0 FIABLO O=C(Nc1cccc(Cl)c1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038757044 571086338 /nfs/dbraw/zinc/08/63/38/571086338.db2.gz GUKDBGUFVLAJSP-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO COc1ccc(F)c(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)c1 ZINC000043277854 571100136 /nfs/dbraw/zinc/10/01/36/571100136.db2.gz AKNYAMXOBRGFAX-UHFFFAOYSA-N 1 2 371.431 4.262 40 0 FIABLO COc1ccc(F)c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)c1 ZINC000043277854 571100138 /nfs/dbraw/zinc/10/01/38/571100138.db2.gz AKNYAMXOBRGFAX-UHFFFAOYSA-N 1 2 371.431 4.262 40 0 FIABLO CC[C@@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329033735 571107825 /nfs/dbraw/zinc/10/78/25/571107825.db2.gz QVKJOIHBZWDPOA-OAHLLOKOSA-N 1 2 366.896 4.463 40 0 FIABLO CSc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329045447 571108526 /nfs/dbraw/zinc/10/85/26/571108526.db2.gz TVFPLCPCWMELNF-UHFFFAOYSA-N 1 2 354.523 4.408 40 0 FIABLO Cc1cc(C)nc(N2CCC[C@@H]2c2ccc(Nc3[nH+]cccc3C)cn2)n1 ZINC000072353073 571181997 /nfs/dbraw/zinc/18/19/97/571181997.db2.gz KPDWDJFUEIUYQX-LJQANCHMSA-N 1 2 360.465 4.277 40 0 FIABLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358233 571183163 /nfs/dbraw/zinc/18/31/63/571183163.db2.gz GBCAPECQKHFILX-NRFANRHFSA-N 1 2 364.468 4.365 40 0 FIABLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358233 571183166 /nfs/dbraw/zinc/18/31/66/571183166.db2.gz GBCAPECQKHFILX-NRFANRHFSA-N 1 2 364.468 4.365 40 0 FIABLO c1csc(Nc2nccc([C@@H]3CCCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072377365 571186029 /nfs/dbraw/zinc/18/60/29/571186029.db2.gz ZYZUCZKBZWXWSX-KRWDZBQOSA-N 1 2 351.479 4.404 40 0 FIABLO c1csc(Nc2nccc([C@@H]3CCCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072377365 571186030 /nfs/dbraw/zinc/18/60/30/571186030.db2.gz ZYZUCZKBZWXWSX-KRWDZBQOSA-N 1 2 351.479 4.404 40 0 FIABLO c1csc(Nc2nccc([C@H]3CCCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072377364 571186098 /nfs/dbraw/zinc/18/60/98/571186098.db2.gz ZYZUCZKBZWXWSX-QGZVFWFLSA-N 1 2 351.479 4.404 40 0 FIABLO c1csc(Nc2nccc([C@H]3CCCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072377364 571186101 /nfs/dbraw/zinc/18/61/01/571186101.db2.gz ZYZUCZKBZWXWSX-QGZVFWFLSA-N 1 2 351.479 4.404 40 0 FIABLO CCOc1cc(CNc2cccc[nH+]2)cc(Br)c1OCC ZINC000019777536 571209960 /nfs/dbraw/zinc/20/99/60/571209960.db2.gz AHWGFGFAKQGUBM-UHFFFAOYSA-N 1 2 351.244 4.254 40 0 FIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(Br)cc1)C2 ZINC000008367550 571301014 /nfs/dbraw/zinc/30/10/14/571301014.db2.gz PSYPFYPIAHWPGI-UHFFFAOYSA-N 1 2 359.267 4.020 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)s1 ZINC000019692273 571304237 /nfs/dbraw/zinc/30/42/37/571304237.db2.gz PPWMGHFCPPHSMW-NRFANRHFSA-N 1 2 365.502 4.011 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)s1 ZINC000019692273 571304238 /nfs/dbraw/zinc/30/42/38/571304238.db2.gz PPWMGHFCPPHSMW-NRFANRHFSA-N 1 2 365.502 4.011 40 0 FIABLO Cc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000329053415 210133631 /nfs/dbraw/zinc/13/36/31/210133631.db2.gz VGNQZCUGMCXLBV-UHFFFAOYSA-N 1 2 373.504 4.048 40 0 FIABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cccc1C(F)(F)F ZINC000329035370 210133212 /nfs/dbraw/zinc/13/32/12/210133212.db2.gz REATUTFOLXYASX-UHFFFAOYSA-N 1 2 350.388 4.089 40 0 FIABLO CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329056132 210132433 /nfs/dbraw/zinc/13/24/33/210132433.db2.gz VRLBZNZZDPUXKM-UHFFFAOYSA-N 1 2 356.376 4.342 40 0 FIABLO Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328992511 210128653 /nfs/dbraw/zinc/12/86/53/210128653.db2.gz IWCODKQUJYSGBJ-FQEVSTJZSA-N 1 2 362.477 4.046 40 0 FIABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328968416 210127910 /nfs/dbraw/zinc/12/79/10/210127910.db2.gz CYSBDGIQXBFLOZ-UHFFFAOYSA-N 1 2 370.806 4.434 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328967517 210127548 /nfs/dbraw/zinc/12/75/48/210127548.db2.gz CUDGYLADWJBNME-CYBMUJFWSA-N 1 2 368.868 4.300 40 0 FIABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000328973209 210127172 /nfs/dbraw/zinc/12/71/72/210127172.db2.gz FAPFGVJNHJZRQV-UHFFFAOYSA-N 1 2 368.790 4.188 40 0 FIABLO Cc1c(OCC(F)(F)F)cc[nH+]c1CSc1nc2c(cccc2O)[nH]1 ZINC000065742915 210099913 /nfs/dbraw/zinc/09/99/13/210099913.db2.gz OQGIYDJVVFOGGO-UHFFFAOYSA-N 1 2 369.368 4.205 40 0 in-vitro FIABLO Cc1cc(N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)nc[nH+]1 ZINC000257243776 223035114 /nfs/dbraw/zinc/03/51/14/223035114.db2.gz IIMSZHWCMLDYEQ-QGZVFWFLSA-N 1 2 354.841 4.359 40 0 FIABLO c1ccc([C@H](c2nnnn2C2CCCCC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019369606 220253056 /nfs/dbraw/zinc/25/30/56/220253056.db2.gz KVYFDZZDTHTMTP-JOCHJYFZSA-N 1 2 373.504 4.326 40 0 FIABLO c1ccc([C@H](c2nnnn2C2CCCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000019369606 220253060 /nfs/dbraw/zinc/25/30/60/220253060.db2.gz KVYFDZZDTHTMTP-JOCHJYFZSA-N 1 2 373.504 4.326 40 0 FIABLO Cc1cc(C)n([C@@H](C)Cn2c[nH+]cc2-c2cnn(C3CCCCC3)c2)n1 ZINC000019654579 211242797 /nfs/dbraw/zinc/24/27/97/211242797.db2.gz XNASIXIZJMIDQN-KRWDZBQOSA-N 1 2 352.486 4.326 40 0 FIABLO CCc1nc2cc(NC(=O)c3ccccc3Cn3cc[nH+]c3)ccc2n1CC ZINC000019523221 211228205 /nfs/dbraw/zinc/22/82/05/211228205.db2.gz JHIXCCHLFOBOLC-UHFFFAOYSA-N 1 2 373.460 4.116 40 0 FIABLO Cc1ccc2oc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)cc2c1 ZINC000019221366 211207115 /nfs/dbraw/zinc/20/71/15/211207115.db2.gz SVBOGAVHFKDXFE-LJQANCHMSA-N 1 2 363.392 4.133 40 0 FIABLO Fc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)c(F)c1 ZINC000013989771 211067211 /nfs/dbraw/zinc/06/72/11/211067211.db2.gz ASZJIQWEZBIUQD-UHFFFAOYSA-N 1 2 368.383 4.291 40 0 FIABLO Fc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)c(F)c1 ZINC000013989771 211067213 /nfs/dbraw/zinc/06/72/13/211067213.db2.gz ASZJIQWEZBIUQD-UHFFFAOYSA-N 1 2 368.383 4.291 40 0 FIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(C)cc1 ZINC000057613804 221092042 /nfs/dbraw/zinc/09/20/42/221092042.db2.gz VKAACGJVQMXIEB-FQEVSTJZSA-N 1 2 363.509 4.348 40 0 FIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(C)cc1 ZINC000057613804 221092044 /nfs/dbraw/zinc/09/20/44/221092044.db2.gz VKAACGJVQMXIEB-FQEVSTJZSA-N 1 2 363.509 4.348 40 0 FIABLO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219861947 132275159 /nfs/dbraw/zinc/27/51/59/132275159.db2.gz FWBCLVUEDOBIEI-UHFFFAOYSA-N 1 2 366.461 4.027 40 0 FIABLO Cc1cc(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)nc[nH+]1 ZINC000257219444 132295025 /nfs/dbraw/zinc/29/50/25/132295025.db2.gz DGULRGPNDQRAPW-UHFFFAOYSA-N 1 2 366.440 4.061 40 0 FIABLO Cc1ccc(C[C@H]2C[NH+]=C(N3CCN(c4ccc(C)cc4)CC3)S2)cc1 ZINC000001440432 132382005 /nfs/dbraw/zinc/38/20/05/132382005.db2.gz HTMRLCSZIIDUDL-NRFANRHFSA-N 1 2 365.546 4.140 40 0 FIABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)s1 ZINC000096296167 222112176 /nfs/dbraw/zinc/11/21/76/222112176.db2.gz FTXILANNUIASJD-AWEZNQCLSA-N 1 2 351.903 4.498 40 0 biogenic,in-vitro FIABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)s1 ZINC000096296167 222112179 /nfs/dbraw/zinc/11/21/79/222112179.db2.gz FTXILANNUIASJD-AWEZNQCLSA-N 1 2 351.903 4.498 40 0 biogenic,in-vitro FIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3scnc3C)o2)cc1 ZINC000257242025 533810477 /nfs/dbraw/zinc/81/04/77/533810477.db2.gz IASNJNSJVBNJON-GOSISDBHSA-N 1 2 369.490 4.376 40 0 FIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3scnc3C)o2)cc1 ZINC000257242025 533810484 /nfs/dbraw/zinc/81/04/84/533810484.db2.gz IASNJNSJVBNJON-GOSISDBHSA-N 1 2 369.490 4.376 40 0 FIABLO CCCNc1[nH+]c([C@@H]2CCCN2C(=O)CC2CCCC2)c2sccn12 ZINC000257218413 528574278 /nfs/dbraw/zinc/57/42/78/528574278.db2.gz DDBFICFYSJYSAY-HNNXBMFYSA-N 1 2 360.527 4.462 40 0 FIABLO O=C(OCc1cccc(Cl)c1)C1C[NH+](Cc2cccc(Cl)c2)C1 ZINC000072202921 570526787 /nfs/dbraw/zinc/52/67/87/570526787.db2.gz VPKAOSJJLXJMEW-UHFFFAOYSA-N 1 2 350.245 4.169 40 0 FIABLO Cc1cc(SC(C)(C)C)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222625 570534759 /nfs/dbraw/zinc/53/47/59/570534759.db2.gz BNIXYZXIAXSMOH-UHFFFAOYSA-N 1 2 365.543 4.338 40 0 FIABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1SC(C)(C)C ZINC000072224712 570535313 /nfs/dbraw/zinc/53/53/13/570535313.db2.gz SFVPJODQXATMKR-UHFFFAOYSA-N 1 2 365.543 4.338 40 0 FIABLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000019080511 570879993 /nfs/dbraw/zinc/87/99/93/570879993.db2.gz FEJPHUMXWABNOY-CYBMUJFWSA-N 1 2 366.387 4.092 40 0 FIABLO CC(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000030849134 571050906 /nfs/dbraw/zinc/05/09/06/571050906.db2.gz GBRGMEZMCWIULG-JOCHJYFZSA-N 1 2 366.505 4.036 40 0 FIABLO COc1cc(C)c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C(C)C ZINC000225662802 571053526 /nfs/dbraw/zinc/05/35/26/571053526.db2.gz WGGVMJJCFYTRTR-UHFFFAOYSA-N 1 2 363.461 4.243 40 0 FIABLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cncc(Oc3cccnc3C)n2)n1 ZINC000072384174 571188866 /nfs/dbraw/zinc/18/88/66/571188866.db2.gz UIEIDAWOKQWLAI-IBGZPJMESA-N 1 2 361.449 4.013 40 0 FIABLO Cc1cccc(C[N@H+]2CCC[C@H]2c2cncc(Oc3cccnc3C)n2)n1 ZINC000072384174 571188869 /nfs/dbraw/zinc/18/88/69/571188869.db2.gz UIEIDAWOKQWLAI-IBGZPJMESA-N 1 2 361.449 4.013 40 0 FIABLO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000585182459 571238150 /nfs/dbraw/zinc/23/81/50/571238150.db2.gz XWJRNLKTLKVBPH-KRWDZBQOSA-N 1 2 372.472 4.073 40 0 FIABLO CC(C)(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329058358 210133644 /nfs/dbraw/zinc/13/36/44/210133644.db2.gz WCGXKQUZLMFGDA-UHFFFAOYSA-N 1 2 369.419 4.061 40 0 FIABLO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329048459 210133453 /nfs/dbraw/zinc/13/34/53/210133453.db2.gz UKIDIQCWWKKRKT-KRWDZBQOSA-N 1 2 374.916 4.219 40 0 FIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329045960 210132583 /nfs/dbraw/zinc/13/25/83/210132583.db2.gz TYNOHMGUJNVVTD-IBGZPJMESA-N 1 2 366.440 4.455 40 0 FIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)ccc1C(C)C ZINC000329022177 210130294 /nfs/dbraw/zinc/13/02/94/210130294.db2.gz OLNJIDQENRBDLM-UHFFFAOYSA-N 1 2 362.477 4.145 40 0 FIABLO CC(C)(C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000328963768 210126336 /nfs/dbraw/zinc/12/63/36/210126336.db2.gz BQSWYPGCNWALLJ-UHFFFAOYSA-N 1 2 367.884 4.436 40 0 FIABLO O=C(c1ccco1)N1CCC2(CCc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306131657 210053277 /nfs/dbraw/zinc/05/32/77/210053277.db2.gz KLKRLIXSRSHMPY-UHFFFAOYSA-N 1 2 367.474 4.073 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)s1 ZINC000257297082 223055358 /nfs/dbraw/zinc/05/53/58/223055358.db2.gz RFTDHIUJILAJTA-FQEVSTJZSA-N 1 2 369.465 4.226 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)s1 ZINC000257297082 223055360 /nfs/dbraw/zinc/05/53/60/223055360.db2.gz RFTDHIUJILAJTA-FQEVSTJZSA-N 1 2 369.465 4.226 40 0 FIABLO Fc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257302949 223057592 /nfs/dbraw/zinc/05/75/92/223057592.db2.gz SFCPIIFRFMWWTE-QHCPKHFHSA-N 1 2 362.448 4.385 40 0 FIABLO Fc1ccccc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257302949 223057594 /nfs/dbraw/zinc/05/75/94/223057594.db2.gz SFCPIIFRFMWWTE-QHCPKHFHSA-N 1 2 362.448 4.385 40 0 FIABLO Cc1[nH+]c(C2(C)CCN(C(=O)CCc3ccccc3)CC2)c2sccn12 ZINC000257330928 223068601 /nfs/dbraw/zinc/06/86/01/223068601.db2.gz XQPSUXIXZJXQNZ-UHFFFAOYSA-N 1 2 367.518 4.217 40 0 FIABLO COc1ccc2c(c1)C[C@@H](c1cccnc1)[NH2+][C@H]2c1ccc(F)c(F)c1 ZINC000019562589 211232430 /nfs/dbraw/zinc/23/24/30/211232430.db2.gz YGWITYBHUNQKIA-SFTDATJTSA-N 1 2 352.384 4.345 40 0 FIABLO CCCn1c(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000019526000 211228029 /nfs/dbraw/zinc/22/80/29/211228029.db2.gz PKAXSLWVTGFPSL-IBGZPJMESA-N 1 2 364.493 4.023 40 0 FIABLO CCCn1c(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)nc2ccccc21 ZINC000019526000 211228034 /nfs/dbraw/zinc/22/80/34/211228034.db2.gz PKAXSLWVTGFPSL-IBGZPJMESA-N 1 2 364.493 4.023 40 0 FIABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000016722809 211167499 /nfs/dbraw/zinc/16/74/99/211167499.db2.gz CPVHSSKCBSZLCU-UHFFFAOYSA-N 1 2 369.494 4.137 40 0 FIABLO CCOCc1cc(C[N@H+](Cc2ccco2)Cc2cccnc2)ccc1OC ZINC000013569367 211041544 /nfs/dbraw/zinc/04/15/44/211041544.db2.gz MTBMNBHKXNDVKM-UHFFFAOYSA-N 1 2 366.461 4.422 40 0 FIABLO CCOCc1cc(C[N@@H+](Cc2ccco2)Cc2cccnc2)ccc1OC ZINC000013569367 211041547 /nfs/dbraw/zinc/04/15/47/211041547.db2.gz MTBMNBHKXNDVKM-UHFFFAOYSA-N 1 2 366.461 4.422 40 0 FIABLO O=C(O[C@@]1(c2ccccc2)OCC[NH2+][C@@H]1c1ccccc1)c1ccccc1 ZINC000001666037 210366052 /nfs/dbraw/zinc/36/60/52/210366052.db2.gz OXGXVNCQHVJYIF-FYYLOGMGSA-N 1 2 359.425 4.058 40 0 FIABLO COc1cccc(C(=O)Nc2cc([NH+]3CCC(C)CC3)c(C)cc2N)c1 ZINC000226331514 132251043 /nfs/dbraw/zinc/25/10/43/132251043.db2.gz OKSJFWULTMKYEE-UHFFFAOYSA-N 1 2 353.466 4.074 40 0 FIABLO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060603586 136132449 /nfs/dbraw/zinc/13/24/49/136132449.db2.gz DAJMJVWSOHITBW-UHFFFAOYSA-N 1 2 360.461 4.174 40 0 FIABLO C[C@@H](Sc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000031850926 263392217 /nfs/dbraw/zinc/39/22/17/263392217.db2.gz PEMUYBYQTJPNEI-UFUQCMIWSA-N 1 2 366.530 4.025 40 0 FIABLO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020495575 525947836 /nfs/dbraw/zinc/94/78/36/525947836.db2.gz YICDOCBLNWJIED-QGZVFWFLSA-N 1 2 371.440 4.109 40 0 FIABLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2 ZINC000223003983 568589894 /nfs/dbraw/zinc/58/98/94/568589894.db2.gz YGCANRPMDJERKS-KRWDZBQOSA-N 1 2 359.473 4.301 40 0 FIABLO CCN(C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212747 570528035 /nfs/dbraw/zinc/52/80/35/570528035.db2.gz MUBKZNNFEKYGCO-LJQANCHMSA-N 1 2 353.466 4.402 40 0 FIABLO CCN(CC)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212832 570528133 /nfs/dbraw/zinc/52/81/33/570528133.db2.gz OABIVTCKEGWVRU-LJQANCHMSA-N 1 2 353.466 4.402 40 0 FIABLO CC[C@@H](C)Nc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213521 570529188 /nfs/dbraw/zinc/52/91/88/570529188.db2.gz SGJAZVYCQREVFE-VQIMIIECSA-N 1 2 373.522 4.126 40 0 FIABLO Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218795 570534509 /nfs/dbraw/zinc/53/45/09/570534509.db2.gz FWZKBYPJRDBDFT-FQEVSTJZSA-N 1 2 365.477 4.464 40 0 FIABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1CNC(=O)OC(C)(C)C ZINC000072224955 570535160 /nfs/dbraw/zinc/53/51/60/570535160.db2.gz VSIOWAKDSRXXKS-UHFFFAOYSA-N 1 2 353.466 4.499 40 0 FIABLO Cc1cc(NCCCn2cc[nH+]c2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000004902390 570673775 /nfs/dbraw/zinc/67/37/75/570673775.db2.gz ABPZFWGCBDFITF-UHFFFAOYSA-N 1 2 366.856 4.057 40 0 FIABLO CCc1[nH+]c2cc(NC(=O)c3ccc4nc(C)sc4c3)ccc2n1C ZINC000012147376 570723137 /nfs/dbraw/zinc/72/31/37/570723137.db2.gz DYASWILNOLNRNN-UHFFFAOYSA-N 1 2 350.447 4.306 40 0 FIABLO CCOCCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221247 570728936 /nfs/dbraw/zinc/72/89/36/570728936.db2.gz VISCQCLLGNEARR-UHFFFAOYSA-N 1 2 357.845 4.026 40 0 FIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000012221314 570729031 /nfs/dbraw/zinc/72/90/31/570729031.db2.gz AFLMXUDWDSUGQJ-UHFFFAOYSA-N 1 2 366.440 4.050 40 0 FIABLO CC(C)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000225221105 571023168 /nfs/dbraw/zinc/02/31/68/571023168.db2.gz NAIYRGGOEXSYPC-UHFFFAOYSA-N 1 2 369.534 4.030 40 0 FIABLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000225453256 571036713 /nfs/dbraw/zinc/03/67/13/571036713.db2.gz JWIBEPYZCBPYLE-UHFFFAOYSA-N 1 2 356.882 4.321 40 0 FIABLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030849675 571050855 /nfs/dbraw/zinc/05/08/55/571050855.db2.gz UDOIUOMZCFJEEF-AWEZNQCLSA-N 1 2 371.893 4.323 40 0 FIABLO COc1ccccc1[C@H]1c2cc3c(cc2O[C@H]([NH+]2CCCC2)[C@H]1C)OCO3 ZINC000031860838 571056047 /nfs/dbraw/zinc/05/60/47/571056047.db2.gz GUTQDDXXUDZPIR-RWGOJESNSA-N 1 2 367.445 4.006 40 0 FIABLO COc1ccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)c(C(C)(C)C)c1 ZINC000226073005 571082645 /nfs/dbraw/zinc/08/26/45/571082645.db2.gz NJKMNEDMZRRERW-MRXNPFEDSA-N 1 2 368.477 4.091 40 0 FIABLO Nc1cc(Nc2ccc(Br)cc2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467944 571109083 /nfs/dbraw/zinc/10/90/83/571109083.db2.gz UCOPJRLORVRVGP-UHFFFAOYSA-N 1 2 359.202 4.371 40 0 FIABLO Nc1cc(Nc2ccc(Br)cc2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467944 571109086 /nfs/dbraw/zinc/10/90/86/571109086.db2.gz UCOPJRLORVRVGP-UHFFFAOYSA-N 1 2 359.202 4.371 40 0 FIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329060735 571109201 /nfs/dbraw/zinc/10/92/01/571109201.db2.gz WNJBRFKDQCUPES-IBGZPJMESA-N 1 2 364.449 4.022 40 0 FIABLO COc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)cc(N)[nH+]2)cc1OC ZINC000049468182 571109544 /nfs/dbraw/zinc/10/95/44/571109544.db2.gz KOLPQDHDKBGMDX-UHFFFAOYSA-N 1 2 370.840 4.448 40 0 FIABLO COc1ccc(-c2nc(N)cc(Nc3ccc(C)c(Cl)c3)[nH+]2)cc1OC ZINC000049468182 571109546 /nfs/dbraw/zinc/10/95/46/571109546.db2.gz KOLPQDHDKBGMDX-UHFFFAOYSA-N 1 2 370.840 4.448 40 0 FIABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328996038 210128750 /nfs/dbraw/zinc/12/87/50/210128750.db2.gz JKCWGJTVWYCQPI-UHFFFAOYSA-N 1 2 366.465 4.051 40 0 FIABLO CNc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000328972635 210127188 /nfs/dbraw/zinc/12/71/88/210127188.db2.gz DWLIILHDRHOSRU-UHFFFAOYSA-N 1 2 358.367 4.100 40 0 FIABLO Cc1nc(N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cc[nH+]1 ZINC000257225249 223028519 /nfs/dbraw/zinc/02/85/19/223028519.db2.gz FFLGMFUUKXOWMY-KRWDZBQOSA-N 1 2 354.841 4.359 40 0 FIABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2nccs2)n1 ZINC000257291548 223052299 /nfs/dbraw/zinc/05/22/99/223052299.db2.gz QHMOSHHPAKJGIK-MRXNPFEDSA-N 1 2 369.494 4.241 40 0 FIABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2nccs2)n1 ZINC000257291548 223052303 /nfs/dbraw/zinc/05/23/03/223052303.db2.gz QHMOSHHPAKJGIK-MRXNPFEDSA-N 1 2 369.494 4.241 40 0 FIABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cncs2)nc(C)n1 ZINC000257327382 223067095 /nfs/dbraw/zinc/06/70/95/223067095.db2.gz XBCTXKPYJHCLLO-KRWDZBQOSA-N 1 2 366.494 4.026 40 0 FIABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cncs2)nc(C)n1 ZINC000257327382 223067097 /nfs/dbraw/zinc/06/70/97/223067097.db2.gz XBCTXKPYJHCLLO-KRWDZBQOSA-N 1 2 366.494 4.026 40 0 FIABLO Cc1[nH+]cc(NC(=O)CC(C)C)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000041124368 211769018 /nfs/dbraw/zinc/76/90/18/211769018.db2.gz MMDMWRDCAHXRCH-UHFFFAOYSA-N 1 2 358.442 4.428 40 0 FIABLO COc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c1OC ZINC000019568122 211234917 /nfs/dbraw/zinc/23/49/17/211234917.db2.gz AZNVDZHENRHWMO-HNNXBMFYSA-N 1 2 360.504 4.295 40 0 FIABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019558075 211232794 /nfs/dbraw/zinc/23/27/94/211232794.db2.gz ZYVFPLWIRDLHMM-KRWDZBQOSA-N 1 2 358.392 4.297 40 0 FIABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000019558075 211232798 /nfs/dbraw/zinc/23/27/98/211232798.db2.gz ZYVFPLWIRDLHMM-KRWDZBQOSA-N 1 2 358.392 4.297 40 0 FIABLO COc1cc(C)ccc1C[N@@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000019134095 211203161 /nfs/dbraw/zinc/20/31/61/211203161.db2.gz DSFWZMSEGNZLSS-UHFFFAOYSA-N 1 2 367.424 4.433 40 0 FIABLO COc1cc(C)ccc1C[N@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000019134095 211203166 /nfs/dbraw/zinc/20/31/66/211203166.db2.gz DSFWZMSEGNZLSS-UHFFFAOYSA-N 1 2 367.424 4.433 40 0 FIABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000226253826 132249894 /nfs/dbraw/zinc/24/98/94/132249894.db2.gz GDPZRYIIESQYGH-AWEZNQCLSA-N 1 2 357.885 4.482 40 0 FIABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000226253826 132249895 /nfs/dbraw/zinc/24/98/95/132249895.db2.gz GDPZRYIIESQYGH-AWEZNQCLSA-N 1 2 357.885 4.482 40 0 FIABLO CCCNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213232 570528693 /nfs/dbraw/zinc/52/86/93/570528693.db2.gz ZHATVGNJCHYEBE-IBGZPJMESA-N 1 2 373.522 4.128 40 0 FIABLO O=C(CCSc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408573344 570560898 /nfs/dbraw/zinc/56/08/98/570560898.db2.gz BXJXLJNGRUWJSP-JXMROGBWSA-N 1 2 366.530 4.026 40 0 FIABLO C[NH+]1CCN(N(C(=O)Nc2cccc3ccccc32)C2CCCCC2)CC1 ZINC000005510124 570628989 /nfs/dbraw/zinc/62/89/89/570628989.db2.gz ZPMOWMRDMQVBSY-UHFFFAOYSA-N 1 2 366.509 4.169 40 0 FIABLO S=c1oc(-c2ccccc2Br)nn1C[NH+]1CCCCCC1 ZINC000005680149 570633061 /nfs/dbraw/zinc/63/30/61/570633061.db2.gz KZXNHIUHZDFQNZ-UHFFFAOYSA-N 1 2 368.300 4.469 40 0 FIABLO C=COCCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012219406 570727960 /nfs/dbraw/zinc/72/79/60/570727960.db2.gz PLMWIFFZMWDETA-UHFFFAOYSA-N 1 2 355.829 4.149 40 0 FIABLO Fc1ccc(CNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012221812 570729070 /nfs/dbraw/zinc/72/90/70/570729070.db2.gz WYGHKSURQVHABS-UHFFFAOYSA-N 1 2 363.371 4.424 40 0 FIABLO O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000018077812 570871950 /nfs/dbraw/zinc/87/19/50/570871950.db2.gz JRRGRLSXZVAIKW-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO CC(C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000030755009 571049553 /nfs/dbraw/zinc/04/95/53/571049553.db2.gz CSCQZQPFINRNEK-JOCHJYFZSA-N 1 2 366.505 4.036 40 0 FIABLO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044854397 571103114 /nfs/dbraw/zinc/10/31/14/571103114.db2.gz LGDYUSRHTMYHRU-SFHVURJKSA-N 1 2 361.489 4.418 40 0 FIABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3ccccc3F)C2)c2sccn12 ZINC000585182471 571238218 /nfs/dbraw/zinc/23/82/18/571238218.db2.gz GHKJLWDAQSQZQO-IBGZPJMESA-N 1 2 357.454 4.037 40 0 FIABLO CC(C)(C)c1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095534036 571331361 /nfs/dbraw/zinc/33/13/61/571331361.db2.gz BRJWDKSQFPURIP-GOSISDBHSA-N 1 2 370.884 4.383 40 0 FIABLO CCN1CC[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216840502 210160775 /nfs/dbraw/zinc/16/07/75/210160775.db2.gz WJQIRZUQTFWMDO-UHFFFAOYSA-N 1 2 355.869 4.286 40 0 FIABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329051472 210133676 /nfs/dbraw/zinc/13/36/76/210133676.db2.gz UXWLFIYFAKZSRI-UHFFFAOYSA-N 1 2 361.287 4.411 40 0 FIABLO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000000794536 219321296 /nfs/dbraw/zinc/32/12/96/219321296.db2.gz SNOPWBIPXIYEHI-CYBMUJFWSA-N 1 2 351.233 4.091 40 0 FIABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cscn3)ccn2)n1 ZINC000257269632 223044307 /nfs/dbraw/zinc/04/43/07/223044307.db2.gz MQSXBHVRDSMJLT-KRWDZBQOSA-N 1 2 351.479 4.322 40 0 FIABLO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cscn3)ccn2)n1 ZINC000257269632 223044309 /nfs/dbraw/zinc/04/43/09/223044309.db2.gz MQSXBHVRDSMJLT-KRWDZBQOSA-N 1 2 351.479 4.322 40 0 FIABLO CCCc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc(OC)cc2)cn1 ZINC000013570271 220074641 /nfs/dbraw/zinc/07/46/41/220074641.db2.gz SAMINECZFXECOL-UHFFFAOYSA-N 1 2 362.477 4.035 40 0 FIABLO CCCc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)cc2)cn1 ZINC000013570271 220074643 /nfs/dbraw/zinc/07/46/43/220074643.db2.gz SAMINECZFXECOL-UHFFFAOYSA-N 1 2 362.477 4.035 40 0 FIABLO COc1cc(C)c2nc3c(cc2c1)C[N@@H+](CCc1ccc(F)cc1)CCO3 ZINC000013563838 220075251 /nfs/dbraw/zinc/07/52/51/220075251.db2.gz LADPKNLWJIOPPT-UHFFFAOYSA-N 1 2 366.436 4.128 40 0 FIABLO COc1cc(C)c2nc3c(cc2c1)C[N@H+](CCc1ccc(F)cc1)CCO3 ZINC000013563838 220075257 /nfs/dbraw/zinc/07/52/57/220075257.db2.gz LADPKNLWJIOPPT-UHFFFAOYSA-N 1 2 366.436 4.128 40 0 FIABLO Fc1cccc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1F ZINC000013989783 220099537 /nfs/dbraw/zinc/09/95/37/220099537.db2.gz SSUOXLMJBWRMSY-UHFFFAOYSA-N 1 2 368.383 4.291 40 0 FIABLO Fc1cccc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1F ZINC000013989783 220099539 /nfs/dbraw/zinc/09/95/39/220099539.db2.gz SSUOXLMJBWRMSY-UHFFFAOYSA-N 1 2 368.383 4.291 40 0 FIABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnn(-c2ccc(Cl)cc2)c1 ZINC000019719545 211251858 /nfs/dbraw/zinc/25/18/58/211251858.db2.gz OIFMYGHRKBSJRQ-UHFFFAOYSA-N 1 2 358.873 4.188 40 0 FIABLO CCN1CCc2cc(-c3c[nH+]cn3[C@H](C)Cc3c(C)nn(C)c3C)ccc21 ZINC000019719387 211251335 /nfs/dbraw/zinc/25/13/35/211251335.db2.gz WCIGEGYTFSAQBF-OAHLLOKOSA-N 1 2 363.509 4.087 40 0 FIABLO COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)[NH2+][C@H](c1ccccn1)C2 ZINC000019550740 211231764 /nfs/dbraw/zinc/23/17/64/211231764.db2.gz QAUBOEXDAOBODG-UGKGYDQZSA-N 1 2 364.420 4.214 40 0 FIABLO O=C(CCc1ccncc1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000019375823 211221711 /nfs/dbraw/zinc/22/17/11/211221711.db2.gz DKBJLVKGFYOVKL-UHFFFAOYSA-N 1 2 370.456 4.314 40 0 FIABLO O=C(CCCn1cc[nH+]c1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000019349649 211219394 /nfs/dbraw/zinc/21/93/94/211219394.db2.gz MEYJWJMZJFVEFA-UHFFFAOYSA-N 1 2 360.870 4.003 40 0 FIABLO CCC(C)(C)n1nnnc1[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000019499740 220264287 /nfs/dbraw/zinc/26/42/87/220264287.db2.gz XCDFDLDBOIGWIS-GOSISDBHSA-N 1 2 367.522 4.027 40 0 FIABLO CCC(C)(C)n1nnnc1[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000019499740 220264293 /nfs/dbraw/zinc/26/42/93/220264293.db2.gz XCDFDLDBOIGWIS-GOSISDBHSA-N 1 2 367.522 4.027 40 0 FIABLO CCN(CC)c1ccc(CCc2ccc([NH+](CC)CC)cc2N)c(N)c1 ZINC000001665870 210365439 /nfs/dbraw/zinc/36/54/39/210365439.db2.gz MBNOUYQICAVQDM-UHFFFAOYSA-N 1 2 354.542 4.329 40 0 FIABLO COc1ccc(OC)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000057719092 221093310 /nfs/dbraw/zinc/09/33/10/221093310.db2.gz FVTCVWLMULDGRY-OAHLLOKOSA-N 1 2 364.445 4.035 40 0 FIABLO COc1ccc(OC)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000057719092 221093312 /nfs/dbraw/zinc/09/33/12/221093312.db2.gz FVTCVWLMULDGRY-OAHLLOKOSA-N 1 2 364.445 4.035 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)COc3ccccc3C)CC2)cc1 ZINC000219864443 132275163 /nfs/dbraw/zinc/27/51/63/132275163.db2.gz ZXPBFYIBEKMBQW-LJQANCHMSA-N 1 2 366.505 4.104 40 0 FIABLO CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020104629 519010471 /nfs/dbraw/zinc/01/04/71/519010471.db2.gz WVLWQKBXQDLJNN-JLHYYAGUSA-N 1 2 359.473 4.499 40 0 FIABLO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216231351 568113691 /nfs/dbraw/zinc/11/36/91/568113691.db2.gz LWAXOWCYTBOPCW-KRWDZBQOSA-N 1 2 363.461 4.079 40 0 FIABLO CCCCc1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000006629220 570650555 /nfs/dbraw/zinc/65/05/55/570650555.db2.gz BASLRFXBZIUVDP-UHFFFAOYSA-N 1 2 357.523 4.137 40 0 FIABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000004966655 570675490 /nfs/dbraw/zinc/67/54/90/570675490.db2.gz KOBOGWNEWKIHLF-UHFFFAOYSA-N 1 2 364.489 4.145 40 0 FIABLO CC(C)=C[C@H]1[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C1(C)C ZINC000195543928 570881885 /nfs/dbraw/zinc/88/18/85/570881885.db2.gz GEYYXHYCGBGAQJ-CGTJXYLNSA-N 1 2 355.457 4.003 40 0 FIABLO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225373717 571031721 /nfs/dbraw/zinc/03/17/21/571031721.db2.gz SSJGFZUZVNCGAW-UHFFFAOYSA-N 1 2 374.271 4.428 40 0 FIABLO CC(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000030849136 571050886 /nfs/dbraw/zinc/05/08/86/571050886.db2.gz GBRGMEZMCWIULG-QFIPXVFZSA-N 1 2 366.505 4.036 40 0 FIABLO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1Br ZINC000038850308 571088347 /nfs/dbraw/zinc/08/83/47/571088347.db2.gz PUQRUNRUUYGDGZ-UHFFFAOYSA-N 1 2 370.250 4.255 40 0 FIABLO Cc1cc(C)cc(CSCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000044846014 571102793 /nfs/dbraw/zinc/10/27/93/571102793.db2.gz YKWLIVYXPAVCGG-UHFFFAOYSA-N 1 2 365.502 4.039 40 0 FIABLO C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044854399 571103157 /nfs/dbraw/zinc/10/31/57/571103157.db2.gz LGDYUSRHTMYHRU-GOSISDBHSA-N 1 2 361.489 4.418 40 0 FIABLO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1C ZINC000044856716 571103484 /nfs/dbraw/zinc/10/34/84/571103484.db2.gz YJDLBQLCRSAIAL-JOCHJYFZSA-N 1 2 366.505 4.017 40 0 FIABLO O=C(CSCc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044900740 571104133 /nfs/dbraw/zinc/10/41/33/571104133.db2.gz DMPHPCPHKBFIIL-UHFFFAOYSA-N 1 2 371.893 4.075 40 0 FIABLO C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1[nH+]ccn1C ZINC000183053405 571149994 /nfs/dbraw/zinc/14/99/94/571149994.db2.gz DBFJRZYFSZQICX-NSHDSACASA-N 1 2 366.412 4.413 40 0 FIABLO C[C@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccn1C ZINC000183053405 571149996 /nfs/dbraw/zinc/14/99/96/571149996.db2.gz DBFJRZYFSZQICX-NSHDSACASA-N 1 2 366.412 4.413 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(C2CC2)[nH+]1 ZINC000328959842 529702369 /nfs/dbraw/zinc/70/23/69/529702369.db2.gz AVESFOKLGITWCK-NSHDSACASA-N 1 2 364.415 4.479 40 0 FIABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000329071541 223131954 /nfs/dbraw/zinc/13/19/54/223131954.db2.gz ZQTFVGXEEFUZGK-UHFFFAOYSA-N 1 2 354.816 4.098 40 0 FIABLO Cc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329015923 223129029 /nfs/dbraw/zinc/12/90/29/223129029.db2.gz NDWFRVHUARWDLS-UHFFFAOYSA-N 1 2 373.504 4.048 40 0 FIABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](CCOc1ccc(F)cc1)CCO3 ZINC000013563780 220074251 /nfs/dbraw/zinc/07/42/51/220074251.db2.gz UVMURSIKZONNFX-UHFFFAOYSA-N 1 2 366.436 4.264 40 0 FIABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](CCOc1ccc(F)cc1)CCO3 ZINC000013563780 220074253 /nfs/dbraw/zinc/07/42/53/220074253.db2.gz UVMURSIKZONNFX-UHFFFAOYSA-N 1 2 366.436 4.264 40 0 FIABLO COc1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)c(OC)c1 ZINC000013569152 220074267 /nfs/dbraw/zinc/07/42/67/220074267.db2.gz FBIMEQJMGSQNIE-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)c(OC)c1 ZINC000013569152 220074270 /nfs/dbraw/zinc/07/42/70/220074270.db2.gz FBIMEQJMGSQNIE-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO COc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)c(OC)c1 ZINC000013568995 220075280 /nfs/dbraw/zinc/07/52/80/220075280.db2.gz NYFAEDQMQNNIGD-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO COc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)c(OC)c1 ZINC000013568995 220075283 /nfs/dbraw/zinc/07/52/83/220075283.db2.gz NYFAEDQMQNNIGD-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cnc(C(C)C)nc2)on1 ZINC000019120980 220237447 /nfs/dbraw/zinc/23/74/47/220237447.db2.gz PPOFRJXVEDMSPO-KRWDZBQOSA-N 1 2 366.469 4.014 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cnc(C(C)C)nc2)on1 ZINC000019120980 220237450 /nfs/dbraw/zinc/23/74/50/220237450.db2.gz PPOFRJXVEDMSPO-KRWDZBQOSA-N 1 2 366.469 4.014 40 0 FIABLO COc1ccc(-c2ncc(C[N@@H+]3CCn4cccc4[C@@H]3C(C)C)cn2)cc1 ZINC000019446152 220258593 /nfs/dbraw/zinc/25/85/93/220258593.db2.gz GTUJYBWROQJSGV-NRFANRHFSA-N 1 2 362.477 4.167 40 0 FIABLO COc1ccc(-c2ncc(C[N@H+]3CCn4cccc4[C@@H]3C(C)C)cn2)cc1 ZINC000019446152 220258598 /nfs/dbraw/zinc/25/85/98/220258598.db2.gz GTUJYBWROQJSGV-NRFANRHFSA-N 1 2 362.477 4.167 40 0 FIABLO Cc1sc2c(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)[nH+]c(C)n2c1C ZINC000019561789 220274180 /nfs/dbraw/zinc/27/41/80/220274180.db2.gz NPRWVKMIMOGLFB-INIZCTEOSA-N 1 2 357.523 4.383 40 0 FIABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019719714 220292522 /nfs/dbraw/zinc/29/25/22/220292522.db2.gz MDTLXQHOKUIFLC-UHFFFAOYSA-N 1 2 350.466 4.167 40 0 FIABLO CCCn1c2ccccc2nc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000057823219 221093687 /nfs/dbraw/zinc/09/36/87/221093687.db2.gz IZLMTZCIYQYSDW-UHFFFAOYSA-N 1 2 367.468 4.069 40 0 FIABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000226255054 132250315 /nfs/dbraw/zinc/25/03/15/132250315.db2.gz FWFFWBILSKSHMG-UHFFFAOYSA-N 1 2 374.282 4.274 40 0 FIABLO Clc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000328966988 132371967 /nfs/dbraw/zinc/37/19/67/132371967.db2.gz CQDLARLYTYHGGF-UHFFFAOYSA-N 1 2 350.853 4.305 40 0 FIABLO Clc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000328966988 132371968 /nfs/dbraw/zinc/37/19/68/132371968.db2.gz CQDLARLYTYHGGF-UHFFFAOYSA-N 1 2 350.853 4.305 40 0 FIABLO Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000328972137 132371983 /nfs/dbraw/zinc/37/19/83/132371983.db2.gz DTVUEHSTGWDIJK-INIZCTEOSA-N 1 2 360.461 4.145 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000329030337 132372763 /nfs/dbraw/zinc/37/27/63/132372763.db2.gz QCXZPFAFQZJUSQ-LBPRGKRZSA-N 1 2 361.287 4.012 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000329030337 132372764 /nfs/dbraw/zinc/37/27/64/132372764.db2.gz QCXZPFAFQZJUSQ-LBPRGKRZSA-N 1 2 361.287 4.012 40 0 FIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3cncs3)o2)cc1 ZINC000257258451 533810726 /nfs/dbraw/zinc/81/07/26/533810726.db2.gz KTXPAMPCPPTWSL-GOSISDBHSA-N 1 2 355.463 4.068 40 0 FIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3cncs3)o2)cc1 ZINC000257258451 533810737 /nfs/dbraw/zinc/81/07/37/533810737.db2.gz KTXPAMPCPPTWSL-GOSISDBHSA-N 1 2 355.463 4.068 40 0 FIABLO CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)cc1 ZINC000329046439 526782303 /nfs/dbraw/zinc/78/23/03/526782303.db2.gz UALMKDNJIZLGNJ-UHFFFAOYSA-N 1 2 362.477 4.011 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(C2CC2)[nH+]1 ZINC000329018388 529357709 /nfs/dbraw/zinc/35/77/09/529357709.db2.gz NRGQOKBMSLSKOK-GFCCVEGCSA-N 1 2 364.415 4.479 40 0 FIABLO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000023055037 568325576 /nfs/dbraw/zinc/32/55/76/568325576.db2.gz QMUCHQGAHUOBNQ-AHIWAGSCSA-N 1 2 357.325 4.366 40 0 FIABLO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000023055037 568325577 /nfs/dbraw/zinc/32/55/77/568325577.db2.gz QMUCHQGAHUOBNQ-AHIWAGSCSA-N 1 2 357.325 4.366 40 0 FIABLO CCCCNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213668 570529127 /nfs/dbraw/zinc/52/91/27/570529127.db2.gz OWWJOCUTRGWOSL-LJQANCHMSA-N 1 2 373.522 4.128 40 0 FIABLO O=C(Nc1ccc2c3c(cccc31)CC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110676620 570540154 /nfs/dbraw/zinc/54/01/54/570540154.db2.gz HPEGSGAHKZRUIL-UHFFFAOYSA-N 1 2 372.468 4.023 40 0 FIABLO CCc1[nH]c2ccc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)cc2[nH+]1 ZINC000012116925 570719623 /nfs/dbraw/zinc/71/96/23/570719623.db2.gz ZXDYIWPALKEBOL-UHFFFAOYSA-N 1 2 361.401 4.101 40 0 FIABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1c1cc(C)on1 ZINC000012185857 570724828 /nfs/dbraw/zinc/72/48/28/570724828.db2.gz ZZELSHPJBPILIR-KRWDZBQOSA-N 1 2 360.454 4.126 40 0 FIABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@H]1c1cc(C)on1 ZINC000012185857 570724831 /nfs/dbraw/zinc/72/48/31/570724831.db2.gz ZZELSHPJBPILIR-KRWDZBQOSA-N 1 2 360.454 4.126 40 0 FIABLO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038848680 571087665 /nfs/dbraw/zinc/08/76/65/571087665.db2.gz RDMAOIPVNLJJAP-UHFFFAOYSA-N 1 2 360.244 4.168 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378949 571187292 /nfs/dbraw/zinc/18/72/92/571187292.db2.gz FCEXRPORSZAQFA-GOSISDBHSA-N 1 2 352.482 4.244 40 0 FIABLO Cc1cc(OCC(=O)Nc2ccc(Br)cc2)c2ccccc2[nH+]1 ZINC000217444496 222671245 /nfs/dbraw/zinc/67/12/45/222671245.db2.gz VKNKOHFATLRUCO-UHFFFAOYSA-N 1 2 371.234 4.323 40 0 FIABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)nc1 ZINC000257272651 223045031 /nfs/dbraw/zinc/04/50/31/223045031.db2.gz NDHQLLXDEKXQRA-KRWDZBQOSA-N 1 2 366.856 4.001 40 0 FIABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)nc1 ZINC000257272651 223045034 /nfs/dbraw/zinc/04/50/34/223045034.db2.gz NDHQLLXDEKXQRA-KRWDZBQOSA-N 1 2 366.856 4.001 40 0 FIABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3ccccc3F)CC2)c2sccn12 ZINC000257267021 223044529 /nfs/dbraw/zinc/04/45/29/223044529.db2.gz MFQIAGQPLORSLI-UHFFFAOYSA-N 1 2 357.454 4.037 40 0 FIABLO COc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)c(OC)c1 ZINC000013569718 220074993 /nfs/dbraw/zinc/07/49/93/220074993.db2.gz RTTFFPXXBDDFMD-UHFFFAOYSA-N 1 2 354.475 4.363 40 0 FIABLO COc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c(OC)c1 ZINC000013569718 220074997 /nfs/dbraw/zinc/07/49/97/220074997.db2.gz RTTFFPXXBDDFMD-UHFFFAOYSA-N 1 2 354.475 4.363 40 0 FIABLO COc1cc2c(cc1C[NH2+][C@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019550638 220271715 /nfs/dbraw/zinc/27/17/15/220271715.db2.gz UFDLODKLPQVNSB-CQSZACIVSA-N 1 2 374.487 4.016 40 0 FIABLO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1OC ZINC000019568129 220274810 /nfs/dbraw/zinc/27/48/10/220274810.db2.gz RBMTXDIUEFCTNZ-HNNXBMFYSA-N 1 2 360.504 4.295 40 0 FIABLO COc1ccc(CCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000019571317 220276775 /nfs/dbraw/zinc/27/67/75/220276775.db2.gz CTVHMOQLSBNRIL-UHFFFAOYSA-N 1 2 363.461 4.210 40 0 FIABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000019718468 220289686 /nfs/dbraw/zinc/28/96/86/220289686.db2.gz XPFOMOITRPHYPJ-MRXNPFEDSA-N 1 2 373.460 4.043 40 0 FIABLO CCOc1ccc(-c2nc(Nc3ccccc3OCC)cc(N)[nH+]2)cc1 ZINC000049468106 221023320 /nfs/dbraw/zinc/02/33/20/221023320.db2.gz GLAAGXJNYRLEQT-UHFFFAOYSA-N 1 2 350.422 4.267 40 0 FIABLO Fc1ccccc1C[N@H+](Cc1cccnc1)Cc1cccc2nccnc12 ZINC000057796882 221093976 /nfs/dbraw/zinc/09/39/76/221093976.db2.gz ZUDUHKRLCJHFLW-UHFFFAOYSA-N 1 2 358.420 4.366 40 0 FIABLO Fc1ccccc1C[N@@H+](Cc1cccnc1)Cc1cccc2nccnc12 ZINC000057796882 221093979 /nfs/dbraw/zinc/09/39/79/221093979.db2.gz ZUDUHKRLCJHFLW-UHFFFAOYSA-N 1 2 358.420 4.366 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCCSc3ccccc3)CC2)cc1 ZINC000219851015 132274640 /nfs/dbraw/zinc/27/46/40/132274640.db2.gz SCJCWKDNOWPSQP-UHFFFAOYSA-N 1 2 354.519 4.120 40 0 FIABLO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219864513 132275201 /nfs/dbraw/zinc/27/52/01/132275201.db2.gz GINQSLPQMZKFPI-LJQANCHMSA-N 1 2 366.505 4.104 40 0 FIABLO C[C@@H]1CCCCN1c1nc(N2CCCC[C@H]2C)[nH+]c(N2CCCC[C@H]2C)n1 ZINC000248080362 132292120 /nfs/dbraw/zinc/29/21/20/132292120.db2.gz IRHBJWKEYATDJX-KZNAEPCWSA-N 1 2 372.561 4.008 40 0 FIABLO Brc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]cn1)C2 ZINC000328991956 132372215 /nfs/dbraw/zinc/37/22/15/132372215.db2.gz ITQBTIAPJBUQNG-UHFFFAOYSA-N 1 2 373.298 4.156 40 0 FIABLO Brc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc[nH+]1)C2 ZINC000328991956 132372216 /nfs/dbraw/zinc/37/22/16/132372216.db2.gz ITQBTIAPJBUQNG-UHFFFAOYSA-N 1 2 373.298 4.156 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000329017955 132372548 /nfs/dbraw/zinc/37/25/48/132372548.db2.gz NOEKDWBDEAZQMU-LBPRGKRZSA-N 1 2 361.287 4.012 40 0 FIABLO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000329017955 132372549 /nfs/dbraw/zinc/37/25/49/132372549.db2.gz NOEKDWBDEAZQMU-LBPRGKRZSA-N 1 2 361.287 4.012 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328971270 529357273 /nfs/dbraw/zinc/35/72/73/529357273.db2.gz DPKMJBWYLNAJJU-SNVBAGLBSA-N 1 2 351.281 4.459 40 0 FIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000216259261 568115111 /nfs/dbraw/zinc/11/51/11/568115111.db2.gz OZGKIHVBNNIDGX-PXLXIMEGSA-N 1 2 369.424 4.322 40 0 FIABLO O=C(O[C@]1(c2ccccc2)OCC[NH2+][C@@H]1c1ccccc1)c1ccccc1 ZINC000001666035 570504029 /nfs/dbraw/zinc/50/40/29/570504029.db2.gz OXGXVNCQHVJYIF-GGAORHGYSA-N 1 2 359.425 4.058 40 0 FIABLO CC[C@H](C)Nc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213522 570529177 /nfs/dbraw/zinc/52/91/77/570529177.db2.gz SGJAZVYCQREVFE-QFBILLFUSA-N 1 2 373.522 4.126 40 0 FIABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(OC)c1 ZINC000242702089 570609427 /nfs/dbraw/zinc/60/94/27/570609427.db2.gz CZDKZITTXGOBJH-UHFFFAOYSA-N 1 2 362.433 4.479 40 0 FIABLO C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)o1 ZINC000043507072 570676100 /nfs/dbraw/zinc/67/61/00/570676100.db2.gz NRHZGOGTBCETOO-CMLCRQCNSA-N 1 2 355.825 4.034 40 0 FIABLO CC[N@H+](CCCNC(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1 ZINC000225041647 571010949 /nfs/dbraw/zinc/01/09/49/571010949.db2.gz ZIBIJPIDCTULFH-UHFFFAOYSA-N 1 2 360.885 4.303 40 0 FIABLO CC[N@@H+](CCCNC(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1 ZINC000225041647 571010952 /nfs/dbraw/zinc/01/09/52/571010952.db2.gz ZIBIJPIDCTULFH-UHFFFAOYSA-N 1 2 360.885 4.303 40 0 FIABLO CC(C)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225452438 571036669 /nfs/dbraw/zinc/03/66/69/571036669.db2.gz BAXVHUSVVSHHIR-UHFFFAOYSA-N 1 2 350.491 4.482 40 0 FIABLO Cc1cc(C)nc(N2CCC[C@H]2c2ccc(Nc3[nH+]cccc3C)cn2)n1 ZINC000072353072 571182015 /nfs/dbraw/zinc/18/20/15/571182015.db2.gz KPDWDJFUEIUYQX-IBGZPJMESA-N 1 2 360.465 4.277 40 0 FIABLO CC(C)=C[C@H]1[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1(C)C ZINC000058413635 571351207 /nfs/dbraw/zinc/35/12/07/571351207.db2.gz GEYYXHYCGBGAQJ-JQHSSLGASA-N 1 2 355.457 4.003 40 0 FIABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000257319524 223064527 /nfs/dbraw/zinc/06/45/27/223064527.db2.gz VSXQVKMJXQJSNB-SFHVURJKSA-N 1 2 351.429 4.041 40 0 FIABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000257319524 223064530 /nfs/dbraw/zinc/06/45/30/223064530.db2.gz VSXQVKMJXQJSNB-SFHVURJKSA-N 1 2 351.429 4.041 40 0 FIABLO Cc1nc(C(=O)N2Cc3ccccc3[C@H](c3[nH+]ccn3C(C)C)C2)cs1 ZINC000306125936 223107159 /nfs/dbraw/zinc/10/71/59/223107159.db2.gz DGIBPORVWBBRFV-QGZVFWFLSA-N 1 2 366.490 4.017 40 0 FIABLO O=C(c1ccoc1)N1CCC2(CCc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306136729 223112270 /nfs/dbraw/zinc/11/22/70/223112270.db2.gz QBBRGZVZWBKVBG-UHFFFAOYSA-N 1 2 367.474 4.073 40 0 FIABLO Cc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328971645 223127338 /nfs/dbraw/zinc/12/73/38/223127338.db2.gz DRBBXEBQYAOCMI-UHFFFAOYSA-N 1 2 373.504 4.048 40 0 FIABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329025285 533043432 /nfs/dbraw/zinc/04/34/32/533043432.db2.gz PFHOJARQVHQHIB-UHFFFAOYSA-N 1 2 350.491 4.273 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2CCCc2ccccc2OC)c1C ZINC000019654508 220279967 /nfs/dbraw/zinc/27/99/67/220279967.db2.gz ULWKKXWYRRAGGF-UHFFFAOYSA-N 1 2 352.482 4.415 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2CCc2ccc(OC)c(C)c2)c1C ZINC000019654606 220281278 /nfs/dbraw/zinc/28/12/78/220281278.db2.gz VLKQQYBANOWMCP-UHFFFAOYSA-N 1 2 352.482 4.333 40 0 FIABLO Cc1cc(C)n([C@@H](C)Cn2c[nH+]cc2-c2cnc(N3CCCCC3)s2)n1 ZINC000019719446 220291649 /nfs/dbraw/zinc/29/16/49/220291649.db2.gz PZAYBAWMFDCEJO-INIZCTEOSA-N 1 2 370.526 4.071 40 0 FIABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000019687625 220285227 /nfs/dbraw/zinc/28/52/27/220285227.db2.gz RYBQEQCPUXBYFM-UHFFFAOYSA-N 1 2 372.472 4.054 40 0 FIABLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc3[nH]c(Cc4ccccc4)[nH+]c3c2)n1 ZINC000019716892 220290395 /nfs/dbraw/zinc/29/03/95/220290395.db2.gz MELPMXPFSUMZKS-MRXNPFEDSA-N 1 2 373.460 4.167 40 0 FIABLO Cc1c(OCC(F)(F)F)cc[nH+]c1CSc1nc2cc(O)ccc2[nH]1 ZINC000065742916 221235627 /nfs/dbraw/zinc/23/56/27/221235627.db2.gz KLUQLARNZLTQBV-UHFFFAOYSA-N 1 2 369.368 4.205 40 0 in-vitro FIABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccccc2Br)c1 ZINC000226254711 132250623 /nfs/dbraw/zinc/25/06/23/132250623.db2.gz UZXYSKVXVGSXRB-UHFFFAOYSA-N 1 2 374.282 4.274 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)cc1 ZINC000219864400 132275146 /nfs/dbraw/zinc/27/51/46/132275146.db2.gz ZXPBFYIBEKMBQW-IBGZPJMESA-N 1 2 366.505 4.104 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCCSC3CCCCC3)CC2)cc1 ZINC000219854215 132275185 /nfs/dbraw/zinc/27/51/85/132275185.db2.gz JRFIZNPMCWTCLN-UHFFFAOYSA-N 1 2 360.567 4.394 40 0 FIABLO Cc1ccc(SCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219851090 132275229 /nfs/dbraw/zinc/27/52/29/132275229.db2.gz RFHXSAJBYYPKFB-UHFFFAOYSA-N 1 2 368.546 4.428 40 0 FIABLO CSc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000224955132 132283737 /nfs/dbraw/zinc/28/37/37/132283737.db2.gz KMYORFPQYXSIKB-UHFFFAOYSA-N 1 2 362.520 4.200 40 0 FIABLO C[C@@H]1CCCCN1c1nc(N2CCCC[C@H]2C)[nH+]c(N2CCCC[C@@H]2C)n1 ZINC000248080265 132292005 /nfs/dbraw/zinc/29/20/05/132292005.db2.gz IRHBJWKEYATDJX-KURKYZTESA-N 1 2 372.561 4.008 40 0 FIABLO C[C@@H]1CCCCN1c1nc(N2CCCC[C@@H]2C)nc(N2CCCC[C@H]2C)[nH+]1 ZINC000248080265 132292007 /nfs/dbraw/zinc/29/20/07/132292007.db2.gz IRHBJWKEYATDJX-KURKYZTESA-N 1 2 372.561 4.008 40 0 FIABLO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020459397 525940489 /nfs/dbraw/zinc/94/04/89/525940489.db2.gz FIBRVRVOBHYQPK-KRWDZBQOSA-N 1 2 371.440 4.109 40 0 FIABLO CC(C)(C)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329055607 526336605 /nfs/dbraw/zinc/33/66/05/526336605.db2.gz VPNRNBKAZCWPPZ-UHFFFAOYSA-N 1 2 361.287 4.492 40 0 FIABLO CCNc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328958373 527995740 /nfs/dbraw/zinc/99/57/40/527995740.db2.gz ANBYIQWAISHTNJ-UHFFFAOYSA-N 1 2 374.366 4.061 40 0 FIABLO CC(C)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328985715 529111907 /nfs/dbraw/zinc/11/19/07/529111907.db2.gz HULCZSXNSMLMNJ-UHFFFAOYSA-N 1 2 356.832 4.344 40 0 FIABLO O=C(O[C@@]1(c2ccccc2)OCC[NH2+][C@H]1c1ccccc1)c1ccccc1 ZINC000001666036 570503962 /nfs/dbraw/zinc/50/39/62/570503962.db2.gz OXGXVNCQHVJYIF-JTHBVZDNSA-N 1 2 359.425 4.058 40 0 FIABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212806 570528004 /nfs/dbraw/zinc/52/80/04/570528004.db2.gz JDPJLKUYDPHSCG-IBGZPJMESA-N 1 2 353.466 4.402 40 0 FIABLO CCCNc1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213173 570528403 /nfs/dbraw/zinc/52/84/03/570528403.db2.gz JFNQYQWFJSQNJD-LJQANCHMSA-N 1 2 373.522 4.128 40 0 FIABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072215978 570533335 /nfs/dbraw/zinc/53/33/35/570533335.db2.gz FSCKMFCDTGHPFP-IBGZPJMESA-N 1 2 351.450 4.156 40 0 FIABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1 ZINC000243192412 570609628 /nfs/dbraw/zinc/60/96/28/570609628.db2.gz KALVIWPGOSAHRA-UHFFFAOYSA-N 1 2 362.433 4.494 40 0 FIABLO CC[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115018 570719193 /nfs/dbraw/zinc/71/91/93/570719193.db2.gz UEEUZEVBQVDJBV-QFBILLFUSA-N 1 2 369.415 4.098 40 0 FIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1 ZINC000006630110 570783999 /nfs/dbraw/zinc/78/39/99/570783999.db2.gz VXADBBUKZCZGCJ-UHFFFAOYSA-N 1 2 365.481 4.170 40 0 FIABLO Cc1nn(C)c(C)c1C[C@H](C)n1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019720034 570900784 /nfs/dbraw/zinc/90/07/84/570900784.db2.gz RVVUWWCPVDSZIO-HNNXBMFYSA-N 1 2 363.509 4.087 40 0 FIABLO O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225355022 571030063 /nfs/dbraw/zinc/03/00/63/571030063.db2.gz XRCDHWCRPVESJH-UHFFFAOYSA-N 1 2 374.271 4.428 40 0 FIABLO CC(C)C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000030755012 571049593 /nfs/dbraw/zinc/04/95/93/571049593.db2.gz CSCQZQPFINRNEK-QFIPXVFZSA-N 1 2 366.505 4.036 40 0 FIABLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358235 571183205 /nfs/dbraw/zinc/18/32/05/571183205.db2.gz SUCNJNVDEMNAQG-NRFANRHFSA-N 1 2 364.468 4.365 40 0 FIABLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358235 571183208 /nfs/dbraw/zinc/18/32/08/571183208.db2.gz SUCNJNVDEMNAQG-NRFANRHFSA-N 1 2 364.468 4.365 40 0 FIABLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377605 571186560 /nfs/dbraw/zinc/18/65/60/571186560.db2.gz WDMRTWJISRSOKZ-QGZVFWFLSA-N 1 2 366.856 4.001 40 0 FIABLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377605 571186562 /nfs/dbraw/zinc/18/65/62/571186562.db2.gz WDMRTWJISRSOKZ-QGZVFWFLSA-N 1 2 366.856 4.001 40 0 FIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000226260281 571275971 /nfs/dbraw/zinc/27/59/71/571275971.db2.gz DRKLKNAPPGCFTP-UHFFFAOYSA-N 1 2 355.482 4.256 40 0 FIABLO CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C1(C)C ZINC000195543925 222622473 /nfs/dbraw/zinc/62/24/73/222622473.db2.gz GEYYXHYCGBGAQJ-RYQLBKOJSA-N 1 2 355.457 4.003 40 0 FIABLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCCC2 ZINC000223003927 222761626 /nfs/dbraw/zinc/76/16/26/222761626.db2.gz YGCANRPMDJERKS-QGZVFWFLSA-N 1 2 359.473 4.301 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)s1 ZINC000257297083 223055737 /nfs/dbraw/zinc/05/57/37/223055737.db2.gz RFTDHIUJILAJTA-HXUWFJFHSA-N 1 2 369.465 4.226 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)s1 ZINC000257297083 223055740 /nfs/dbraw/zinc/05/57/40/223055740.db2.gz RFTDHIUJILAJTA-HXUWFJFHSA-N 1 2 369.465 4.226 40 0 FIABLO COc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c(OC)c1 ZINC000019552531 220272106 /nfs/dbraw/zinc/27/21/06/220272106.db2.gz XDPYASIYLAYJJT-INIZCTEOSA-N 1 2 360.504 4.295 40 0 FIABLO Cc1sc2c(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)[nH+]c(C)n2c1C ZINC000019561780 220274382 /nfs/dbraw/zinc/27/43/82/220274382.db2.gz CFKGMBWSYVLXDW-KRWDZBQOSA-N 1 2 357.523 4.383 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2CCCc2ccc(OC)cc2)c1C ZINC000019654470 220281127 /nfs/dbraw/zinc/28/11/27/220281127.db2.gz IUJXMPSUUQTXDW-UHFFFAOYSA-N 1 2 352.482 4.415 40 0 FIABLO O=C(CCSc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022524297 220389436 /nfs/dbraw/zinc/38/94/36/220389436.db2.gz XBWAXMJEILUTOI-UHFFFAOYSA-N 1 2 371.893 4.324 40 0 FIABLO CN(CCc1ccccc1)c1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(F)cc2)n1 ZINC000057761960 221092984 /nfs/dbraw/zinc/09/29/84/221092984.db2.gz KZHKVRHPTVZBQZ-UHFFFAOYSA-N 1 2 373.435 4.352 40 0 FIABLO Fc1ccc(-c2cc(CC3([NH2+]Cc4ccccc4Cl)COC3)no2)cc1 ZINC000067897861 221302898 /nfs/dbraw/zinc/30/28/98/221302898.db2.gz ZLCWGLHYIPAZNR-UHFFFAOYSA-N 1 2 372.827 4.235 40 0 biogenic,in-vitro FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1C ZINC000226253042 132249944 /nfs/dbraw/zinc/24/99/44/132249944.db2.gz WPBWPKJFXDVSRP-UHFFFAOYSA-N 1 2 367.493 4.139 40 0 FIABLO CC1(C)CCCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)C1 ZINC000057761965 136130188 /nfs/dbraw/zinc/13/01/88/136130188.db2.gz XQRGRJWEKXRMSI-UHFFFAOYSA-N 1 2 351.429 4.299 40 0 FIABLO COc1cccc(Cc2cc(C)[nH+]c(C3CCN(c4ncccn4)CC3)c2)c1 ZINC000072374082 136144879 /nfs/dbraw/zinc/14/48/79/136144879.db2.gz JKCNHFYLGQTWEZ-UHFFFAOYSA-N 1 2 374.488 4.163 40 0 FIABLO Fc1cccc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156564 222056106 /nfs/dbraw/zinc/05/61/06/222056106.db2.gz XHUYKYVCMVPFIW-HXUWFJFHSA-N 1 2 373.435 4.268 40 0 FIABLO Fc1cccc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156564 222056108 /nfs/dbraw/zinc/05/61/08/222056108.db2.gz XHUYKYVCMVPFIW-HXUWFJFHSA-N 1 2 373.435 4.268 40 0 FIABLO C[C@H](Sc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000031850928 263392170 /nfs/dbraw/zinc/39/21/70/263392170.db2.gz PEMUYBYQTJPNEI-BLRBJFNZSA-N 1 2 366.530 4.025 40 0 FIABLO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216483387 519847941 /nfs/dbraw/zinc/84/79/41/519847941.db2.gz CELDMQFKJWBLCB-KRWDZBQOSA-N 1 2 363.461 4.079 40 0 FIABLO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020459396 525935291 /nfs/dbraw/zinc/93/52/91/525935291.db2.gz FIBRVRVOBHYQPK-QGZVFWFLSA-N 1 2 371.440 4.109 40 0 FIABLO CCc1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1OC ZINC000224977766 536157131 /nfs/dbraw/zinc/15/71/31/536157131.db2.gz PYQWGQDQTPYRDD-UHFFFAOYSA-N 1 2 374.506 4.049 40 0 FIABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213519 570529018 /nfs/dbraw/zinc/52/90/18/570529018.db2.gz SGJAZVYCQREVFE-APWZRJJASA-N 1 2 373.522 4.126 40 0 FIABLO c1ccc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000243429339 570609911 /nfs/dbraw/zinc/60/99/11/570609911.db2.gz MYHBVBCJRGHDMQ-SFHVURJKSA-N 1 2 352.482 4.479 40 0 FIABLO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000035396231 570649710 /nfs/dbraw/zinc/64/97/10/570649710.db2.gz CVLQERGHEUVADM-MQIPJXDCSA-N 1 2 374.485 4.011 40 0 FIABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000004847664 570669864 /nfs/dbraw/zinc/66/98/64/570669864.db2.gz KFEFKQCYNZAUHV-IBGZPJMESA-N 1 2 357.477 4.139 40 0 FIABLO CC[NH+](CC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000408718437 570673002 /nfs/dbraw/zinc/67/30/02/570673002.db2.gz OAJARMRWCIXCJL-NTUHNPAUSA-N 1 2 359.278 4.329 40 0 FIABLO Cc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000004966643 570675539 /nfs/dbraw/zinc/67/55/39/570675539.db2.gz AGEMOIYMCGYFHZ-UHFFFAOYSA-N 1 2 370.880 4.182 40 0 FIABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000025561351 570997366 /nfs/dbraw/zinc/99/73/66/570997366.db2.gz LFKQZIVSGJMYDW-UHFFFAOYSA-N 1 2 365.260 4.078 40 0 FIABLO Fc1cccc(Cl)c1CSCCNC(=S)Nc1cc[nH+]cc1 ZINC000225370061 571031294 /nfs/dbraw/zinc/03/12/94/571031294.db2.gz QANVBJHSDXVJJN-UHFFFAOYSA-N 1 2 355.891 4.094 40 0 FIABLO Fc1ccc(F)c(CN(CCCn2cc[nH+]c2)Cc2ccccc2F)c1 ZINC000043277838 571100211 /nfs/dbraw/zinc/10/02/11/571100211.db2.gz URVOGHUGBIBMMJ-UHFFFAOYSA-N 1 2 359.395 4.393 40 0 FIABLO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044900744 571104111 /nfs/dbraw/zinc/10/41/11/571104111.db2.gz MEMPVFPBYVLSAN-QGZVFWFLSA-N 1 2 371.440 4.109 40 0 FIABLO Cc1nc(Nc2ccccc2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329033238 571107891 /nfs/dbraw/zinc/10/78/91/571107891.db2.gz QRUVCXZFHZFUNH-OAHLLOKOSA-N 1 2 360.461 4.145 40 0 FIABLO CC(C)(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329060846 571109073 /nfs/dbraw/zinc/10/90/73/571109073.db2.gz WOUXJPJJKVYSJC-UHFFFAOYSA-N 1 2 367.884 4.436 40 0 FIABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072383651 571188689 /nfs/dbraw/zinc/18/86/89/571188689.db2.gz IZCLDPWFIDIBSY-SFHVURJKSA-N 1 2 362.433 4.010 40 0 FIABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072383651 571188691 /nfs/dbraw/zinc/18/86/91/571188691.db2.gz IZCLDPWFIDIBSY-SFHVURJKSA-N 1 2 362.433 4.010 40 0 FIABLO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000585182460 571238175 /nfs/dbraw/zinc/23/81/75/571238175.db2.gz XWJRNLKTLKVBPH-QGZVFWFLSA-N 1 2 372.472 4.073 40 0 FIABLO Fc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCCCC2)cc1 ZINC000000883960 219336209 /nfs/dbraw/zinc/33/62/09/219336209.db2.gz JEYJRCRLRCBXGD-IBGZPJMESA-N 1 2 357.477 4.283 40 0 FIABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCC2)c2ccc(Cl)cc2)CC1 ZINC000004847717 219613736 /nfs/dbraw/zinc/61/37/36/219613736.db2.gz GLPVJQJNZOKJMK-SFHVURJKSA-N 1 2 359.905 4.263 40 0 FIABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2Cc2cncs2)n1 ZINC000257238718 223033635 /nfs/dbraw/zinc/03/36/35/223033635.db2.gz HMFYEHDOJLQJPF-QGZVFWFLSA-N 1 2 366.494 4.107 40 0 FIABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2Cc2cncs2)n1 ZINC000257238718 223033636 /nfs/dbraw/zinc/03/36/36/223033636.db2.gz HMFYEHDOJLQJPF-QGZVFWFLSA-N 1 2 366.494 4.107 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)s1 ZINC000257280766 223048154 /nfs/dbraw/zinc/04/81/54/223048154.db2.gz OMHFGFYPKKTDHL-NRFANRHFSA-N 1 2 365.502 4.011 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)s1 ZINC000257280766 223048157 /nfs/dbraw/zinc/04/81/57/223048157.db2.gz OMHFGFYPKKTDHL-NRFANRHFSA-N 1 2 365.502 4.011 40 0 FIABLO Cc1nc2cc(Nc3cc(-c4ccccc4)[nH+]c(NC4CC4)n3)ccc2s1 ZINC000328970764 223126905 /nfs/dbraw/zinc/12/69/05/223126905.db2.gz DMGYVONQDUVILN-UHFFFAOYSA-N 1 2 373.485 4.223 40 0 FIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(F)c1F ZINC000329000705 223127688 /nfs/dbraw/zinc/12/76/88/223127688.db2.gz KCDMIODMOKKOLR-UHFFFAOYSA-N 1 2 362.399 4.103 40 0 FIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000329022216 223130078 /nfs/dbraw/zinc/13/00/78/223130078.db2.gz OLZVLMWZJJXRJX-UHFFFAOYSA-N 1 2 360.864 4.479 40 0 FIABLO COc1ccccc1CC[N@@H+]1CCOc2nc3c(ccc(C)c3C)cc2C1 ZINC000013563799 220075033 /nfs/dbraw/zinc/07/50/33/220075033.db2.gz UCQVEXQERCKSIR-UHFFFAOYSA-N 1 2 362.473 4.297 40 0 FIABLO COc1ccccc1CC[N@H+]1CCOc2nc3c(ccc(C)c3C)cc2C1 ZINC000013563799 220075036 /nfs/dbraw/zinc/07/50/36/220075036.db2.gz UCQVEXQERCKSIR-UHFFFAOYSA-N 1 2 362.473 4.297 40 0 FIABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2F)c(OC)c1 ZINC000013989831 220100371 /nfs/dbraw/zinc/10/03/71/220100371.db2.gz TXTWTTAKRHLNPV-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2F)c(OC)c1 ZINC000013989831 220100373 /nfs/dbraw/zinc/10/03/73/220100373.db2.gz TXTWTTAKRHLNPV-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(Cl)cccc1Cl ZINC000013991884 220101898 /nfs/dbraw/zinc/10/18/98/220101898.db2.gz ZDZJDMHPLBHLQB-GFCCVEGCSA-N 1 2 368.260 4.105 40 0 FIABLO C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(Cl)cccc1Cl ZINC000013991884 220101901 /nfs/dbraw/zinc/10/19/01/220101901.db2.gz ZDZJDMHPLBHLQB-GFCCVEGCSA-N 1 2 368.260 4.105 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cnc(C(C)C)nc2)on1 ZINC000019120978 220237350 /nfs/dbraw/zinc/23/73/50/220237350.db2.gz PPOFRJXVEDMSPO-QGZVFWFLSA-N 1 2 366.469 4.014 40 0 FIABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cnc(C(C)C)nc2)on1 ZINC000019120978 220237353 /nfs/dbraw/zinc/23/73/53/220237353.db2.gz PPOFRJXVEDMSPO-QGZVFWFLSA-N 1 2 366.469 4.014 40 0 FIABLO Clc1ccc(-c2nc(NCc3ccccn3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000019401979 220255069 /nfs/dbraw/zinc/25/50/69/220255069.db2.gz ROQZBVKQICKNRL-UHFFFAOYSA-N 1 2 362.824 4.194 40 0 FIABLO Cc1c(-c2csc(NC(=O)[C@H](C)n3cc[nH+]c3)n2)c2ccccc2n1C ZINC000019581835 220276694 /nfs/dbraw/zinc/27/66/94/220276694.db2.gz ICQLSCRIKXLPJL-ZDUSSCGKSA-N 1 2 365.462 4.006 40 0 FIABLO COCc1ccc(OC)c(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1 ZINC000019594373 220278892 /nfs/dbraw/zinc/27/88/92/220278892.db2.gz OOLHBKQYIDEENV-QGZVFWFLSA-N 1 2 374.531 4.433 40 0 FIABLO CCN1CCc2cc(-c3c[nH+]cn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 ZINC000019719386 220292352 /nfs/dbraw/zinc/29/23/52/220292352.db2.gz WCIGEGYTFSAQBF-HNNXBMFYSA-N 1 2 363.509 4.087 40 0 FIABLO COc1ccc(C(=O)Nc2ccc(Cc3[nH]c4ccc(C)cc4[nH+]3)cc2)cn1 ZINC000019719156 220289621 /nfs/dbraw/zinc/28/96/21/220289621.db2.gz NYLPYIBSWFTQOI-UHFFFAOYSA-N 1 2 372.428 4.118 40 0 FIABLO CC(C)(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022267053 220381502 /nfs/dbraw/zinc/38/15/02/220381502.db2.gz OATXIQOZQQWNDZ-UHFFFAOYSA-N 1 2 352.478 4.069 40 0 FIABLO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)nc1 ZINC000049155349 221018605 /nfs/dbraw/zinc/01/86/05/221018605.db2.gz ZSNZNKBUDFMXSN-INIZCTEOSA-N 1 2 358.804 4.261 40 0 biogenic,in-vitro FIABLO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)nc1 ZINC000049155349 221018607 /nfs/dbraw/zinc/01/86/07/221018607.db2.gz ZSNZNKBUDFMXSN-INIZCTEOSA-N 1 2 358.804 4.261 40 0 biogenic,in-vitro FIABLO Clc1ccccc1C[NH2+]C1(Cc2cc(-c3ccccc3)on2)COC1 ZINC000067898010 221302520 /nfs/dbraw/zinc/30/25/20/221302520.db2.gz XYXBBZNGZAEIGK-UHFFFAOYSA-N 1 2 354.837 4.096 40 0 biogenic,in-vitro FIABLO CC[C@H](Oc1ccccc1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260607 221336863 /nfs/dbraw/zinc/33/68/63/221336863.db2.gz YSRGWZSQGSRVNI-INIZCTEOSA-N 1 2 371.510 4.092 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000226253082 132250125 /nfs/dbraw/zinc/25/01/25/132250125.db2.gz AFGPQIXRZBBMKX-QGZVFWFLSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000226253082 132250127 /nfs/dbraw/zinc/25/01/27/132250127.db2.gz AFGPQIXRZBBMKX-QGZVFWFLSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1cc(N2CCOCC2)nc(SCc2c(Cl)cccc2Cl)[nH+]1 ZINC000000877977 132252003 /nfs/dbraw/zinc/25/20/03/132252003.db2.gz WYCRDHRMIQNYRB-UHFFFAOYSA-N 1 2 370.305 4.221 40 0 FIABLO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219849656 132274813 /nfs/dbraw/zinc/27/48/13/132274813.db2.gz RVWQOFMMVSWFMA-UHFFFAOYSA-N 1 2 366.461 4.027 40 0 FIABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]3F)[nH]c2cc1C ZINC000096112337 222029527 /nfs/dbraw/zinc/02/95/27/222029527.db2.gz UYWHQOKGJZEVPP-XLIONFOSSA-N 1 2 371.431 4.058 40 0 biogenic,in-vitro FIABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]3F)[nH]c2cc1C ZINC000096112337 222029528 /nfs/dbraw/zinc/02/95/28/222029528.db2.gz UYWHQOKGJZEVPP-XLIONFOSSA-N 1 2 371.431 4.058 40 0 biogenic,in-vitro FIABLO COc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328962960 263469617 /nfs/dbraw/zinc/46/96/17/263469617.db2.gz BLMVKKSDNPJRSQ-UHFFFAOYSA-N 1 2 374.488 4.484 40 0 FIABLO Fc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329027141 534518650 /nfs/dbraw/zinc/51/86/50/534518650.db2.gz PRGQSCQCIYOZOV-UHFFFAOYSA-N 1 2 362.452 4.093 40 0 FIABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3cccc(F)c3)C2)c2sccn12 ZINC000257227108 534587785 /nfs/dbraw/zinc/58/77/85/534587785.db2.gz FNRWPLLQWVMVSK-IBGZPJMESA-N 1 2 357.454 4.037 40 0 FIABLO CCNc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329026966 527996499 /nfs/dbraw/zinc/99/64/99/527996499.db2.gz PPUKLIZLQWXZDG-UHFFFAOYSA-N 1 2 372.394 4.490 40 0 FIABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035425827 560080666 /nfs/dbraw/zinc/08/06/66/560080666.db2.gz XJBOUXSAXZVBGM-INIZCTEOSA-N 1 2 370.840 4.131 40 0 biogenic,in-vitro FIABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035425827 560080668 /nfs/dbraw/zinc/08/06/68/560080668.db2.gz XJBOUXSAXZVBGM-INIZCTEOSA-N 1 2 370.840 4.131 40 0 biogenic,in-vitro FIABLO Cc1cc(C)cc(CSCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000216352713 568119410 /nfs/dbraw/zinc/11/94/10/568119410.db2.gz XLAFOYCKDAGQPK-UHFFFAOYSA-N 1 2 365.502 4.039 40 0 FIABLO CCOC(=O)c1c[nH+]c2cc3c(cc2c1Nc1cccc(C)c1)OCO3 ZINC000001586144 570502168 /nfs/dbraw/zinc/50/21/68/570502168.db2.gz QLUUJDISVWJREK-UHFFFAOYSA-N 1 2 350.374 4.192 40 0 FIABLO CCN(CC)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212831 570528183 /nfs/dbraw/zinc/52/81/83/570528183.db2.gz OABIVTCKEGWVRU-IBGZPJMESA-N 1 2 353.466 4.402 40 0 FIABLO CC[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000012115016 570719196 /nfs/dbraw/zinc/71/91/96/570719196.db2.gz UEEUZEVBQVDJBV-LPHOPBHVSA-N 1 2 369.415 4.098 40 0 FIABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccc(C)s2)o1 ZINC000060016739 571135864 /nfs/dbraw/zinc/13/58/64/571135864.db2.gz LGAAWQLKVAXRPO-OAHLLOKOSA-N 1 2 355.463 4.452 40 0 FIABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1nnc(-c2ccc(C)s2)o1 ZINC000060016739 571135866 /nfs/dbraw/zinc/13/58/66/571135866.db2.gz LGAAWQLKVAXRPO-OAHLLOKOSA-N 1 2 355.463 4.452 40 0 FIABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072360103 571184200 /nfs/dbraw/zinc/18/42/00/571184200.db2.gz DLVMRIBRESXURI-KRWDZBQOSA-N 1 2 366.494 4.026 40 0 FIABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072360103 571184203 /nfs/dbraw/zinc/18/42/03/571184203.db2.gz DLVMRIBRESXURI-KRWDZBQOSA-N 1 2 366.494 4.026 40 0 FIABLO Cc1ccc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095534178 571331338 /nfs/dbraw/zinc/33/13/38/571331338.db2.gz JZJLEZPLAWROAV-IBGZPJMESA-N 1 2 350.466 4.038 40 0 FIABLO CC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329050774 529701761 /nfs/dbraw/zinc/70/17/61/529701761.db2.gz UUVLJJTVRVPTLA-HNNXBMFYSA-N 1 2 366.896 4.463 40 0 FIABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCC[N@@H+]2Cc2ccccc2F)n1 ZINC000257319523 223063965 /nfs/dbraw/zinc/06/39/65/223063965.db2.gz VSXQVKMJXQJSNB-GOSISDBHSA-N 1 2 351.429 4.041 40 0 FIABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCC[N@H+]2Cc2ccccc2F)n1 ZINC000257319523 223063967 /nfs/dbraw/zinc/06/39/67/223063967.db2.gz VSXQVKMJXQJSNB-GOSISDBHSA-N 1 2 351.429 4.041 40 0 FIABLO c1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329003463 223128131 /nfs/dbraw/zinc/12/81/31/223128131.db2.gz KNQMRXRQNXQILS-UHFFFAOYSA-N 1 2 358.489 4.344 40 0 FIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)ccc1Cl ZINC000329013031 223129526 /nfs/dbraw/zinc/12/95/26/223129526.db2.gz MMIKMCYJPURJCZ-AWEZNQCLSA-N 1 2 368.868 4.064 40 0 FIABLO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c(OC)c1 ZINC000019552537 220270336 /nfs/dbraw/zinc/27/03/36/220270336.db2.gz QUWMNCZBJKYRLR-INIZCTEOSA-N 1 2 360.504 4.295 40 0 FIABLO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[NH2+][C@H](c1cccnc1)C2 ZINC000019550765 220271214 /nfs/dbraw/zinc/27/12/14/220271214.db2.gz WTUQMCKADDZURO-UGKGYDQZSA-N 1 2 364.420 4.214 40 0 FIABLO COc1cccc(OC)c1C[NH2+][C@H](Cc1cccs1)c1nccs1 ZINC000019567136 220273878 /nfs/dbraw/zinc/27/38/78/220273878.db2.gz SRJIUSRSQHHLEP-OAHLLOKOSA-N 1 2 360.504 4.295 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2CCOc2cccc(C)c2C)c1C ZINC000019654632 220280088 /nfs/dbraw/zinc/28/00/88/220280088.db2.gz BNSSBSUVSSYZQW-UHFFFAOYSA-N 1 2 352.482 4.469 40 0 FIABLO Cc1cc(C)n([C@H](C)Cn2c[nH+]cc2-c2cnn(C3CCCCC3)c2)n1 ZINC000019654581 220281096 /nfs/dbraw/zinc/28/10/96/220281096.db2.gz XNASIXIZJMIDQN-QGZVFWFLSA-N 1 2 352.486 4.326 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000226253077 132249961 /nfs/dbraw/zinc/24/99/61/132249961.db2.gz AFGPQIXRZBBMKX-KRWDZBQOSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000226253077 132249964 /nfs/dbraw/zinc/24/99/64/132249964.db2.gz AFGPQIXRZBBMKX-KRWDZBQOSA-N 1 2 367.493 4.282 40 0 FIABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3cccc(F)c3)C2)c2sccn12 ZINC000257227109 534617077 /nfs/dbraw/zinc/61/70/77/534617077.db2.gz FNRWPLLQWVMVSK-LJQANCHMSA-N 1 2 357.454 4.037 40 0 FIABLO CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328956986 527995812 /nfs/dbraw/zinc/99/58/12/527995812.db2.gz AIAQAVQPKNMAET-UHFFFAOYSA-N 1 2 358.367 4.182 40 0 FIABLO CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329064073 527996567 /nfs/dbraw/zinc/99/65/67/527996567.db2.gz XHMVZXRHEDZHQZ-UHFFFAOYSA-N 1 2 359.260 4.470 40 0 FIABLO COc1cc(C)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c(C)c1 ZINC000224979762 536614312 /nfs/dbraw/zinc/61/43/12/536614312.db2.gz XVYKCEGDNWYLOJ-UHFFFAOYSA-N 1 2 374.506 4.103 40 0 FIABLO COc1ccccc1C(=O)Nc1cc([N@@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000226331624 537000705 /nfs/dbraw/zinc/00/07/05/537000705.db2.gz GKRMYNGMYFUGIZ-OAHLLOKOSA-N 1 2 353.466 4.217 40 0 FIABLO COc1ccccc1C(=O)Nc1cc([N@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000226331624 537000709 /nfs/dbraw/zinc/00/07/09/537000709.db2.gz GKRMYNGMYFUGIZ-OAHLLOKOSA-N 1 2 353.466 4.217 40 0 FIABLO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216257509 568115010 /nfs/dbraw/zinc/11/50/10/568115010.db2.gz YMKXWMPAVYZCPP-QGZVFWFLSA-N 1 2 371.440 4.109 40 0 FIABLO C[C@H]1[C@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2Cl)CCC[C@@H]1C ZINC000023055035 568325579 /nfs/dbraw/zinc/32/55/79/568325579.db2.gz QMUCHQGAHUOBNQ-OGHNNQOOSA-N 1 2 357.325 4.366 40 0 FIABLO C[C@H]1[C@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2Cl)CCC[C@@H]1C ZINC000023055035 568325580 /nfs/dbraw/zinc/32/55/80/568325580.db2.gz QMUCHQGAHUOBNQ-OGHNNQOOSA-N 1 2 357.325 4.366 40 0 FIABLO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000023156872 568380608 /nfs/dbraw/zinc/38/06/08/568380608.db2.gz GTIZUONOURJNBM-ZQIUZPCESA-N 1 2 370.522 4.181 40 0 FIABLO CCCCNc1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213608 570529214 /nfs/dbraw/zinc/52/92/14/570529214.db2.gz MPSULXZKPIQHLG-LJQANCHMSA-N 1 2 373.522 4.128 40 0 FIABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215917 570533561 /nfs/dbraw/zinc/53/35/61/570533561.db2.gz IUHWCVGVPGAVRF-LJQANCHMSA-N 1 2 351.450 4.156 40 0 FIABLO CCN(Cc1c[nH+]cn1C)c1ccc(N2CCCCC2)c(C(F)(F)F)c1 ZINC000019526660 570892236 /nfs/dbraw/zinc/89/22/36/570892236.db2.gz XYJFJKWGEYJAJF-UHFFFAOYSA-N 1 2 366.431 4.456 40 0 FIABLO O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225174547 571019324 /nfs/dbraw/zinc/01/93/24/571019324.db2.gz OCRNVVUPEPWXKF-UHFFFAOYSA-N 1 2 368.440 4.170 40 0 FIABLO Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000328999197 571106854 /nfs/dbraw/zinc/10/68/54/571106854.db2.gz JUSQQJALYGMMRT-UHFFFAOYSA-N 1 2 374.488 4.319 40 0 FIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)s1 ZINC000019692272 571304262 /nfs/dbraw/zinc/30/42/62/571304262.db2.gz PPWMGHFCPPHSMW-OAQYLSRUSA-N 1 2 365.502 4.011 40 0 FIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)s1 ZINC000019692272 571304263 /nfs/dbraw/zinc/30/42/63/571304263.db2.gz PPWMGHFCPPHSMW-OAQYLSRUSA-N 1 2 365.502 4.011 40 0 FIABLO CCOc1cc(C[N@H+](Cc2ccncc2)Cc2cccnc2)ccc1OC ZINC000013989662 220099746 /nfs/dbraw/zinc/09/97/46/220099746.db2.gz OKKIBZKADOKUNY-UHFFFAOYSA-N 1 2 363.461 4.086 40 0 FIABLO CCOc1cc(C[N@@H+](Cc2ccncc2)Cc2cccnc2)ccc1OC ZINC000013989662 220099750 /nfs/dbraw/zinc/09/97/50/220099750.db2.gz OKKIBZKADOKUNY-UHFFFAOYSA-N 1 2 363.461 4.086 40 0 FIABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2F)cc1OC ZINC000013989914 220099810 /nfs/dbraw/zinc/09/98/10/220099810.db2.gz QSAIFAQEVJIWJE-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2F)cc1OC ZINC000013989914 220099812 /nfs/dbraw/zinc/09/98/12/220099812.db2.gz QSAIFAQEVJIWJE-UHFFFAOYSA-N 1 2 366.436 4.440 40 0 FIABLO CCCn1nc(C)c(C[N@H+](Cc2ccc(C)o2)Cc2ccccn2)c1C ZINC000013991046 220101841 /nfs/dbraw/zinc/10/18/41/220101841.db2.gz NBVVOOBNDGPHHP-UHFFFAOYSA-N 1 2 352.482 4.409 40 0 FIABLO CCCn1nc(C)c(C[N@@H+](Cc2ccc(C)o2)Cc2ccccn2)c1C ZINC000013991046 220101843 /nfs/dbraw/zinc/10/18/43/220101843.db2.gz NBVVOOBNDGPHHP-UHFFFAOYSA-N 1 2 352.482 4.409 40 0 FIABLO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)c(OC)c1OC ZINC000019119399 220235390 /nfs/dbraw/zinc/23/53/90/220235390.db2.gz ALYNWEOLOLLCOH-QGZVFWFLSA-N 1 2 360.454 4.126 40 0 FIABLO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)c(OC)c1OC ZINC000019119399 220235392 /nfs/dbraw/zinc/23/53/92/220235392.db2.gz ALYNWEOLOLLCOH-QGZVFWFLSA-N 1 2 360.454 4.126 40 0 FIABLO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)o1 ZINC000019563025 220273255 /nfs/dbraw/zinc/27/32/55/220273255.db2.gz BUJVBMULGDWYAW-CQSZACIVSA-N 1 2 360.870 4.492 40 0 FIABLO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)o1 ZINC000019563025 220273259 /nfs/dbraw/zinc/27/32/59/220273259.db2.gz BUJVBMULGDWYAW-CQSZACIVSA-N 1 2 360.870 4.492 40 0 FIABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c1 ZINC000329007689 533018568 /nfs/dbraw/zinc/01/85/68/533018568.db2.gz LMVWOXUQDPSNEC-UHFFFAOYSA-N 1 2 350.491 4.273 40 0 FIABLO CCCn1nc(C)c(-c2c[nH+]cn2CCOc2ccc(C)cc2C)c1C ZINC000019654640 220281538 /nfs/dbraw/zinc/28/15/38/220281538.db2.gz KWNVQTZOEKNSEL-UHFFFAOYSA-N 1 2 352.482 4.469 40 0 FIABLO COc1ccc(-c2nc(Nc3ccccc3Cl)cc(N)[nH+]2)cc1OC ZINC000049468224 221023169 /nfs/dbraw/zinc/02/31/69/221023169.db2.gz UEXKVXZKBMRCSH-UHFFFAOYSA-N 1 2 356.813 4.140 40 0 FIABLO COc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)[nH+]2)cc1OC ZINC000049468142 221023359 /nfs/dbraw/zinc/02/33/59/221023359.db2.gz IIJUBGFUSZJZQW-UHFFFAOYSA-N 1 2 350.422 4.103 40 0 FIABLO COc1ccc(-c2nc(Nc3ccc(C)c(C)c3)cc(N)[nH+]2)cc1OC ZINC000049468142 221023362 /nfs/dbraw/zinc/02/33/62/221023362.db2.gz IIJUBGFUSZJZQW-UHFFFAOYSA-N 1 2 350.422 4.103 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378860 221487095 /nfs/dbraw/zinc/48/70/95/221487095.db2.gz WLEVMWABLHIWCT-IBGZPJMESA-N 1 2 360.461 4.368 40 0 FIABLO Cc1ccc(CCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219861500 132275218 /nfs/dbraw/zinc/27/52/18/132275218.db2.gz XZQNONLVDQWERE-UHFFFAOYSA-N 1 2 350.506 4.269 40 0 FIABLO CC(C)(C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000329016892 132372534 /nfs/dbraw/zinc/37/25/34/132372534.db2.gz NJXOIDWGNCMSKD-UHFFFAOYSA-N 1 2 367.497 4.145 40 0 FIABLO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329045997 132373030 /nfs/dbraw/zinc/37/30/30/132373030.db2.gz TYTSFFOGEVZJOY-UHFFFAOYSA-N 1 2 360.461 4.354 40 0 FIABLO CCNc1nc(Nc2c(C)cc(Cl)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329005715 527995528 /nfs/dbraw/zinc/99/55/28/527995528.db2.gz KYRHYDIQOKWCNK-UHFFFAOYSA-N 1 2 352.869 4.433 40 0 FIABLO CCNc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329038602 527995702 /nfs/dbraw/zinc/99/57/02/527995702.db2.gz RSVRUJDORYLXAK-UHFFFAOYSA-N 1 2 372.394 4.490 40 0 FIABLO CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067703 527995878 /nfs/dbraw/zinc/99/58/78/527995878.db2.gz YKGGRUWYNIHRDE-UHFFFAOYSA-N 1 2 374.366 4.061 40 0 FIABLO CC(C)n1ccc2c1C[N@H+](CC1CC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306126154 528601245 /nfs/dbraw/zinc/60/12/45/528601245.db2.gz DOMOEVFOBMLXOC-UHFFFAOYSA-N 1 2 361.493 4.101 40 0 FIABLO CC(C)n1ccc2c1C[N@@H+](CC1CC1)Cc1cn(Cc3ccccn3)nc1-2 ZINC000306126154 528601249 /nfs/dbraw/zinc/60/12/49/528601249.db2.gz DOMOEVFOBMLXOC-UHFFFAOYSA-N 1 2 361.493 4.101 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329005952 529356499 /nfs/dbraw/zinc/35/64/99/529356499.db2.gz LBGCJNNYFGWZBM-CQSZACIVSA-N 1 2 366.440 4.089 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328981189 529357669 /nfs/dbraw/zinc/35/76/69/529357669.db2.gz GSIKMWLYPQUTBQ-SNVBAGLBSA-N 1 2 351.281 4.459 40 0 FIABLO COc1ccc(C(=O)CN(c2ccccc2OC)C2=[NH+]CCCCC2)cc1 ZINC000007275451 568230960 /nfs/dbraw/zinc/23/09/60/568230960.db2.gz WLDMYQQVOHXSRH-UHFFFAOYSA-N 1 2 366.461 4.366 40 0 FIABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)cc1C ZINC000219247570 568279260 /nfs/dbraw/zinc/27/92/60/568279260.db2.gz MDLHPIKWHHPIOR-QFIPXVFZSA-N 1 2 366.505 4.017 40 0 FIABLO CCCCNc1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213607 570529267 /nfs/dbraw/zinc/52/92/67/570529267.db2.gz MPSULXZKPIQHLG-IBGZPJMESA-N 1 2 373.522 4.128 40 0 FIABLO O=C(NCCCn1cc[nH+]c1)N1c2ccccc2Sc2ccccc21 ZINC000009974926 570698110 /nfs/dbraw/zinc/69/81/10/570698110.db2.gz FMBQAVFYTMTRML-UHFFFAOYSA-N 1 2 350.447 4.286 40 0 FIABLO CCc1[nH]c2ccc(NC(=O)c3nc(-c4ccc(F)cc4)oc3C)cc2[nH+]1 ZINC000012116928 570719660 /nfs/dbraw/zinc/71/96/60/570719660.db2.gz QDFPRXWZGSSWLG-UHFFFAOYSA-N 1 2 364.380 4.480 40 0 FIABLO Cc1nn([C@H](C)Cn2c[nH+]cc2-c2ccc3c(c2)CCCN3C)c(C)c1C ZINC000019720022 570900903 /nfs/dbraw/zinc/90/09/03/570900903.db2.gz HHXSMTMEGGRIHY-OAHLLOKOSA-N 1 2 363.509 4.315 40 0 FIABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)c(C)c1 ZINC000224606179 570994371 /nfs/dbraw/zinc/99/43/71/570994371.db2.gz AZJIBERCEBWROA-FQEVSTJZSA-N 1 2 363.461 4.130 40 0 FIABLO CCOc1ccc(C(=O)NCCC[N@H+](C)c2ccc(C)cc2)cc1OCC ZINC000225067000 571012894 /nfs/dbraw/zinc/01/28/94/571012894.db2.gz OIZAIZUEDYQDSZ-UHFFFAOYSA-N 1 2 370.493 4.049 40 0 FIABLO CCOc1ccc(C(=O)NCCC[N@@H+](C)c2ccc(C)cc2)cc1OCC ZINC000225067000 571012895 /nfs/dbraw/zinc/01/28/95/571012895.db2.gz OIZAIZUEDYQDSZ-UHFFFAOYSA-N 1 2 370.493 4.049 40 0 FIABLO O=C(CCc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225307862 571027511 /nfs/dbraw/zinc/02/75/11/571027511.db2.gz STOSGWOAFGABOL-QPJJXVBHSA-N 1 2 368.908 4.130 40 0 FIABLO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000225453358 571036480 /nfs/dbraw/zinc/03/64/80/571036480.db2.gz ZQCFWJDMZFKCTG-UHFFFAOYSA-N 1 2 372.881 4.021 40 0 FIABLO Fc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000225453668 571036645 /nfs/dbraw/zinc/03/66/45/571036645.db2.gz DTEAEGFVQCIEPT-UHFFFAOYSA-N 1 2 360.845 4.151 40 0 FIABLO Cc1cccc(C(C)C)c1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044838864 571102138 /nfs/dbraw/zinc/10/21/38/571102138.db2.gz XNDXHADXQQFAJG-UHFFFAOYSA-N 1 2 352.478 4.203 40 0 FIABLO CC(C)(C)c1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044900190 571103740 /nfs/dbraw/zinc/10/37/40/571103740.db2.gz WXXNJDDDBLFSGU-UHFFFAOYSA-N 1 2 361.489 4.419 40 0 FIABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329032753 571107862 /nfs/dbraw/zinc/10/78/62/571107862.db2.gz QPQSFMMLYHOQRH-SNVBAGLBSA-N 1 2 351.281 4.459 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000329033224 571107911 /nfs/dbraw/zinc/10/79/11/571107911.db2.gz QRQLTISNDCLBKH-GFCCVEGCSA-N 1 2 366.387 4.148 40 0 FIABLO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000329033224 571107913 /nfs/dbraw/zinc/10/79/13/571107913.db2.gz QRQLTISNDCLBKH-GFCCVEGCSA-N 1 2 366.387 4.148 40 0 FIABLO Cc1nc(Nc2ccccc2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329033236 571107964 /nfs/dbraw/zinc/10/79/64/571107964.db2.gz QRUVCXZFHZFUNH-HNNXBMFYSA-N 1 2 360.461 4.145 40 0 FIABLO CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329060601 571109196 /nfs/dbraw/zinc/10/91/96/571109196.db2.gz WMRFTNDBUPBLTP-UHFFFAOYSA-N 1 2 358.367 4.182 40 0 FIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378861 571187206 /nfs/dbraw/zinc/18/72/06/571187206.db2.gz WLEVMWABLHIWCT-LJQANCHMSA-N 1 2 360.461 4.368 40 0 FIABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccc(Br)c1 ZINC000226261145 571275974 /nfs/dbraw/zinc/27/59/74/571275974.db2.gz UPCDVVNEKVQNKZ-UHFFFAOYSA-N 1 2 362.271 4.130 40 0 FIABLO [NH3+][C@@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095534004 571331372 /nfs/dbraw/zinc/33/13/72/571331372.db2.gz BEYXYCCQWXMRCH-CYBMUJFWSA-N 1 2 352.747 4.192 40 0 FIABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328971269 529702738 /nfs/dbraw/zinc/70/27/38/529702738.db2.gz DPKMJBWYLNAJJU-JTQLQIEISA-N 1 2 351.281 4.459 40 0 FIABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(NC4CCCC4)n3)ccc2s1 ZINC000329036453 223130918 /nfs/dbraw/zinc/13/09/18/223130918.db2.gz RIXHRBFTVMZBAT-UHFFFAOYSA-N 1 2 365.506 4.214 40 0 FIABLO Fc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329070037 223131906 /nfs/dbraw/zinc/13/19/06/223131906.db2.gz ZDGBVGYGWVUAGS-UHFFFAOYSA-N 1 2 360.864 4.479 40 0 FIABLO Cn1c2c(n3cc(-c4ccc(F)cc4)[nH+]c13)CN(Cc1ccsc1)CC2 ZINC000306143786 223114552 /nfs/dbraw/zinc/11/45/52/223114552.db2.gz YMEIZAXAVILHFF-UHFFFAOYSA-N 1 2 366.465 4.099 40 0 FIABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329069101 223132383 /nfs/dbraw/zinc/13/23/83/223132383.db2.gz YVCRFQKVVOLVEC-UHFFFAOYSA-N 1 2 350.388 4.089 40 0 FIABLO Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328958964 223126581 /nfs/dbraw/zinc/12/65/81/223126581.db2.gz ARLOBMAIJWROAC-UHFFFAOYSA-N 1 2 358.489 4.262 40 0 FIABLO COc1cccc(CC[N@@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)c1 ZINC000013563801 220074433 /nfs/dbraw/zinc/07/44/33/220074433.db2.gz FWKQBQFKGPVIEG-UHFFFAOYSA-N 1 2 362.473 4.297 40 0 FIABLO COc1cccc(CC[N@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)c1 ZINC000013563801 220074435 /nfs/dbraw/zinc/07/44/35/220074435.db2.gz FWKQBQFKGPVIEG-UHFFFAOYSA-N 1 2 362.473 4.297 40 0 FIABLO Cc1ccc(-c2c[nH]n3c2nc([C@@H](C)n2cc[nH+]c2C(C)C)cc3=O)cc1 ZINC000019212934 220239089 /nfs/dbraw/zinc/23/90/89/220239089.db2.gz YWGRCYASQCMFFY-OAHLLOKOSA-N 1 2 361.449 4.340 40 0 FIABLO Cc1sc2c(C3CCN(C(=O)c4ncccc4C)CC3)[nH+]c(C)n2c1C ZINC000019237605 220243764 /nfs/dbraw/zinc/24/37/64/220243764.db2.gz ODMMPISOGSKVSZ-UHFFFAOYSA-N 1 2 368.506 4.044 40 0 FIABLO CCc1onc(C)c1C(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000019521170 220266290 /nfs/dbraw/zinc/26/62/90/220266290.db2.gz OHPTYFXSQUKSFZ-UHFFFAOYSA-N 1 2 374.444 4.459 40 0 FIABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019550648 220271702 /nfs/dbraw/zinc/27/17/02/220271702.db2.gz BBVOMCLHEPYVGC-AWEZNQCLSA-N 1 2 374.487 4.016 40 0 FIABLO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c(OC)c1 ZINC000019552534 220272153 /nfs/dbraw/zinc/27/21/53/220272153.db2.gz XDPYASIYLAYJJT-MRXNPFEDSA-N 1 2 360.504 4.295 40 0 FIABLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3[nH]c(Cc4ccccc4)[nH+]c3c2)n1 ZINC000019716891 220290769 /nfs/dbraw/zinc/29/07/69/220290769.db2.gz MELPMXPFSUMZKS-INIZCTEOSA-N 1 2 373.460 4.167 40 0 FIABLO CC[C@@H](Oc1ccccc1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260608 221336633 /nfs/dbraw/zinc/33/66/33/221336633.db2.gz YSRGWZSQGSRVNI-MRXNPFEDSA-N 1 2 371.510 4.092 40 0 FIABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000328993798 533485345 /nfs/dbraw/zinc/48/53/45/533485345.db2.gz JCCRNAJMEUBCGD-UHFFFAOYSA-N 1 2 362.477 4.397 40 0 FIABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 ZINC000219861568 132275011 /nfs/dbraw/zinc/27/50/11/132275011.db2.gz MFCNBSQWGCRTQT-UHFFFAOYSA-N 1 2 350.506 4.269 40 0 FIABLO O=C(c1cccs1)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096263425 222105225 /nfs/dbraw/zinc/10/52/25/222105225.db2.gz WRGDELJXYMIBMF-UHFFFAOYSA-N 1 2 363.486 4.189 40 0 FIABLO Fc1cccc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156563 222056254 /nfs/dbraw/zinc/05/62/54/222056254.db2.gz XHUYKYVCMVPFIW-FQEVSTJZSA-N 1 2 373.435 4.268 40 0 FIABLO Fc1cccc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156563 222056257 /nfs/dbraw/zinc/05/62/57/222056257.db2.gz XHUYKYVCMVPFIW-FQEVSTJZSA-N 1 2 373.435 4.268 40 0 FIABLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238554 263378995 /nfs/dbraw/zinc/37/89/95/263378995.db2.gz ODJBPWCOHXCUEX-MRXNPFEDSA-N 1 2 374.937 4.165 40 0 FIABLO CC(C)(C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000328972603 526336199 /nfs/dbraw/zinc/33/61/99/526336199.db2.gz DVQBGIFSWXAWDS-UHFFFAOYSA-N 1 2 367.884 4.436 40 0 FIABLO CC(C)(C)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329031711 526337359 /nfs/dbraw/zinc/33/73/59/526337359.db2.gz QJVTUFLEKGUJPE-UHFFFAOYSA-N 1 2 361.287 4.492 40 0 FIABLO O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000216484019 526541968 /nfs/dbraw/zinc/54/19/68/526541968.db2.gz UPYABVKXVJKKSM-UHFFFAOYSA-N 1 2 371.893 4.324 40 0 FIABLO CC(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329057836 529114241 /nfs/dbraw/zinc/11/42/41/529114241.db2.gz WATPCQNZAGUHON-UHFFFAOYSA-N 1 2 368.428 4.374 40 0 FIABLO CC(C)(C)C(F)(F)CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1CC1CC1 ZINC000685938937 568433039 /nfs/dbraw/zinc/43/30/39/568433039.db2.gz UDWNOEGAEUPWQG-AWEZNQCLSA-N 1 2 368.472 4.067 40 0 FIABLO Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218796 570534435 /nfs/dbraw/zinc/53/44/35/570534435.db2.gz FWZKBYPJRDBDFT-HXUWFJFHSA-N 1 2 365.477 4.464 40 0 FIABLO Cc1ccc2c(c1)[nH+]cn2C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000035315874 570642298 /nfs/dbraw/zinc/64/22/98/570642298.db2.gz VHBLJKBRPYMYRE-UHFFFAOYSA-N 1 2 352.413 4.353 40 0 FIABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)c(C)c1 ZINC000224606127 570994439 /nfs/dbraw/zinc/99/44/39/570994439.db2.gz AZJIBERCEBWROA-HXUWFJFHSA-N 1 2 363.461 4.130 40 0 FIABLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358234 571183171 /nfs/dbraw/zinc/18/31/71/571183171.db2.gz SUCNJNVDEMNAQG-OAQYLSRUSA-N 1 2 364.468 4.365 40 0 FIABLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358234 571183174 /nfs/dbraw/zinc/18/31/74/571183174.db2.gz SUCNJNVDEMNAQG-OAQYLSRUSA-N 1 2 364.468 4.365 40 0 FIABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000072390165 571189624 /nfs/dbraw/zinc/18/96/24/571189624.db2.gz RUAOCHLAMNLDQJ-OAHLLOKOSA-N 1 2 371.462 4.152 40 0 FIABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000072390165 571189626 /nfs/dbraw/zinc/18/96/26/571189626.db2.gz RUAOCHLAMNLDQJ-OAHLLOKOSA-N 1 2 371.462 4.152 40 0 FIABLO CCSc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008493433 571301833 /nfs/dbraw/zinc/30/18/33/571301833.db2.gz RQZALLRDYHFZMV-DHZHZOJOSA-N 1 2 366.530 4.270 40 0 FIABLO