smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccc(-c2nnc([C@@H](c3ccccc3)n3cc[nH+]c3)o2)cc1 ZINC000005323851 204125798 /nfs/dbraw/zinc/12/57/98/204125798.db2.gz DYUYXRYCKKFVFB-MRXNPFEDSA-N 1 2 381.233 4.333 40 0 GIABLO [NH2+]=C1N=C(c2cc(Cl)cc(Br)c2O)C[C@@H](c2ccccc2)N1 ZINC000008655586 204283143 /nfs/dbraw/zinc/28/31/43/204283143.db2.gz LHDPNKPECLCVAY-ZDUSSCGKSA-N 1 2 378.657 4.057 40 0 GIABLO CC[C@H](Oc1ccccc1C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038756309 205038507 /nfs/dbraw/zinc/03/85/07/205038507.db2.gz TVJYBGKVLCTYGD-XAYKGCCJSA-N 1 2 378.516 4.010 40 0 GIABLO Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072379047 205339663 /nfs/dbraw/zinc/33/96/63/205339663.db2.gz SGVQTCGONCUHCW-MRXNPFEDSA-N 1 2 395.532 4.175 40 0 GIABLO Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C(C)C)n1 ZINC000072379040 205340043 /nfs/dbraw/zinc/34/00/43/205340043.db2.gz CSANSDSDTMOQBR-MRXNPFEDSA-N 1 2 381.505 4.133 40 0 GIABLO CCn1nc(C)c(-c2c[nH+]cn2CC2(c3cccc(C)c3)CCOCC2)c1C ZINC000072391887 205341226 /nfs/dbraw/zinc/34/12/26/205341226.db2.gz QBRGRIQTINDCOA-UHFFFAOYSA-N 1 2 378.520 4.440 40 0 GIABLO Cc1nc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccc4Cl)C3)C2)cs1 ZINC000247997368 206135482 /nfs/dbraw/zinc/13/54/82/206135482.db2.gz AMZYDTXRZJFKNR-QGZVFWFLSA-N 1 2 378.925 4.055 40 0 GIABLO COc1ncccc1C[N@@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144025 206206915 /nfs/dbraw/zinc/20/69/15/206206915.db2.gz YTSHXRXJMZZCSC-FQEVSTJZSA-N 1 2 385.471 4.137 40 0 GIABLO COc1ncccc1C[N@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144025 206206919 /nfs/dbraw/zinc/20/69/19/206206919.db2.gz YTSHXRXJMZZCSC-FQEVSTJZSA-N 1 2 385.471 4.137 40 0 GIABLO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000012119216 221153613 /nfs/dbraw/zinc/15/36/13/221153613.db2.gz NYEHTWRMLIFJCX-GFCCVEGCSA-N 1 2 393.306 4.256 40 0 GIABLO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000012119216 221153614 /nfs/dbraw/zinc/15/36/14/221153614.db2.gz NYEHTWRMLIFJCX-GFCCVEGCSA-N 1 2 393.306 4.256 40 0 GIABLO COc1cccc(OCCCn2c[nH+]cc2-c2c(C)nc3c(C)cccn32)c1 ZINC000019719677 570210595 /nfs/dbraw/zinc/21/05/95/570210595.db2.gz VXNSEBSKCWHJAE-UHFFFAOYSA-N 1 2 376.460 4.292 40 0 GIABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCC2)n1 ZINC000329011402 570212028 /nfs/dbraw/zinc/21/20/28/570212028.db2.gz MEAKRGFOQDBTCC-UHFFFAOYSA-N 1 2 380.414 4.061 40 0 GIABLO CNc1nc(Nc2cccc(C)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329033386 570213701 /nfs/dbraw/zinc/21/37/01/570213701.db2.gz QUJDUNLJVKQJJK-UHFFFAOYSA-N 1 2 388.393 4.288 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329027088 570213853 /nfs/dbraw/zinc/21/38/53/570213853.db2.gz PQUKFSAUJRFRIP-HXUWFJFHSA-N 1 2 396.922 4.260 40 0 GIABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329024807 570213869 /nfs/dbraw/zinc/21/38/69/570213869.db2.gz PBMRXNGLDBVYAH-LLVKDONJSA-N 1 2 380.414 4.179 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329065103 570216072 /nfs/dbraw/zinc/21/60/72/570216072.db2.gz XPPZCUCKPADAQI-INIZCTEOSA-N 1 2 381.307 4.255 40 0 GIABLO Fc1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)ccc1Cl ZINC000096215815 570219598 /nfs/dbraw/zinc/21/95/98/570219598.db2.gz CIBIABHPONNAQE-IBGZPJMESA-N 1 2 379.932 4.424 40 0 GIABLO Fc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)ccc1Cl ZINC000096215815 570219599 /nfs/dbraw/zinc/21/95/99/570219599.db2.gz CIBIABHPONNAQE-IBGZPJMESA-N 1 2 379.932 4.424 40 0 GIABLO Cc1cc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)cc[nH+]1 ZINC000096264557 570227044 /nfs/dbraw/zinc/22/70/44/570227044.db2.gz WNAVHUIGMGXGOO-UHFFFAOYSA-N 1 2 381.432 4.046 40 0 GIABLO c1ccc(CNc2ccc3c([C@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096267939 570227562 /nfs/dbraw/zinc/22/75/62/570227562.db2.gz GZUFLUCQTPHZQY-OAQYLSRUSA-N 1 2 384.487 4.074 40 0 GIABLO c1ccc(CNc2ccc3c([C@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096267939 570227564 /nfs/dbraw/zinc/22/75/64/570227564.db2.gz GZUFLUCQTPHZQY-OAQYLSRUSA-N 1 2 384.487 4.074 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N3CCCCC3)c(C)c2)cc1 ZINC000072219169 570318077 /nfs/dbraw/zinc/31/80/77/570318077.db2.gz BZBOGKWLDRUPAI-OAQYLSRUSA-N 1 2 399.560 4.215 40 0 GIABLO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019259 570437652 /nfs/dbraw/zinc/43/76/52/570437652.db2.gz HEMWXAQKFFPUHF-DEOSSOPVSA-N 1 2 392.543 4.279 40 0 GIABLO O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030863429 570499531 /nfs/dbraw/zinc/49/95/31/570499531.db2.gz ZWEUDOSWAUGFQQ-UHFFFAOYSA-N 1 2 398.812 4.443 40 0 GIABLO O=C(c1cn(CC[NH+]2CCOCC2)c2ccccc12)c1cccc2ccccc21 ZINC000033848576 570529797 /nfs/dbraw/zinc/52/97/97/570529797.db2.gz SZWYXJHTNGJPKU-UHFFFAOYSA-N 1 2 384.479 4.358 40 0 in-vitro GIABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019286726 570970163 /nfs/dbraw/zinc/97/01/63/570970163.db2.gz KUDGKZGCUXQTDI-KGLIPLIRSA-N 1 2 378.501 4.468 40 0 GIABLO Cc1[nH]c2c(cccc2C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1C ZINC000019576934 571011721 /nfs/dbraw/zinc/01/17/21/571011721.db2.gz SGKDSHMICQDJBW-LJQANCHMSA-N 1 2 376.435 4.177 40 0 GIABLO Cc1c(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329022677 231047322 /nfs/dbraw/zinc/04/73/22/231047322.db2.gz OPGAPVHKRLIPDA-QGZVFWFLSA-N 1 2 394.441 4.276 40 0 GIABLO Cc1ccc(SCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408562897 231062934 /nfs/dbraw/zinc/06/29/34/231062934.db2.gz GKNBWXVALNSSBW-VMPITWQZSA-N 1 2 380.557 4.335 40 0 GIABLO C[C@H](SCc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408565574 231063952 /nfs/dbraw/zinc/06/39/52/231063952.db2.gz LLRFCOAAHOFQLL-BNCSFYMNSA-N 1 2 380.557 4.166 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000012223007 204384731 /nfs/dbraw/zinc/38/47/31/204384731.db2.gz NXGHSCPKGKENRO-INIZCTEOSA-N 1 2 375.398 4.179 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000012223007 204384734 /nfs/dbraw/zinc/38/47/34/204384734.db2.gz NXGHSCPKGKENRO-INIZCTEOSA-N 1 2 375.398 4.179 40 0 GIABLO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccnn1C(F)F ZINC000019375829 204642362 /nfs/dbraw/zinc/64/23/62/204642362.db2.gz SXRNJZHWUBYDEW-UHFFFAOYSA-N 1 2 381.386 4.192 40 0 GIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000044844844 205088454 /nfs/dbraw/zinc/08/84/54/205088454.db2.gz MTTKMUJTIJHKKE-UHFFFAOYSA-N 1 2 383.451 4.381 40 0 GIABLO O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044915936 205091474 /nfs/dbraw/zinc/09/14/74/205091474.db2.gz QRERSXSIUYYIPR-UHFFFAOYSA-N 1 2 381.435 4.415 40 0 GIABLO O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068548933 205271315 /nfs/dbraw/zinc/27/13/15/205271315.db2.gz JXXKNPHDPBFLDE-UHFFFAOYSA-N 1 2 380.488 4.093 40 0 GIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cnc3ccccc3c2)Oc2ccccc2N1CC1CC1 ZINC000096111800 206116406 /nfs/dbraw/zinc/11/64/06/206116406.db2.gz UOBRBTKLTXJYDG-REWPJTCUSA-N 1 2 399.494 4.013 40 0 biogenic,in-vitro GIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cnc3ccccc3c2)Oc2ccccc2N1CC1CC1 ZINC000096111800 206116411 /nfs/dbraw/zinc/11/64/11/206116411.db2.gz UOBRBTKLTXJYDG-REWPJTCUSA-N 1 2 399.494 4.013 40 0 biogenic,in-vitro GIABLO Cc1nc(CO[C@H]2CCOC3(C[NH+](Cc4ccccc4Cl)C3)C2)cs1 ZINC000247997366 206136935 /nfs/dbraw/zinc/13/69/35/206136935.db2.gz AMZYDTXRZJFKNR-KRWDZBQOSA-N 1 2 378.925 4.055 40 0 GIABLO Clc1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257202684 206156886 /nfs/dbraw/zinc/15/68/86/206156886.db2.gz AMWHSMHXWTYGBS-QFIPXVFZSA-N 1 2 379.891 4.294 40 0 GIABLO Clc1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257202684 206156890 /nfs/dbraw/zinc/15/68/90/206156890.db2.gz AMWHSMHXWTYGBS-QFIPXVFZSA-N 1 2 379.891 4.294 40 0 GIABLO COc1cccc2c1OC1(CC[NH+](Cc3cscn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257298524 206174946 /nfs/dbraw/zinc/17/49/46/206174946.db2.gz RMCHWWDQYQXWII-PKOBYXMFSA-N 1 2 386.517 4.047 40 0 GIABLO C[C@@H](CCc1ccccc1)Nc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257335613 206181946 /nfs/dbraw/zinc/18/19/46/206181946.db2.gz YLBNPZVZYYUYNW-HNNXBMFYSA-N 1 2 378.524 4.190 40 0 GIABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289747 560031751 /nfs/dbraw/zinc/03/17/51/560031751.db2.gz ZWWAMXXDTGRULW-OALUTQOASA-N 1 2 377.488 4.027 40 0 biogenic,in-vitro GIABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289747 560031752 /nfs/dbraw/zinc/03/17/52/560031752.db2.gz ZWWAMXXDTGRULW-OALUTQOASA-N 1 2 377.488 4.027 40 0 biogenic,in-vitro GIABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288686 560034080 /nfs/dbraw/zinc/03/40/80/560034080.db2.gz KPOZWSVWGXFOMS-ROUUACIJSA-N 1 2 399.535 4.107 40 0 biogenic,in-vitro GIABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288686 560034082 /nfs/dbraw/zinc/03/40/82/560034082.db2.gz KPOZWSVWGXFOMS-ROUUACIJSA-N 1 2 399.535 4.107 40 0 biogenic,in-vitro GIABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cc4ccccc4o3)n2)cc1F ZINC000015674342 560231086 /nfs/dbraw/zinc/23/10/86/560231086.db2.gz XEGBNROWDHKTED-APWZRJJASA-N 1 2 393.418 4.238 40 0 biogenic,in-vitro GIABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cc4ccccc4o3)n2)cc1F ZINC000015674342 560231088 /nfs/dbraw/zinc/23/10/88/560231088.db2.gz XEGBNROWDHKTED-APWZRJJASA-N 1 2 393.418 4.238 40 0 biogenic,in-vitro GIABLO CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(C2CC2)[nH+]1 ZINC000329032269 570213773 /nfs/dbraw/zinc/21/37/73/570213773.db2.gz QOGATJGPDJUXIK-LBPRGKRZSA-N 1 2 375.314 4.223 40 0 GIABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1F ZINC000329034355 570213795 /nfs/dbraw/zinc/21/37/95/570213795.db2.gz QYLJSIHWQLHYNR-FQEVSTJZSA-N 1 2 380.467 4.185 40 0 GIABLO Brc1ccc2c(c1)CN(c1cc(NCc3ccccc3)[nH+]cn1)CC2 ZINC000329036591 570214110 /nfs/dbraw/zinc/21/41/10/570214110.db2.gz RKBDPAPRYUFFAI-UHFFFAOYSA-N 1 2 395.304 4.414 40 0 GIABLO Brc1ccc2c(c1)CN(c1cc(NCc3ccccc3)nc[nH+]1)CC2 ZINC000329036591 570214112 /nfs/dbraw/zinc/21/41/12/570214112.db2.gz RKBDPAPRYUFFAI-UHFFFAOYSA-N 1 2 395.304 4.414 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329048370 570214988 /nfs/dbraw/zinc/21/49/88/570214988.db2.gz UJQNNJLPWFPRCE-IBGZPJMESA-N 1 2 384.430 4.016 40 0 GIABLO Cc1cc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1Cl ZINC000020050254 570238110 /nfs/dbraw/zinc/23/81/10/570238110.db2.gz XRJRERRBKUVOIE-MRXNPFEDSA-N 1 2 383.879 4.226 40 0 GIABLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216280561 570298341 /nfs/dbraw/zinc/29/83/41/570298341.db2.gz UIBHZXKRMCGOMQ-KRWDZBQOSA-N 1 2 377.488 4.254 40 0 GIABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccco2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422638 570308829 /nfs/dbraw/zinc/30/88/29/570308829.db2.gz VRDPXRRRAKGDGO-FQEVSTJZSA-N 1 2 381.497 4.058 40 0 GIABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccco2)C(c2ccccc2)c2ccccc2)C1 ZINC000575422638 570308831 /nfs/dbraw/zinc/30/88/31/570308831.db2.gz VRDPXRRRAKGDGO-FQEVSTJZSA-N 1 2 381.497 4.058 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000072216081 570316811 /nfs/dbraw/zinc/31/68/11/570316811.db2.gz WIVYQGYUJFLBOO-NRFANRHFSA-N 1 2 399.560 4.296 40 0 GIABLO Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219371 570318127 /nfs/dbraw/zinc/31/81/27/570318127.db2.gz SHXXIGPCYCAJMA-OAQYLSRUSA-N 1 2 395.503 4.090 40 0 GIABLO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022517023 570319586 /nfs/dbraw/zinc/31/95/86/570319586.db2.gz WFYVJLBEWMDBEK-DDVUFSRBSA-N 1 2 392.543 4.318 40 0 GIABLO Cc1cc(C)cc(CSCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000408576299 570342680 /nfs/dbraw/zinc/34/26/80/570342680.db2.gz RZHXKEQUANIBMK-RMKNXTFCSA-N 1 2 394.584 4.394 40 0 GIABLO C[C@]12CC3CC(C(=O)CN4CC[NH+](Cc5ccccc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000023473212 570363301 /nfs/dbraw/zinc/36/33/01/570363301.db2.gz VNNWMHZYOKLMHR-AABVNVKOSA-N 1 2 380.576 4.370 40 0 GIABLO C[C@]12CC3CC(C(=O)C[NH+]4CCN(Cc5ccccc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000023473212 570363302 /nfs/dbraw/zinc/36/33/02/570363302.db2.gz VNNWMHZYOKLMHR-AABVNVKOSA-N 1 2 380.576 4.370 40 0 GIABLO CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669670 570367141 /nfs/dbraw/zinc/36/71/41/570367141.db2.gz RGYKUZCFPXITLU-QGZVFWFLSA-N 1 2 390.963 4.053 40 0 GIABLO O=C(c1cc2cc3ccccc3nc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000223132360 570445589 /nfs/dbraw/zinc/44/55/89/570445589.db2.gz XZIAANOKGLSSQC-UHFFFAOYSA-N 1 2 387.508 4.408 40 0 GIABLO O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000223235642 570451946 /nfs/dbraw/zinc/45/19/46/570451946.db2.gz LONGLESDXRMOLT-UHFFFAOYSA-N 1 2 389.883 4.214 40 0 GIABLO Cc1ccc(S(=O)(=O)[C@@H](CC(=O)CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000006522650 570482686 /nfs/dbraw/zinc/48/26/86/570482686.db2.gz OIXVUQFXNMNDDH-QHCPKHFHSA-N 1 2 399.556 4.345 40 0 GIABLO CC1CC[NH+]([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000004847722 570634427 /nfs/dbraw/zinc/63/44/27/570634427.db2.gz FMNPOIVANULNOZ-HXUWFJFHSA-N 1 2 399.901 4.335 40 0 GIABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)NCCc4ccccc4)C3)[nH+]c2cc1C ZINC000004967252 570654139 /nfs/dbraw/zinc/65/41/39/570654139.db2.gz NIGAYFDHQRUQMB-IBGZPJMESA-N 1 2 392.572 4.476 40 0 GIABLO Cc1cnccc1C[N@H+]1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019239519 570968572 /nfs/dbraw/zinc/96/85/72/570968572.db2.gz CUPZPZRGENLJQK-XOKHGSTOSA-N 1 2 379.430 4.231 40 0 GIABLO Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019239519 570968575 /nfs/dbraw/zinc/96/85/75/570968575.db2.gz CUPZPZRGENLJQK-XOKHGSTOSA-N 1 2 379.430 4.231 40 0 GIABLO COc1ccc2cc(C(=O)N3CC[C@H](c4[nH+]c(C)n5c(C)csc45)C3)[nH]c2c1 ZINC000019240527 570969264 /nfs/dbraw/zinc/96/92/64/570969264.db2.gz ISZQKIQZFSREOC-HNNXBMFYSA-N 1 2 394.500 4.132 40 0 GIABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019286728 570970151 /nfs/dbraw/zinc/97/01/51/570970151.db2.gz KUDGKZGCUXQTDI-UONOGXRCSA-N 1 2 378.501 4.468 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000019522345 570994939 /nfs/dbraw/zinc/99/49/39/570994939.db2.gz QOYRKMIFPHOGQI-INIZCTEOSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000019522345 570994941 /nfs/dbraw/zinc/99/49/41/570994941.db2.gz QOYRKMIFPHOGQI-INIZCTEOSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 ZINC000019523452 570995947 /nfs/dbraw/zinc/99/59/47/570995947.db2.gz QMIQYCHNFOJNNX-DEOSSOPVSA-N 1 2 389.499 4.204 40 0 GIABLO CCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 ZINC000019523452 570995948 /nfs/dbraw/zinc/99/59/48/570995948.db2.gz QMIQYCHNFOJNNX-DEOSSOPVSA-N 1 2 389.499 4.204 40 0 GIABLO COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](C)n4cc[nH+]c4)n3)c2c1 ZINC000019581505 571013605 /nfs/dbraw/zinc/01/36/05/571013605.db2.gz NBFNJEWHQUJAGT-GFCCVEGCSA-N 1 2 381.461 4.005 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693260 818599908 /nfs/dbraw/zinc/59/99/08/818599908.db2.gz ICOWUGBTLCVPSD-OAQYLSRUSA-N 1 2 393.462 4.173 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693260 818599916 /nfs/dbraw/zinc/59/99/16/818599916.db2.gz ICOWUGBTLCVPSD-OAQYLSRUSA-N 1 2 393.462 4.173 40 0 GIABLO COc1ccc(C2(NC(=O)Cn3c(C)[nH+]c4ccccc43)CCCCC2)cc1 ZINC000012115995 204372686 /nfs/dbraw/zinc/37/26/86/204372686.db2.gz LFADQVDHAMJGDD-UHFFFAOYSA-N 1 2 377.488 4.329 40 0 GIABLO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044937373 205091693 /nfs/dbraw/zinc/09/16/93/205091693.db2.gz FEOGDBKKRDVDRM-QFIPXVFZSA-N 1 2 377.488 4.457 40 0 GIABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072353611 205333190 /nfs/dbraw/zinc/33/31/90/205333190.db2.gz ZVPITEGSDOGIEG-LJQANCHMSA-N 1 2 378.520 4.321 40 0 GIABLO Cc1nc(N[C@H](C)CCc2ccc(F)cc2)cc(Cn2nnc3ccccc32)[nH+]1 ZINC000072373296 205338236 /nfs/dbraw/zinc/33/82/36/205338236.db2.gz PLYBMMUBWBVGGQ-OAHLLOKOSA-N 1 2 390.466 4.150 40 0 GIABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)[nH]n1 ZINC000072380625 205339854 /nfs/dbraw/zinc/33/98/54/205339854.db2.gz UCXRTMZOGVNORI-QFIPXVFZSA-N 1 2 380.536 4.242 40 0 GIABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@H+]2CCCc2ccccc2)[nH]n1 ZINC000072380625 205339859 /nfs/dbraw/zinc/33/98/59/205339859.db2.gz UCXRTMZOGVNORI-QFIPXVFZSA-N 1 2 380.536 4.242 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378529 205340527 /nfs/dbraw/zinc/34/05/27/205340527.db2.gz BWGCKHSBPYAQNI-FQEVSTJZSA-N 1 2 389.503 4.082 40 0 GIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)s1 ZINC000257267181 206170262 /nfs/dbraw/zinc/17/02/62/206170262.db2.gz MGFXCMUAJMUYIC-OAQYLSRUSA-N 1 2 383.492 4.150 40 0 GIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)s1 ZINC000257267181 206170266 /nfs/dbraw/zinc/17/02/66/206170266.db2.gz MGFXCMUAJMUYIC-OAQYLSRUSA-N 1 2 383.492 4.150 40 0 GIABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329064382 206184983 /nfs/dbraw/zinc/18/49/83/206184983.db2.gz XJQWPGXLKZDTRA-UHFFFAOYSA-N 1 2 375.314 4.141 40 0 GIABLO CCc1nnc(Nc2cccc([C@H]3C[N@H+](Cc4ccccc4C)CCO3)n2)s1 ZINC000257327403 206180425 /nfs/dbraw/zinc/18/04/25/206180425.db2.gz XBEOWBARRIXILS-GOSISDBHSA-N 1 2 395.532 4.121 40 0 GIABLO CCc1nnc(Nc2cccc([C@H]3C[N@@H+](Cc4ccccc4C)CCO3)n2)s1 ZINC000257327403 206180430 /nfs/dbraw/zinc/18/04/30/206180430.db2.gz XBEOWBARRIXILS-GOSISDBHSA-N 1 2 395.532 4.121 40 0 GIABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306138384 206204442 /nfs/dbraw/zinc/20/44/42/206204442.db2.gz RWEYPYXRNMHEIT-NRFANRHFSA-N 1 2 390.512 4.340 40 0 GIABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306138384 206204447 /nfs/dbraw/zinc/20/44/47/206204447.db2.gz RWEYPYXRNMHEIT-NRFANRHFSA-N 1 2 390.512 4.340 40 0 GIABLO Oc1c(Cl)cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000328980355 570210445 /nfs/dbraw/zinc/21/04/45/570210445.db2.gz GLJCBBQNXKBNGT-UHFFFAOYSA-N 1 2 387.270 4.318 40 0 GIABLO CCNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008141 570211779 /nfs/dbraw/zinc/21/17/79/570211779.db2.gz LQCHRUUKFIPHJJ-UHFFFAOYSA-N 1 2 390.365 4.345 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329015365 570212487 /nfs/dbraw/zinc/21/24/87/570212487.db2.gz NAMSNMMNNONIQL-MRXNPFEDSA-N 1 2 381.307 4.255 40 0 GIABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329038609 570214006 /nfs/dbraw/zinc/21/40/06/570214006.db2.gz RSZYCYBZWMZYJK-UHFFFAOYSA-N 1 2 388.393 4.122 40 0 GIABLO FC(F)(F)Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000329064011 570216098 /nfs/dbraw/zinc/21/60/98/570216098.db2.gz XHFQXAMMMHFMSL-UHFFFAOYSA-N 1 2 384.789 4.068 40 0 GIABLO Cc1cc(C)cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329066324 570216164 /nfs/dbraw/zinc/21/61/64/570216164.db2.gz XZXFLDTVRMABCP-NRFANRHFSA-N 1 2 376.504 4.355 40 0 GIABLO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020459066 570259952 /nfs/dbraw/zinc/25/99/52/570259952.db2.gz DHIMXTGQVYKKGM-QHCPKHFHSA-N 1 2 385.467 4.499 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N2CCCCC2)cc1 ZINC000072216140 570317090 /nfs/dbraw/zinc/31/70/90/570317090.db2.gz PWTOKCXLPRACPJ-OAQYLSRUSA-N 1 2 399.560 4.296 40 0 GIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000057710486 570370534 /nfs/dbraw/zinc/37/05/34/570370534.db2.gz ISUFFXMDKRJXNP-FQEVSTJZSA-N 1 2 379.508 4.048 40 0 GIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000057710486 570370538 /nfs/dbraw/zinc/37/05/38/570370538.db2.gz ISUFFXMDKRJXNP-FQEVSTJZSA-N 1 2 379.508 4.048 40 0 GIABLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)c1OC ZINC000031860789 570506901 /nfs/dbraw/zinc/50/69/01/570506901.db2.gz GWPIAAOPZQZVTR-BKAZIGDYSA-N 1 2 397.471 4.015 40 0 GIABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000001336994 570570098 /nfs/dbraw/zinc/57/00/98/570570098.db2.gz QQBCOBILSOGLRI-UHFFFAOYSA-N 1 2 376.500 4.017 40 0 GIABLO CC(C)n1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000001370991 570574933 /nfs/dbraw/zinc/57/49/33/570574933.db2.gz RQJCYRSSYQWYJY-UHFFFAOYSA-N 1 2 399.445 4.250 40 0 GIABLO CCOc1ccc(C(=O)N2CCC(n3c(C)[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000001380399 570583567 /nfs/dbraw/zinc/58/35/67/570583567.db2.gz AZJKXTKKKHBFDR-UHFFFAOYSA-N 1 2 381.451 4.360 40 0 GIABLO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013676557 570772154 /nfs/dbraw/zinc/77/21/54/570772154.db2.gz IKUWYHMATKVYNC-SFHVURJKSA-N 1 2 380.532 4.307 40 0 GIABLO Clc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1Cl ZINC000013569039 570850793 /nfs/dbraw/zinc/85/07/93/570850793.db2.gz JDAVCWKENDGKHX-UHFFFAOYSA-N 1 2 394.346 4.113 40 0 GIABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3ccc(C(C)C)cc3)ncc2C1 ZINC000019453268 570986354 /nfs/dbraw/zinc/98/63/54/570986354.db2.gz FSHCJJLJJOMQCF-QHCPKHFHSA-N 1 2 392.547 4.232 40 0 GIABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3ccc(C(C)C)cc3)ncc2C1 ZINC000019453268 570986355 /nfs/dbraw/zinc/98/63/55/570986355.db2.gz FSHCJJLJJOMQCF-QHCPKHFHSA-N 1 2 392.547 4.232 40 0 GIABLO C[C@H]1Cc2cc(C[N@@H+]3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1 ZINC000019498206 570990780 /nfs/dbraw/zinc/99/07/80/570990780.db2.gz PKFVHPHVAXQVQQ-AWEZNQCLSA-N 1 2 379.435 4.439 40 0 GIABLO C[C@H]1Cc2cc(C[N@H+]3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1 ZINC000019498206 570990785 /nfs/dbraw/zinc/99/07/85/570990785.db2.gz PKFVHPHVAXQVQQ-AWEZNQCLSA-N 1 2 379.435 4.439 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccncc3C)cc2n1 ZINC000019522352 570994964 /nfs/dbraw/zinc/99/49/64/570994964.db2.gz VUULFGVJQIDBQS-QGZVFWFLSA-N 1 2 389.425 4.351 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccncc3C)cc2n1 ZINC000019522352 570994966 /nfs/dbraw/zinc/99/49/66/570994966.db2.gz VUULFGVJQIDBQS-QGZVFWFLSA-N 1 2 389.425 4.351 40 0 GIABLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc2[nH+]1 ZINC000019660476 571025332 /nfs/dbraw/zinc/02/53/32/571025332.db2.gz DVQGVJCAKXYMRA-UHFFFAOYSA-N 1 2 390.487 4.235 40 0 GIABLO Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)nc2)c[nH+]1 ZINC000019691763 571029813 /nfs/dbraw/zinc/02/98/13/571029813.db2.gz DOHSHJARQULHDZ-QFIPXVFZSA-N 1 2 397.482 4.113 40 0 GIABLO Cn1c2ccccc2[nH+]c1CCc1ccc(NCc2cnn3cccnc23)cc1 ZINC000019715821 571037849 /nfs/dbraw/zinc/03/78/49/571037849.db2.gz RUCXXJMOPGXWLR-UHFFFAOYSA-N 1 2 382.471 4.013 40 0 GIABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1 ZINC000019692876 818599581 /nfs/dbraw/zinc/59/95/81/818599581.db2.gz STITWENQCRBODL-XMMPIXPASA-N 1 2 392.474 4.394 40 0 GIABLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1 ZINC000019692876 818599586 /nfs/dbraw/zinc/59/95/86/818599586.db2.gz STITWENQCRBODL-XMMPIXPASA-N 1 2 392.474 4.394 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000012116396 204372512 /nfs/dbraw/zinc/37/25/12/204372512.db2.gz YBKOOVWRTBYIKD-HXUWFJFHSA-N 1 2 388.515 4.076 40 0 GIABLO Cc1cc2[nH]c(CCC(=O)N3CCC(OCc4ccccc4)CC3)[nH+]c2cc1C ZINC000012206080 204382839 /nfs/dbraw/zinc/38/28/39/204382839.db2.gz OMZGKKVRWLIOON-UHFFFAOYSA-N 1 2 391.515 4.320 40 0 GIABLO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038848562 205040481 /nfs/dbraw/zinc/04/04/81/205040481.db2.gz QEZPOJPPKZWQOY-UHFFFAOYSA-N 1 2 385.920 4.248 40 0 GIABLO CC(C)n1ccnc1C[NH+]1CC2(C1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257315629 206177978 /nfs/dbraw/zinc/17/79/78/206177978.db2.gz VCEZRJHZNVTPML-GHTZIAJQSA-N 1 2 381.520 4.215 40 0 GIABLO CC(C)n1cc[nH+]c1CN1CC2(C1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257315629 206177983 /nfs/dbraw/zinc/17/79/83/206177983.db2.gz VCEZRJHZNVTPML-GHTZIAJQSA-N 1 2 381.520 4.215 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000257273279 206170981 /nfs/dbraw/zinc/17/09/81/206170981.db2.gz NFYDBZVRNGKMLL-HXUWFJFHSA-N 1 2 394.544 4.471 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000257273279 206170985 /nfs/dbraw/zinc/17/09/85/206170985.db2.gz NFYDBZVRNGKMLL-HXUWFJFHSA-N 1 2 394.544 4.471 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000257273279 206170988 /nfs/dbraw/zinc/17/09/88/206170988.db2.gz NFYDBZVRNGKMLL-HXUWFJFHSA-N 1 2 394.544 4.471 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000257273279 206170990 /nfs/dbraw/zinc/17/09/90/206170990.db2.gz NFYDBZVRNGKMLL-HXUWFJFHSA-N 1 2 394.544 4.471 40 0 GIABLO Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000001350672 136193147 /nfs/dbraw/zinc/19/31/47/136193147.db2.gz FFMCWHCERMVPAV-UHFFFAOYSA-N 1 2 378.520 4.117 40 0 aggregator GIABLO COc1cc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)ccc1OC(C)C ZINC000219860466 136204358 /nfs/dbraw/zinc/20/43/58/136204358.db2.gz SBBWCHVGFXSZQK-UHFFFAOYSA-N 1 2 396.531 4.324 40 0 GIABLO CC[C@@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000219865628 136204479 /nfs/dbraw/zinc/20/44/79/136204479.db2.gz MYAZIKNHMBUPKD-OAQYLSRUSA-N 1 2 396.531 4.496 40 0 GIABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019718494 570209975 /nfs/dbraw/zinc/20/99/75/570209975.db2.gz LMZNXDHQCJPGGZ-AWEZNQCLSA-N 1 2 384.549 4.273 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328977652 570210497 /nfs/dbraw/zinc/21/04/97/570210497.db2.gz FUKPFDCWZPDHQV-HXUWFJFHSA-N 1 2 396.922 4.260 40 0 GIABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328989034 570210863 /nfs/dbraw/zinc/21/08/63/570210863.db2.gz IIAKKELXSSJYJJ-UHFFFAOYSA-N 1 2 376.304 4.021 40 0 GIABLO Fc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)ccc1Br ZINC000329009651 570211828 /nfs/dbraw/zinc/21/18/28/570211828.db2.gz LWGZUSDBCNCBOO-UHFFFAOYSA-N 1 2 391.288 4.198 40 0 GIABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329014348 570212058 /nfs/dbraw/zinc/21/20/58/570212058.db2.gz MUXIDZDQGFTZHI-JTQLQIEISA-N 1 2 379.277 4.053 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329047650 570214766 /nfs/dbraw/zinc/21/47/66/570214766.db2.gz UFXOJCUWWBGOEL-HXUWFJFHSA-N 1 2 396.922 4.260 40 0 GIABLO CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(C2CC2)[nH+]1 ZINC000329047020 570214982 /nfs/dbraw/zinc/21/49/82/570214982.db2.gz UEBIQONRBZNJJL-LLVKDONJSA-N 1 2 375.314 4.223 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329065104 570216168 /nfs/dbraw/zinc/21/61/68/570216168.db2.gz XPPZCUCKPADAQI-MRXNPFEDSA-N 1 2 381.307 4.255 40 0 GIABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cccnc2)ncc1C(=O)Nc1ccccc1 ZINC000019766275 570217636 /nfs/dbraw/zinc/21/76/36/570217636.db2.gz ZZFOIBNOCPOQBM-OAQYLSRUSA-N 1 2 387.487 4.160 40 0 GIABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cccnc2)ncc1C(=O)Nc1ccccc1 ZINC000019766275 570217639 /nfs/dbraw/zinc/21/76/39/570217639.db2.gz ZZFOIBNOCPOQBM-OAQYLSRUSA-N 1 2 387.487 4.160 40 0 GIABLO Cc1ccc2[nH+]cc(-c3cccc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)n3)n2c1 ZINC000585262759 570230739 /nfs/dbraw/zinc/23/07/39/570230739.db2.gz CMWHAQJWTVPDBS-QGZVFWFLSA-N 1 2 376.504 4.457 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NC3CCCC3)[nH+]c2)cc1 ZINC000072213968 570314065 /nfs/dbraw/zinc/31/40/65/570314065.db2.gz ATJMIUGPNQFLHN-FQEVSTJZSA-N 1 2 385.533 4.270 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000072216080 570317128 /nfs/dbraw/zinc/31/71/28/570317128.db2.gz WIVYQGYUJFLBOO-OAQYLSRUSA-N 1 2 399.560 4.296 40 0 GIABLO CC(=O)N(C)c1cccc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000072352919 570339534 /nfs/dbraw/zinc/33/95/34/570339534.db2.gz KXIQQYUAIGMHEK-UHFFFAOYSA-N 1 2 394.450 4.098 40 0 GIABLO CC(=O)N(C)c1cccc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000072352919 570339535 /nfs/dbraw/zinc/33/95/35/570339535.db2.gz KXIQQYUAIGMHEK-UHFFFAOYSA-N 1 2 394.450 4.098 40 0 GIABLO Fc1ccc(CCNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000057761945 570372879 /nfs/dbraw/zinc/37/28/79/570372879.db2.gz ICCPKQPKJYNVOE-UHFFFAOYSA-N 1 2 377.398 4.467 40 0 GIABLO COc1ccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000031430155 570504675 /nfs/dbraw/zinc/50/46/75/570504675.db2.gz CWGZLDXNHSPGLY-CVRXJBIPSA-N 1 2 397.471 4.015 40 0 GIABLO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000649582071 570949184 /nfs/dbraw/zinc/94/91/84/570949184.db2.gz WTFNZBPPEUVBNS-JOCHJYFZSA-N 1 2 389.478 4.239 40 0 GIABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116882 570956999 /nfs/dbraw/zinc/95/69/99/570956999.db2.gz URPYDKQELFEZEC-QGZVFWFLSA-N 1 2 390.409 4.402 40 0 GIABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116882 570957002 /nfs/dbraw/zinc/95/70/02/570957002.db2.gz URPYDKQELFEZEC-QGZVFWFLSA-N 1 2 390.409 4.402 40 0 GIABLO Fc1cccc(C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000019372915 570981004 /nfs/dbraw/zinc/98/10/04/570981004.db2.gz BTHZDYBOZDINKK-QHCPKHFHSA-N 1 2 379.479 4.252 40 0 GIABLO Fc1cccc(C[N@H+](Cc2cncn2Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000019372915 570981007 /nfs/dbraw/zinc/98/10/07/570981007.db2.gz BTHZDYBOZDINKK-QHCPKHFHSA-N 1 2 379.479 4.252 40 0 GIABLO CCn1c2ccc(NC(=O)c3cc(-c4cn(C)nc4C)no3)cc2[nH+]c1C(C)C ZINC000019524255 570996383 /nfs/dbraw/zinc/99/63/83/570996383.db2.gz HCRUXCUQSHAKLI-UHFFFAOYSA-N 1 2 392.463 4.129 40 0 GIABLO CN(C)c1ccc(C[C@@H](CO)n2c[nH+]cc2-c2cnn(C3CCCCC3)c2)cc1 ZINC000019654420 571022855 /nfs/dbraw/zinc/02/28/55/571022855.db2.gz QDOWNJRIROKZIM-QFIPXVFZSA-N 1 2 393.535 4.094 40 0 GIABLO COc1cccc2cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c(C)nc21 ZINC000019714413 571035942 /nfs/dbraw/zinc/03/59/42/571035942.db2.gz NRHZYIVUPJXGRC-UHFFFAOYSA-N 1 2 388.471 4.017 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)CCc2ccco2)CC1 ZINC000012116404 204371806 /nfs/dbraw/zinc/37/18/06/204371806.db2.gz JATYBCJQLDKUKP-QGZVFWFLSA-N 1 2 394.519 4.003 40 0 GIABLO CCOC(=O)c1ccccc1Nc1cc(N)[nH+]c(-c2ccc(OCC)cc2)n1 ZINC000049468094 205128951 /nfs/dbraw/zinc/12/89/51/205128951.db2.gz DHYSHOGPLHPPPZ-UHFFFAOYSA-N 1 2 378.432 4.045 40 0 GIABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000072339807 205328247 /nfs/dbraw/zinc/32/82/47/205328247.db2.gz KUNXAWOEXSVAAK-UHFFFAOYSA-N 1 2 387.270 4.109 40 0 GIABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000072339807 205328249 /nfs/dbraw/zinc/32/82/49/205328249.db2.gz KUNXAWOEXSVAAK-UHFFFAOYSA-N 1 2 387.270 4.109 40 0 GIABLO CC(=O)N(C)c1ccc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072352959 205333325 /nfs/dbraw/zinc/33/33/25/205333325.db2.gz WYXAJTORAZQVFT-UHFFFAOYSA-N 1 2 394.450 4.098 40 0 GIABLO CC(=O)N(C)c1ccc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072352959 205333327 /nfs/dbraw/zinc/33/33/27/205333327.db2.gz WYXAJTORAZQVFT-UHFFFAOYSA-N 1 2 394.450 4.098 40 0 GIABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072378521 205339931 /nfs/dbraw/zinc/33/99/31/205339931.db2.gz ISXFUQGVUYQRCM-UHFFFAOYSA-N 1 2 388.515 4.169 40 0 GIABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378112 205340227 /nfs/dbraw/zinc/34/02/27/205340227.db2.gz HFOQQJLOXARVLI-SFHVURJKSA-N 1 2 376.489 4.495 40 0 GIABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378112 205340232 /nfs/dbraw/zinc/34/02/32/205340232.db2.gz HFOQQJLOXARVLI-SFHVURJKSA-N 1 2 376.489 4.495 40 0 GIABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1Cl ZINC000224955015 206030138 /nfs/dbraw/zinc/03/01/38/206030138.db2.gz LQFZESMCHVYSJB-UHFFFAOYSA-N 1 2 380.897 4.140 40 0 GIABLO Clc1ccc(Cl)c(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC000027752713 206087303 /nfs/dbraw/zinc/08/73/03/206087303.db2.gz VOGWHVLYNATXCF-UHFFFAOYSA-N 1 2 379.295 4.122 40 0 GIABLO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cnc(C)s4)CCO3)n2)cc1 ZINC000257327650 206179540 /nfs/dbraw/zinc/17/95/40/206179540.db2.gz XCETVRQOORIDHC-OAQYLSRUSA-N 1 2 381.501 4.096 40 0 GIABLO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cnc(C)s4)CCO3)n2)cc1 ZINC000257327650 206179544 /nfs/dbraw/zinc/17/95/44/206179544.db2.gz XCETVRQOORIDHC-OAQYLSRUSA-N 1 2 381.501 4.096 40 0 GIABLO c1csc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306126517 206197527 /nfs/dbraw/zinc/19/75/27/206197527.db2.gz DYCNOFQIGPXIER-HXUWFJFHSA-N 1 2 376.485 4.031 40 0 GIABLO c1csc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306126517 206197530 /nfs/dbraw/zinc/19/75/30/206197530.db2.gz DYCNOFQIGPXIER-HXUWFJFHSA-N 1 2 376.485 4.031 40 0 GIABLO CCC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669569 132453943 /nfs/dbraw/zinc/45/39/43/132453943.db2.gz IBTLVBIOBGJORW-FQEVSTJZSA-N 1 2 382.556 4.068 40 0 GIABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cc4ccccc4o3)n2)c1 ZINC000015674408 560231116 /nfs/dbraw/zinc/23/11/16/560231116.db2.gz ZURIXQDWHYWDLL-MJGOQNOKSA-N 1 2 375.428 4.099 40 0 biogenic,in-vitro GIABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cc4ccccc4o3)n2)c1 ZINC000015674408 560231118 /nfs/dbraw/zinc/23/11/18/560231118.db2.gz ZURIXQDWHYWDLL-MJGOQNOKSA-N 1 2 375.428 4.099 40 0 biogenic,in-vitro GIABLO COc1cc2c(cc1-c1c[nH+]cn1C[C@@H](C)n1nc(C)c(C)c1C)OCCCO2 ZINC000019719952 570211055 /nfs/dbraw/zinc/21/10/55/570211055.db2.gz GKPACFNEPULZRR-CQSZACIVSA-N 1 2 396.491 4.103 40 0 GIABLO COc1cc2c(cc1-c1c[nH+]cn1C[C@H](C)n1nc(C)c(C)c1C)OCCCO2 ZINC000019719953 570211064 /nfs/dbraw/zinc/21/10/64/570211064.db2.gz GKPACFNEPULZRR-AWEZNQCLSA-N 1 2 396.491 4.103 40 0 GIABLO Clc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329016422 570212519 /nfs/dbraw/zinc/21/25/19/570212519.db2.gz NGDPXVHLWFEHPW-UHFFFAOYSA-N 1 2 379.895 4.002 40 0 GIABLO CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329045014 570214776 /nfs/dbraw/zinc/21/47/76/570214776.db2.gz TTXFFYHHKLJXOX-UHFFFAOYSA-N 1 2 397.320 4.182 40 0 GIABLO CC(=O)NC1(c2ccccc2)CCN(c2cc(C)[nH+]c(-c3ccccc3)n2)CC1 ZINC000001350678 570260807 /nfs/dbraw/zinc/26/08/07/570260807.db2.gz WFJXDLYYEDRZLL-UHFFFAOYSA-N 1 2 386.499 4.084 40 0 GIABLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216280514 570298331 /nfs/dbraw/zinc/29/83/31/570298331.db2.gz UIBHZXKRMCGOMQ-QGZVFWFLSA-N 1 2 377.488 4.254 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2NC2CCC2)cc1 ZINC000072213936 570314222 /nfs/dbraw/zinc/31/42/22/570314222.db2.gz LCZDAYLCNVCVIW-HXUWFJFHSA-N 1 2 385.533 4.270 40 0 GIABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022511144 570319052 /nfs/dbraw/zinc/31/90/52/570319052.db2.gz LBOMMNDTXHPHGR-LEBWJFOGSA-N 1 2 392.543 4.318 40 0 GIABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](CC(C)C)c2nnnn2C(C)C)CC1 ZINC000057670211 570367765 /nfs/dbraw/zinc/36/77/65/570367765.db2.gz YAWXAANGTKDJAO-IBGZPJMESA-N 1 2 390.963 4.125 40 0 GIABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000223342506 570459994 /nfs/dbraw/zinc/45/99/94/570459994.db2.gz NLICXUHNQHONLA-QHCPKHFHSA-N 1 2 389.499 4.225 40 0 GIABLO C[C@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)n1cc[nH+]c1 ZINC000019080730 570955643 /nfs/dbraw/zinc/95/56/43/570955643.db2.gz DQXBLXCPGQJBOA-LLVKDONJSA-N 1 2 380.395 4.149 40 0 GIABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019240219 570968737 /nfs/dbraw/zinc/96/87/37/570968737.db2.gz ZYUQDNTYKZTYFN-HNNXBMFYSA-N 1 2 388.514 4.324 40 0 GIABLO O=C(Nc1nc(-c2ccccc2F)cs1)c1ccccc1Cn1cc[nH+]c1 ZINC000019349809 570978972 /nfs/dbraw/zinc/97/89/72/570978972.db2.gz HVFMKYPAPZHYGZ-UHFFFAOYSA-N 1 2 378.432 4.446 40 0 GIABLO C[C@@H](NC(=O)CCn1cc[nH+]c1-c1ccccc1)c1nc2ccccc2s1 ZINC000019459858 570988617 /nfs/dbraw/zinc/98/86/17/570988617.db2.gz RHVSNMIMCDHOTL-OAHLLOKOSA-N 1 2 376.485 4.427 40 0 GIABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019520779 570993897 /nfs/dbraw/zinc/99/38/97/570993897.db2.gz DHZSRFAIVMAKOQ-HYVNUMGLSA-N 1 2 379.430 4.313 40 0 GIABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019520779 570993901 /nfs/dbraw/zinc/99/39/01/570993901.db2.gz DHZSRFAIVMAKOQ-HYVNUMGLSA-N 1 2 379.430 4.313 40 0 GIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019577478 571011977 /nfs/dbraw/zinc/01/19/77/571011977.db2.gz JYOQNBMJTKWYRR-UHFFFAOYSA-N 1 2 396.583 4.153 40 0 GIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019577478 571011983 /nfs/dbraw/zinc/01/19/83/571011983.db2.gz JYOQNBMJTKWYRR-UHFFFAOYSA-N 1 2 396.583 4.153 40 0 GIABLO CN(C)c1[nH+]cccc1CNc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000019715725 571037689 /nfs/dbraw/zinc/03/76/89/571037689.db2.gz YGOYWWVUQFNQEH-UHFFFAOYSA-N 1 2 385.515 4.432 40 0 GIABLO CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)[nH+]1 ZINC000328962942 571047332 /nfs/dbraw/zinc/04/73/32/571047332.db2.gz BLBVUGUOJMWEMO-UHFFFAOYSA-N 1 2 387.256 4.064 40 0 GIABLO CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008051148 817989255 /nfs/dbraw/zinc/98/92/55/817989255.db2.gz FETWDCVCRYZHOE-OUZREKFBSA-N 1 2 398.934 4.355 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693261 818599983 /nfs/dbraw/zinc/59/99/83/818599983.db2.gz ICOWUGBTLCVPSD-NRFANRHFSA-N 1 2 393.462 4.173 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693261 818599990 /nfs/dbraw/zinc/59/99/90/818599990.db2.gz ICOWUGBTLCVPSD-NRFANRHFSA-N 1 2 393.462 4.173 40 0 GIABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3c(cccc3C)[nH+]2)C[C@H]1C(C)C ZINC000072320966 291137388 /nfs/dbraw/zinc/13/73/88/291137388.db2.gz JZDWLBHWCHDYNL-FHWLQOOXSA-N 1 2 383.536 4.031 40 0 biogenic,in-vitro GIABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3cccc(C)c3[nH+]2)C[C@H]1C(C)C ZINC000072320966 291137391 /nfs/dbraw/zinc/13/73/91/291137391.db2.gz JZDWLBHWCHDYNL-FHWLQOOXSA-N 1 2 383.536 4.031 40 0 biogenic,in-vitro GIABLO Cc1cc(C)cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329066325 203771928 /nfs/dbraw/zinc/77/19/28/203771928.db2.gz XZXFLDTVRMABCP-OAQYLSRUSA-N 1 2 376.504 4.355 40 0 GIABLO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)[nH]1 ZINC000012087605 204370683 /nfs/dbraw/zinc/37/06/83/204370683.db2.gz GFEFUVVJEPGDJP-CQSZACIVSA-N 1 2 388.899 4.151 40 0 GIABLO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)[nH]1 ZINC000012087605 204370685 /nfs/dbraw/zinc/37/06/85/204370685.db2.gz GFEFUVVJEPGDJP-CQSZACIVSA-N 1 2 388.899 4.151 40 0 GIABLO CC(C)Oc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044916562 205090819 /nfs/dbraw/zinc/09/08/19/205090819.db2.gz KFIBVQPKOYDJSR-UHFFFAOYSA-N 1 2 377.488 4.081 40 0 GIABLO Cc1nc(N[C@@H](C)CCc2ccc(F)cc2)cc(Cn2nnc3ccccc32)[nH+]1 ZINC000072373295 205337830 /nfs/dbraw/zinc/33/78/30/205337830.db2.gz PLYBMMUBWBVGGQ-HNNXBMFYSA-N 1 2 390.466 4.150 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072378890 205340006 /nfs/dbraw/zinc/34/00/06/205340006.db2.gz BCXOVXGQIUOICC-HXUWFJFHSA-N 1 2 388.515 4.339 40 0 GIABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378111 205340309 /nfs/dbraw/zinc/34/03/09/205340309.db2.gz HFOQQJLOXARVLI-GOSISDBHSA-N 1 2 376.489 4.495 40 0 GIABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378111 205340315 /nfs/dbraw/zinc/34/03/15/205340315.db2.gz HFOQQJLOXARVLI-GOSISDBHSA-N 1 2 376.489 4.495 40 0 GIABLO FC(F)(F)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225453001 206049583 /nfs/dbraw/zinc/04/95/83/206049583.db2.gz GXJCKCAOOPPSLU-UHFFFAOYSA-N 1 2 376.407 4.378 40 0 GIABLO Cc1nc(C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cs1 ZINC000257279946 206170710 /nfs/dbraw/zinc/17/07/10/206170710.db2.gz OIVVWAMVQZIGDQ-ZJOUEHCJSA-N 1 2 387.524 4.355 40 0 GIABLO Cc1nc(C[N@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cs1 ZINC000257279946 206170714 /nfs/dbraw/zinc/17/07/14/206170714.db2.gz OIVVWAMVQZIGDQ-ZJOUEHCJSA-N 1 2 387.524 4.355 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257333974 206180955 /nfs/dbraw/zinc/18/09/55/206180955.db2.gz YDYQTYISYLKCNU-QFIPXVFZSA-N 1 2 396.922 4.116 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257333974 206180959 /nfs/dbraw/zinc/18/09/59/206180959.db2.gz YDYQTYISYLKCNU-QFIPXVFZSA-N 1 2 396.922 4.116 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306141342 206206314 /nfs/dbraw/zinc/20/63/14/206206314.db2.gz VSQWMVTZFPJMOA-MJGOQNOKSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306141342 206206317 /nfs/dbraw/zinc/20/63/17/206206317.db2.gz VSQWMVTZFPJMOA-MJGOQNOKSA-N 1 2 387.551 4.232 40 0 GIABLO CC(C)c1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563053 136201316 /nfs/dbraw/zinc/20/13/16/136201316.db2.gz QYVUXAQGFPACHF-JOCHJYFZSA-N 1 2 391.515 4.225 40 0 GIABLO O=C(C[N@@H+]1CCCC[C@H]1c1cccnc1)Nc1nc(-c2ccccc2)cs1 ZINC000066091667 222137132 /nfs/dbraw/zinc/13/71/32/222137132.db2.gz BGOVKFTUYRMSDD-IBGZPJMESA-N 1 2 378.501 4.371 40 0 GIABLO O=C(C[N@H+]1CCCC[C@H]1c1cccnc1)Nc1nc(-c2ccccc2)cs1 ZINC000066091667 222137133 /nfs/dbraw/zinc/13/71/33/222137133.db2.gz BGOVKFTUYRMSDD-IBGZPJMESA-N 1 2 378.501 4.371 40 0 GIABLO COC(=O)c1cc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)ccc1Cl ZINC000219857918 536530176 /nfs/dbraw/zinc/53/01/76/536530176.db2.gz FUJVQDSDMCIZHC-UHFFFAOYSA-N 1 2 386.879 4.290 40 0 GIABLO Clc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329015944 570212567 /nfs/dbraw/zinc/21/25/67/570212567.db2.gz NEHKDYZZRCPCOG-UHFFFAOYSA-N 1 2 393.922 4.393 40 0 GIABLO O=C(CSCc1c(F)cccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000019932545 570231201 /nfs/dbraw/zinc/23/12/01/570231201.db2.gz QVHCFMXNPSZMKD-UHFFFAOYSA-N 1 2 389.883 4.214 40 0 GIABLO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020036836 570236466 /nfs/dbraw/zinc/23/64/66/570236466.db2.gz MGAGILADFMERHC-ZRGXPQFDSA-N 1 2 378.516 4.010 40 0 GIABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212934 570313707 /nfs/dbraw/zinc/31/37/07/570313707.db2.gz PTWCOXIZRVEFJG-FQEVSTJZSA-N 1 2 387.549 4.152 40 0 GIABLO CCC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669566 570366586 /nfs/dbraw/zinc/36/65/86/570366586.db2.gz BNXVVCICDZOYHA-OAQYLSRUSA-N 1 2 382.556 4.068 40 0 GIABLO CC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669446 570366847 /nfs/dbraw/zinc/36/68/47/570366847.db2.gz OVHIYDBBXMTWOK-FQEVSTJZSA-N 1 2 382.556 4.068 40 0 GIABLO CCCC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669924 570367420 /nfs/dbraw/zinc/36/74/20/570367420.db2.gz CKRACWACEKFQES-IBGZPJMESA-N 1 2 388.535 4.011 40 0 GIABLO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005625625 570665398 /nfs/dbraw/zinc/66/53/98/570665398.db2.gz BYTVTODOCFSATD-UHFFFAOYSA-N 1 2 398.894 4.043 40 0 GIABLO COc1cc(Cc2[nH+]ccc3cc(OC)c(OC)cc32)c(C(C)=O)c(OC)c1 ZINC000013281560 570752604 /nfs/dbraw/zinc/75/26/04/570752604.db2.gz FQKFQKKIOVMQHG-UHFFFAOYSA-N 1 2 381.428 4.063 40 0 GIABLO C[C@@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1cc[nH+]c1 ZINC000019080731 570956329 /nfs/dbraw/zinc/95/63/29/570956329.db2.gz FZQZXEIBAFWSFV-JTQLQIEISA-N 1 2 381.288 4.437 40 0 GIABLO C[C@H](CC(=O)N1CCC(c2onc3c2C[C@@H](C(C)(C)C)CC3)CC1)n1cc[nH+]c1 ZINC000019455122 570987153 /nfs/dbraw/zinc/98/71/53/570987153.db2.gz CDHIAGYAFZYRON-AEFFLSMTSA-N 1 2 398.551 4.379 40 0 GIABLO Cc1cc2[nH+]cn(CCC(=O)NCCc3nc(C(C)(C)C)cs3)c2cc1C ZINC000019661149 571025797 /nfs/dbraw/zinc/02/57/97/571025797.db2.gz BGVYIYPLFZRELS-UHFFFAOYSA-N 1 2 384.549 4.156 40 0 GIABLO COc1cccc(CCNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)c1 ZINC000019717905 571040785 /nfs/dbraw/zinc/04/07/85/571040785.db2.gz SFSJHAMIKOMDQZ-HNNXBMFYSA-N 1 2 393.535 4.374 40 0 GIABLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1 ZINC000019692877 818599399 /nfs/dbraw/zinc/59/93/99/818599399.db2.gz STITWENQCRBODL-DEOSSOPVSA-N 1 2 392.474 4.394 40 0 GIABLO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1 ZINC000019692877 818599406 /nfs/dbraw/zinc/59/94/06/818599406.db2.gz STITWENQCRBODL-DEOSSOPVSA-N 1 2 392.474 4.394 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000012116397 204372384 /nfs/dbraw/zinc/37/23/84/204372384.db2.gz YBKOOVWRTBYIKD-FQEVSTJZSA-N 1 2 388.515 4.076 40 0 GIABLO Cc1ccc(-c2nnc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)s2)cc1 ZINC000225566571 206056289 /nfs/dbraw/zinc/05/62/89/206056289.db2.gz PYNXHTGNUBBWRZ-UHFFFAOYSA-N 1 2 375.457 4.011 40 0 GIABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306140571 206205420 /nfs/dbraw/zinc/20/54/20/206205420.db2.gz UXNQDODINLIVCF-LJQANCHMSA-N 1 2 394.475 4.170 40 0 GIABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306140571 206205425 /nfs/dbraw/zinc/20/54/25/206205425.db2.gz UXNQDODINLIVCF-LJQANCHMSA-N 1 2 394.475 4.170 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306143939 206207193 /nfs/dbraw/zinc/20/71/93/206207193.db2.gz YRGKKANZQLVBBM-VQIMIIECSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306143939 206207196 /nfs/dbraw/zinc/20/71/96/206207196.db2.gz YRGKKANZQLVBBM-VQIMIIECSA-N 1 2 387.551 4.232 40 0 GIABLO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000012119219 221153471 /nfs/dbraw/zinc/15/34/71/221153471.db2.gz NYEHTWRMLIFJCX-LBPRGKRZSA-N 1 2 393.306 4.256 40 0 GIABLO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000012119219 221153474 /nfs/dbraw/zinc/15/34/74/221153474.db2.gz NYEHTWRMLIFJCX-LBPRGKRZSA-N 1 2 393.306 4.256 40 0 GIABLO Fc1cc(F)cc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328990327 570211066 /nfs/dbraw/zinc/21/10/66/570211066.db2.gz INKNRONKECTWHH-UHFFFAOYSA-N 1 2 380.442 4.232 40 0 GIABLO Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329044829 570214753 /nfs/dbraw/zinc/21/47/53/570214753.db2.gz SYBYKWZEOQWWIF-UHFFFAOYSA-N 1 2 380.879 4.445 40 0 GIABLO Fc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000329057298 570215598 /nfs/dbraw/zinc/21/55/98/570215598.db2.gz VXGSEJTUCOIYPA-UHFFFAOYSA-N 1 2 395.457 4.017 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2NCC(C)C)cc1 ZINC000072213293 570314026 /nfs/dbraw/zinc/31/40/26/570314026.db2.gz IMBNXMWQBBTZNB-FQEVSTJZSA-N 1 2 387.549 4.374 40 0 GIABLO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1OC ZINC000031860787 570506854 /nfs/dbraw/zinc/50/68/54/570506854.db2.gz GWPIAAOPZQZVTR-NZCIYTFRSA-N 1 2 397.471 4.015 40 0 GIABLO Cc1nc(-c2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2)cs1 ZINC000019285628 570969565 /nfs/dbraw/zinc/96/95/65/570969565.db2.gz TYEACQYVBIFVRT-UHFFFAOYSA-N 1 2 393.512 4.203 40 0 GIABLO CCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cn1 ZINC000019523453 570995704 /nfs/dbraw/zinc/99/57/04/570995704.db2.gz QMIQYCHNFOJNNX-XMMPIXPASA-N 1 2 389.499 4.204 40 0 GIABLO CCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cn1 ZINC000019523453 570995709 /nfs/dbraw/zinc/99/57/09/570995709.db2.gz QMIQYCHNFOJNNX-XMMPIXPASA-N 1 2 389.499 4.204 40 0 GIABLO CCn1c2ccc(NC(=O)c3cc(-c4cnn(C)c4C)on3)cc2[nH+]c1C(C)C ZINC000019524256 570996500 /nfs/dbraw/zinc/99/65/00/570996500.db2.gz PWOCIKMUBVIZBA-UHFFFAOYSA-N 1 2 392.463 4.129 40 0 GIABLO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019532541 570999000 /nfs/dbraw/zinc/99/90/00/570999000.db2.gz NNZGVOSMDNQDQA-HNNXBMFYSA-N 1 2 388.514 4.406 40 0 GIABLO COc1ccc(N(Cc2cccnc2)C(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000019556235 571003512 /nfs/dbraw/zinc/00/35/12/571003512.db2.gz KTYGUDRCSKJOJY-UHFFFAOYSA-N 1 2 398.466 4.182 40 0 GIABLO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1OCc1ccccn1 ZINC000019586539 571015672 /nfs/dbraw/zinc/01/56/72/571015672.db2.gz BLBPKCPTMBEIBE-UHFFFAOYSA-N 1 2 386.455 4.343 40 0 GIABLO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1OCc1ccccn1 ZINC000019586539 571015675 /nfs/dbraw/zinc/01/56/75/571015675.db2.gz BLBPKCPTMBEIBE-UHFFFAOYSA-N 1 2 386.455 4.343 40 0 GIABLO COc1c(CNc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c(C)nn1C ZINC000019715558 571037438 /nfs/dbraw/zinc/03/74/38/571037438.db2.gz CKVCTKLTOXKZKM-UHFFFAOYSA-N 1 2 389.503 4.021 40 0 GIABLO CC1CC[NH+]([C@@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000004847724 204082402 /nfs/dbraw/zinc/08/24/02/204082402.db2.gz WMCLCQJXJFUKEU-OAQYLSRUSA-N 1 2 395.938 4.391 40 0 GIABLO CCCn1c(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087603 204370965 /nfs/dbraw/zinc/37/09/65/204370965.db2.gz YHMVDWKNXPPZHS-QGZVFWFLSA-N 1 2 390.487 4.191 40 0 GIABLO CCCn1c(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087603 204370968 /nfs/dbraw/zinc/37/09/68/204370968.db2.gz YHMVDWKNXPPZHS-QGZVFWFLSA-N 1 2 390.487 4.191 40 0 GIABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(C)cc3[nH+]2)C[C@H]1C(C)C ZINC000072320845 205031075 /nfs/dbraw/zinc/03/10/75/205031075.db2.gz KPCXGZRWVBHPGU-FHWLQOOXSA-N 1 2 383.536 4.031 40 0 biogenic,in-vitro GIABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3cc(C)ccc3[nH+]2)C[C@H]1C(C)C ZINC000072320845 205031078 /nfs/dbraw/zinc/03/10/78/205031078.db2.gz KPCXGZRWVBHPGU-FHWLQOOXSA-N 1 2 383.536 4.031 40 0 biogenic,in-vitro GIABLO O=C(NC(c1ccccc1)c1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038753569 205037375 /nfs/dbraw/zinc/03/73/75/205037375.db2.gz RDOKWDLCWSFFPN-UHFFFAOYSA-N 1 2 386.495 4.038 40 0 GIABLO CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000044939933 205090542 /nfs/dbraw/zinc/09/05/42/205090542.db2.gz CCAZMMWOSWNCBU-UHFFFAOYSA-N 1 2 383.835 4.014 40 0 GIABLO CCOC(=O)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000044939700 205090939 /nfs/dbraw/zinc/09/09/39/205090939.db2.gz YFXXSMFLZOMQNI-UHFFFAOYSA-N 1 2 383.835 4.014 40 0 GIABLO Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072379046 205339169 /nfs/dbraw/zinc/33/91/69/205339169.db2.gz SGVQTCGONCUHCW-INIZCTEOSA-N 1 2 395.532 4.175 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)c(C)n1 ZINC000257284274 206173801 /nfs/dbraw/zinc/17/38/01/206173801.db2.gz PBZXWYWGANOVQZ-DEOSSOPVSA-N 1 2 390.531 4.079 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)c(C)n1 ZINC000257284274 206173804 /nfs/dbraw/zinc/17/38/04/206173804.db2.gz PBZXWYWGANOVQZ-DEOSSOPVSA-N 1 2 390.531 4.079 40 0 GIABLO Clc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257267612 206169502 /nfs/dbraw/zinc/16/95/02/206169502.db2.gz MIBFLQCPHCXEBD-IBGZPJMESA-N 1 2 380.879 4.447 40 0 GIABLO Clc1ccccc1C[N@H+]1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257267612 206169504 /nfs/dbraw/zinc/16/95/04/206169504.db2.gz MIBFLQCPHCXEBD-IBGZPJMESA-N 1 2 380.879 4.447 40 0 GIABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cnc3ccccc3c2)[nH+]1 ZINC000257329900 206180098 /nfs/dbraw/zinc/18/00/98/206180098.db2.gz XLYWVRHAKQGGHF-NRFANRHFSA-N 1 2 388.515 4.323 40 0 GIABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)s1 ZINC000306140379 206205159 /nfs/dbraw/zinc/20/51/59/206205159.db2.gz URNQEMXSKYNLIC-NRFANRHFSA-N 1 2 390.512 4.340 40 0 GIABLO Cc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)s1 ZINC000306140379 206205164 /nfs/dbraw/zinc/20/51/64/206205164.db2.gz URNQEMXSKYNLIC-NRFANRHFSA-N 1 2 390.512 4.340 40 0 GIABLO CCOc1ccc(CCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219864207 136204436 /nfs/dbraw/zinc/20/44/36/136204436.db2.gz UPZZOIKIVXECII-UHFFFAOYSA-N 1 2 380.532 4.359 40 0 GIABLO CC(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328965954 529111642 /nfs/dbraw/zinc/11/16/42/529111642.db2.gz CHHRLYPWXPZHJO-UHFFFAOYSA-N 1 2 397.320 4.182 40 0 GIABLO O=C(c1cn(CC[NH+]2CCOCC2)c2ccccc12)c1ccc2ccccc2c1 ZINC000013742590 560220345 /nfs/dbraw/zinc/22/03/45/560220345.db2.gz ZESGOIBULDUMRS-UHFFFAOYSA-N 1 2 384.479 4.358 40 0 in-vitro GIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328976837 570210425 /nfs/dbraw/zinc/21/04/25/570210425.db2.gz FQJIYXIHUXENLE-INIZCTEOSA-N 1 2 378.423 4.128 40 0 GIABLO Cc1[nH+]c2ccccc2n1CCCC(=O)Nc1nnc(-c2ccccc2F)s1 ZINC000019719277 570210536 /nfs/dbraw/zinc/21/05/36/570210536.db2.gz DJXRADHQWLNCBB-UHFFFAOYSA-N 1 2 395.463 4.421 40 0 GIABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329014349 570212467 /nfs/dbraw/zinc/21/24/67/570212467.db2.gz MUXIDZDQGFTZHI-SNVBAGLBSA-N 1 2 379.277 4.053 40 0 GIABLO CNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329023061 570213756 /nfs/dbraw/zinc/21/37/56/570213756.db2.gz ORTIMKJDBBIMLQ-UHFFFAOYSA-N 1 2 394.784 4.325 40 0 GIABLO CNc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329059566 570215600 /nfs/dbraw/zinc/21/56/00/570215600.db2.gz WHRQGXGCGGMGKT-UHFFFAOYSA-N 1 2 383.293 4.152 40 0 GIABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329067279 570216013 /nfs/dbraw/zinc/21/60/13/570216013.db2.gz YHGXDUQIUQGHAN-ZDUSSCGKSA-N 1 2 388.393 4.121 40 0 GIABLO Cc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1C ZINC000329065630 570216116 /nfs/dbraw/zinc/21/61/16/570216116.db2.gz XSVDUPNQRJUZPS-NRFANRHFSA-N 1 2 376.504 4.355 40 0 GIABLO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020483011 570261718 /nfs/dbraw/zinc/26/17/18/570261718.db2.gz RWPLZOSSAXABPK-JOCHJYFZSA-N 1 2 385.467 4.499 40 0 GIABLO Cc1[nH+]c(N2CCCCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072219320 570318097 /nfs/dbraw/zinc/31/80/97/570318097.db2.gz OQGQLXCHUOJGIR-UHFFFAOYSA-N 1 2 375.513 4.258 40 0 GIABLO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000022533684 570321200 /nfs/dbraw/zinc/32/12/00/570321200.db2.gz VXIFNOQJMAWBBP-HSZRJFAPSA-N 1 2 385.467 4.499 40 0 GIABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000022387936 570342326 /nfs/dbraw/zinc/34/23/26/570342326.db2.gz AYMPMQRHZVQLAZ-UHFFFAOYSA-N 1 2 383.904 4.460 40 0 GIABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000022387936 570342330 /nfs/dbraw/zinc/34/23/30/570342330.db2.gz AYMPMQRHZVQLAZ-UHFFFAOYSA-N 1 2 383.904 4.460 40 0 GIABLO CC(C)(C)OC(=O)N1CCN(Cc2c[nH+]c3ccccn23)[C@H](c2ccccc2)C1 ZINC000035572451 570554870 /nfs/dbraw/zinc/55/48/70/570554870.db2.gz OWMXTPYYDXANRF-FQEVSTJZSA-N 1 2 392.503 4.128 40 0 GIABLO Cc1c(C)n(C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc12 ZINC000037100484 570742406 /nfs/dbraw/zinc/74/24/06/570742406.db2.gz SKMZPKPNWFRZTA-UHFFFAOYSA-N 1 2 381.907 4.374 40 0 GIABLO COc1nc2cc(C)ccc2cc1C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019234261 570965148 /nfs/dbraw/zinc/96/51/48/570965148.db2.gz ZOVWSZGHYUTRPT-NRFANRHFSA-N 1 2 377.488 4.128 40 0 GIABLO COc1nc2cc(C)ccc2cc1C[N@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019234261 570965149 /nfs/dbraw/zinc/96/51/49/570965149.db2.gz ZOVWSZGHYUTRPT-NRFANRHFSA-N 1 2 377.488 4.128 40 0 GIABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019520780 570994050 /nfs/dbraw/zinc/99/40/50/570994050.db2.gz DHZSRFAIVMAKOQ-DJIMGWMZSA-N 1 2 379.430 4.313 40 0 GIABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019520780 570994055 /nfs/dbraw/zinc/99/40/55/570994055.db2.gz DHZSRFAIVMAKOQ-DJIMGWMZSA-N 1 2 379.430 4.313 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC000019522348 570994979 /nfs/dbraw/zinc/99/49/79/570994979.db2.gz WKKXPODBWSQTHE-MRXNPFEDSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cccnc3)cc2n1 ZINC000019522348 570994982 /nfs/dbraw/zinc/99/49/82/570994982.db2.gz WKKXPODBWSQTHE-MRXNPFEDSA-N 1 2 375.398 4.043 40 0 GIABLO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019532517 570999205 /nfs/dbraw/zinc/99/92/05/570999205.db2.gz DGFBOHUEJBWSFY-HNNXBMFYSA-N 1 2 388.514 4.406 40 0 GIABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1)OCCO2 ZINC000019550644 571000927 /nfs/dbraw/zinc/00/09/27/571000927.db2.gz UTPANWILOIQGRT-HNNXBMFYSA-N 1 2 388.514 4.058 40 0 GIABLO COc1ccc2c(C)c(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)oc2c1 ZINC000019565761 571007480 /nfs/dbraw/zinc/00/74/80/571007480.db2.gz KLPCJOMXNBGUMG-IBGZPJMESA-N 1 2 393.418 4.142 40 0 GIABLO Cc1noc2nc(C(C)C)cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c12 ZINC000019714632 571036376 /nfs/dbraw/zinc/03/63/76/571036376.db2.gz DMVSISIMYJRHMB-UHFFFAOYSA-N 1 2 391.475 4.120 40 0 GIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NC1CCCCCC1)N(Cc1ccccc1)CC2 ZINC000096037541 571096731 /nfs/dbraw/zinc/09/67/31/571096731.db2.gz XXNZVBYXPQVHOM-QHCPKHFHSA-N 1 2 394.563 4.402 40 0 GIABLO Cc1c(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cccc1C(F)(F)F ZINC000329022676 231047245 /nfs/dbraw/zinc/04/72/45/231047245.db2.gz OPGAPVHKRLIPDA-KRWDZBQOSA-N 1 2 394.441 4.276 40 0 GIABLO c1cc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cs1 ZINC000306144425 209109088 /nfs/dbraw/zinc/10/90/88/209109088.db2.gz ZERZCBNKNLUPLN-HXUWFJFHSA-N 1 2 376.485 4.031 40 0 GIABLO c1cc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cs1 ZINC000306144425 209109091 /nfs/dbraw/zinc/10/90/91/209109091.db2.gz ZERZCBNKNLUPLN-HXUWFJFHSA-N 1 2 376.485 4.031 40 0 GIABLO CCNc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329066867 206244012 /nfs/dbraw/zinc/24/40/12/206244012.db2.gz YDPWRMCIABWMAZ-UHFFFAOYSA-N 1 2 383.293 4.234 40 0 GIABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCCC2)n1 ZINC000329069434 206244785 /nfs/dbraw/zinc/24/47/85/206244785.db2.gz YXXQJLAYSIYWQO-UHFFFAOYSA-N 1 2 380.414 4.062 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306141341 209106349 /nfs/dbraw/zinc/10/63/49/209106349.db2.gz VSQWMVTZFPJMOA-IEBWSBKVSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306141341 209106354 /nfs/dbraw/zinc/10/63/54/209106354.db2.gz VSQWMVTZFPJMOA-IEBWSBKVSA-N 1 2 387.551 4.232 40 0 GIABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[N@H+](Cc1cnc(C)nc1)CC2 ZINC000019287254 207114015 /nfs/dbraw/zinc/11/40/15/207114015.db2.gz VMWSNAHCZIOXOE-QHCPKHFHSA-N 1 2 393.462 4.089 40 0 GIABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[N@@H+](Cc1cnc(C)nc1)CC2 ZINC000019287254 207114017 /nfs/dbraw/zinc/11/40/17/207114017.db2.gz VMWSNAHCZIOXOE-QHCPKHFHSA-N 1 2 393.462 4.089 40 0 GIABLO Cc1ccc(C(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)cc1N1CCCC1 ZINC000019716193 207153867 /nfs/dbraw/zinc/15/38/67/207153867.db2.gz OKKJNKXYKHYYIN-UHFFFAOYSA-N 1 2 376.504 4.061 40 0 GIABLO O=C(C[N@@H+]1CCc2nc(-c3cccc(F)c3)sc2C1)Nc1ccc(F)cc1 ZINC000019719747 207155025 /nfs/dbraw/zinc/15/50/25/207155025.db2.gz JPINELLUYMUCAC-UHFFFAOYSA-N 1 2 385.439 4.085 40 0 GIABLO O=C(C[N@H+]1CCc2nc(-c3cccc(F)c3)sc2C1)Nc1ccc(F)cc1 ZINC000019719747 207155030 /nfs/dbraw/zinc/15/50/30/207155030.db2.gz JPINELLUYMUCAC-UHFFFAOYSA-N 1 2 385.439 4.085 40 0 GIABLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020108282 207178275 /nfs/dbraw/zinc/17/82/75/207178275.db2.gz AWKCPVAIEICVQL-QGZVFWFLSA-N 1 2 377.488 4.254 40 0 GIABLO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccccn2)[nH]1 ZINC000072390514 208010967 /nfs/dbraw/zinc/01/09/67/208010967.db2.gz IKDIFOHXZNCPES-IBGZPJMESA-N 1 2 382.414 4.250 40 0 GIABLO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccccn2)[nH]1 ZINC000072390514 208010973 /nfs/dbraw/zinc/01/09/73/208010973.db2.gz IKDIFOHXZNCPES-IBGZPJMESA-N 1 2 382.414 4.250 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378919 208011808 /nfs/dbraw/zinc/01/18/08/208011808.db2.gz DHMVTMUGYAJJGK-HXUWFJFHSA-N 1 2 392.478 4.436 40 0 GIABLO COc1ccc(C(=O)N2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)cc1 ZINC000096243527 208293107 /nfs/dbraw/zinc/29/31/07/208293107.db2.gz UMAGPURPCVZWAR-UHFFFAOYSA-N 1 2 387.483 4.136 40 0 GIABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc3ccccc3n2)[nH+]1 ZINC000257274675 209066617 /nfs/dbraw/zinc/06/66/17/209066617.db2.gz NMBNCMBTZJGLMI-FQEVSTJZSA-N 1 2 388.515 4.323 40 0 GIABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2ccc3ccccc3n2)[nH+]1 ZINC000257274676 209067103 /nfs/dbraw/zinc/06/71/03/209067103.db2.gz NMBNCMBTZJGLMI-HXUWFJFHSA-N 1 2 388.515 4.323 40 0 GIABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000013564488 136201161 /nfs/dbraw/zinc/20/11/61/136201161.db2.gz OYNFLOAXQMPSGD-FQEVSTJZSA-N 1 2 395.547 4.323 40 0 GIABLO CCCCOc1ccc(NC(=O)C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000013564488 136201162 /nfs/dbraw/zinc/20/11/62/136201162.db2.gz OYNFLOAXQMPSGD-FQEVSTJZSA-N 1 2 395.547 4.323 40 0 GIABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]cn1)C2 ZINC000328999978 570211589 /nfs/dbraw/zinc/21/15/89/570211589.db2.gz JXVOJQRNFWWEPN-UHFFFAOYSA-N 1 2 378.398 4.292 40 0 GIABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc[nH+]1)C2 ZINC000328999978 570211590 /nfs/dbraw/zinc/21/15/90/570211590.db2.gz JXVOJQRNFWWEPN-UHFFFAOYSA-N 1 2 378.398 4.292 40 0 GIABLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420075 570307261 /nfs/dbraw/zinc/30/72/61/570307261.db2.gz FHSIOCHJBWKQOJ-HSZRJFAPSA-N 1 2 391.536 4.465 40 0 GIABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420075 570307266 /nfs/dbraw/zinc/30/72/66/570307266.db2.gz FHSIOCHJBWKQOJ-HSZRJFAPSA-N 1 2 391.536 4.465 40 0 GIABLO CCCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669739 570367229 /nfs/dbraw/zinc/36/72/29/570367229.db2.gz MCTOHFHZXFENAJ-HXUWFJFHSA-N 1 2 384.572 4.098 40 0 GIABLO CC1CC[NH+]([C@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000004847723 570412048 /nfs/dbraw/zinc/41/20/48/570412048.db2.gz WMCLCQJXJFUKEU-NRFANRHFSA-N 1 2 395.938 4.391 40 0 GIABLO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104840 570554613 /nfs/dbraw/zinc/55/46/13/570554613.db2.gz UGTOHIBDPOHLSZ-RLFYNMQTSA-N 1 2 384.549 4.435 40 0 GIABLO CCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)[nH+]c(CC)n3C)n[nH]1 ZINC000012143789 570615332 /nfs/dbraw/zinc/61/53/32/570615332.db2.gz MWEZUCHRLFWFRH-UHFFFAOYSA-N 1 2 389.459 4.177 40 0 GIABLO CC1CC[NH+]([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000004847721 570634333 /nfs/dbraw/zinc/63/43/33/570634333.db2.gz FMNPOIVANULNOZ-FQEVSTJZSA-N 1 2 399.901 4.335 40 0 GIABLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC(C)(C)O2 ZINC000044855282 570636594 /nfs/dbraw/zinc/63/65/94/570636594.db2.gz ARNDCCGZJZGBHI-FQEVSTJZSA-N 1 2 375.472 4.272 40 0 GIABLO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044855432 570636721 /nfs/dbraw/zinc/63/67/21/570636721.db2.gz VVVVAEXGJJRHGC-HXUWFJFHSA-N 1 2 375.472 4.272 40 0 GIABLO O=C(CCSCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013688178 570774781 /nfs/dbraw/zinc/77/47/81/570774781.db2.gz RCEMDQPJDXBJBM-KPKJPENVSA-N 1 2 380.557 4.168 40 0 GIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Br)c1 ZINC000328963789 571047584 /nfs/dbraw/zinc/04/75/84/571047584.db2.gz BRJWMAXVQQBJSW-UHFFFAOYSA-N 1 2 391.288 4.198 40 0 GIABLO O=C(C[NH+]1CCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1 ZINC000011691993 206226755 /nfs/dbraw/zinc/22/67/55/206226755.db2.gz HJKMEWZBLHSAAO-UHFFFAOYSA-N 1 2 382.847 4.148 40 0 GIABLO Fc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)ccc1Br ZINC000329070913 206244021 /nfs/dbraw/zinc/24/40/21/206244021.db2.gz ZLBMXSFJWPXPNZ-UHFFFAOYSA-N 1 2 399.267 4.207 40 0 GIABLO Cc1ccc(C)c(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000328993755 206238872 /nfs/dbraw/zinc/23/88/72/206238872.db2.gz JBCUPCAMFSNPEY-OAQYLSRUSA-N 1 2 376.504 4.355 40 0 GIABLO CNc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329029176 206240703 /nfs/dbraw/zinc/24/07/03/206240703.db2.gz PXWKEYJXMDSNBF-UHFFFAOYSA-N 1 2 394.784 4.325 40 0 GIABLO CC(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329016437 206240854 /nfs/dbraw/zinc/24/08/54/206240854.db2.gz NGKKXEHYXSPBMZ-UHFFFAOYSA-N 1 2 386.805 4.314 40 0 GIABLO Clc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329049043 206241962 /nfs/dbraw/zinc/24/19/62/206241962.db2.gz UMRMJUCLLYUKSH-UHFFFAOYSA-N 1 2 379.895 4.002 40 0 GIABLO Cc1conc1NS(=O)(=O)c1ccc(Nc2cc[nH+]c3c(C)cccc23)cc1 ZINC000032609545 206257263 /nfs/dbraw/zinc/25/72/63/206257263.db2.gz UWJWUHLJEYFMLE-UHFFFAOYSA-N 1 2 394.456 4.384 40 0 GIABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116929 207103332 /nfs/dbraw/zinc/10/33/32/207103332.db2.gz OTOGRQSVJVBLKE-INIZCTEOSA-N 1 2 390.409 4.402 40 0 GIABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116929 207103335 /nfs/dbraw/zinc/10/33/35/207103335.db2.gz OTOGRQSVJVBLKE-INIZCTEOSA-N 1 2 390.409 4.402 40 0 GIABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)c1OC ZINC000019217747 207108037 /nfs/dbraw/zinc/10/80/37/207108037.db2.gz VWCHDQGANANCKL-OAHLLOKOSA-N 1 2 385.489 4.461 40 0 GIABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)c1OC ZINC000019217747 207108041 /nfs/dbraw/zinc/10/80/41/207108041.db2.gz VWCHDQGANANCKL-OAHLLOKOSA-N 1 2 385.489 4.461 40 0 GIABLO Cc1ccsc1CN(CCC[NH+]1CCOCC1)Cc1ccc(F)cc1F ZINC000019238574 207110752 /nfs/dbraw/zinc/11/07/52/207110752.db2.gz NBDTXQLNVNTERG-UHFFFAOYSA-N 1 2 380.504 4.059 40 0 GIABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)cc1 ZINC000019454507 207124085 /nfs/dbraw/zinc/12/40/85/207124085.db2.gz HCSPMGGXIDYISD-HNNXBMFYSA-N 1 2 393.443 4.130 40 0 GIABLO COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1Cc1cccnc1 ZINC000019571568 207136290 /nfs/dbraw/zinc/13/62/90/207136290.db2.gz RYNGMXFDWNQYJK-LAUBAEHRSA-N 1 2 397.482 4.062 40 0 GIABLO COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1Cc1cccnc1 ZINC000019571568 207136294 /nfs/dbraw/zinc/13/62/94/207136294.db2.gz RYNGMXFDWNQYJK-LAUBAEHRSA-N 1 2 397.482 4.062 40 0 GIABLO Cc1cc(Nc2cccc(C(=O)Nc3cccc(-n4cccn4)c3)c2)nc(C)[nH+]1 ZINC000019662123 207147181 /nfs/dbraw/zinc/14/71/81/207147181.db2.gz YMEMNGWRCQZZQD-UHFFFAOYSA-N 1 2 384.443 4.275 40 0 GIABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1ccccc1N1CCCC1 ZINC000019718459 207155170 /nfs/dbraw/zinc/15/51/70/207155170.db2.gz MULVJPIAZLZJLF-KRWDZBQOSA-N 1 2 376.504 4.076 40 0 GIABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019718495 207155309 /nfs/dbraw/zinc/15/53/09/207155309.db2.gz LMZNXDHQCJPGGZ-CQSZACIVSA-N 1 2 384.549 4.273 40 0 GIABLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020038689 207174218 /nfs/dbraw/zinc/17/42/18/207174218.db2.gz NJSBYTDBGQPFMT-MAIVGLDJSA-N 1 2 398.934 4.355 40 0 GIABLO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000022533690 207256821 /nfs/dbraw/zinc/25/68/21/207256821.db2.gz VXIFNOQJMAWBBP-QHCPKHFHSA-N 1 2 385.467 4.499 40 0 GIABLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1 ZINC000072357700 208000755 /nfs/dbraw/zinc/00/07/55/208000755.db2.gz CBWQDMGMOPQBSB-LJQANCHMSA-N 1 2 396.491 4.044 40 0 GIABLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1 ZINC000072357700 208000758 /nfs/dbraw/zinc/00/07/58/208000758.db2.gz CBWQDMGMOPQBSB-LJQANCHMSA-N 1 2 396.491 4.044 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072379022 208012192 /nfs/dbraw/zinc/01/21/92/208012192.db2.gz GRRCRAIRCPUTBA-FQEVSTJZSA-N 1 2 390.487 4.133 40 0 GIABLO COc1cccc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156569 208278389 /nfs/dbraw/zinc/27/83/89/208278389.db2.gz SEUNLFWYSOAHBU-NRFANRHFSA-N 1 2 385.471 4.137 40 0 GIABLO COc1cccc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156569 208278396 /nfs/dbraw/zinc/27/83/96/208278396.db2.gz SEUNLFWYSOAHBU-NRFANRHFSA-N 1 2 385.471 4.137 40 0 GIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NC1CCCCCC1)N(Cc1ccccc1)CC2 ZINC000096037540 208255803 /nfs/dbraw/zinc/25/58/03/208255803.db2.gz XXNZVBYXPQVHOM-HSZRJFAPSA-N 1 2 394.563 4.402 40 0 GIABLO Fc1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)ccc1Cl ZINC000096215817 208285695 /nfs/dbraw/zinc/28/56/95/208285695.db2.gz CIBIABHPONNAQE-LJQANCHMSA-N 1 2 379.932 4.424 40 0 GIABLO Fc1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)ccc1Cl ZINC000096215817 208285699 /nfs/dbraw/zinc/28/56/99/208285699.db2.gz CIBIABHPONNAQE-LJQANCHMSA-N 1 2 379.932 4.424 40 0 GIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1CC1CC1 ZINC000096111802 209009262 /nfs/dbraw/zinc/00/92/62/209009262.db2.gz FAYOTAHGKADZLY-ICSRJNTNSA-N 1 2 382.891 4.119 40 0 biogenic,in-vitro GIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1CC1CC1 ZINC000096111802 209009266 /nfs/dbraw/zinc/00/92/66/209009266.db2.gz FAYOTAHGKADZLY-ICSRJNTNSA-N 1 2 382.891 4.119 40 0 biogenic,in-vitro GIABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2nccc3ccccc32)[nH+]1 ZINC000257200194 209053323 /nfs/dbraw/zinc/05/33/23/209053323.db2.gz ACJAUOVDBWOSRM-HXUWFJFHSA-N 1 2 388.515 4.323 40 0 GIABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCC[N@@H+]2Cc2ccncc2C)n1 ZINC000257299843 209071092 /nfs/dbraw/zinc/07/10/92/209071092.db2.gz RRVGHAAVNDRCQY-HXUWFJFHSA-N 1 2 377.492 4.487 40 0 GIABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCC[N@H+]2Cc2ccncc2C)n1 ZINC000257299843 209071098 /nfs/dbraw/zinc/07/10/98/209071098.db2.gz RRVGHAAVNDRCQY-HXUWFJFHSA-N 1 2 377.492 4.487 40 0 GIABLO Cc1ccc([NH+]2CCC(C(=O)NCCCN3CCCc4ccccc43)CC2)cc1 ZINC000219867111 136204331 /nfs/dbraw/zinc/20/43/31/136204331.db2.gz DEABDFPSGFBHPD-UHFFFAOYSA-N 1 2 391.559 4.171 40 0 GIABLO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219858086 136204465 /nfs/dbraw/zinc/20/44/65/136204465.db2.gz WHFXUDDSAJVFTP-UHFFFAOYSA-N 1 2 393.531 4.380 40 0 GIABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000219856104 136204477 /nfs/dbraw/zinc/20/44/77/136204477.db2.gz KLGMQBMZCHNESD-UHFFFAOYSA-N 1 2 397.950 4.214 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320507 209073739 /nfs/dbraw/zinc/07/37/39/209073739.db2.gz VXDFNCMSDSTXTB-HSZRJFAPSA-N 1 2 393.462 4.173 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320507 209073744 /nfs/dbraw/zinc/07/37/44/209073744.db2.gz VXDFNCMSDSTXTB-HSZRJFAPSA-N 1 2 393.462 4.173 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257333973 209078264 /nfs/dbraw/zinc/07/82/64/209078264.db2.gz YDYQTYISYLKCNU-JOCHJYFZSA-N 1 2 396.922 4.116 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)cn1 ZINC000257333973 209078261 /nfs/dbraw/zinc/07/82/61/209078261.db2.gz YDYQTYISYLKCNU-JOCHJYFZSA-N 1 2 396.922 4.116 40 0 GIABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(Cc3ccccc3)no1)N(CCCc1ccccc1)C2 ZINC000015675676 560094929 /nfs/dbraw/zinc/09/49/29/560094929.db2.gz DHSWIGJQGZMJRI-QFIPXVFZSA-N 1 2 399.498 4.116 40 0 biogenic,in-vitro GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N3CCCC3)c(C)c2)cc1 ZINC000072218838 570317821 /nfs/dbraw/zinc/31/78/21/570317821.db2.gz LKOQTXSKFBPWCJ-OAQYLSRUSA-N 1 2 399.560 4.215 40 0 GIABLO C[C@@H]1C[N@H+](Cc2ccco2)[C@H](C)CN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000057731525 570371782 /nfs/dbraw/zinc/37/17/82/570371782.db2.gz LQKWWUNENSOBGP-HUUCEWRRSA-N 1 2 399.878 4.323 40 0 GIABLO C[C@@H]1C[N@@H+](Cc2ccco2)[C@H](C)CN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000057731525 570371784 /nfs/dbraw/zinc/37/17/84/570371784.db2.gz LQKWWUNENSOBGP-HUUCEWRRSA-N 1 2 399.878 4.323 40 0 GIABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038755507 570582195 /nfs/dbraw/zinc/58/21/95/570582195.db2.gz ROYAVSZYMLYVPA-HDFUYHJRSA-N 1 2 392.543 4.318 40 0 GIABLO Cc1sc2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)[nH+]c(C)n2c1C ZINC000012087562 570606743 /nfs/dbraw/zinc/60/67/43/570606743.db2.gz OYHQOGRYFAPHDN-UHFFFAOYSA-N 1 2 385.508 4.409 40 0 GIABLO CC1=CC(C)(C)N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000226074503 570640715 /nfs/dbraw/zinc/64/07/15/570640715.db2.gz KFMVGBOZQATDIT-UHFFFAOYSA-N 1 2 375.516 4.037 40 0 GIABLO Cc1ccc2[nH]cc(C(=O)C[NH+]3CCC4(CC3)CC(=O)c3ccccc3O4)c2c1 ZINC000057823346 570704540 /nfs/dbraw/zinc/70/45/40/570704540.db2.gz UIIFRJWSMCLWTK-UHFFFAOYSA-N 1 2 388.467 4.159 40 0 GIABLO COc1c(Cl)cc(Cl)cc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034687987 821062094 /nfs/dbraw/zinc/06/20/94/821062094.db2.gz MNSUUBWODDRVFE-UHFFFAOYSA-N 1 2 395.355 4.495 40 0 GIABLO CNc1nc(Nc2c(C)cccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329035293 206243192 /nfs/dbraw/zinc/24/31/92/206243192.db2.gz RCJWVJNFMJZFFU-UHFFFAOYSA-N 1 2 388.393 4.288 40 0 GIABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000328972149 206239837 /nfs/dbraw/zinc/23/98/37/206239837.db2.gz DUHKIAFHNIRUQP-SNVBAGLBSA-N 1 2 379.277 4.053 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329020852 206240297 /nfs/dbraw/zinc/24/02/97/206240297.db2.gz OEAGTBXMKHAKPQ-OAHLLOKOSA-N 1 2 381.307 4.255 40 0 GIABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1F ZINC000329034356 206243105 /nfs/dbraw/zinc/24/31/05/206243105.db2.gz QYLJSIHWQLHYNR-HXUWFJFHSA-N 1 2 380.467 4.185 40 0 GIABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCC1)c1ccc2c(c1)OCCO2 ZINC000008418844 206751056 /nfs/dbraw/zinc/75/10/56/206751056.db2.gz OZUSGIDGJYJIFZ-UHFFFAOYSA-N 1 2 384.863 4.383 40 0 GIABLO COc1ccc([C@H]2[NH2+][C@@H](c3ccc(C)cn3)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019216081 207107373 /nfs/dbraw/zinc/10/73/73/207107373.db2.gz AXNZSHWNQJYVGA-ZJSXRUAMSA-N 1 2 390.483 4.392 40 0 GIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccccc1)CC2 ZINC000096147225 208273698 /nfs/dbraw/zinc/27/36/98/208273698.db2.gz OPLHRTQKVKTDLI-QFIPXVFZSA-N 1 2 392.478 4.341 40 0 GIABLO CC(C)Nc1nc(-c2cccc(F)c2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000096254322 208295196 /nfs/dbraw/zinc/29/51/96/208295196.db2.gz LVIYNYSNDYMTFM-UHFFFAOYSA-N 1 2 377.467 4.056 40 0 GIABLO CC(C)Nc1nc(-c2cccc(F)c2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000096254322 208295202 /nfs/dbraw/zinc/29/52/02/208295202.db2.gz LVIYNYSNDYMTFM-UHFFFAOYSA-N 1 2 377.467 4.056 40 0 GIABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)C[N@H+](Cc1cncs1)CCO2 ZINC000257217805 209057143 /nfs/dbraw/zinc/05/71/43/209057143.db2.gz DARWOJQTYLSKTG-ACRUOGEOSA-N 1 2 390.524 4.287 40 0 GIABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)C[N@@H+](Cc1cncs1)CCO2 ZINC000257217805 209057144 /nfs/dbraw/zinc/05/71/44/209057144.db2.gz DARWOJQTYLSKTG-ACRUOGEOSA-N 1 2 390.524 4.287 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000257273386 209063025 /nfs/dbraw/zinc/06/30/25/209063025.db2.gz NGIZJQXJSJDGBE-XMMPIXPASA-N 1 2 390.531 4.079 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000257273386 209063029 /nfs/dbraw/zinc/06/30/29/209063029.db2.gz NGIZJQXJSJDGBE-XMMPIXPASA-N 1 2 390.531 4.079 40 0 GIABLO Clc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257267613 209063673 /nfs/dbraw/zinc/06/36/73/209063673.db2.gz MIBFLQCPHCXEBD-LJQANCHMSA-N 1 2 380.879 4.447 40 0 GIABLO Clc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257267613 209063677 /nfs/dbraw/zinc/06/36/77/209063677.db2.gz MIBFLQCPHCXEBD-LJQANCHMSA-N 1 2 380.879 4.447 40 0 GIABLO CC(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257277050 209066492 /nfs/dbraw/zinc/06/64/92/209066492.db2.gz NWGCCHQYLWFACL-LJQANCHMSA-N 1 2 397.441 4.079 40 0 GIABLO CC(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257277050 209066499 /nfs/dbraw/zinc/06/64/99/209066499.db2.gz NWGCCHQYLWFACL-LJQANCHMSA-N 1 2 397.441 4.079 40 0 GIABLO CC(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257277049 209066362 /nfs/dbraw/zinc/06/63/62/209066362.db2.gz NWGCCHQYLWFACL-IBGZPJMESA-N 1 2 397.441 4.079 40 0 GIABLO CC(C)C[N@H+]1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257277049 209066366 /nfs/dbraw/zinc/06/63/66/209066366.db2.gz NWGCCHQYLWFACL-IBGZPJMESA-N 1 2 397.441 4.079 40 0 GIABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3cc(F)cc(F)c3)C2)c2sccn12 ZINC000257304516 209072421 /nfs/dbraw/zinc/07/24/21/209072421.db2.gz SMAKZRICDQUNJW-LJQANCHMSA-N 1 2 375.444 4.176 40 0 GIABLO CCc1nnc(Nc2cccc([C@@H]3C[N@H+](Cc4ccccc4C)CCO3)n2)s1 ZINC000257327404 209076299 /nfs/dbraw/zinc/07/62/99/209076299.db2.gz XBEOWBARRIXILS-SFHVURJKSA-N 1 2 395.532 4.121 40 0 GIABLO CCc1nnc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)n2)s1 ZINC000257327404 209076303 /nfs/dbraw/zinc/07/63/03/209076303.db2.gz XBEOWBARRIXILS-SFHVURJKSA-N 1 2 395.532 4.121 40 0 GIABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669857 570367054 /nfs/dbraw/zinc/36/70/54/570367054.db2.gz UCLZCQOWSPCVTH-FQEVSTJZSA-N 1 2 384.572 4.098 40 0 GIABLO Fc1ccc(OCCNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000057761963 570372885 /nfs/dbraw/zinc/37/28/85/570372885.db2.gz FFJZKPKNRGISTE-UHFFFAOYSA-N 1 2 393.397 4.303 40 0 GIABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)c1 ZINC000225220036 570557606 /nfs/dbraw/zinc/55/76/06/570557606.db2.gz QUJJTCZAYTXJEF-UHFFFAOYSA-N 1 2 396.343 4.214 40 0 GIABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1 ZINC000001346483 570572167 /nfs/dbraw/zinc/57/21/67/570572167.db2.gz DHXWXYRCRSGNTI-UHFFFAOYSA-N 1 2 395.875 4.200 40 0 GIABLO COc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000004847703 570634149 /nfs/dbraw/zinc/63/41/49/570634149.db2.gz IMFWUPWWNZWCSN-NRFANRHFSA-N 1 2 399.539 4.017 40 0 GIABLO Cc1ccc(S[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000031852100 570640440 /nfs/dbraw/zinc/64/04/40/570640440.db2.gz YAEGCTCHYOYHJZ-AQDCRGGLSA-N 1 2 380.557 4.333 40 0 GIABLO CC(C)(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257231533 570765490 /nfs/dbraw/zinc/76/54/90/570765490.db2.gz GHDWYRIXIHZUDV-LJQANCHMSA-N 1 2 377.916 4.104 40 0 GIABLO CC(C)(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257231533 570765492 /nfs/dbraw/zinc/76/54/92/570765492.db2.gz GHDWYRIXIHZUDV-LJQANCHMSA-N 1 2 377.916 4.104 40 0 GIABLO CC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000013563878 570852222 /nfs/dbraw/zinc/85/22/22/570852222.db2.gz OSIKTAUNNDFXKF-SFHVURJKSA-N 1 2 378.472 4.425 40 0 GIABLO CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000013563878 570852225 /nfs/dbraw/zinc/85/22/25/570852225.db2.gz OSIKTAUNNDFXKF-SFHVURJKSA-N 1 2 378.472 4.425 40 0 GIABLO O=C(c1ccc(N2CCCCC2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000007504831 817856910 /nfs/dbraw/zinc/85/69/10/817856910.db2.gz OXKCSIBVWUZNMI-JXMROGBWSA-N 1 2 389.543 4.148 40 0 GIABLO COc1ccccc1N(CC(=O)c1ccc2c(c1)OCCO2)C1=[NH+]CCCCC1 ZINC000007276456 209130223 /nfs/dbraw/zinc/13/02/23/209130223.db2.gz WJLANGOWDOEEDJ-UHFFFAOYSA-N 1 2 394.471 4.128 40 0 GIABLO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329014427 206241332 /nfs/dbraw/zinc/24/13/32/206241332.db2.gz MWQPZPJTTLOPLN-UHFFFAOYSA-N 1 2 390.487 4.363 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329047649 206242676 /nfs/dbraw/zinc/24/26/76/206242676.db2.gz UFXOJCUWWBGOEL-FQEVSTJZSA-N 1 2 396.922 4.260 40 0 GIABLO CNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329040817 206242992 /nfs/dbraw/zinc/24/29/92/206242992.db2.gz SGFBLSPDYPDTJL-UHFFFAOYSA-N 1 2 378.785 4.445 40 0 GIABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306140570 209106707 /nfs/dbraw/zinc/10/67/07/209106707.db2.gz UXNQDODINLIVCF-IBGZPJMESA-N 1 2 394.475 4.170 40 0 GIABLO Fc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306140570 209106709 /nfs/dbraw/zinc/10/67/09/209106709.db2.gz UXNQDODINLIVCF-IBGZPJMESA-N 1 2 394.475 4.170 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306141343 209106143 /nfs/dbraw/zinc/10/61/43/209106143.db2.gz VSQWMVTZFPJMOA-PKOBYXMFSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306141343 209106146 /nfs/dbraw/zinc/10/61/46/209106146.db2.gz VSQWMVTZFPJMOA-PKOBYXMFSA-N 1 2 387.551 4.232 40 0 GIABLO CN(CCc1ccccn1)c1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221355 206873872 /nfs/dbraw/zinc/87/38/72/206873872.db2.gz DCCOVNDYPPHKAB-UHFFFAOYSA-N 1 2 390.878 4.261 40 0 GIABLO CCn1c2ccc(NC(=O)c3cccc(Cn4cncn4)c3)cc2[nH+]c1C(C)C ZINC000019524260 207128243 /nfs/dbraw/zinc/12/82/43/207128243.db2.gz DQQMRSYJDJTJJQ-UHFFFAOYSA-N 1 2 388.475 4.072 40 0 GIABLO CCOc1cc2c(cc1C[NH2+][C@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019532519 207129929 /nfs/dbraw/zinc/12/99/29/207129929.db2.gz DGFBOHUEJBWSFY-OAHLLOKOSA-N 1 2 388.514 4.406 40 0 GIABLO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019555005 207132991 /nfs/dbraw/zinc/13/29/91/207132991.db2.gz TYZCIQKINSUXCF-INIZCTEOSA-N 1 2 379.489 4.481 40 0 GIABLO Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019555005 207132995 /nfs/dbraw/zinc/13/29/95/207132995.db2.gz TYZCIQKINSUXCF-INIZCTEOSA-N 1 2 379.489 4.481 40 0 GIABLO COc1ccccc1CCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000019717910 207155519 /nfs/dbraw/zinc/15/55/19/207155519.db2.gz VEZTYVWQIGMBSD-OAHLLOKOSA-N 1 2 393.535 4.374 40 0 GIABLO CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030943418 207377041 /nfs/dbraw/zinc/37/70/41/207377041.db2.gz CWURNGJINFWRLW-UHFFFAOYSA-N 1 2 377.444 4.141 40 0 GIABLO COc1ccc([C@@H]2C[C@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430378 207381789 /nfs/dbraw/zinc/38/17/89/207381789.db2.gz CBYNWEMJTGYPFZ-FDDCHVKYSA-N 1 2 397.471 4.159 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000072378433 208010340 /nfs/dbraw/zinc/01/03/40/208010340.db2.gz RSZDGSVZPNWKJQ-UHFFFAOYSA-N 1 2 388.515 4.339 40 0 GIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)Nc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096037487 208255437 /nfs/dbraw/zinc/25/54/37/208255437.db2.gz JCNCCLPTPMYINE-QFIPXVFZSA-N 1 2 392.478 4.341 40 0 GIABLO COc1ccccc1-c1c[nH+]c2n1C[C@]1(CCN(C(=O)c3ccc(C)s3)C1)C2 ZINC000306139143 209105622 /nfs/dbraw/zinc/10/56/22/209105622.db2.gz SQLCQGUSMIEKFI-JOCHJYFZSA-N 1 2 393.512 4.017 40 0 GIABLO COc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)cc1OC ZINC000004847693 208546009 /nfs/dbraw/zinc/54/60/09/208546009.db2.gz ZLDIGDJIYQDJDF-NRFANRHFSA-N 1 2 399.539 4.017 40 0 GIABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306123291 209094729 /nfs/dbraw/zinc/09/47/29/209094729.db2.gz AJHYGPHYMLHMQS-JOCHJYFZSA-N 1 2 388.446 4.109 40 0 GIABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306123291 209094732 /nfs/dbraw/zinc/09/47/32/209094732.db2.gz AJHYGPHYMLHMQS-JOCHJYFZSA-N 1 2 388.446 4.109 40 0 GIABLO COc1c(Cl)cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000102082154 533422058 /nfs/dbraw/zinc/42/20/58/533422058.db2.gz HJQHINAKZBXIRE-UHFFFAOYSA-N 1 2 395.286 4.087 40 0 GIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000219854978 136204392 /nfs/dbraw/zinc/20/43/92/136204392.db2.gz FRSSTRIEMFHRMG-UHFFFAOYSA-N 1 2 391.515 4.086 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2NCC(C)C)cc1 ZINC000072213292 570314079 /nfs/dbraw/zinc/31/40/79/570314079.db2.gz IMBNXMWQBBTZNB-HXUWFJFHSA-N 1 2 387.549 4.374 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N3CCCC3)c(C)c2)cc1 ZINC000072218839 570317748 /nfs/dbraw/zinc/31/77/48/570317748.db2.gz LKOQTXSKFBPWCJ-NRFANRHFSA-N 1 2 399.560 4.215 40 0 GIABLO CCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669858 570367255 /nfs/dbraw/zinc/36/72/55/570367255.db2.gz UCLZCQOWSPCVTH-HXUWFJFHSA-N 1 2 384.572 4.098 40 0 GIABLO COc1ccc(CC[N@@H+]2CCOc3nc4cc(C)c(C)cc4cc3C2)cc1OC ZINC000057718935 570370844 /nfs/dbraw/zinc/37/08/44/570370844.db2.gz VNMARCNVZUKNPG-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc(CC[N@H+]2CCOc3nc4cc(C)c(C)cc4cc3C2)cc1OC ZINC000057718935 570370848 /nfs/dbraw/zinc/37/08/48/570370848.db2.gz VNMARCNVZUKNPG-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000223470198 570467958 /nfs/dbraw/zinc/46/79/58/570467958.db2.gz OGJGAKHLVSGHPJ-RMKNXTFCSA-N 1 2 384.907 4.210 40 0 GIABLO Brc1ccc2[nH+]c(-c3cccs3)c(NC[C@H]3CCCO3)n2c1 ZINC000000904316 570515070 /nfs/dbraw/zinc/51/50/70/570515070.db2.gz VGORKQFGGLTDML-GFCCVEGCSA-N 1 2 378.295 4.416 40 0 GIABLO COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3NCCCn2cc[nH+]c2)cc1 ZINC000012113364 570609225 /nfs/dbraw/zinc/60/92/25/570609225.db2.gz BIDOSXJGVWSWPU-UHFFFAOYSA-N 1 2 390.491 4.029 40 0 GIABLO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CC(C)(C)O2 ZINC000044855281 570636739 /nfs/dbraw/zinc/63/67/39/570636739.db2.gz ARNDCCGZJZGBHI-HXUWFJFHSA-N 1 2 375.472 4.272 40 0 GIABLO O=C(C[NH+]1CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000012326915 570643242 /nfs/dbraw/zinc/64/32/42/570643242.db2.gz JLUHLCMGKWKIKJ-UHFFFAOYSA-N 1 2 380.463 4.087 40 0 GIABLO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005625983 570665529 /nfs/dbraw/zinc/66/55/29/570665529.db2.gz IGZIFJNSZDITIO-UHFFFAOYSA-N 1 2 382.895 4.343 40 0 GIABLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000057823354 570704526 /nfs/dbraw/zinc/70/45/26/570704526.db2.gz KNQNTCYDUGIGPU-UHFFFAOYSA-N 1 2 388.467 4.159 40 0 GIABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[N@@H+](C)CC2 ZINC000004223479 570726891 /nfs/dbraw/zinc/72/68/91/570726891.db2.gz IRTYBVJTUIALRA-UHFFFAOYSA-N 1 2 386.517 4.072 40 0 GIABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[N@H+](C)CC2 ZINC000004223479 570726896 /nfs/dbraw/zinc/72/68/96/570726896.db2.gz IRTYBVJTUIALRA-UHFFFAOYSA-N 1 2 386.517 4.072 40 0 GIABLO O=C(CCCOc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000035683466 821066239 /nfs/dbraw/zinc/06/62/39/821066239.db2.gz JKFCHUPKSJABFD-XBXARRHUSA-N 1 2 398.934 4.357 40 0 GIABLO Fc1cccc(C(F)(F)F)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328995042 206240141 /nfs/dbraw/zinc/24/01/41/206240141.db2.gz JFMRHZRIKMPXLW-UHFFFAOYSA-N 1 2 380.389 4.454 40 0 GIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328998558 206240462 /nfs/dbraw/zinc/24/04/62/206240462.db2.gz JSTQGPQMWGTJLG-QGZVFWFLSA-N 1 2 394.441 4.276 40 0 GIABLO CC[C@H](C)Nc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329024808 206241564 /nfs/dbraw/zinc/24/15/64/206241564.db2.gz PBMRXNGLDBVYAH-NSHDSACASA-N 1 2 380.414 4.179 40 0 GIABLO CNc1nc(Nc2cccc(F)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329047231 206242393 /nfs/dbraw/zinc/24/23/93/206242393.db2.gz UFPKRIBZJDXKEU-UHFFFAOYSA-N 1 2 392.356 4.119 40 0 GIABLO Brc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329041946 206242651 /nfs/dbraw/zinc/24/26/51/206242651.db2.gz SLKCKEPSHITDCL-UHFFFAOYSA-N 1 2 387.325 4.449 40 0 GIABLO Clc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCC2)n1 ZINC000329038186 206242710 /nfs/dbraw/zinc/24/27/10/206242710.db2.gz RSFGRDFHBMTWSF-UHFFFAOYSA-N 1 2 379.895 4.002 40 0 GIABLO COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CCN(C(=O)c3ccc(C)s3)C1)C2 ZINC000306139144 209106055 /nfs/dbraw/zinc/10/60/55/209106055.db2.gz SQLCQGUSMIEKFI-QFIPXVFZSA-N 1 2 393.512 4.017 40 0 GIABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)c1OC ZINC000019217748 207107178 /nfs/dbraw/zinc/10/71/78/207107178.db2.gz VWCHDQGANANCKL-HNNXBMFYSA-N 1 2 385.489 4.461 40 0 GIABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)c1OC ZINC000019217748 207107182 /nfs/dbraw/zinc/10/71/82/207107182.db2.gz VWCHDQGANANCKL-HNNXBMFYSA-N 1 2 385.489 4.461 40 0 GIABLO O=C(CCCn1cc[nH+]c1)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 ZINC000019293097 207114577 /nfs/dbraw/zinc/11/45/77/207114577.db2.gz RYWSQCQUPWREAA-UHFFFAOYSA-N 1 2 380.414 4.311 40 0 GIABLO c1ccc(-c2cnc3c(c2)[C@@H]([NH2+]C2CC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019374050 207119365 /nfs/dbraw/zinc/11/93/65/207119365.db2.gz NWPLIXNBSRFXGW-FQEVSTJZSA-N 1 2 398.495 4.166 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccncc3)cc2n1 ZINC000019522349 207126331 /nfs/dbraw/zinc/12/63/31/207126331.db2.gz PZCMSWDTSMWHRE-INIZCTEOSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccncc3)cc2n1 ZINC000019522349 207126335 /nfs/dbraw/zinc/12/63/35/207126335.db2.gz PZCMSWDTSMWHRE-INIZCTEOSA-N 1 2 375.398 4.043 40 0 GIABLO COc1ccccc1[C@@H]1[NH2+][C@H](c2ccccn2)Cc2cc(OC)c(OC)cc21 ZINC000019571520 207135936 /nfs/dbraw/zinc/13/59/36/207135936.db2.gz QBUMGPPTFPMLKD-CVDCTZTESA-N 1 2 376.456 4.084 40 0 GIABLO CC(C)c1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019718190 207156163 /nfs/dbraw/zinc/15/61/63/207156163.db2.gz HRGINZFWHGYDHW-ZDUSSCGKSA-N 1 2 394.504 4.216 40 0 GIABLO CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020036840 207174875 /nfs/dbraw/zinc/17/48/75/207174875.db2.gz MGAGILADFMERHC-UJVYDMDKSA-N 1 2 378.516 4.010 40 0 GIABLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020038686 207175273 /nfs/dbraw/zinc/17/52/73/207175273.db2.gz NJSBYTDBGQPFMT-OGECGYFKSA-N 1 2 398.934 4.355 40 0 GIABLO Clc1ccccc1C[NH2+]C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898143 207190034 /nfs/dbraw/zinc/19/00/34/207190034.db2.gz RAJORCVCIHVHPY-UHFFFAOYSA-N 1 2 384.863 4.008 40 0 biogenic,in-vitro GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@H+]3[C@@H]1[C@@H]1Nc3ccccc3S1)S2 ZINC000031852378 207386182 /nfs/dbraw/zinc/38/61/82/207386182.db2.gz SKSITQFSDMBHNB-CENDIDJXSA-N 1 2 383.542 4.264 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@@H+]3[C@@H]1[C@@H]1Nc3ccccc3S1)S2 ZINC000031852378 207386188 /nfs/dbraw/zinc/38/61/88/207386188.db2.gz SKSITQFSDMBHNB-CENDIDJXSA-N 1 2 383.542 4.264 40 0 GIABLO COc1ccc([C@@H](CC(=O)c2ccccc2)SCC[NH+]2CCOCC2)cc1 ZINC000031949292 207388398 /nfs/dbraw/zinc/38/83/98/207388398.db2.gz KWHNNNWHUCDZCS-JOCHJYFZSA-N 1 2 385.529 4.075 40 0 GIABLO c1ccc(-c2cnc3c(c2)[C@H]([NH2+]C2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396309 208014167 /nfs/dbraw/zinc/01/41/67/208014167.db2.gz CJGUOVOAPNKZNW-HXUWFJFHSA-N 1 2 398.495 4.166 40 0 GIABLO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219855240 136204329 /nfs/dbraw/zinc/20/43/29/136204329.db2.gz VACBIMGRKIXDNB-GOSISDBHSA-N 1 2 393.531 4.378 40 0 GIABLO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cnc(C)s4)CCO3)n2)cc1 ZINC000257327649 209077138 /nfs/dbraw/zinc/07/71/38/209077138.db2.gz XCETVRQOORIDHC-NRFANRHFSA-N 1 2 381.501 4.096 40 0 GIABLO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cnc(C)s4)CCO3)n2)cc1 ZINC000257327649 209077144 /nfs/dbraw/zinc/07/71/44/209077144.db2.gz XCETVRQOORIDHC-NRFANRHFSA-N 1 2 381.501 4.096 40 0 GIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(F)cc3)n2)cc1 ZINC000015675556 560094994 /nfs/dbraw/zinc/09/49/94/560094994.db2.gz CYFLABPJVOMLCG-FQEVSTJZSA-N 1 2 389.434 4.207 40 0 biogenic,in-vitro GIABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329068594 570216443 /nfs/dbraw/zinc/21/64/43/570216443.db2.gz YQVWDSIKDDZUQO-UHFFFAOYSA-N 1 2 388.515 4.353 40 0 GIABLO C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000216393464 570300710 /nfs/dbraw/zinc/30/07/10/570300710.db2.gz GDDFTFOMZWVNFV-GOSISDBHSA-N 1 2 380.532 4.307 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2NC2CCC2)cc1 ZINC000072213937 570314092 /nfs/dbraw/zinc/31/40/92/570314092.db2.gz LCZDAYLCNVCVIW-FQEVSTJZSA-N 1 2 385.533 4.270 40 0 GIABLO CC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669450 570366742 /nfs/dbraw/zinc/36/67/42/570366742.db2.gz HHRKMIZHKMOWCQ-FQEVSTJZSA-N 1 2 382.556 4.068 40 0 GIABLO CCCCc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000225220525 570557581 /nfs/dbraw/zinc/55/75/81/570557581.db2.gz KUFIYKWFKHRFAL-UHFFFAOYSA-N 1 2 383.561 4.249 40 0 GIABLO CCCn1c(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087604 570606633 /nfs/dbraw/zinc/60/66/33/570606633.db2.gz YHMVDWKNXPPZHS-KRWDZBQOSA-N 1 2 390.487 4.191 40 0 GIABLO CCCn1c(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087604 570606637 /nfs/dbraw/zinc/60/66/37/570606637.db2.gz YHMVDWKNXPPZHS-KRWDZBQOSA-N 1 2 390.487 4.191 40 0 GIABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000012143604 570615505 /nfs/dbraw/zinc/61/55/05/570615505.db2.gz VMAUWDCIMOGKLJ-NRFANRHFSA-N 1 2 387.487 4.283 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000012223008 570628413 /nfs/dbraw/zinc/62/84/13/570628413.db2.gz NXGHSCPKGKENRO-MRXNPFEDSA-N 1 2 375.398 4.179 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000012223008 570628415 /nfs/dbraw/zinc/62/84/15/570628415.db2.gz NXGHSCPKGKENRO-MRXNPFEDSA-N 1 2 375.398 4.179 40 0 GIABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)CC1CCCCC1)CC2 ZINC000585111363 570946008 /nfs/dbraw/zinc/94/60/08/570946008.db2.gz QKDRKUYWVMJBOX-UHFFFAOYSA-N 1 2 381.520 4.052 40 0 GIABLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)c1 ZINC000019692551 818598896 /nfs/dbraw/zinc/59/88/96/818598896.db2.gz JCVSVCKMJKACFK-QHCPKHFHSA-N 1 2 378.447 4.470 40 0 GIABLO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)c1 ZINC000019692551 818598900 /nfs/dbraw/zinc/59/89/00/818598900.db2.gz JCVSVCKMJKACFK-QHCPKHFHSA-N 1 2 378.447 4.470 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329027085 206240598 /nfs/dbraw/zinc/24/05/98/206240598.db2.gz PQUKFSAUJRFRIP-FQEVSTJZSA-N 1 2 396.922 4.260 40 0 GIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000328998557 206241205 /nfs/dbraw/zinc/24/12/05/206241205.db2.gz JSTQGPQMWGTJLG-KRWDZBQOSA-N 1 2 394.441 4.276 40 0 GIABLO Cc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329040724 206242866 /nfs/dbraw/zinc/24/28/66/206242866.db2.gz SDWFAVSAYIPHLE-FQEVSTJZSA-N 1 2 376.504 4.355 40 0 GIABLO Cc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329040726 206243032 /nfs/dbraw/zinc/24/30/32/206243032.db2.gz SDWFAVSAYIPHLE-HXUWFJFHSA-N 1 2 376.504 4.355 40 0 GIABLO O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000019338194 207116323 /nfs/dbraw/zinc/11/63/23/207116323.db2.gz FNJHWJIQQWJRMX-HXUWFJFHSA-N 1 2 392.846 4.092 40 0 GIABLO COc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nccs1)OCCO2 ZINC000019550646 207130561 /nfs/dbraw/zinc/13/05/61/207130561.db2.gz UTPANWILOIQGRT-OAHLLOKOSA-N 1 2 388.514 4.058 40 0 GIABLO COc1cccc([C@@H]2[NH2+][C@H](c3cccnc3OC)Cc3cc(OC)ccc32)c1 ZINC000019566503 207136920 /nfs/dbraw/zinc/13/69/20/207136920.db2.gz LMWMMGBAYXLZBJ-VXKWHMMOSA-N 1 2 376.456 4.084 40 0 GIABLO Cc1[nH]c2c(cccc2C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1C ZINC000019576932 207138690 /nfs/dbraw/zinc/13/86/90/207138690.db2.gz SGKDSHMICQDJBW-IBGZPJMESA-N 1 2 376.435 4.177 40 0 GIABLO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019555002 207132925 /nfs/dbraw/zinc/13/29/25/207132925.db2.gz TYZCIQKINSUXCF-MRXNPFEDSA-N 1 2 379.489 4.481 40 0 GIABLO Cc1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019555002 207132928 /nfs/dbraw/zinc/13/29/28/207132928.db2.gz TYZCIQKINSUXCF-MRXNPFEDSA-N 1 2 379.489 4.481 40 0 GIABLO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020042968 207176457 /nfs/dbraw/zinc/17/64/57/207176457.db2.gz HSXAYZHHAWDFSO-NJTIBFSMSA-N 1 2 392.543 4.237 40 0 GIABLO CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000030754060 207373414 /nfs/dbraw/zinc/37/34/14/207373414.db2.gz DKDQEYMTEDQMAW-HWWNHIDJSA-N 1 2 398.934 4.355 40 0 GIABLO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)c1OC ZINC000031860791 207386014 /nfs/dbraw/zinc/38/60/14/207386014.db2.gz GWPIAAOPZQZVTR-RUGFAHKUSA-N 1 2 397.471 4.015 40 0 GIABLO Cc1cc(N2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)nc(C)[nH+]1 ZINC000072371418 208004807 /nfs/dbraw/zinc/00/48/07/208004807.db2.gz CCIHUOWDBZHZTH-MRXNPFEDSA-N 1 2 397.910 4.085 40 0 GIABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378962 208012678 /nfs/dbraw/zinc/01/26/78/208012678.db2.gz JKZRBKZAEHGONY-FQEVSTJZSA-N 1 2 388.515 4.169 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257294119 209068527 /nfs/dbraw/zinc/06/85/27/209068527.db2.gz QSOUVFCZLKDFCI-OAQYLSRUSA-N 1 2 390.487 4.111 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257294119 209068532 /nfs/dbraw/zinc/06/85/32/209068532.db2.gz QSOUVFCZLKDFCI-OAQYLSRUSA-N 1 2 390.487 4.111 40 0 GIABLO Clc1ccccc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257297591 209070469 /nfs/dbraw/zinc/07/04/69/209070469.db2.gz RHZAYTTWAYKQGJ-JOCHJYFZSA-N 1 2 397.906 4.258 40 0 GIABLO Clc1ccccc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257297591 209070466 /nfs/dbraw/zinc/07/04/66/209070466.db2.gz RHZAYTTWAYKQGJ-JOCHJYFZSA-N 1 2 397.906 4.258 40 0 GIABLO CC(=O)N1CCCc2cc(C(=O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000057822676 136154017 /nfs/dbraw/zinc/15/40/17/136154017.db2.gz NYMRGVXVNKUVKT-UHFFFAOYSA-N 1 2 392.474 4.097 40 0 GIABLO CC(=O)N1CCCc2cc(C(=O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000057822676 136154018 /nfs/dbraw/zinc/15/40/18/136154018.db2.gz NYMRGVXVNKUVKT-UHFFFAOYSA-N 1 2 392.474 4.097 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@H+]3[C@@H]1[C@H]1Nc3ccccc3S1)S2 ZINC000073351361 222271458 /nfs/dbraw/zinc/27/14/58/222271458.db2.gz SKSITQFSDMBHNB-UHZRXMQZSA-N 1 2 383.542 4.264 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@@H+]3[C@@H]1[C@H]1Nc3ccccc3S1)S2 ZINC000073351361 222271460 /nfs/dbraw/zinc/27/14/60/222271460.db2.gz SKSITQFSDMBHNB-UHZRXMQZSA-N 1 2 383.542 4.264 40 0 GIABLO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219857987 536712486 /nfs/dbraw/zinc/71/24/86/536712486.db2.gz DXFIAMFAACIKDG-UHFFFAOYSA-N 1 2 386.879 4.290 40 0 GIABLO O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514289500 560032679 /nfs/dbraw/zinc/03/26/79/560032679.db2.gz MRSWWSHLDFMGHJ-PMACEKPBSA-N 1 2 391.515 4.151 40 0 biogenic,in-vitro GIABLO O=C([O-])C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514289500 560032681 /nfs/dbraw/zinc/03/26/81/560032681.db2.gz MRSWWSHLDFMGHJ-PMACEKPBSA-N 1 2 391.515 4.151 40 0 biogenic,in-vitro GIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3cccs3)n2)cc1 ZINC000015675560 560095016 /nfs/dbraw/zinc/09/50/16/560095016.db2.gz RGYUJQCVNDCNHJ-SFHVURJKSA-N 1 2 377.473 4.129 40 0 biogenic,in-vitro GIABLO C[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329021730 570213344 /nfs/dbraw/zinc/21/33/44/570213344.db2.gz OIAIGRXDPHJZKU-MRXNPFEDSA-N 1 2 376.504 4.399 40 0 GIABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765734 570217103 /nfs/dbraw/zinc/21/71/03/570217103.db2.gz GQGVXAILSFKCEO-OAQYLSRUSA-N 1 2 396.510 4.277 40 0 GIABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765734 570217108 /nfs/dbraw/zinc/21/71/08/570217108.db2.gz GQGVXAILSFKCEO-OAQYLSRUSA-N 1 2 396.510 4.277 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000072216652 570317413 /nfs/dbraw/zinc/31/74/13/570317413.db2.gz RWGIUUWKZFWEQC-NRFANRHFSA-N 1 2 399.560 4.296 40 0 GIABLO COc1cccc(CC[N@@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)c1OC ZINC000057718922 570370860 /nfs/dbraw/zinc/37/08/60/570370860.db2.gz PONFEFHGLARYLL-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1cccc(CC[N@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)c1OC ZINC000057718922 570370863 /nfs/dbraw/zinc/37/08/63/570370863.db2.gz PONFEFHGLARYLL-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc(CN(Cc2ccco2)Cc2cccnc2)cc1Cn1cc[nH+]c1 ZINC000012116536 570611407 /nfs/dbraw/zinc/61/14/07/570611407.db2.gz MEFPGNQLJVEEME-UHFFFAOYSA-N 1 2 388.471 4.130 40 0 GIABLO CC(C)Oc1cccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044916258 570642995 /nfs/dbraw/zinc/64/29/95/570642995.db2.gz PDSMZDFEEQEBAI-UHFFFAOYSA-N 1 2 377.488 4.081 40 0 GIABLO C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013676555 570772187 /nfs/dbraw/zinc/77/21/87/570772187.db2.gz IKUWYHMATKVYNC-GOSISDBHSA-N 1 2 380.532 4.307 40 0 GIABLO C[C@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1[NH+]1CCCCC1)OCO3 ZINC000073312364 570884819 /nfs/dbraw/zinc/88/48/19/570884819.db2.gz BZKPASBEIZXLFA-SBQFXOPASA-N 1 2 395.455 4.116 40 0 GIABLO CC[C@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008050575 817989345 /nfs/dbraw/zinc/98/93/45/817989345.db2.gz HILNTLMMVZYSCN-KXOMFBTKSA-N 1 2 378.516 4.010 40 0 GIABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012438418 818159381 /nfs/dbraw/zinc/15/93/81/818159381.db2.gz SDQQOTHGDARHHY-OKILXGFUSA-N 1 2 388.533 4.235 40 0 GIABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012438418 818159385 /nfs/dbraw/zinc/15/93/85/818159385.db2.gz SDQQOTHGDARHHY-OKILXGFUSA-N 1 2 388.533 4.235 40 0 GIABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)c1 ZINC000019692550 818598929 /nfs/dbraw/zinc/59/89/29/818598929.db2.gz JCVSVCKMJKACFK-HSZRJFAPSA-N 1 2 378.447 4.470 40 0 GIABLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)c1 ZINC000019692550 818598935 /nfs/dbraw/zinc/59/89/35/818598935.db2.gz JCVSVCKMJKACFK-HSZRJFAPSA-N 1 2 378.447 4.470 40 0 GIABLO Clc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCC2)n1 ZINC000328990967 206239311 /nfs/dbraw/zinc/23/93/11/206239311.db2.gz IQXGEWWIDPVUDA-UHFFFAOYSA-N 1 2 379.895 4.002 40 0 GIABLO CNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328992483 206239536 /nfs/dbraw/zinc/23/95/36/206239536.db2.gz IVPJZBZUGJOFMI-UHFFFAOYSA-N 1 2 376.407 4.385 40 0 GIABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1C(F)(F)F ZINC000328972676 206239766 /nfs/dbraw/zinc/23/97/66/206239766.db2.gz DXRIAHVNASVDCR-UHFFFAOYSA-N 1 2 392.425 4.323 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329025647 206241045 /nfs/dbraw/zinc/24/10/45/206241045.db2.gz PHGALWJWKINYCC-OAHLLOKOSA-N 1 2 381.307 4.255 40 0 GIABLO O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000258329225 206288053 /nfs/dbraw/zinc/28/80/53/206288053.db2.gz AHUDFFMGSBAROX-UHFFFAOYSA-N 1 2 385.467 4.153 40 0 GIABLO COc1ccc2cc(C(=O)N3CC[C@@H](c4[nH+]c(C)n5c(C)csc45)C3)[nH]c2c1 ZINC000019240526 207111047 /nfs/dbraw/zinc/11/10/47/207111047.db2.gz ISZQKIQZFSREOC-OAHLLOKOSA-N 1 2 394.500 4.132 40 0 GIABLO Cc1ncsc1-c1nc(NCCCn2cc[nH+]c2)ncc1-c1ccc(F)cc1 ZINC000019562397 207134487 /nfs/dbraw/zinc/13/44/87/207134487.db2.gz FJFRXYUGYMWXFO-UHFFFAOYSA-N 1 2 394.479 4.413 40 0 GIABLO COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)n4cc[nH+]c4)n3)c2c1 ZINC000019581508 207139016 /nfs/dbraw/zinc/13/90/16/207139016.db2.gz NBFNJEWHQUJAGT-LBPRGKRZSA-N 1 2 381.461 4.005 40 0 GIABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019594355 207143899 /nfs/dbraw/zinc/14/38/99/207143899.db2.gz SJVWICHEDWDJEE-HSZRJFAPSA-N 1 2 396.462 4.102 40 0 GIABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019594355 207143903 /nfs/dbraw/zinc/14/39/03/207143903.db2.gz SJVWICHEDWDJEE-HSZRJFAPSA-N 1 2 396.462 4.102 40 0 GIABLO COCCOc1cccc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019593801 207144042 /nfs/dbraw/zinc/14/40/42/207144042.db2.gz LXFCDHUHKVLSGE-UHFFFAOYSA-N 1 2 397.450 4.141 40 0 GIABLO COCCOc1cccc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019593801 207144046 /nfs/dbraw/zinc/14/40/46/207144046.db2.gz LXFCDHUHKVLSGE-UHFFFAOYSA-N 1 2 397.450 4.141 40 0 GIABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1ccccc1N1CCCC1 ZINC000019718460 207155078 /nfs/dbraw/zinc/15/50/78/207155078.db2.gz MULVJPIAZLZJLF-QGZVFWFLSA-N 1 2 376.504 4.076 40 0 GIABLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020108284 207176916 /nfs/dbraw/zinc/17/69/16/207176916.db2.gz AWKCPVAIEICVQL-KRWDZBQOSA-N 1 2 377.488 4.254 40 0 GIABLO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020482437 207196063 /nfs/dbraw/zinc/19/60/63/207196063.db2.gz GMDWPLWMKLZNHT-QFIPXVFZSA-N 1 2 385.467 4.499 40 0 GIABLO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022511150 207255823 /nfs/dbraw/zinc/25/58/23/207255823.db2.gz LBOMMNDTXHPHGR-XLIBHFEYSA-N 1 2 392.543 4.318 40 0 GIABLO COc1cc2ccccc2cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022530168 207256448 /nfs/dbraw/zinc/25/64/48/207256448.db2.gz NNCSWEIOJLMLER-JXMROGBWSA-N 1 2 386.495 4.320 40 0 GIABLO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3CC(=O)Nc3nccs3)n2)cc1 ZINC000072357698 208001616 /nfs/dbraw/zinc/00/16/16/208001616.db2.gz OBFBGBXPXRTMOM-HXUWFJFHSA-N 1 2 392.528 4.213 40 0 GIABLO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3CC(=O)Nc3nccs3)n2)cc1 ZINC000072357698 208001621 /nfs/dbraw/zinc/00/16/21/208001621.db2.gz OBFBGBXPXRTMOM-HXUWFJFHSA-N 1 2 392.528 4.213 40 0 GIABLO Cc1cc(N2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)nc(C)[nH+]1 ZINC000072371417 208005552 /nfs/dbraw/zinc/00/55/52/208005552.db2.gz CCIHUOWDBZHZTH-INIZCTEOSA-N 1 2 397.910 4.085 40 0 GIABLO O=C(c1ccc(Cc2ccccc2)nc1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257320726 209074528 /nfs/dbraw/zinc/07/45/28/209074528.db2.gz VYHARPPLVLQAGF-UHFFFAOYSA-N 1 2 396.494 4.340 40 0 GIABLO CC(C)(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257342401 209078214 /nfs/dbraw/zinc/07/82/14/209078214.db2.gz ZOJZSWQVNSXKEM-QGZVFWFLSA-N 1 2 381.524 4.046 40 0 GIABLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@@H]1CCC=CO1)[C@H]3c1cccnc1 ZINC000072341982 222231923 /nfs/dbraw/zinc/23/19/23/222231923.db2.gz IQNCEWVYHGYEEK-MBSDFSHPSA-N 1 2 375.472 4.212 40 0 GIABLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@@H]1CCC=CO1)[C@H]3c1cccnc1 ZINC000072341982 222231927 /nfs/dbraw/zinc/23/19/27/222231927.db2.gz IQNCEWVYHGYEEK-MBSDFSHPSA-N 1 2 375.472 4.212 40 0 GIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348884 222235091 /nfs/dbraw/zinc/23/50/91/222235091.db2.gz ICUWFWLBVYXULY-INIZCTEOSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348884 222235094 /nfs/dbraw/zinc/23/50/94/222235094.db2.gz ICUWFWLBVYXULY-INIZCTEOSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(C[NH+]1CCCCCC1)Nc1cc(Br)ccc1Br ZINC000408581133 534527025 /nfs/dbraw/zinc/52/70/25/534527025.db2.gz GLFVAZSBXRUNRR-UHFFFAOYSA-N 1 2 390.119 4.026 40 0 GIABLO COc1ccc(-c2cc(CC3([NH2+]Cc4ccccc4Cl)COC3)no2)cc1 ZINC000072321949 560076468 /nfs/dbraw/zinc/07/64/68/560076468.db2.gz ISALXQSRPUIZGG-UHFFFAOYSA-N 1 2 384.863 4.105 40 0 biogenic,in-vitro GIABLO CC(C)c1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000216356871 570299694 /nfs/dbraw/zinc/29/96/94/570299694.db2.gz BGSRTLRXOPXVEK-ZRFOIIEFSA-N 1 2 392.543 4.435 40 0 GIABLO CC(C)(C)OC(=O)N1CCN(Cc2c[nH+]c3ccccn23)[C@@H](c2ccccc2)C1 ZINC000035572453 570554714 /nfs/dbraw/zinc/55/47/14/570554714.db2.gz OWMXTPYYDXANRF-HXUWFJFHSA-N 1 2 392.503 4.128 40 0 GIABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225743886 570612547 /nfs/dbraw/zinc/61/25/47/570612547.db2.gz ZFVPGMWWGKFLIO-GOSISDBHSA-N 1 2 377.488 4.388 40 0 GIABLO CCc1[nH+]c2cc(NC(=O)CCCc3nc4cc(F)ccc4[nH]3)ccc2n1C ZINC000012147371 570617115 /nfs/dbraw/zinc/61/71/15/570617115.db2.gz MKBRBBICEKNEDQ-UHFFFAOYSA-N 1 2 379.439 4.113 40 0 GIABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)NCCc4ccccc4)C3)[nH+]c2cc1C ZINC000004967251 570654191 /nfs/dbraw/zinc/65/41/91/570654191.db2.gz NIGAYFDHQRUQMB-LJQANCHMSA-N 1 2 392.572 4.476 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329025646 206240786 /nfs/dbraw/zinc/24/07/86/206240786.db2.gz PHGALWJWKINYCC-HNNXBMFYSA-N 1 2 381.307 4.255 40 0 GIABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329007728 206241399 /nfs/dbraw/zinc/24/13/99/206241399.db2.gz LNODMLNKCTWCBX-FQEVSTJZSA-N 1 2 380.467 4.185 40 0 GIABLO COc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019240220 207111391 /nfs/dbraw/zinc/11/13/91/207111391.db2.gz ZYUQDNTYKZTYFN-OAHLLOKOSA-N 1 2 388.514 4.324 40 0 GIABLO O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccccc1Cn1cc[nH+]c1 ZINC000019349681 207117689 /nfs/dbraw/zinc/11/76/89/207117689.db2.gz NBFPQSJHDPQDMY-UHFFFAOYSA-N 1 2 392.459 4.370 40 0 GIABLO Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019239521 207110829 /nfs/dbraw/zinc/11/08/29/207110829.db2.gz CUPZPZRGENLJQK-KBRIMQKVSA-N 1 2 379.430 4.231 40 0 GIABLO Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019239521 207110834 /nfs/dbraw/zinc/11/08/34/207110834.db2.gz CUPZPZRGENLJQK-KBRIMQKVSA-N 1 2 379.430 4.231 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000019522346 207126801 /nfs/dbraw/zinc/12/68/01/207126801.db2.gz QOYRKMIFPHOGQI-MRXNPFEDSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000019522346 207126806 /nfs/dbraw/zinc/12/68/06/207126806.db2.gz QOYRKMIFPHOGQI-MRXNPFEDSA-N 1 2 375.398 4.043 40 0 GIABLO CCn1c2ccccc2nc1CN(CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019524289 207129113 /nfs/dbraw/zinc/12/91/13/207129113.db2.gz DPSKUUVYXSZDST-UHFFFAOYSA-N 1 2 391.494 4.484 40 0 GIABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)cc1 ZINC000019454505 207122913 /nfs/dbraw/zinc/12/29/13/207122913.db2.gz HCSPMGGXIDYISD-OAHLLOKOSA-N 1 2 393.443 4.130 40 0 GIABLO Clc1ccc(-n2cc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019662913 207146557 /nfs/dbraw/zinc/14/65/57/207146557.db2.gz IQPGAMMPEVVWBA-OAQYLSRUSA-N 1 2 382.895 4.102 40 0 GIABLO Clc1ccc(-n2cc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019662913 207146559 /nfs/dbraw/zinc/14/65/59/207146559.db2.gz IQPGAMMPEVVWBA-OAQYLSRUSA-N 1 2 382.895 4.102 40 0 GIABLO Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc(C)c1Cl ZINC000020036799 207174826 /nfs/dbraw/zinc/17/48/26/207174826.db2.gz TWWIBCUJRWMXNI-INIZCTEOSA-N 1 2 383.879 4.226 40 0 GIABLO Cc1cc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc(C)c1Cl ZINC000020036795 207174331 /nfs/dbraw/zinc/17/43/31/207174331.db2.gz TWWIBCUJRWMXNI-MRXNPFEDSA-N 1 2 383.879 4.226 40 0 GIABLO Cc1sc2ncnc(NCC[NH+]3CCOCC3)c2c1-c1ccc(Cl)cc1 ZINC000020449481 207193921 /nfs/dbraw/zinc/19/39/21/207193921.db2.gz GRQRTDJUCJSMER-UHFFFAOYSA-N 1 2 388.924 4.064 40 0 GIABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 ZINC000072353150 208001165 /nfs/dbraw/zinc/00/11/65/208001165.db2.gz LTDRHEYADWBWLI-FQEVSTJZSA-N 1 2 394.519 4.277 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072379023 208011746 /nfs/dbraw/zinc/01/17/46/208011746.db2.gz GRRCRAIRCPUTBA-HXUWFJFHSA-N 1 2 390.487 4.133 40 0 GIABLO CC(C)n1c2c(nc1C(=O)Nc1cccc(F)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000096147136 208274203 /nfs/dbraw/zinc/27/42/03/208274203.db2.gz UMMLCJMQQYZLIN-UHFFFAOYSA-N 1 2 392.478 4.414 40 0 GIABLO CC(C)n1c2c(nc1C(=O)Nc1cccc(F)c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000096147136 208274209 /nfs/dbraw/zinc/27/42/09/208274209.db2.gz UMMLCJMQQYZLIN-UHFFFAOYSA-N 1 2 392.478 4.414 40 0 GIABLO CC(C)n1c2c(n3cc(-c4ccc(F)cc4)[nH+]c31)CN(Cc1cccnc1)CC2 ZINC000306128067 209100146 /nfs/dbraw/zinc/10/01/46/209100146.db2.gz GPFQJTONOWDYTG-UHFFFAOYSA-N 1 2 389.478 4.476 40 0 GIABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3cc(F)cc(F)c3)C2)c2sccn12 ZINC000257304515 209072204 /nfs/dbraw/zinc/07/22/04/209072204.db2.gz SMAKZRICDQUNJW-IBGZPJMESA-N 1 2 375.444 4.176 40 0 GIABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(Cl)cc3)n2)cc1F ZINC000015674300 560230935 /nfs/dbraw/zinc/23/09/35/560230935.db2.gz APNBJLJAUFSYRY-AEFFLSMTSA-N 1 2 387.842 4.145 40 0 biogenic,in-vitro GIABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(Cl)cc3)n2)cc1F ZINC000015674300 560230936 /nfs/dbraw/zinc/23/09/36/560230936.db2.gz APNBJLJAUFSYRY-AEFFLSMTSA-N 1 2 387.842 4.145 40 0 biogenic,in-vitro GIABLO C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000216393508 570300517 /nfs/dbraw/zinc/30/05/17/570300517.db2.gz GDDFTFOMZWVNFV-SFHVURJKSA-N 1 2 380.532 4.307 40 0 GIABLO O=S1(=O)CC[C@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420076 570307278 /nfs/dbraw/zinc/30/72/78/570307278.db2.gz FHSIOCHJBWKQOJ-QHCPKHFHSA-N 1 2 391.536 4.465 40 0 GIABLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420076 570307282 /nfs/dbraw/zinc/30/72/82/570307282.db2.gz FHSIOCHJBWKQOJ-QHCPKHFHSA-N 1 2 391.536 4.465 40 0 GIABLO CCN(CC)c1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212874 570313738 /nfs/dbraw/zinc/31/37/38/570313738.db2.gz ATNODAIIDUQHDD-FQEVSTJZSA-N 1 2 387.549 4.152 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NCC(C)C)[nH+]c2)cc1 ZINC000072213352 570314257 /nfs/dbraw/zinc/31/42/57/570314257.db2.gz CCPMMILOQCBLIA-HXUWFJFHSA-N 1 2 387.549 4.374 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N2CCCCCC2)cc1 ZINC000072216712 570317920 /nfs/dbraw/zinc/31/79/20/570317920.db2.gz CMWMYOSKVDFQRL-NRFANRHFSA-N 1 2 399.560 4.296 40 0 GIABLO CC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669449 570366603 /nfs/dbraw/zinc/36/66/03/570366603.db2.gz OVHIYDBBXMTWOK-HXUWFJFHSA-N 1 2 382.556 4.068 40 0 GIABLO CCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669667 570367246 /nfs/dbraw/zinc/36/72/46/570367246.db2.gz RGYKUZCFPXITLU-KRWDZBQOSA-N 1 2 390.963 4.053 40 0 GIABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)cc1OC ZINC000057718904 570370902 /nfs/dbraw/zinc/37/09/02/570370902.db2.gz GVONOKYZGASRAI-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc(CC[N@H+]2CCOc3nc4c(ccc(C)c4C)cc3C2)cc1OC ZINC000057718904 570370906 /nfs/dbraw/zinc/37/09/06/570370906.db2.gz GVONOKYZGASRAI-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO Cc1cc2[nH+]cn(CCC(=O)Nc3nnc(-c4ccccc4F)s3)c2cc1C ZINC000035316911 570470450 /nfs/dbraw/zinc/47/04/50/570470450.db2.gz SPFHOCMYHHVEPH-UHFFFAOYSA-N 1 2 395.463 4.340 40 0 GIABLO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000224539263 570517339 /nfs/dbraw/zinc/51/73/39/570517339.db2.gz VMIGWJHPXSRSSW-JXMROGBWSA-N 1 2 392.543 4.355 40 0 GIABLO Cc1ccccc1[C@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccncc1 ZINC000012116876 570611394 /nfs/dbraw/zinc/61/13/94/570611394.db2.gz NLBRUBXQAHUAJD-HSZRJFAPSA-N 1 2 382.467 4.159 40 0 GIABLO Cc1cccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCCC4)c1 ZINC000004902599 570647044 /nfs/dbraw/zinc/64/70/44/570647044.db2.gz UHMSTZGNONUUJR-UHFFFAOYSA-N 1 2 386.503 4.282 40 0 GIABLO Cc1ccc(OCCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000014397107 570882840 /nfs/dbraw/zinc/88/28/40/570882840.db2.gz LIVONJYXDJOSJE-WEVVVXLNSA-N 1 2 378.516 4.012 40 0 GIABLO CCn1c2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)o3)cc2nc1C(C)C ZINC000019524259 210255858 /nfs/dbraw/zinc/25/58/58/210255858.db2.gz CYHOIBJHMRBZGU-UHFFFAOYSA-N 1 2 377.448 4.270 40 0 GIABLO C[C@H](NC(=O)CCn1cc[nH+]c1-c1ccccc1)c1nc2ccccc2s1 ZINC000019459860 210250891 /nfs/dbraw/zinc/25/08/91/210250891.db2.gz RHVSNMIMCDHOTL-HNNXBMFYSA-N 1 2 376.485 4.427 40 0 GIABLO C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)n1cc[nH+]c1 ZINC000019080733 210225972 /nfs/dbraw/zinc/22/59/72/210225972.db2.gz FZQZXEIBAFWSFV-SNVBAGLBSA-N 1 2 381.288 4.437 40 0 GIABLO COc1ccc(CC[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)cc1OC ZINC000002572965 209369571 /nfs/dbraw/zinc/36/95/71/209369571.db2.gz QRCIYDSTKKDLBS-UHFFFAOYSA-N 1 2 395.330 4.375 40 0 GIABLO Cc1ccc(S(=O)(=O)[C@H](CC(=O)CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000001558463 209332499 /nfs/dbraw/zinc/33/24/99/209332499.db2.gz OIXVUQFXNMNDDH-HSZRJFAPSA-N 1 2 399.556 4.345 40 0 GIABLO FC(F)(F)Oc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329025195 209158376 /nfs/dbraw/zinc/15/83/76/209158376.db2.gz PEEHHKMPOWUWTF-UHFFFAOYSA-N 1 2 378.398 4.195 40 0 GIABLO CC(C)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329054896 209159222 /nfs/dbraw/zinc/15/92/22/209159222.db2.gz VMNIIPBEXHBTJS-UHFFFAOYSA-N 1 2 397.320 4.182 40 0 GIABLO Fc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329033385 209157568 /nfs/dbraw/zinc/15/75/68/209157568.db2.gz QUHYXTOUIWJEFB-UHFFFAOYSA-N 1 2 380.442 4.232 40 0 GIABLO Fc1cccc(Nc2ccc3c([C@H]4CCC[N@@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156584 211313410 /nfs/dbraw/zinc/31/34/10/211313410.db2.gz DAHPFGADMSGSAS-HXUWFJFHSA-N 1 2 388.450 4.344 40 0 GIABLO Fc1cccc(Nc2ccc3c([C@H]4CCC[N@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156584 211313415 /nfs/dbraw/zinc/31/34/15/211313415.db2.gz DAHPFGADMSGSAS-HXUWFJFHSA-N 1 2 388.450 4.344 40 0 GIABLO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)o1 ZINC000072353344 211097726 /nfs/dbraw/zinc/09/77/26/211097726.db2.gz JVKQCGFJTXXUTF-QGZVFWFLSA-N 1 2 391.475 4.153 40 0 GIABLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000067801038 211020592 /nfs/dbraw/zinc/02/05/92/211020592.db2.gz HJSATEFDDNYLES-UHFFFAOYSA-N 1 2 376.394 4.334 40 0 GIABLO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020483013 210339837 /nfs/dbraw/zinc/33/98/37/210339837.db2.gz RWPLZOSSAXABPK-QFIPXVFZSA-N 1 2 385.467 4.499 40 0 GIABLO CC(=O)Nc1sc2c(c1[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)CCCC2 ZINC000020192236 210321851 /nfs/dbraw/zinc/32/18/51/210321851.db2.gz LICYVNWQJOWLSH-NRFANRHFSA-N 1 2 384.545 4.315 40 0 GIABLO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1Cl ZINC000020050257 210314898 /nfs/dbraw/zinc/31/48/98/210314898.db2.gz XRJRERRBKUVOIE-INIZCTEOSA-N 1 2 383.879 4.226 40 0 GIABLO Cc1c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cccc1N1CCOCC1 ZINC000019664161 210279641 /nfs/dbraw/zinc/27/96/41/210279641.db2.gz DEQWCCZJEXWUSE-UHFFFAOYSA-N 1 2 392.503 4.258 40 0 GIABLO CC(C)c1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(O)CC4)cc3)cc2c1 ZINC000013563031 136201268 /nfs/dbraw/zinc/20/12/68/136201268.db2.gz HDBCREODYKOGJM-UHFFFAOYSA-N 1 2 391.515 4.225 40 0 GIABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000216416771 570300950 /nfs/dbraw/zinc/30/09/50/570300950.db2.gz IKHVRDOWXKWNJX-MBNRZODZSA-N 1 2 396.556 4.033 40 0 GIABLO Cc1ccccc1CSCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408573352 570340654 /nfs/dbraw/zinc/34/06/54/570340654.db2.gz CGCPKZIRYHGTKK-YRNVUSSQSA-N 1 2 380.557 4.086 40 0 GIABLO CC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669453 570366859 /nfs/dbraw/zinc/36/68/59/570366859.db2.gz HHRKMIZHKMOWCQ-HXUWFJFHSA-N 1 2 382.556 4.068 40 0 GIABLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1OC ZINC000031860785 570506760 /nfs/dbraw/zinc/50/67/60/570506760.db2.gz GWPIAAOPZQZVTR-ZGFCVWDJSA-N 1 2 397.471 4.015 40 0 GIABLO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044937376 570644386 /nfs/dbraw/zinc/64/43/86/570644386.db2.gz FEOGDBKKRDVDRM-JOCHJYFZSA-N 1 2 377.488 4.457 40 0 GIABLO COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)n2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286640 210238395 /nfs/dbraw/zinc/23/83/95/210238395.db2.gz PMJUEGVCEFEMJS-QRWLVFNGSA-N 1 2 393.487 4.287 40 0 GIABLO O=C(c1ccccc1OCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013687099 210079896 /nfs/dbraw/zinc/07/98/96/210079896.db2.gz SOXSBAJSPLNZSJ-UHFFFAOYSA-N 1 2 386.495 4.224 40 0 GIABLO C[NH+]1CCN(C(=O)c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)CC1 ZINC000041127563 209196337 /nfs/dbraw/zinc/19/63/37/209196337.db2.gz BSHCRZLCKJESCX-UHFFFAOYSA-N 1 2 390.270 4.189 40 0 GIABLO c1csc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306124475 212044472 /nfs/dbraw/zinc/04/44/72/212044472.db2.gz BQSJUQMOACXVRR-HXUWFJFHSA-N 1 2 376.485 4.031 40 0 GIABLO c1csc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306124475 212044475 /nfs/dbraw/zinc/04/44/75/212044475.db2.gz BQSJUQMOACXVRR-HXUWFJFHSA-N 1 2 376.485 4.031 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329059700 209160316 /nfs/dbraw/zinc/16/03/16/209160316.db2.gz WJPMESZUUMCBCE-MRXNPFEDSA-N 1 2 381.307 4.255 40 0 GIABLO CC(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329054709 209159808 /nfs/dbraw/zinc/15/98/08/209159808.db2.gz VKSGASFJMCUYJK-UHFFFAOYSA-N 1 2 388.393 4.450 40 0 GIABLO Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257216106 212004918 /nfs/dbraw/zinc/00/49/18/212004918.db2.gz CTCWFPDDUPFYBX-IBGZPJMESA-N 1 2 389.499 4.240 40 0 GIABLO Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257216106 212004920 /nfs/dbraw/zinc/00/49/20/212004920.db2.gz CTCWFPDDUPFYBX-IBGZPJMESA-N 1 2 389.499 4.240 40 0 GIABLO Cc1ccc(C)c(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000328993754 209156593 /nfs/dbraw/zinc/15/65/93/209156593.db2.gz JBCUPCAMFSNPEY-NRFANRHFSA-N 1 2 376.504 4.355 40 0 GIABLO CCNc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)[nH+]1 ZINC000328980806 209153455 /nfs/dbraw/zinc/15/34/55/209153455.db2.gz GPNPEHOVZYCRDF-UHFFFAOYSA-N 1 2 383.293 4.234 40 0 GIABLO c1ccc(CNc2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096267938 211328848 /nfs/dbraw/zinc/32/88/48/211328848.db2.gz GZUFLUCQTPHZQY-NRFANRHFSA-N 1 2 384.487 4.074 40 0 GIABLO c1ccc(CNc2ccc3c([C@@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)cc1 ZINC000096267938 211328851 /nfs/dbraw/zinc/32/88/51/211328851.db2.gz GZUFLUCQTPHZQY-NRFANRHFSA-N 1 2 384.487 4.074 40 0 GIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348883 211094699 /nfs/dbraw/zinc/09/46/99/211094699.db2.gz ICUWFWLBVYXULY-MRXNPFEDSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348883 211094702 /nfs/dbraw/zinc/09/47/02/211094702.db2.gz ICUWFWLBVYXULY-MRXNPFEDSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000020452999 210334807 /nfs/dbraw/zinc/33/48/07/210334807.db2.gz GNDBKICQBXCZQP-UHFFFAOYSA-N 1 2 389.883 4.214 40 0 GIABLO CCCN1CCc2cc(-c3c[nH+]cn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 ZINC000019719555 210289807 /nfs/dbraw/zinc/28/98/07/210289807.db2.gz QQZSJEGQRFUIEG-INIZCTEOSA-N 1 2 377.536 4.477 40 0 GIABLO Cc1cc2[nH]c(CCNC(=O)c3cc4cc(F)ccc4nc3C)[nH+]c2cc1C ZINC000019718124 210289524 /nfs/dbraw/zinc/28/95/24/210289524.db2.gz JZERSLLVENYMKS-UHFFFAOYSA-N 1 2 376.435 4.148 40 0 GIABLO COc1ccccc1CNc1cc([C@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000019717886 210289535 /nfs/dbraw/zinc/28/95/35/210289535.db2.gz NJXJPNKSVVHYAB-CQSZACIVSA-N 1 2 379.508 4.331 40 0 GIABLO CCn1ncc(-c2cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)[nH+]c4c3)on2)c1C ZINC000019665031 210279518 /nfs/dbraw/zinc/27/95/18/210279518.db2.gz IYPFLAPSUXRNII-UHFFFAOYSA-N 1 2 392.463 4.293 40 0 GIABLO COc1ccccc1-c1csc(NC(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000019571865 210268457 /nfs/dbraw/zinc/26/84/57/210268457.db2.gz QTSWRFSNHVZETB-UHFFFAOYSA-N 1 2 390.468 4.316 40 0 GIABLO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(Nc3ccccc3)n1)CC2 ZINC000244468145 136192616 /nfs/dbraw/zinc/19/26/16/136192616.db2.gz ZFKPDWYOZHIWSR-UHFFFAOYSA-N 1 2 376.460 4.109 40 0 GIABLO C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529895 560212909 /nfs/dbraw/zinc/21/29/09/560212909.db2.gz BXQHNPDDXLIQNR-OALUTQOASA-N 1 2 392.503 4.187 40 0 biogenic,in-vitro GIABLO C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529895 560212911 /nfs/dbraw/zinc/21/29/11/560212911.db2.gz BXQHNPDDXLIQNR-OALUTQOASA-N 1 2 392.503 4.187 40 0 biogenic,in-vitro GIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000057710496 570370605 /nfs/dbraw/zinc/37/06/05/570370605.db2.gz ISUFFXMDKRJXNP-HXUWFJFHSA-N 1 2 379.508 4.048 40 0 GIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000057710496 570370607 /nfs/dbraw/zinc/37/06/07/570370607.db2.gz ISUFFXMDKRJXNP-HXUWFJFHSA-N 1 2 379.508 4.048 40 0 GIABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)OC2CCCCC2)cc1 ZINC000001346346 570572266 /nfs/dbraw/zinc/57/22/66/570572266.db2.gz IAVUMVJFLGQNTJ-UHFFFAOYSA-N 1 2 382.489 4.092 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012145799 570616294 /nfs/dbraw/zinc/61/62/94/570616294.db2.gz KSWPNWWDUUYZJW-KRWDZBQOSA-N 1 2 376.504 4.150 40 0 GIABLO Fc1ccccc1CN(CCCn1cc[nH+]c1)Cc1ccnn1[C@H]1CCCCO1 ZINC000043277858 570627191 /nfs/dbraw/zinc/62/71/91/570627191.db2.gz DFLIPMUAYAIEJH-JOCHJYFZSA-N 1 2 397.498 4.010 40 0 GIABLO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 ZINC000004848725 570634692 /nfs/dbraw/zinc/63/46/92/570634692.db2.gz ABIIQJZEDNUKHY-UHFFFAOYSA-N 1 2 376.547 4.200 40 0 GIABLO Cc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000031852103 570640427 /nfs/dbraw/zinc/64/04/27/570640427.db2.gz YAEGCTCHYOYHJZ-ZGBFETHSSA-N 1 2 380.557 4.333 40 0 GIABLO COc1ccc(C=O)cc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000012371093 570647738 /nfs/dbraw/zinc/64/77/38/570647738.db2.gz BKTFIJVUVIDMKI-UHFFFAOYSA-N 1 2 379.287 4.137 40 0 GIABLO Clc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328965237 571047695 /nfs/dbraw/zinc/04/76/95/571047695.db2.gz CBFFKLNCBSVXSE-UHFFFAOYSA-N 1 2 393.922 4.393 40 0 GIABLO Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000006961694 817729594 /nfs/dbraw/zinc/72/95/94/817729594.db2.gz OIYHKVHQUVTFJN-RGEXLXHISA-N 1 2 376.504 4.126 40 0 GIABLO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008051154 817989246 /nfs/dbraw/zinc/98/92/46/817989246.db2.gz FETWDCVCRYZHOE-MECCDNJOSA-N 1 2 398.934 4.355 40 0 GIABLO C[C@@H](CC(=O)N1CCC(c2onc3c2C[C@@H](C(C)(C)C)CC3)CC1)n1cc[nH+]c1 ZINC000019455120 210251278 /nfs/dbraw/zinc/25/12/78/210251278.db2.gz CDHIAGYAFZYRON-WMZOPIPTSA-N 1 2 398.551 4.379 40 0 GIABLO Clc1cccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1Cl ZINC000019292601 210239538 /nfs/dbraw/zinc/23/95/38/210239538.db2.gz ZHJDPBGBTUHNOY-UHFFFAOYSA-N 1 2 394.346 4.113 40 0 GIABLO Clc1cccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1Cl ZINC000019292601 210239539 /nfs/dbraw/zinc/23/95/39/210239539.db2.gz ZHJDPBGBTUHNOY-UHFFFAOYSA-N 1 2 394.346 4.113 40 0 GIABLO COc1ccc([C@@H]2[NH2+][C@H](c3ncccc3C)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019237836 210235165 /nfs/dbraw/zinc/23/51/65/210235165.db2.gz PVTNZGGNFFVFJV-RDPSFJRHSA-N 1 2 390.483 4.392 40 0 GIABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116885 210225513 /nfs/dbraw/zinc/22/55/13/210225513.db2.gz URPYDKQELFEZEC-KRWDZBQOSA-N 1 2 390.409 4.402 40 0 GIABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000019116885 210225517 /nfs/dbraw/zinc/22/55/17/210225517.db2.gz URPYDKQELFEZEC-KRWDZBQOSA-N 1 2 390.409 4.402 40 0 GIABLO COc1ccc(OC)c([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)c1 ZINC000004847709 209189858 /nfs/dbraw/zinc/18/98/58/209189858.db2.gz BFKKHFBFDIEKIX-NRFANRHFSA-N 1 2 399.539 4.017 40 0 GIABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cnc3ccccc3c2)[nH+]1 ZINC000257329901 212025492 /nfs/dbraw/zinc/02/54/92/212025492.db2.gz XLYWVRHAKQGGHF-OAQYLSRUSA-N 1 2 388.515 4.323 40 0 GIABLO Clc1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3cccnc3)CCO2)n1 ZINC000257270298 212015029 /nfs/dbraw/zinc/01/50/29/212015029.db2.gz MTPRDSHEHFKGEG-JOCHJYFZSA-N 1 2 379.891 4.294 40 0 GIABLO Clc1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)n1 ZINC000257270298 212015034 /nfs/dbraw/zinc/01/50/34/212015034.db2.gz MTPRDSHEHFKGEG-JOCHJYFZSA-N 1 2 379.891 4.294 40 0 GIABLO CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329069707 209158942 /nfs/dbraw/zinc/15/89/42/209158942.db2.gz YZYYUQCKTYSCCK-UHFFFAOYSA-N 1 2 378.785 4.445 40 0 GIABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329063937 209159245 /nfs/dbraw/zinc/15/92/45/209159245.db2.gz XGOJUBQEGFSMFV-UHFFFAOYSA-N 1 2 378.785 4.445 40 0 GIABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(C2CC2)[nH+]1 ZINC000329032268 209157126 /nfs/dbraw/zinc/15/71/26/209157126.db2.gz QOGATJGPDJUXIK-GFCCVEGCSA-N 1 2 375.314 4.223 40 0 GIABLO Fc1cc(F)cc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329042559 209157200 /nfs/dbraw/zinc/15/72/00/209157200.db2.gz SNTHMEFTESWRCO-UHFFFAOYSA-N 1 2 395.457 4.017 40 0 GIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Br)c1 ZINC000328966922 209154202 /nfs/dbraw/zinc/15/42/02/209154202.db2.gz COTWDQRMLFNTBP-UHFFFAOYSA-N 1 2 387.325 4.367 40 0 GIABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000328971216 209153751 /nfs/dbraw/zinc/15/37/51/209153751.db2.gz DODJMAKTXYNBAE-UHFFFAOYSA-N 1 2 378.451 4.233 40 0 GIABLO Cc1cc(N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)nc(C)[nH+]1 ZINC000072371420 211101870 /nfs/dbraw/zinc/10/18/70/211101870.db2.gz ASBDJXMAEADYAY-MRXNPFEDSA-N 1 2 397.910 4.085 40 0 GIABLO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348877 211095660 /nfs/dbraw/zinc/09/56/60/211095660.db2.gz VSKWASINCUEUDL-GOSISDBHSA-N 1 2 392.528 4.332 40 0 GIABLO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348877 211095664 /nfs/dbraw/zinc/09/56/64/211095664.db2.gz VSKWASINCUEUDL-GOSISDBHSA-N 1 2 392.528 4.332 40 0 GIABLO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000072355977 211099194 /nfs/dbraw/zinc/09/91/94/211099194.db2.gz PBCYRVRCGIXVQB-IBGZPJMESA-N 1 2 395.400 4.213 40 0 GIABLO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000072355977 211099196 /nfs/dbraw/zinc/09/91/96/211099196.db2.gz PBCYRVRCGIXVQB-IBGZPJMESA-N 1 2 395.400 4.213 40 0 GIABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1 ZINC000072353004 211096832 /nfs/dbraw/zinc/09/68/32/211096832.db2.gz YVKHUDVAVOFRPR-FQEVSTJZSA-N 1 2 391.450 4.135 40 0 GIABLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1 ZINC000072353004 211096837 /nfs/dbraw/zinc/09/68/37/211096837.db2.gz YVKHUDVAVOFRPR-FQEVSTJZSA-N 1 2 391.450 4.135 40 0 GIABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019922293 210306605 /nfs/dbraw/zinc/30/66/05/210306605.db2.gz SDQQOTHGDARHHY-ZIAGYGMSSA-N 1 2 388.533 4.235 40 0 GIABLO COc1ccccc1CCNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000019717909 210289695 /nfs/dbraw/zinc/28/96/95/210289695.db2.gz VEZTYVWQIGMBSD-HNNXBMFYSA-N 1 2 393.535 4.374 40 0 GIABLO Cc1cc2[nH+]cn(CCC(=O)Nc3cnn(Cc4ccccc4F)c3)c2cc1C ZINC000019661181 210279590 /nfs/dbraw/zinc/27/95/90/210279590.db2.gz BTTHFSQHTIPJRI-UHFFFAOYSA-N 1 2 391.450 4.066 40 0 GIABLO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)[nH+]c4c3)c12 ZINC000019662756 210279497 /nfs/dbraw/zinc/27/94/97/210279497.db2.gz SRSZOKHFAPSXNQ-UHFFFAOYSA-N 1 2 376.464 4.011 40 0 GIABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000057711330 136153796 /nfs/dbraw/zinc/15/37/96/136153796.db2.gz WTLMFYUDKVYCKD-UHFFFAOYSA-N 1 2 395.547 4.243 40 0 GIABLO O=C(CCC[N@@H+]1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccc(F)cc1 ZINC000022043131 570303252 /nfs/dbraw/zinc/30/32/52/570303252.db2.gz YCNCIZWAGQTWBI-IBGZPJMESA-N 1 2 391.490 4.012 40 0 in-man GIABLO O=C(CCC[N@H+]1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccc(F)cc1 ZINC000022043131 570303254 /nfs/dbraw/zinc/30/32/54/570303254.db2.gz YCNCIZWAGQTWBI-IBGZPJMESA-N 1 2 391.490 4.012 40 0 in-man GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CCC3)[nH+]c2)cc1 ZINC000072213876 570314045 /nfs/dbraw/zinc/31/40/45/570314045.db2.gz LTQCEYGBCADHQF-HXUWFJFHSA-N 1 2 385.533 4.270 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NCC(C)C)[nH+]c2)cc1 ZINC000072213353 570314055 /nfs/dbraw/zinc/31/40/55/570314055.db2.gz CCPMMILOQCBLIA-FQEVSTJZSA-N 1 2 387.549 4.374 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N2CCCCC2)cc1 ZINC000072216141 570317116 /nfs/dbraw/zinc/31/71/16/570317116.db2.gz PWTOKCXLPRACPJ-NRFANRHFSA-N 1 2 399.560 4.296 40 0 GIABLO COc1ccc([C@H]2C[C@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430380 570504372 /nfs/dbraw/zinc/50/43/72/570504372.db2.gz CBYNWEMJTGYPFZ-WZONZLPQSA-N 1 2 397.471 4.159 40 0 GIABLO C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1[NH+]1CCCCC1)OCO3 ZINC000031860807 570506574 /nfs/dbraw/zinc/50/65/74/570506574.db2.gz BZKPASBEIZXLFA-CVRXJBIPSA-N 1 2 395.455 4.116 40 0 GIABLO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104827 570554561 /nfs/dbraw/zinc/55/45/61/570554561.db2.gz LDJNMJUIQVWPEF-GDZNZVCISA-N 1 2 388.512 4.265 40 0 GIABLO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104847 570554577 /nfs/dbraw/zinc/55/45/77/570554577.db2.gz AHCGVMQAMMKOBS-RLFYNMQTSA-N 1 2 384.549 4.435 40 0 GIABLO Cc1cc(-c2cnc(NCc3ccccc3-n3cc[nH+]c3)nc2-c2ccco2)on1 ZINC000012087617 570606596 /nfs/dbraw/zinc/60/65/96/570606596.db2.gz BQOIKQBTTOXQFH-UHFFFAOYSA-N 1 2 398.426 4.498 40 0 GIABLO CCc1[nH+]c2cc(NC(=O)c3nc(-c4ccc(F)cc4)oc3C)ccc2n1C ZINC000012116907 570611414 /nfs/dbraw/zinc/61/14/14/570611414.db2.gz UGBRVJVNYLYHRC-UHFFFAOYSA-N 1 2 378.407 4.491 40 0 GIABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)NCc4ccccc4)C3)[nH+]c2cc1C ZINC000004967246 570654117 /nfs/dbraw/zinc/65/41/17/570654117.db2.gz PQUIJMQFUVOZAY-GOSISDBHSA-N 1 2 378.545 4.434 40 0 GIABLO c1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2ccccc2)cc1 ZINC000019371150 570925241 /nfs/dbraw/zinc/92/52/41/570925241.db2.gz CEDSBVAKUISJNP-UHFFFAOYSA-N 1 2 375.520 4.423 40 0 GIABLO c1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2ccccc2)cc1 ZINC000019371150 570925243 /nfs/dbraw/zinc/92/52/43/570925243.db2.gz CEDSBVAKUISJNP-UHFFFAOYSA-N 1 2 375.520 4.423 40 0 GIABLO CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008050581 817989182 /nfs/dbraw/zinc/98/91/82/817989182.db2.gz HILNTLMMVZYSCN-BWAMLYQTSA-N 1 2 378.516 4.010 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccncc3)cc2n1 ZINC000019522350 210256681 /nfs/dbraw/zinc/25/66/81/210256681.db2.gz PZCMSWDTSMWHRE-MRXNPFEDSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccncc3)cc2n1 ZINC000019522350 210256683 /nfs/dbraw/zinc/25/66/83/210256683.db2.gz PZCMSWDTSMWHRE-MRXNPFEDSA-N 1 2 375.398 4.043 40 0 GIABLO C[C@@H]1Cc2cc(C[N@@H+]3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1 ZINC000019498205 210252952 /nfs/dbraw/zinc/25/29/52/210252952.db2.gz PKFVHPHVAXQVQQ-CQSZACIVSA-N 1 2 379.435 4.439 40 0 GIABLO C[C@@H]1Cc2cc(C[N@H+]3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1 ZINC000019498205 210252957 /nfs/dbraw/zinc/25/29/57/210252957.db2.gz PKFVHPHVAXQVQQ-CQSZACIVSA-N 1 2 379.435 4.439 40 0 GIABLO C[NH+](C)/C=C/c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000019117959 210226163 /nfs/dbraw/zinc/22/61/63/210226163.db2.gz SUDPVYHCXGUVMJ-ONEGZZNKSA-N 1 2 384.909 4.057 40 0 GIABLO c1cc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cs1 ZINC000306144424 212055949 /nfs/dbraw/zinc/05/59/49/212055949.db2.gz ZERZCBNKNLUPLN-FQEVSTJZSA-N 1 2 376.485 4.031 40 0 GIABLO c1cc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cs1 ZINC000306144424 212055953 /nfs/dbraw/zinc/05/59/53/212055953.db2.gz ZERZCBNKNLUPLN-FQEVSTJZSA-N 1 2 376.485 4.031 40 0 GIABLO CCCN(CC1CC1)C(=O)C1CCC2(CC1)Nc1ccc(C)nc1-n1c[nH+]cc12 ZINC000306132333 212049653 /nfs/dbraw/zinc/04/96/53/212049653.db2.gz LFICGTKSTVSIBX-UHFFFAOYSA-N 1 2 393.535 4.035 40 0 GIABLO Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257302321 212019059 /nfs/dbraw/zinc/01/90/59/212019059.db2.gz SCMCXWPNCIQDCC-UHFFFAOYSA-N 1 2 375.472 4.165 40 0 GIABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Br)c1 ZINC000329064670 209159533 /nfs/dbraw/zinc/15/95/33/209159533.db2.gz XLIKTBGDRITNBY-UHFFFAOYSA-N 1 2 395.304 4.376 40 0 GIABLO Clc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329061243 209159468 /nfs/dbraw/zinc/15/94/68/209159468.db2.gz WPLPEKRFESWPMV-UHFFFAOYSA-N 1 2 379.895 4.002 40 0 GIABLO CNc1nc(Nc2cc(C)cc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328980888 209153575 /nfs/dbraw/zinc/15/35/75/209153575.db2.gz GQXSNBGCJUCYMC-UHFFFAOYSA-N 1 2 388.393 4.288 40 0 GIABLO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccccn2)[nH]1 ZINC000072390515 211107499 /nfs/dbraw/zinc/10/74/99/211107499.db2.gz IKDIFOHXZNCPES-LJQANCHMSA-N 1 2 382.414 4.250 40 0 GIABLO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(F)c2)nc(-c2ccccn2)[nH]1 ZINC000072390515 211107502 /nfs/dbraw/zinc/10/75/02/211107502.db2.gz IKDIFOHXZNCPES-LJQANCHMSA-N 1 2 382.414 4.250 40 0 GIABLO Cc1ccc2[nH+]c(C)cc(OCC(=O)NCCc3nc(C(C)(C)C)cs3)c2c1 ZINC000019661041 210280073 /nfs/dbraw/zinc/28/00/73/210280073.db2.gz LAWXQDZQAFBIGN-UHFFFAOYSA-N 1 2 397.544 4.343 40 0 GIABLO CN(C)c1ccc(C[C@H](CO)n2c[nH+]cc2-c2cnn(C3CCCCC3)c2)cc1 ZINC000019654422 210277791 /nfs/dbraw/zinc/27/77/91/210277791.db2.gz QDOWNJRIROKZIM-JOCHJYFZSA-N 1 2 393.535 4.094 40 0 GIABLO CC(=O)N[C@H](CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)c1ccc(F)cc1 ZINC000019656302 210276506 /nfs/dbraw/zinc/27/65/06/210276506.db2.gz SGOKXPHBKMOMEX-GOSISDBHSA-N 1 2 396.466 4.206 40 0 GIABLO COc1ccc(C[N@@H+](Cc2[nH]c3ccccc3c2Cl)C[C@@H](C)O)cc1OC ZINC000012185566 221163957 /nfs/dbraw/zinc/16/39/57/221163957.db2.gz YVJGWTZAKJHIND-CQSZACIVSA-N 1 2 388.895 4.222 40 0 GIABLO COc1ccc(C[N@H+](Cc2[nH]c3ccccc3c2Cl)C[C@@H](C)O)cc1OC ZINC000012185566 221163959 /nfs/dbraw/zinc/16/39/59/221163959.db2.gz YVJGWTZAKJHIND-CQSZACIVSA-N 1 2 388.895 4.222 40 0 GIABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000057711359 136153850 /nfs/dbraw/zinc/15/38/50/136153850.db2.gz BFFHKQOTECQYIM-UHFFFAOYSA-N 1 2 395.547 4.243 40 0 GIABLO CC(C)c1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc2c1 ZINC000013561406 136201213 /nfs/dbraw/zinc/20/12/13/136201213.db2.gz MFBLDWSHNREPQJ-UHFFFAOYSA-N 1 2 377.488 4.100 40 0 GIABLO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1C ZINC000219862015 136204440 /nfs/dbraw/zinc/20/44/40/136204440.db2.gz ZBMGEOCNKRFEER-UHFFFAOYSA-N 1 2 380.488 4.335 40 0 GIABLO O=C(CSc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408563128 534670574 /nfs/dbraw/zinc/67/05/74/534670574.db2.gz JHSDJVSBFYJFLO-QPJJXVBHSA-N 1 2 386.948 4.290 40 0 GIABLO F[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112175 560061311 /nfs/dbraw/zinc/06/13/11/560061311.db2.gz OJPBNURMHYOEIF-QAPCUYQASA-N 1 2 393.384 4.321 40 0 biogenic,in-vitro GIABLO F[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112175 560061313 /nfs/dbraw/zinc/06/13/13/560061313.db2.gz OJPBNURMHYOEIF-QAPCUYQASA-N 1 2 393.384 4.321 40 0 biogenic,in-vitro GIABLO CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cn(C)c[nH+]3)cs2)cc1 ZINC000585294891 570274590 /nfs/dbraw/zinc/27/45/90/570274590.db2.gz LFGJFIAJLJCOBL-IBGZPJMESA-N 1 2 395.532 4.028 40 0 GIABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Br)cc1 ZINC000225452700 570575558 /nfs/dbraw/zinc/57/55/58/570575558.db2.gz PBJAJORTKVHLOO-UHFFFAOYSA-N 1 2 387.306 4.121 40 0 GIABLO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)[nH]1 ZINC000012087606 570606812 /nfs/dbraw/zinc/60/68/12/570606812.db2.gz GFEFUVVJEPGDJP-AWEZNQCLSA-N 1 2 388.899 4.151 40 0 GIABLO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)[nH]1 ZINC000012087606 570606815 /nfs/dbraw/zinc/60/68/15/570606815.db2.gz GFEFUVVJEPGDJP-AWEZNQCLSA-N 1 2 388.899 4.151 40 0 GIABLO Cc1nn2c(nc3c(c2NCCCn2cc[nH+]c2)CCC3)c1-c1ccc(F)cc1 ZINC000012113387 570609131 /nfs/dbraw/zinc/60/91/31/570609131.db2.gz LMQHCBYSAULUMT-UHFFFAOYSA-N 1 2 390.466 4.031 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000012145800 570616377 /nfs/dbraw/zinc/61/63/77/570616377.db2.gz KSWPNWWDUUYZJW-QGZVFWFLSA-N 1 2 376.504 4.150 40 0 GIABLO CCc1[nH+]c2cc(NC(=O)c3cc(-c4ccccc4OC)on3)ccc2n1C ZINC000012147374 570617128 /nfs/dbraw/zinc/61/71/28/570617128.db2.gz NQVLLGREBRXEJF-UHFFFAOYSA-N 1 2 376.416 4.052 40 0 GIABLO Fc1ccccc1CN(CCCn1cc[nH+]c1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000043277857 570627059 /nfs/dbraw/zinc/62/70/59/570627059.db2.gz DFLIPMUAYAIEJH-QFIPXVFZSA-N 1 2 397.498 4.010 40 0 GIABLO COc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000004847704 570634487 /nfs/dbraw/zinc/63/44/87/570634487.db2.gz IMFWUPWWNZWCSN-OAQYLSRUSA-N 1 2 399.539 4.017 40 0 GIABLO CCOc1cc2c(cc1C[N@H+](Cc1ccccc1)Cc1ccncc1)OCO2 ZINC000057797073 570703966 /nfs/dbraw/zinc/70/39/66/570703966.db2.gz NTOKPWYFVDXWEP-UHFFFAOYSA-N 1 2 376.456 4.411 40 0 GIABLO CCOc1cc2c(cc1C[N@@H+](Cc1ccccc1)Cc1ccncc1)OCO2 ZINC000057797073 570703968 /nfs/dbraw/zinc/70/39/68/570703968.db2.gz NTOKPWYFVDXWEP-UHFFFAOYSA-N 1 2 376.456 4.411 40 0 GIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 ZINC000007387557 570758511 /nfs/dbraw/zinc/75/85/11/570758511.db2.gz GZEGNIUYEIXOLM-UHFFFAOYSA-N 1 2 391.397 4.076 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)cc2n1 ZINC000019522347 210256153 /nfs/dbraw/zinc/25/61/53/210256153.db2.gz WKKXPODBWSQTHE-INIZCTEOSA-N 1 2 375.398 4.043 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC000019522347 210256149 /nfs/dbraw/zinc/25/61/49/210256149.db2.gz WKKXPODBWSQTHE-INIZCTEOSA-N 1 2 375.398 4.043 40 0 GIABLO C[C@@H](C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)n1cc[nH+]c1 ZINC000019080728 210226154 /nfs/dbraw/zinc/22/61/54/210226154.db2.gz DQXBLXCPGQJBOA-NSHDSACASA-N 1 2 380.395 4.149 40 0 GIABLO c1csc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306126516 212045227 /nfs/dbraw/zinc/04/52/27/212045227.db2.gz DYCNOFQIGPXIER-FQEVSTJZSA-N 1 2 376.485 4.031 40 0 GIABLO c1csc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306126516 212045231 /nfs/dbraw/zinc/04/52/31/212045231.db2.gz DYCNOFQIGPXIER-FQEVSTJZSA-N 1 2 376.485 4.031 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)c(C)n1 ZINC000257284275 212015817 /nfs/dbraw/zinc/01/58/17/212015817.db2.gz PBZXWYWGANOVQZ-XMMPIXPASA-N 1 2 390.531 4.079 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)c(C)n1 ZINC000257284275 212015824 /nfs/dbraw/zinc/01/58/24/212015824.db2.gz PBZXWYWGANOVQZ-XMMPIXPASA-N 1 2 390.531 4.079 40 0 GIABLO C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329067277 209159089 /nfs/dbraw/zinc/15/90/89/209159089.db2.gz YHGXDUQIUQGHAN-CYBMUJFWSA-N 1 2 388.393 4.121 40 0 GIABLO CC(C)(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257231532 212006930 /nfs/dbraw/zinc/00/69/30/212006930.db2.gz GHDWYRIXIHZUDV-IBGZPJMESA-N 1 2 377.916 4.104 40 0 GIABLO CC(C)(C)C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257231532 212006936 /nfs/dbraw/zinc/00/69/36/212006936.db2.gz GHDWYRIXIHZUDV-IBGZPJMESA-N 1 2 377.916 4.104 40 0 GIABLO FC(F)(F)Oc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000329021259 209157252 /nfs/dbraw/zinc/15/72/52/209157252.db2.gz OFKIJZOVXYKHLA-UHFFFAOYSA-N 1 2 386.377 4.204 40 0 GIABLO Clc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329023071 209156952 /nfs/dbraw/zinc/15/69/52/209156952.db2.gz OSBYLFKNDOBYTF-UHFFFAOYSA-N 1 2 393.922 4.393 40 0 GIABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328992607 209156334 /nfs/dbraw/zinc/15/63/34/209156334.db2.gz IXQFIWGXNWUQIP-LJQANCHMSA-N 1 2 394.544 4.460 40 0 GIABLO Fc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328995181 209156210 /nfs/dbraw/zinc/15/62/10/209156210.db2.gz JHBBNGKSIIUJBU-UHFFFAOYSA-N 1 2 376.479 4.483 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329003413 209155331 /nfs/dbraw/zinc/15/53/31/209155331.db2.gz KMRXBTHEJNOPDV-IBGZPJMESA-N 1 2 398.894 4.097 40 0 GIABLO CC[C@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328966932 209153908 /nfs/dbraw/zinc/15/39/08/209153908.db2.gz CPBSYEUQWJUMJL-JTQLQIEISA-N 1 2 379.277 4.053 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@H+]3[C@H]1[C@H]1Nc3ccccc3S1)S2 ZINC000073351362 211126159 /nfs/dbraw/zinc/12/61/59/211126159.db2.gz SKSITQFSDMBHNB-MFKWGIFDSA-N 1 2 383.542 4.264 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@@H+]3[C@H]1[C@H]1Nc3ccccc3S1)S2 ZINC000073351362 211126163 /nfs/dbraw/zinc/12/61/63/211126163.db2.gz SKSITQFSDMBHNB-MFKWGIFDSA-N 1 2 383.542 4.264 40 0 GIABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000072365988 211103364 /nfs/dbraw/zinc/10/33/64/211103364.db2.gz RGUOIWKTMWZTAM-UHFFFAOYSA-N 1 2 376.435 4.442 40 0 GIABLO CC(=O)Nc1ccc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072351945 211096771 /nfs/dbraw/zinc/09/67/71/211096771.db2.gz ILXBHHGCRANQLZ-UHFFFAOYSA-N 1 2 380.423 4.074 40 0 GIABLO CC(=O)Nc1ccc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072351945 211096777 /nfs/dbraw/zinc/09/67/77/211096777.db2.gz ILXBHHGCRANQLZ-UHFFFAOYSA-N 1 2 380.423 4.074 40 0 GIABLO COCc1ccc(OC)c(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019594359 210274651 /nfs/dbraw/zinc/27/46/51/210274651.db2.gz AYYKAKLXNBBWPC-UHFFFAOYSA-N 1 2 397.450 4.271 40 0 GIABLO COCc1ccc(OC)c(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019594359 210274657 /nfs/dbraw/zinc/27/46/57/210274657.db2.gz AYYKAKLXNBBWPC-UHFFFAOYSA-N 1 2 397.450 4.271 40 0 GIABLO Cc1cc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1Cl ZINC000069593455 136165198 /nfs/dbraw/zinc/16/51/98/136165198.db2.gz ZDWPCJIRGRFCRM-UHFFFAOYSA-N 1 2 378.303 4.063 40 0 GIABLO COc1cc2c(cc1OC)CN(c1cc(Nc3ccccc3)nc(C)[nH+]1)CC2 ZINC000244537531 136192509 /nfs/dbraw/zinc/19/25/09/136192509.db2.gz ZWRQJSIQFACEPW-UHFFFAOYSA-N 1 2 376.460 4.109 40 0 GIABLO CC[C@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000219865674 136204403 /nfs/dbraw/zinc/20/44/03/136204403.db2.gz MYAZIKNHMBUPKD-NRFANRHFSA-N 1 2 396.531 4.496 40 0 GIABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289012 560033467 /nfs/dbraw/zinc/03/34/67/560033467.db2.gz MBJFXMFFESAWGJ-ROUUACIJSA-N 1 2 395.478 4.166 40 0 biogenic,in-vitro GIABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289012 560033468 /nfs/dbraw/zinc/03/34/68/560033468.db2.gz MBJFXMFFESAWGJ-ROUUACIJSA-N 1 2 395.478 4.166 40 0 biogenic,in-vitro GIABLO CCNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328984911 570210711 /nfs/dbraw/zinc/21/07/11/570210711.db2.gz HQMNTKZLCRKRDB-UHFFFAOYSA-N 1 2 388.393 4.190 40 0 GIABLO CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cn(C)c[nH+]3)cs2)cc1 ZINC000585294895 570274670 /nfs/dbraw/zinc/27/46/70/570274670.db2.gz LFGJFIAJLJCOBL-LJQANCHMSA-N 1 2 395.532 4.028 40 0 GIABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212935 570314263 /nfs/dbraw/zinc/31/42/63/570314263.db2.gz PTWCOXIZRVEFJG-HXUWFJFHSA-N 1 2 387.549 4.152 40 0 GIABLO CCC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669571 570367028 /nfs/dbraw/zinc/36/70/28/570367028.db2.gz IBTLVBIOBGJORW-HXUWFJFHSA-N 1 2 382.556 4.068 40 0 GIABLO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000134267286 570469711 /nfs/dbraw/zinc/46/97/11/570469711.db2.gz QCITZJPXJNLINK-UHFFFAOYSA-N 1 2 395.875 4.356 40 0 GIABLO CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000030754064 570494776 /nfs/dbraw/zinc/49/47/76/570494776.db2.gz DKDQEYMTEDQMAW-FNNXTJRKSA-N 1 2 398.934 4.355 40 0 GIABLO O=C(NCCSCc1ccccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038837480 570586996 /nfs/dbraw/zinc/58/69/96/570586996.db2.gz QBQCVBJZFRZYAL-UHFFFAOYSA-N 1 2 385.920 4.248 40 0 GIABLO COc1ccccc1C[N@@H+](Cc1coc2ccc(C)cc2c1=O)C[C@H]1CCCO1 ZINC000012187555 570621362 /nfs/dbraw/zinc/62/13/62/570621362.db2.gz WEINLTULGGUSGH-HXUWFJFHSA-N 1 2 393.483 4.291 40 0 GIABLO COc1ccccc1C[N@H+](Cc1coc2ccc(C)cc2c1=O)C[C@H]1CCCO1 ZINC000012187555 570621363 /nfs/dbraw/zinc/62/13/63/570621363.db2.gz WEINLTULGGUSGH-HXUWFJFHSA-N 1 2 393.483 4.291 40 0 GIABLO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044855431 570636743 /nfs/dbraw/zinc/63/67/43/570636743.db2.gz VVVVAEXGJJRHGC-FQEVSTJZSA-N 1 2 375.472 4.272 40 0 GIABLO CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1OCC ZINC000044905666 570641587 /nfs/dbraw/zinc/64/15/87/570641587.db2.gz SGXZDNLRONUBDB-KRWDZBQOSA-N 1 2 393.487 4.220 40 0 GIABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)NCc4ccccc4)C3)[nH+]c2cc1C ZINC000004967248 570654177 /nfs/dbraw/zinc/65/41/77/570654177.db2.gz PQUIJMQFUVOZAY-SFHVURJKSA-N 1 2 378.545 4.434 40 0 GIABLO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000649582072 570949046 /nfs/dbraw/zinc/94/90/46/570949046.db2.gz WTFNZBPPEUVBNS-QFIPXVFZSA-N 1 2 389.478 4.239 40 0 GIABLO O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000019338198 210241755 /nfs/dbraw/zinc/24/17/55/210241755.db2.gz FNJHWJIQQWJRMX-FQEVSTJZSA-N 1 2 392.846 4.092 40 0 GIABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1F)[N@H+](Cc1cnc(C)nc1)CC2 ZINC000019287255 210236996 /nfs/dbraw/zinc/23/69/96/210236996.db2.gz VMWSNAHCZIOXOE-HSZRJFAPSA-N 1 2 393.462 4.089 40 0 GIABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1F)[N@@H+](Cc1cnc(C)nc1)CC2 ZINC000019287255 210237003 /nfs/dbraw/zinc/23/70/03/210237003.db2.gz VMWSNAHCZIOXOE-HSZRJFAPSA-N 1 2 393.462 4.089 40 0 GIABLO COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)n2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286641 210237075 /nfs/dbraw/zinc/23/70/75/210237075.db2.gz PMJUEGVCEFEMJS-FOIQADDNSA-N 1 2 393.487 4.287 40 0 GIABLO CC(C)(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257342400 212028365 /nfs/dbraw/zinc/02/83/65/212028365.db2.gz ZOJZSWQVNSXKEM-KRWDZBQOSA-N 1 2 381.524 4.046 40 0 GIABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257296498 212020491 /nfs/dbraw/zinc/02/04/91/212020491.db2.gz RDCXFWPQTCHOCX-IBGZPJMESA-N 1 2 381.455 4.318 40 0 GIABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2ncccc2F)n1 ZINC000257296498 212020495 /nfs/dbraw/zinc/02/04/95/212020495.db2.gz RDCXFWPQTCHOCX-IBGZPJMESA-N 1 2 381.455 4.318 40 0 GIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)s1 ZINC000257267180 212014314 /nfs/dbraw/zinc/01/43/14/212014314.db2.gz MGFXCMUAJMUYIC-NRFANRHFSA-N 1 2 383.492 4.150 40 0 GIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)s1 ZINC000257267180 212014317 /nfs/dbraw/zinc/01/43/17/212014317.db2.gz MGFXCMUAJMUYIC-NRFANRHFSA-N 1 2 383.492 4.150 40 0 GIABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2sccn12 ZINC000257257712 212013031 /nfs/dbraw/zinc/01/30/31/212013031.db2.gz KQUSMEKLJKEIGL-UHFFFAOYSA-N 1 2 375.444 4.176 40 0 GIABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)C[N@H+](Cc1ccncc1)CCO2 ZINC000257242520 212009004 /nfs/dbraw/zinc/00/90/04/212009004.db2.gz ICXQLZGAHPVJTC-VABKMULXSA-N 1 2 384.495 4.226 40 0 GIABLO CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)C[N@@H+](Cc1ccncc1)CCO2 ZINC000257242520 212009006 /nfs/dbraw/zinc/00/90/06/212009006.db2.gz ICXQLZGAHPVJTC-VABKMULXSA-N 1 2 384.495 4.226 40 0 GIABLO CNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329057817 209159392 /nfs/dbraw/zinc/15/93/92/209159392.db2.gz WAAXJDGOZHKOAO-UHFFFAOYSA-N 1 2 378.329 4.389 40 0 GIABLO CC(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257230947 212007684 /nfs/dbraw/zinc/00/76/84/212007684.db2.gz GEOXTQKZELSMSW-IBGZPJMESA-N 1 2 397.441 4.079 40 0 GIABLO CC(C)C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257230947 212007688 /nfs/dbraw/zinc/00/76/88/212007688.db2.gz GEOXTQKZELSMSW-IBGZPJMESA-N 1 2 397.441 4.079 40 0 GIABLO CC(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257230948 212007035 /nfs/dbraw/zinc/00/70/35/212007035.db2.gz GEOXTQKZELSMSW-LJQANCHMSA-N 1 2 397.441 4.079 40 0 GIABLO CC(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257230948 212007039 /nfs/dbraw/zinc/00/70/39/212007039.db2.gz GEOXTQKZELSMSW-LJQANCHMSA-N 1 2 397.441 4.079 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257209776 212003858 /nfs/dbraw/zinc/00/38/58/212003858.db2.gz BRVZUCGQTJLHGP-HSZRJFAPSA-N 1 2 393.462 4.173 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257209776 212003859 /nfs/dbraw/zinc/00/38/59/212003859.db2.gz BRVZUCGQTJLHGP-HSZRJFAPSA-N 1 2 393.462 4.173 40 0 GIABLO Clc1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257202683 212002497 /nfs/dbraw/zinc/00/24/97/212002497.db2.gz AMWHSMHXWTYGBS-JOCHJYFZSA-N 1 2 379.891 4.294 40 0 GIABLO Clc1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257202683 212002499 /nfs/dbraw/zinc/00/24/99/212002499.db2.gz AMWHSMHXWTYGBS-JOCHJYFZSA-N 1 2 379.891 4.294 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328999223 209155322 /nfs/dbraw/zinc/15/53/22/209155322.db2.gz JUYYNHWKUGRJMJ-IBGZPJMESA-N 1 2 382.895 4.391 40 0 GIABLO Fc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000328972619 209154769 /nfs/dbraw/zinc/15/47/69/209154769.db2.gz DVYASOYHBWDQIL-UHFFFAOYSA-N 1 2 395.457 4.017 40 0 GIABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328966933 209154559 /nfs/dbraw/zinc/15/45/59/209154559.db2.gz CPBSYEUQWJUMJL-SNVBAGLBSA-N 1 2 379.277 4.053 40 0 GIABLO CCNc1nc(Nc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328972184 209153760 /nfs/dbraw/zinc/15/37/60/209153760.db2.gz DVAFBLZEWLOBDG-UHFFFAOYSA-N 1 2 388.393 4.370 40 0 GIABLO Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C(C)C)n1 ZINC000072379041 211107327 /nfs/dbraw/zinc/10/73/27/211107327.db2.gz CSANSDSDTMOQBR-INIZCTEOSA-N 1 2 381.505 4.133 40 0 GIABLO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)n1 ZINC000072376205 211105623 /nfs/dbraw/zinc/10/56/23/211105623.db2.gz OEUQSLYIQAJHEN-IBGZPJMESA-N 1 2 378.455 4.103 40 0 GIABLO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)n1 ZINC000072376205 211105630 /nfs/dbraw/zinc/10/56/30/211105630.db2.gz OEUQSLYIQAJHEN-IBGZPJMESA-N 1 2 378.455 4.103 40 0 GIABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1 ZINC000072353005 211096963 /nfs/dbraw/zinc/09/69/63/211096963.db2.gz YVKHUDVAVOFRPR-HXUWFJFHSA-N 1 2 391.450 4.135 40 0 GIABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc(F)cc1 ZINC000072353005 211096965 /nfs/dbraw/zinc/09/69/65/211096965.db2.gz YVKHUDVAVOFRPR-HXUWFJFHSA-N 1 2 391.450 4.135 40 0 GIABLO COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020104698 210316838 /nfs/dbraw/zinc/31/68/38/210316838.db2.gz GSDKWULOSOXHMG-QHCPKHFHSA-N 1 2 396.531 4.045 40 0 GIABLO COc1ccc2cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c(C)nc2c1 ZINC000019715215 210286538 /nfs/dbraw/zinc/28/65/38/210286538.db2.gz PYRQKYZCHWJVNC-UHFFFAOYSA-N 1 2 388.471 4.017 40 0 GIABLO COc1ccc2oc(C)c(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)c2c1 ZINC000019581588 210270555 /nfs/dbraw/zinc/27/05/55/210270555.db2.gz SXNDNJCGNOXAKP-FQEVSTJZSA-N 1 2 393.418 4.142 40 0 GIABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000012120685 221154684 /nfs/dbraw/zinc/15/46/84/221154684.db2.gz JRANTNZZTBHOML-UHFFFAOYSA-N 1 2 394.478 4.057 40 0 GIABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000012120685 221154687 /nfs/dbraw/zinc/15/46/87/221154687.db2.gz JRANTNZZTBHOML-UHFFFAOYSA-N 1 2 394.478 4.057 40 0 GIABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3ccccc3F)CC2)cc1 ZINC000219861373 136204397 /nfs/dbraw/zinc/20/43/97/136204397.db2.gz GZUSCNAGFYEIEX-UHFFFAOYSA-N 1 2 386.536 4.400 40 0 GIABLO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219855285 136204458 /nfs/dbraw/zinc/20/44/58/136204458.db2.gz VACBIMGRKIXDNB-SFHVURJKSA-N 1 2 393.531 4.378 40 0 GIABLO O=C([O-])C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289403 560032763 /nfs/dbraw/zinc/03/27/63/560032763.db2.gz SDMLVKGQYLNAFP-IRXDYDNUSA-N 1 2 387.499 4.238 40 0 biogenic,in-vitro GIABLO O=C([O-])C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289403 560032764 /nfs/dbraw/zinc/03/27/64/560032764.db2.gz SDMLVKGQYLNAFP-IRXDYDNUSA-N 1 2 387.499 4.238 40 0 biogenic,in-vitro GIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc3ccccc3n2)Oc2ccccc2N1CC1CC1 ZINC000096111799 560061094 /nfs/dbraw/zinc/06/10/94/560061094.db2.gz FAGAIQLZSGSZSN-REWPJTCUSA-N 1 2 399.494 4.013 40 0 biogenic,in-vitro GIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc3ccccc3n2)Oc2ccccc2N1CC1CC1 ZINC000096111799 560061096 /nfs/dbraw/zinc/06/10/96/560061096.db2.gz FAGAIQLZSGSZSN-REWPJTCUSA-N 1 2 399.494 4.013 40 0 biogenic,in-vitro GIABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765732 570217251 /nfs/dbraw/zinc/21/72/51/570217251.db2.gz GQGVXAILSFKCEO-NRFANRHFSA-N 1 2 396.510 4.277 40 0 GIABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 ZINC000019765732 570217256 /nfs/dbraw/zinc/21/72/56/570217256.db2.gz GQGVXAILSFKCEO-NRFANRHFSA-N 1 2 396.510 4.277 40 0 GIABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(C)cc(C)cc4cc3C2)cc1OC ZINC000057718956 570371273 /nfs/dbraw/zinc/37/12/73/570371273.db2.gz KHVRHHGZFQNBOF-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc(CC[N@H+]2CCOc3nc4c(C)cc(C)cc4cc3C2)cc1OC ZINC000057718956 570371276 /nfs/dbraw/zinc/37/12/76/570371276.db2.gz KHVRHHGZFQNBOF-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000031430149 570504406 /nfs/dbraw/zinc/50/44/06/570504406.db2.gz CWGZLDXNHSPGLY-ILFDSTAHSA-N 1 2 397.471 4.015 40 0 GIABLO O=C(CSCc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224901579 570537341 /nfs/dbraw/zinc/53/73/41/570537341.db2.gz LCHNUQVMIWXNNG-UHFFFAOYSA-N 1 2 392.927 4.057 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000012116401 570610902 /nfs/dbraw/zinc/61/09/02/570610902.db2.gz FVLXGMISIRXHDM-HNNXBMFYSA-N 1 2 382.533 4.212 40 0 GIABLO Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000004966650 570654103 /nfs/dbraw/zinc/65/41/03/570654103.db2.gz SHYHQPLEWJDOAC-UHFFFAOYSA-N 1 2 384.907 4.490 40 0 GIABLO C[N@H+](CC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1)Cc1ccccn1 ZINC000019717594 571039913 /nfs/dbraw/zinc/03/99/13/571039913.db2.gz CUFYQXHAJXSMAJ-UHFFFAOYSA-N 1 2 377.492 4.007 40 0 GIABLO C[N@@H+](CC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1)Cc1ccccn1 ZINC000019717594 571039915 /nfs/dbraw/zinc/03/99/15/571039915.db2.gz CUFYQXHAJXSMAJ-UHFFFAOYSA-N 1 2 377.492 4.007 40 0 GIABLO CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)[nH+]c(C(C)C)n4C)no2)c1C ZINC000019524057 210255959 /nfs/dbraw/zinc/25/59/59/210255959.db2.gz LYLQREKJSQYIOW-UHFFFAOYSA-N 1 2 392.463 4.129 40 0 GIABLO Fc1cccc(C[N@@H+](Cc2cncn2Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000019372916 210245621 /nfs/dbraw/zinc/24/56/21/210245621.db2.gz BTHZDYBOZDINKK-HSZRJFAPSA-N 1 2 379.479 4.252 40 0 GIABLO Fc1cccc(C[N@H+](Cc2cncn2Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000019372916 210245623 /nfs/dbraw/zinc/24/56/23/210245623.db2.gz BTHZDYBOZDINKK-HSZRJFAPSA-N 1 2 379.479 4.252 40 0 GIABLO COc1ccc([C@H]2CCCN2C(=O)[C@H](C)n2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286644 210238306 /nfs/dbraw/zinc/23/83/06/210238306.db2.gz PMJUEGVCEFEMJS-MGPUTAFESA-N 1 2 393.487 4.287 40 0 GIABLO COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)n2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286643 210238062 /nfs/dbraw/zinc/23/80/62/210238062.db2.gz PMJUEGVCEFEMJS-YWZLYKJASA-N 1 2 393.487 4.287 40 0 GIABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019240076 210236424 /nfs/dbraw/zinc/23/64/24/210236424.db2.gz CITQUIULVIXKOI-HNNXBMFYSA-N 1 2 388.514 4.324 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257209777 212002966 /nfs/dbraw/zinc/00/29/66/212002966.db2.gz BRVZUCGQTJLHGP-QHCPKHFHSA-N 1 2 393.462 4.173 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1 ZINC000257209777 212002970 /nfs/dbraw/zinc/00/29/70/212002970.db2.gz BRVZUCGQTJLHGP-QHCPKHFHSA-N 1 2 393.462 4.173 40 0 GIABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2nccc3ccccc32)[nH+]1 ZINC000257200193 212002436 /nfs/dbraw/zinc/00/24/36/212002436.db2.gz ACJAUOVDBWOSRM-FQEVSTJZSA-N 1 2 388.515 4.323 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329003414 209156730 /nfs/dbraw/zinc/15/67/30/209156730.db2.gz KMRXBTHEJNOPDV-LJQANCHMSA-N 1 2 398.894 4.097 40 0 GIABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329007731 209156672 /nfs/dbraw/zinc/15/66/72/209156672.db2.gz LNODMLNKCTWCBX-HXUWFJFHSA-N 1 2 380.467 4.185 40 0 GIABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328998556 209155877 /nfs/dbraw/zinc/15/58/77/209155877.db2.gz JSSOFGZZJLLARX-QGZVFWFLSA-N 1 2 394.441 4.276 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328976845 209154095 /nfs/dbraw/zinc/15/40/95/209154095.db2.gz FQJIYXIHUXENLE-MRXNPFEDSA-N 1 2 378.423 4.128 40 0 GIABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378894 211104719 /nfs/dbraw/zinc/10/47/19/211104719.db2.gz VIFSFAWIKALYMJ-OAQYLSRUSA-N 1 2 399.498 4.217 40 0 GIABLO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020482435 210339221 /nfs/dbraw/zinc/33/92/21/210339221.db2.gz GMDWPLWMKLZNHT-JOCHJYFZSA-N 1 2 385.467 4.499 40 0 GIABLO Cc1cc2[nH+]cn(CCC(=O)N(C)Cc3ccc4c(c3)C[C@@H](C)O4)c2cc1C ZINC000019661138 210280272 /nfs/dbraw/zinc/28/02/72/210280272.db2.gz SMWXLNVZHCOFIV-QGZVFWFLSA-N 1 2 377.488 4.025 40 0 GIABLO CC(=O)N[C@@H](CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)c1ccc(F)cc1 ZINC000019656300 210278378 /nfs/dbraw/zinc/27/83/78/210278378.db2.gz SGOKXPHBKMOMEX-SFHVURJKSA-N 1 2 396.466 4.206 40 0 GIABLO COc1ccc2oc(C)c(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)c2c1 ZINC000019581590 210269442 /nfs/dbraw/zinc/26/94/42/210269442.db2.gz SXNDNJCGNOXAKP-HXUWFJFHSA-N 1 2 393.418 4.142 40 0 GIABLO Fc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329018854 570213108 /nfs/dbraw/zinc/21/31/08/570213108.db2.gz NSZUGGBOCIRWKF-UHFFFAOYSA-N 1 2 391.288 4.198 40 0 GIABLO CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329052601 570215324 /nfs/dbraw/zinc/21/53/24/570215324.db2.gz VCTCLSOLAQWKQO-UHFFFAOYSA-N 1 2 387.256 4.064 40 0 GIABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)ncc1C(=O)Nc1ccccc1 ZINC000019766274 570217810 /nfs/dbraw/zinc/21/78/10/570217810.db2.gz ZZFOIBNOCPOQBM-NRFANRHFSA-N 1 2 387.487 4.160 40 0 GIABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cccnc2)ncc1C(=O)Nc1ccccc1 ZINC000019766274 570217815 /nfs/dbraw/zinc/21/78/15/570217815.db2.gz ZZFOIBNOCPOQBM-NRFANRHFSA-N 1 2 387.487 4.160 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NC3CCC3)[nH+]c2)cc1 ZINC000072213877 570314201 /nfs/dbraw/zinc/31/42/01/570314201.db2.gz LTQCEYGBCADHQF-FQEVSTJZSA-N 1 2 385.533 4.270 40 0 GIABLO Cn1cnc2cc(C[N@@H+]3CCc4onc(Nc5cccc(F)c5)c4C3)ccc21 ZINC000072352760 570339501 /nfs/dbraw/zinc/33/95/01/570339501.db2.gz OZISWVRVBKXBQI-UHFFFAOYSA-N 1 2 377.423 4.002 40 0 GIABLO Cn1cnc2cc(C[N@H+]3CCc4onc(Nc5cccc(F)c5)c4C3)ccc21 ZINC000072352760 570339503 /nfs/dbraw/zinc/33/95/03/570339503.db2.gz OZISWVRVBKXBQI-UHFFFAOYSA-N 1 2 377.423 4.002 40 0 GIABLO O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000408576452 570342618 /nfs/dbraw/zinc/34/26/18/570342618.db2.gz YAIMQESPEHXIBN-ACCUITESSA-N 1 2 388.467 4.431 40 0 GIABLO CC(C)Cn1c2ccccc2[nH+]c1N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000001370980 570574873 /nfs/dbraw/zinc/57/48/73/570574873.db2.gz QBHTUAJZNQZEGR-OUKQBFOZSA-N 1 2 388.515 4.054 40 0 GIABLO O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038848505 570586873 /nfs/dbraw/zinc/58/68/73/570586873.db2.gz XCNBNPSLBVQDMC-UHFFFAOYSA-N 1 2 385.920 4.248 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000012116386 570611090 /nfs/dbraw/zinc/61/10/90/570611090.db2.gz PQLZSRNLZLSMLW-UHFFFAOYSA-N 1 2 384.430 4.190 40 0 GIABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225743864 570612600 /nfs/dbraw/zinc/61/26/00/570612600.db2.gz ZFVPGMWWGKFLIO-SFHVURJKSA-N 1 2 377.488 4.388 40 0 GIABLO CCCOc1ccccc1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044851647 570636183 /nfs/dbraw/zinc/63/61/83/570636183.db2.gz TVRLYDODCXTFIG-UHFFFAOYSA-N 1 2 377.488 4.083 40 0 GIABLO Cc1cc(C)n(CCCC(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)n1 ZINC000019573992 210267863 /nfs/dbraw/zinc/26/78/63/210267863.db2.gz VNUNUJIUUHZQBP-UHFFFAOYSA-N 1 2 399.564 4.012 40 0 GIABLO CCn1cc(C[C@H](C)NC(=O)c2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000019524801 210255691 /nfs/dbraw/zinc/25/56/91/210255691.db2.gz NDTOXOILYCKLEQ-SFHVURJKSA-N 1 2 386.499 4.267 40 0 GIABLO Cc1ccsc1CN(CCC[NH+]1CCOCC1)Cc1cccc(F)c1F ZINC000019238581 210236356 /nfs/dbraw/zinc/23/63/56/210236356.db2.gz LPORQEYGYPXPJM-UHFFFAOYSA-N 1 2 380.504 4.059 40 0 GIABLO O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CNc1cccc[nH+]1 ZINC000019118599 210225287 /nfs/dbraw/zinc/22/52/87/210225287.db2.gz ICJKHJHLWHIDIG-NTUHNPAUSA-N 1 2 380.256 4.494 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306141340 212055918 /nfs/dbraw/zinc/05/59/18/212055918.db2.gz VSQWMVTZFPJMOA-HKUYNNGSSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306141340 212055922 /nfs/dbraw/zinc/05/59/22/212055922.db2.gz VSQWMVTZFPJMOA-HKUYNNGSSA-N 1 2 387.551 4.232 40 0 GIABLO COc1ncccc1C[N@@H+]1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144026 212055437 /nfs/dbraw/zinc/05/54/37/212055437.db2.gz YTSHXRXJMZZCSC-HXUWFJFHSA-N 1 2 385.471 4.137 40 0 GIABLO COc1ncccc1C[N@H+]1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144026 212055440 /nfs/dbraw/zinc/05/54/40/212055440.db2.gz YTSHXRXJMZZCSC-HXUWFJFHSA-N 1 2 385.471 4.137 40 0 GIABLO Clc1ccccc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257297592 212019371 /nfs/dbraw/zinc/01/93/71/212019371.db2.gz RHZAYTTWAYKQGJ-QFIPXVFZSA-N 1 2 397.906 4.258 40 0 GIABLO Clc1ccccc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257297592 212019374 /nfs/dbraw/zinc/01/93/74/212019374.db2.gz RHZAYTTWAYKQGJ-QFIPXVFZSA-N 1 2 397.906 4.258 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000257273385 212015071 /nfs/dbraw/zinc/01/50/71/212015071.db2.gz NGIZJQXJSJDGBE-DEOSSOPVSA-N 1 2 390.531 4.079 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1 ZINC000257273385 212015075 /nfs/dbraw/zinc/01/50/75/212015075.db2.gz NGIZJQXJSJDGBE-DEOSSOPVSA-N 1 2 390.531 4.079 40 0 GIABLO Cc1ncsc1C[N@@H+]1CCO[C@]2(CO[C@@H](c3ccccc3)[C@H](C(C)C)C2)C1 ZINC000257219731 212005628 /nfs/dbraw/zinc/00/56/28/212005628.db2.gz DHXIKAVUHGCQPK-BVSLBCMMSA-N 1 2 386.561 4.456 40 0 GIABLO Cc1ncsc1C[N@H+]1CCO[C@]2(CO[C@@H](c3ccccc3)[C@H](C(C)C)C2)C1 ZINC000257219731 212005631 /nfs/dbraw/zinc/00/56/31/212005631.db2.gz DHXIKAVUHGCQPK-BVSLBCMMSA-N 1 2 386.561 4.456 40 0 GIABLO Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257216107 212005414 /nfs/dbraw/zinc/00/54/14/212005414.db2.gz CTCWFPDDUPFYBX-LJQANCHMSA-N 1 2 389.499 4.240 40 0 GIABLO Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257216107 212005417 /nfs/dbraw/zinc/00/54/17/212005417.db2.gz CTCWFPDDUPFYBX-LJQANCHMSA-N 1 2 389.499 4.240 40 0 GIABLO O=C(NC1CCCC1)N1CCC2(CCn3c(-c4cccc(F)c4)c[nH+]c32)CC1 ZINC000096243538 211325143 /nfs/dbraw/zinc/32/51/43/211325143.db2.gz KLJZNBTVFNGPJZ-UHFFFAOYSA-N 1 2 382.483 4.079 40 0 GIABLO CCCCN(CC)C(=O)[C@H]1c2c(ncn2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000096037527 211296105 /nfs/dbraw/zinc/29/61/05/211296105.db2.gz WFZTVSDHTJHCQR-JOCHJYFZSA-N 1 2 382.552 4.212 40 0 GIABLO CCCCN(CC)C(=O)[C@H]1c2c(ncn2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000096037527 211296110 /nfs/dbraw/zinc/29/61/10/211296110.db2.gz WFZTVSDHTJHCQR-JOCHJYFZSA-N 1 2 382.552 4.212 40 0 GIABLO CCCCN(CC)C(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037527 211296113 /nfs/dbraw/zinc/29/61/13/211296113.db2.gz WFZTVSDHTJHCQR-JOCHJYFZSA-N 1 2 382.552 4.212 40 0 GIABLO c1ccc(-c2cnc3c(c2)[C@@H]([NH2+]C2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396308 211109846 /nfs/dbraw/zinc/10/98/46/211109846.db2.gz CJGUOVOAPNKZNW-FQEVSTJZSA-N 1 2 398.495 4.166 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378530 211106613 /nfs/dbraw/zinc/10/66/13/211106613.db2.gz BWGCKHSBPYAQNI-HXUWFJFHSA-N 1 2 389.503 4.082 40 0 GIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348882 211095481 /nfs/dbraw/zinc/09/54/81/211095481.db2.gz MNBWHEBCKMHELQ-HNNXBMFYSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348882 211095483 /nfs/dbraw/zinc/09/54/83/211095483.db2.gz MNBWHEBCKMHELQ-HNNXBMFYSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348881 211095359 /nfs/dbraw/zinc/09/53/59/211095359.db2.gz MNBWHEBCKMHELQ-OAHLLOKOSA-N 1 2 396.491 4.162 40 0 GIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348881 211095363 /nfs/dbraw/zinc/09/53/63/211095363.db2.gz MNBWHEBCKMHELQ-OAHLLOKOSA-N 1 2 396.491 4.162 40 0 GIABLO COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020104696 210316646 /nfs/dbraw/zinc/31/66/46/210316646.db2.gz GSDKWULOSOXHMG-HSZRJFAPSA-N 1 2 396.531 4.045 40 0 GIABLO Cc1[nH+]c2cc(NC(=O)Cc3nnc(C(C)C)[nH]3)ccc2n1C1CCCCC1 ZINC000019666290 210280184 /nfs/dbraw/zinc/28/01/84/210280184.db2.gz MVRNOBACSCNMLW-UHFFFAOYSA-N 1 2 380.496 4.273 40 0 GIABLO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c(C)c1 ZINC000219862154 136204394 /nfs/dbraw/zinc/20/43/94/136204394.db2.gz ATBVMKUYVTWXAN-UHFFFAOYSA-N 1 2 380.488 4.335 40 0 GIABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289434 560032426 /nfs/dbraw/zinc/03/24/26/560032426.db2.gz UELBQRDBLAFPTB-OALUTQOASA-N 1 2 383.536 4.407 40 0 biogenic,in-vitro GIABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](CC4CCCCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289434 560032429 /nfs/dbraw/zinc/03/24/29/560032429.db2.gz UELBQRDBLAFPTB-OALUTQOASA-N 1 2 383.536 4.407 40 0 biogenic,in-vitro GIABLO CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320878 560077766 /nfs/dbraw/zinc/07/77/66/560077766.db2.gz QSRROSQHAWINLO-UFYCRDLUSA-N 1 2 379.548 4.497 40 0 biogenic,in-vitro GIABLO Cc1ccc2[nH+]cc(-c3cccc([C@H]4CCCN(C(=O)C(C)(C)C)C4)n3)n2c1 ZINC000585262758 570230865 /nfs/dbraw/zinc/23/08/65/570230865.db2.gz CMWHAQJWTVPDBS-KRWDZBQOSA-N 1 2 376.504 4.457 40 0 GIABLO CCN(CC)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212875 570313704 /nfs/dbraw/zinc/31/37/04/570313704.db2.gz ATNODAIIDUQHDD-HXUWFJFHSA-N 1 2 387.549 4.152 40 0 GIABLO CCCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669734 570367129 /nfs/dbraw/zinc/36/71/29/570367129.db2.gz MCTOHFHZXFENAJ-FQEVSTJZSA-N 1 2 384.572 4.098 40 0 GIABLO Brc1ccc(-c2nnc([C@H](c3ccccc3)n3cc[nH+]c3)o2)cc1 ZINC000005323841 570434017 /nfs/dbraw/zinc/43/40/17/570434017.db2.gz DYUYXRYCKKFVFB-INIZCTEOSA-N 1 2 381.233 4.333 40 0 GIABLO Nc1cc(C(Br)(Br)Br)[nH+]c2ccccc12 ZINC000031673137 570505232 /nfs/dbraw/zinc/50/52/32/570505232.db2.gz UYPIRZASBSYUCS-UHFFFAOYSA-N 1 2 394.892 4.112 40 0 GIABLO CCOc1ccc(C(=O)NCCC[N@H+](CC)c2ccc(C)cc2)cc1OCC ZINC000225067183 570546556 /nfs/dbraw/zinc/54/65/56/570546556.db2.gz BWXPPJPOUUOOEK-UHFFFAOYSA-N 1 2 384.520 4.439 40 0 GIABLO CCOc1ccc(C(=O)NCCC[N@@H+](CC)c2ccc(C)cc2)cc1OCC ZINC000225067183 570546558 /nfs/dbraw/zinc/54/65/58/570546558.db2.gz BWXPPJPOUUOOEK-UHFFFAOYSA-N 1 2 384.520 4.439 40 0 GIABLO CCCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000001370961 570581127 /nfs/dbraw/zinc/58/11/27/570581127.db2.gz AYKWCJNPCPEPLT-UHFFFAOYSA-N 1 2 397.910 4.454 40 0 GIABLO Fc1ccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCCC4)cc1 ZINC000004902571 570646953 /nfs/dbraw/zinc/64/69/53/570646953.db2.gz SRGTXNGSDYTZDF-UHFFFAOYSA-N 1 2 390.466 4.113 40 0 GIABLO CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000013563877 570852432 /nfs/dbraw/zinc/85/24/32/570852432.db2.gz OSIKTAUNNDFXKF-GOSISDBHSA-N 1 2 378.472 4.425 40 0 GIABLO CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000013563877 570852433 /nfs/dbraw/zinc/85/24/33/570852433.db2.gz OSIKTAUNNDFXKF-GOSISDBHSA-N 1 2 378.472 4.425 40 0 GIABLO Clc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1Cl ZINC000013989986 570868426 /nfs/dbraw/zinc/86/84/26/570868426.db2.gz OWCZDPILCCDXGF-UHFFFAOYSA-N 1 2 394.346 4.113 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329015363 212093132 /nfs/dbraw/zinc/09/31/32/212093132.db2.gz NAMSNMMNNONIQL-INIZCTEOSA-N 1 2 381.307 4.255 40 0 GIABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCCC2)n1 ZINC000328986442 212092290 /nfs/dbraw/zinc/09/22/90/212092290.db2.gz HYOLGDIGHZIBHD-UHFFFAOYSA-N 1 2 394.441 4.451 40 0 GIABLO Brc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328996554 212092380 /nfs/dbraw/zinc/09/23/80/212092380.db2.gz JKEJVDHNIFKPPM-UHFFFAOYSA-N 1 2 387.325 4.449 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329066608 212095032 /nfs/dbraw/zinc/09/50/32/212095032.db2.gz YCEVFOZNWBWEOI-MRXNPFEDSA-N 1 2 381.307 4.255 40 0 GIABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc(OC)c1 ZINC000329061235 212095219 /nfs/dbraw/zinc/09/52/19/212095219.db2.gz WPKSITAESXTCPL-UHFFFAOYSA-N 1 2 390.487 4.103 40 0 GIABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329066314 212094931 /nfs/dbraw/zinc/09/49/31/212094931.db2.gz XZSHLECZMGRBFE-UHFFFAOYSA-N 1 2 387.325 4.367 40 0 GIABLO Fc1cc(F)cc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328974276 212090561 /nfs/dbraw/zinc/09/05/61/212090561.db2.gz FEZSEHFZHZPOCW-UHFFFAOYSA-N 1 2 395.457 4.017 40 0 GIABLO CCCCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C)cc3C)CC2)cc1 ZINC000057720100 136153919 /nfs/dbraw/zinc/15/39/19/136153919.db2.gz QKSYWXSCQFCGMF-UHFFFAOYSA-N 1 2 395.547 4.243 40 0 GIABLO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348878 222235617 /nfs/dbraw/zinc/23/56/17/222235617.db2.gz VSKWASINCUEUDL-SFHVURJKSA-N 1 2 392.528 4.332 40 0 GIABLO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348878 222235619 /nfs/dbraw/zinc/23/56/19/222235619.db2.gz VSKWASINCUEUDL-SFHVURJKSA-N 1 2 392.528 4.332 40 0 GIABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 ZINC000072353151 222238117 /nfs/dbraw/zinc/23/81/17/222238117.db2.gz LTDRHEYADWBWLI-HXUWFJFHSA-N 1 2 394.519 4.277 40 0 GIABLO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000072355978 222239305 /nfs/dbraw/zinc/23/93/05/222239305.db2.gz PBCYRVRCGIXVQB-LJQANCHMSA-N 1 2 395.400 4.213 40 0 GIABLO CC(=O)NCc1cnc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000072355978 222239309 /nfs/dbraw/zinc/23/93/09/222239309.db2.gz PBCYRVRCGIXVQB-LJQANCHMSA-N 1 2 395.400 4.213 40 0 GIABLO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+]3Cc3ccccc3F)n2)n1 ZINC000072376206 222244478 /nfs/dbraw/zinc/24/44/78/222244478.db2.gz OEUQSLYIQAJHEN-LJQANCHMSA-N 1 2 378.455 4.103 40 0 GIABLO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3Cc3ccccc3F)n2)n1 ZINC000072376206 222244484 /nfs/dbraw/zinc/24/44/84/222244484.db2.gz OEUQSLYIQAJHEN-LJQANCHMSA-N 1 2 378.455 4.103 40 0 GIABLO CCCCN(CC)C(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000096037526 222373316 /nfs/dbraw/zinc/37/33/16/222373316.db2.gz WFZTVSDHTJHCQR-QFIPXVFZSA-N 1 2 382.552 4.212 40 0 GIABLO CCCCN(CC)C(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000096037526 222373317 /nfs/dbraw/zinc/37/33/17/222373317.db2.gz WFZTVSDHTJHCQR-QFIPXVFZSA-N 1 2 382.552 4.212 40 0 GIABLO CCCCN(CC)C(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037526 222373321 /nfs/dbraw/zinc/37/33/21/222373321.db2.gz WFZTVSDHTJHCQR-QFIPXVFZSA-N 1 2 382.552 4.212 40 0 GIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccccc1)CC2 ZINC000096147224 222389444 /nfs/dbraw/zinc/38/94/44/222389444.db2.gz OPLHRTQKVKTDLI-JOCHJYFZSA-N 1 2 392.478 4.341 40 0 GIABLO COc1cccc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156570 222392702 /nfs/dbraw/zinc/39/27/02/222392702.db2.gz SEUNLFWYSOAHBU-OAQYLSRUSA-N 1 2 385.471 4.137 40 0 GIABLO COc1cccc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156570 222392707 /nfs/dbraw/zinc/39/27/07/222392707.db2.gz SEUNLFWYSOAHBU-OAQYLSRUSA-N 1 2 385.471 4.137 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329012057 570212293 /nfs/dbraw/zinc/21/22/93/570212293.db2.gz MIELKSRGWRIELM-HNNXBMFYSA-N 1 2 398.404 4.106 40 0 GIABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329021736 570213386 /nfs/dbraw/zinc/21/33/86/570213386.db2.gz OIGPOWAVSACZKY-FQEVSTJZSA-N 1 2 394.544 4.460 40 0 GIABLO COc1cccc(CC[N@@H+]2CCOc3nc4c(C)cc(C)cc4cc3C2)c1OC ZINC000057718963 570371169 /nfs/dbraw/zinc/37/11/69/570371169.db2.gz AGPRERAVNGDYDK-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1cccc(CC[N@H+]2CCOc3nc4c(C)cc(C)cc4cc3C2)c1OC ZINC000057718963 570371171 /nfs/dbraw/zinc/37/11/71/570371171.db2.gz AGPRERAVNGDYDK-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc(OC)c([C@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)c1 ZINC000004847710 570421506 /nfs/dbraw/zinc/42/15/06/570421506.db2.gz BFKKHFBFDIEKIX-OAQYLSRUSA-N 1 2 399.539 4.017 40 0 GIABLO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224987734 570541937 /nfs/dbraw/zinc/54/19/37/570541937.db2.gz IORLAFZCZIPJNA-RMKNXTFCSA-N 1 2 398.934 4.355 40 0 GIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCc1ccccc1 ZINC000044902885 570641278 /nfs/dbraw/zinc/64/12/78/570641278.db2.gz SPXJASKGYRWBHP-UHFFFAOYSA-N 1 2 383.451 4.381 40 0 GIABLO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(-c3ccc(OCC)cc3)n2)cc1 ZINC000049468086 570663432 /nfs/dbraw/zinc/66/34/32/570663432.db2.gz JJYXFQVEIJABPT-UHFFFAOYSA-N 1 2 378.432 4.045 40 0 GIABLO CCOC(=O)c1ccc(Nc2cc(N)nc(-c3ccc(OCC)cc3)[nH+]2)cc1 ZINC000049468086 570663434 /nfs/dbraw/zinc/66/34/34/570663434.db2.gz JJYXFQVEIJABPT-UHFFFAOYSA-N 1 2 378.432 4.045 40 0 GIABLO COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[N@H+](C)C2 ZINC000004223492 570726828 /nfs/dbraw/zinc/72/68/28/570726828.db2.gz NQKUGSMYMTUSDY-UHFFFAOYSA-N 1 2 399.299 4.082 40 0 GIABLO COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[N@@H+](C)C2 ZINC000004223492 570726833 /nfs/dbraw/zinc/72/68/33/570726833.db2.gz NQKUGSMYMTUSDY-UHFFFAOYSA-N 1 2 399.299 4.082 40 0 GIABLO CCC[C@H]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C[C@H]1Nc1ccccc1 ZINC000257209935 570761110 /nfs/dbraw/zinc/76/11/10/570761110.db2.gz BSMDFQFNKISRNT-PZJWPPBQSA-N 1 2 390.531 4.315 40 0 GIABLO Cn1c[nH+]cc1-c1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1 ZINC000257235255 570766364 /nfs/dbraw/zinc/76/63/64/570766364.db2.gz GXBLANVFKCKNBW-OAQYLSRUSA-N 1 2 383.455 4.008 40 0 GIABLO Clc1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)n1 ZINC000257270299 570773566 /nfs/dbraw/zinc/77/35/66/570773566.db2.gz MTPRDSHEHFKGEG-QFIPXVFZSA-N 1 2 379.891 4.294 40 0 GIABLO Clc1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)n1 ZINC000257270299 570773569 /nfs/dbraw/zinc/77/35/69/570773569.db2.gz MTPRDSHEHFKGEG-QFIPXVFZSA-N 1 2 379.891 4.294 40 0 GIABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257296499 570777385 /nfs/dbraw/zinc/77/73/85/570777385.db2.gz RDCXFWPQTCHOCX-LJQANCHMSA-N 1 2 381.455 4.318 40 0 GIABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2ncccc2F)n1 ZINC000257296499 570777386 /nfs/dbraw/zinc/77/73/86/570777386.db2.gz RDCXFWPQTCHOCX-LJQANCHMSA-N 1 2 381.455 4.318 40 0 GIABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306123292 570935835 /nfs/dbraw/zinc/93/58/35/570935835.db2.gz AJHYGPHYMLHMQS-QFIPXVFZSA-N 1 2 388.446 4.109 40 0 GIABLO Fc1ccc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306123292 570935837 /nfs/dbraw/zinc/93/58/37/570935837.db2.gz AJHYGPHYMLHMQS-QFIPXVFZSA-N 1 2 388.446 4.109 40 0 GIABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)CC2CCCCC2)CC3)c1 ZINC000585111399 570941574 /nfs/dbraw/zinc/94/15/74/570941574.db2.gz SERDLIINEPQPGF-UHFFFAOYSA-N 1 2 381.520 4.052 40 0 GIABLO COc1cc2c(cc1C[NH2+][C@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019240077 570968834 /nfs/dbraw/zinc/96/88/34/570968834.db2.gz CITQUIULVIXKOI-OAHLLOKOSA-N 1 2 388.514 4.324 40 0 GIABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000019286729 570970136 /nfs/dbraw/zinc/97/01/36/570970136.db2.gz KUDGKZGCUXQTDI-ZIAGYGMSSA-N 1 2 378.501 4.468 40 0 GIABLO COc1ccc2c(C)c(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)oc2c1 ZINC000019565765 571007366 /nfs/dbraw/zinc/00/73/66/571007366.db2.gz KLPCJOMXNBGUMG-LJQANCHMSA-N 1 2 393.418 4.142 40 0 GIABLO Cc1cc2[nH+]cn(CCC(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)c2cc1C ZINC000019661140 571025789 /nfs/dbraw/zinc/02/57/89/571025789.db2.gz SMWXLNVZHCOFIV-KRWDZBQOSA-N 1 2 377.488 4.025 40 0 GIABLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1cc(-c2ccccn2)n[nH]1 ZINC000019717587 571040313 /nfs/dbraw/zinc/04/03/13/571040313.db2.gz YKFNXCIAQLWQJT-UHFFFAOYSA-N 1 2 395.466 4.240 40 0 GIABLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1cc(-c2ccccn2)n[nH]1 ZINC000019717587 571040318 /nfs/dbraw/zinc/04/03/18/571040318.db2.gz YKFNXCIAQLWQJT-UHFFFAOYSA-N 1 2 395.466 4.240 40 0 GIABLO COc1cccc(CCNc2cc([C@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)c1 ZINC000019717906 571040615 /nfs/dbraw/zinc/04/06/15/571040615.db2.gz SFSJHAMIKOMDQZ-OAHLLOKOSA-N 1 2 393.535 4.374 40 0 GIABLO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000223737718 222642192 /nfs/dbraw/zinc/64/21/92/222642192.db2.gz KPVLGBPZJQQRDG-UHFFFAOYSA-N 1 2 377.488 4.038 40 0 GIABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCC3)[nH+]cn1)CC2 ZINC000329026086 212093545 /nfs/dbraw/zinc/09/35/45/212093545.db2.gz PJTQXTMUMDZVPW-UHFFFAOYSA-N 1 2 378.398 4.292 40 0 GIABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCC3)nc[nH+]1)CC2 ZINC000329026086 212093548 /nfs/dbraw/zinc/09/35/48/212093548.db2.gz PJTQXTMUMDZVPW-UHFFFAOYSA-N 1 2 378.398 4.292 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329020851 212093569 /nfs/dbraw/zinc/09/35/69/212093569.db2.gz OEAGTBXMKHAKPQ-HNNXBMFYSA-N 1 2 381.307 4.255 40 0 GIABLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(c2ccccc2OC)CCCC1 ZINC000012115979 221151695 /nfs/dbraw/zinc/15/16/95/221151695.db2.gz BMNOQHGZXSSZGT-UHFFFAOYSA-N 1 2 377.488 4.193 40 0 GIABLO Cc1ccccc1[C@@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccncc1 ZINC000012116875 221151871 /nfs/dbraw/zinc/15/18/71/221151871.db2.gz NLBRUBXQAHUAJD-QHCPKHFHSA-N 1 2 382.467 4.159 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccncc3C)cc2n1 ZINC000012223022 221170995 /nfs/dbraw/zinc/17/09/95/221170995.db2.gz XUSXWSRGBHBHFQ-MRXNPFEDSA-N 1 2 375.398 4.097 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccncc3C)cc2n1 ZINC000012223022 221170997 /nfs/dbraw/zinc/17/09/97/221170997.db2.gz XUSXWSRGBHBHFQ-MRXNPFEDSA-N 1 2 375.398 4.097 40 0 GIABLO COc1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)cc(OC)c1OC ZINC000013568998 221274565 /nfs/dbraw/zinc/27/45/65/221274565.db2.gz AHKQVZVNXBFAPZ-UHFFFAOYSA-N 1 2 396.462 4.449 40 0 GIABLO COc1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)cc(OC)c1OC ZINC000013568998 221274568 /nfs/dbraw/zinc/27/45/68/221274568.db2.gz AHKQVZVNXBFAPZ-UHFFFAOYSA-N 1 2 396.462 4.449 40 0 GIABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116926 221396174 /nfs/dbraw/zinc/39/61/74/221396174.db2.gz OTOGRQSVJVBLKE-MRXNPFEDSA-N 1 2 390.409 4.402 40 0 GIABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116926 221396178 /nfs/dbraw/zinc/39/61/78/221396178.db2.gz OTOGRQSVJVBLKE-MRXNPFEDSA-N 1 2 390.409 4.402 40 0 GIABLO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000107549270 136197037 /nfs/dbraw/zinc/19/70/37/136197037.db2.gz YDOWYLUMLJMVKV-UHFFFAOYSA-N 1 2 395.322 4.240 40 0 GIABLO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219862087 136204431 /nfs/dbraw/zinc/20/44/31/136204431.db2.gz GNTIPFSRLULXGV-UHFFFAOYSA-N 1 2 380.488 4.335 40 0 GIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)Nc1cccc(F)c1)N(Cc1ccccc1)CC2 ZINC000096037486 222373180 /nfs/dbraw/zinc/37/31/80/222373180.db2.gz JCNCCLPTPMYINE-JOCHJYFZSA-N 1 2 392.478 4.341 40 0 GIABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@H]3F)nc2c1 ZINC000096112323 222381226 /nfs/dbraw/zinc/38/12/26/222381226.db2.gz FHIQSCTZIXOCMZ-GCJKJVERSA-N 1 2 390.462 4.159 40 0 biogenic,in-vitro GIABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@H]3F)nc2c1 ZINC000096112323 222381229 /nfs/dbraw/zinc/38/12/29/222381229.db2.gz FHIQSCTZIXOCMZ-GCJKJVERSA-N 1 2 390.462 4.159 40 0 biogenic,in-vitro GIABLO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2c1 ZINC000096112323 222381230 /nfs/dbraw/zinc/38/12/30/222381230.db2.gz FHIQSCTZIXOCMZ-GCJKJVERSA-N 1 2 390.462 4.159 40 0 biogenic,in-vitro GIABLO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2c1 ZINC000096112323 222381232 /nfs/dbraw/zinc/38/12/32/222381232.db2.gz FHIQSCTZIXOCMZ-GCJKJVERSA-N 1 2 390.462 4.159 40 0 biogenic,in-vitro GIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cccc(Cl)c2)Oc2ccccc2N1CC1CC1 ZINC000096111803 222381889 /nfs/dbraw/zinc/38/18/89/222381889.db2.gz IWKLKZZDQVWDFS-ICSRJNTNSA-N 1 2 382.891 4.119 40 0 biogenic,in-vitro GIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cccc(Cl)c2)Oc2ccccc2N1CC1CC1 ZINC000096111803 222381892 /nfs/dbraw/zinc/38/18/92/222381892.db2.gz IWKLKZZDQVWDFS-ICSRJNTNSA-N 1 2 382.891 4.119 40 0 biogenic,in-vitro GIABLO CCCN1CCc2cc(-c3c[nH+]cn3[C@H](C)Cc3c(C)nn(C)c3C)ccc21 ZINC000019719556 570210572 /nfs/dbraw/zinc/21/05/72/570210572.db2.gz QQZSJEGQRFUIEG-MRXNPFEDSA-N 1 2 377.536 4.477 40 0 GIABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329021737 570213326 /nfs/dbraw/zinc/21/33/26/570213326.db2.gz OIGPOWAVSACZKY-HXUWFJFHSA-N 1 2 394.544 4.460 40 0 GIABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329068615 570216411 /nfs/dbraw/zinc/21/64/11/570216411.db2.gz YRHJOIODUBYFIG-UHFFFAOYSA-N 1 2 395.304 4.376 40 0 GIABLO c1cc(N2CCOCC2)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329067739 570216488 /nfs/dbraw/zinc/21/64/88/570216488.db2.gz YKOHJMSGUSNLLQ-UHFFFAOYSA-N 1 2 393.535 4.101 40 0 GIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)c(C)c1 ZINC000020611071 570280598 /nfs/dbraw/zinc/28/05/98/570280598.db2.gz QWVOGIUNHUPFOH-UHFFFAOYSA-N 1 2 379.508 4.478 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000072216651 570317375 /nfs/dbraw/zinc/31/73/75/570317375.db2.gz RWGIUUWKZFWEQC-OAQYLSRUSA-N 1 2 399.560 4.296 40 0 GIABLO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCCC2 ZINC000004847595 570412024 /nfs/dbraw/zinc/41/20/24/570412024.db2.gz STMKFMYDAOMJEJ-UHFFFAOYSA-N 1 2 384.545 4.447 40 0 GIABLO COc1ccccc1NC(=O)N1CCC(n2c(C)[nH+]c3cc(F)ccc32)CC1 ZINC000035314471 570469058 /nfs/dbraw/zinc/46/90/58/570469058.db2.gz SUIKUXQIHYBUEL-UHFFFAOYSA-N 1 2 382.439 4.361 40 0 GIABLO COc1ccc([C@@H]2C[C@@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430372 570504677 /nfs/dbraw/zinc/50/46/77/570504677.db2.gz CBYNWEMJTGYPFZ-MBSDFSHPSA-N 1 2 397.471 4.159 40 0 GIABLO CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)CCCC2 ZINC000020192239 570514675 /nfs/dbraw/zinc/51/46/75/570514675.db2.gz LICYVNWQJOWLSH-OAQYLSRUSA-N 1 2 384.545 4.315 40 0 GIABLO O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959675 570540135 /nfs/dbraw/zinc/54/01/35/570540135.db2.gz PNZIIBDSTVFLCE-UHFFFAOYSA-N 1 2 382.888 4.411 40 0 GIABLO FC(F)(F)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225453932 570575843 /nfs/dbraw/zinc/57/58/43/570575843.db2.gz ZXXGAOHHBDSVMS-UHFFFAOYSA-N 1 2 376.407 4.378 40 0 GIABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038755509 570582252 /nfs/dbraw/zinc/58/22/52/570582252.db2.gz ROYAVSZYMLYVPA-OXHGWOFKSA-N 1 2 392.543 4.318 40 0 GIABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000004966663 570654229 /nfs/dbraw/zinc/65/42/29/570654229.db2.gz PMCLWDYUWKQCIW-UHFFFAOYSA-N 1 2 378.516 4.454 40 0 GIABLO COc1cccc2c1OC1(CC[NH+](Cc3nccs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257227098 570764254 /nfs/dbraw/zinc/76/42/54/570764254.db2.gz FNQHOEHXGSZJEQ-QFBILLFUSA-N 1 2 386.517 4.047 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257294118 570777021 /nfs/dbraw/zinc/77/70/21/570777021.db2.gz QSOUVFCZLKDFCI-NRFANRHFSA-N 1 2 390.487 4.111 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257294118 570777022 /nfs/dbraw/zinc/77/70/22/570777022.db2.gz QSOUVFCZLKDFCI-NRFANRHFSA-N 1 2 390.487 4.111 40 0 GIABLO C[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1[NH+]1CCCCC1)OCO3 ZINC000073312361 570884662 /nfs/dbraw/zinc/88/46/62/570884662.db2.gz BZKPASBEIZXLFA-AUDZJJNUSA-N 1 2 395.455 4.116 40 0 GIABLO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000019210190 570960494 /nfs/dbraw/zinc/96/04/94/570960494.db2.gz DDPHRGKUUDKICJ-UHFFFAOYSA-N 1 2 387.531 4.373 40 0 GIABLO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000019210190 570960499 /nfs/dbraw/zinc/96/04/99/570960499.db2.gz DDPHRGKUUDKICJ-UHFFFAOYSA-N 1 2 387.531 4.373 40 0 GIABLO Cc1cccnc1CN(Cc1ccccc1)C(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019237776 570967245 /nfs/dbraw/zinc/96/72/45/570967245.db2.gz QRYUNXZNGOGXRR-UHFFFAOYSA-N 1 2 396.494 4.477 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccncc3C)cc2n1 ZINC000019522351 570994904 /nfs/dbraw/zinc/99/49/04/570994904.db2.gz VUULFGVJQIDBQS-KRWDZBQOSA-N 1 2 389.425 4.351 40 0 GIABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccncc3C)cc2n1 ZINC000019522351 570994906 /nfs/dbraw/zinc/99/49/06/570994906.db2.gz VUULFGVJQIDBQS-KRWDZBQOSA-N 1 2 389.425 4.351 40 0 GIABLO Clc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329060255 212094684 /nfs/dbraw/zinc/09/46/84/212094684.db2.gz WKNXVIXBOXPPIA-UHFFFAOYSA-N 1 2 393.922 4.393 40 0 GIABLO FC(F)(F)Oc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328982823 212092667 /nfs/dbraw/zinc/09/26/67/212092667.db2.gz HCQYKADRKOIISS-UHFFFAOYSA-N 1 2 378.398 4.195 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328999225 212091669 /nfs/dbraw/zinc/09/16/69/212091669.db2.gz JUYYNHWKUGRJMJ-LJQANCHMSA-N 1 2 382.895 4.391 40 0 GIABLO CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1 ZINC000328956365 212090687 /nfs/dbraw/zinc/09/06/87/212090687.db2.gz AFHKNPZNWQPSPG-UHFFFAOYSA-N 1 2 376.504 4.401 40 0 GIABLO Clc1ccc(-c2nc(N3CCSCC3)ncc2-c2[nH]cc[nH+]2)c(Cl)c1 ZINC000012221795 221169408 /nfs/dbraw/zinc/16/94/08/221169408.db2.gz KEADLCQSQOSRKD-UHFFFAOYSA-N 1 2 392.315 4.394 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccncc3C)cc2n1 ZINC000012223021 221170961 /nfs/dbraw/zinc/17/09/61/221170961.db2.gz XUSXWSRGBHBHFQ-INIZCTEOSA-N 1 2 375.398 4.097 40 0 GIABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccncc3C)cc2n1 ZINC000012223021 221170965 /nfs/dbraw/zinc/17/09/65/221170965.db2.gz XUSXWSRGBHBHFQ-INIZCTEOSA-N 1 2 375.398 4.097 40 0 GIABLO COc1ccc2[nH]c(C(=O)N3CCC(n4c(C)[nH+]c5ccccc54)CC3)cc2c1 ZINC000014976935 221322989 /nfs/dbraw/zinc/32/29/89/221322989.db2.gz CJFMJEUEUPHGHU-UHFFFAOYSA-N 1 2 388.471 4.312 40 0 GIABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(Cc3ccccc3)no1)N(CC1CCCCC1)C2 ZINC000015675668 221338539 /nfs/dbraw/zinc/33/85/39/221338539.db2.gz DPVGAFHNBPBJNU-FQEVSTJZSA-N 1 2 377.492 4.063 40 0 biogenic,in-vitro GIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2)cc1 ZINC000219858932 136204419 /nfs/dbraw/zinc/20/44/19/136204419.db2.gz ANDXRBSTJHNPAF-UHFFFAOYSA-N 1 2 393.531 4.378 40 0 GIABLO COc1ccc(NC(=O)N2CCC(n3c(C)[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000035314259 221817488 /nfs/dbraw/zinc/81/74/88/221817488.db2.gz DWELXJNMIDDCAB-UHFFFAOYSA-N 1 2 382.439 4.361 40 0 GIABLO Cc1nonc1C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)cnc1-c1ccncc1 ZINC000072343216 222231630 /nfs/dbraw/zinc/23/16/30/222231630.db2.gz YUVJKINSEWCNDN-UHFFFAOYSA-N 1 2 389.434 4.273 40 0 GIABLO Cc1nonc1C[N@H+](C)Cc1cc(-c2ccc(F)cc2)cnc1-c1ccncc1 ZINC000072343216 222231633 /nfs/dbraw/zinc/23/16/33/222231633.db2.gz YUVJKINSEWCNDN-UHFFFAOYSA-N 1 2 389.434 4.273 40 0 GIABLO Cc1nn2c(nc(C)c(C)c2NCCCn2cc[nH+]c2)c1-c1ccc(F)cc1 ZINC000072341713 222232234 /nfs/dbraw/zinc/23/22/34/222232234.db2.gz VCHRGGGMAYBGDX-UHFFFAOYSA-N 1 2 378.455 4.159 40 0 GIABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000072353612 222238001 /nfs/dbraw/zinc/23/80/01/222238001.db2.gz ZVPITEGSDOGIEG-IBGZPJMESA-N 1 2 378.520 4.321 40 0 GIABLO Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)o1 ZINC000072353345 222238502 /nfs/dbraw/zinc/23/85/02/222238502.db2.gz JVKQCGFJTXXUTF-KRWDZBQOSA-N 1 2 391.475 4.153 40 0 GIABLO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3nccs3)n2)cc1 ZINC000072357697 222239860 /nfs/dbraw/zinc/23/98/60/222239860.db2.gz OBFBGBXPXRTMOM-FQEVSTJZSA-N 1 2 392.528 4.213 40 0 GIABLO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3CC(=O)Nc3nccs3)n2)cc1 ZINC000072357697 222239862 /nfs/dbraw/zinc/23/98/62/222239862.db2.gz OBFBGBXPXRTMOM-FQEVSTJZSA-N 1 2 392.528 4.213 40 0 GIABLO Cc1cc(N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)nc(C)[nH+]1 ZINC000072371419 222243333 /nfs/dbraw/zinc/24/33/33/222243333.db2.gz ASBDJXMAEADYAY-INIZCTEOSA-N 1 2 397.910 4.085 40 0 GIABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]3F)nc2c1 ZINC000096112217 222382191 /nfs/dbraw/zinc/38/21/91/222382191.db2.gz VZOZVIWYCCKCMF-QAPCUYQASA-N 1 2 377.822 4.095 40 0 biogenic,in-vitro GIABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@H]3F)nc2c1 ZINC000096112217 222382194 /nfs/dbraw/zinc/38/21/94/222382194.db2.gz VZOZVIWYCCKCMF-QAPCUYQASA-N 1 2 377.822 4.095 40 0 biogenic,in-vitro GIABLO Fc1cccc(Nc2ccc3c([C@@H]4CCC[N@@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156583 222393288 /nfs/dbraw/zinc/39/32/88/222393288.db2.gz DAHPFGADMSGSAS-FQEVSTJZSA-N 1 2 388.450 4.344 40 0 GIABLO Fc1cccc(Nc2ccc3c([C@@H]4CCC[N@H+]4Cc4cccnc4)nnn3c2)c1 ZINC000096156583 222393292 /nfs/dbraw/zinc/39/32/92/222393292.db2.gz DAHPFGADMSGSAS-FQEVSTJZSA-N 1 2 388.450 4.344 40 0 GIABLO C[C@@H](SCc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408565575 533996919 /nfs/dbraw/zinc/99/69/19/533996919.db2.gz LLRFCOAAHOFQLL-ZTVSIKPCSA-N 1 2 380.557 4.166 40 0 GIABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329021729 570213488 /nfs/dbraw/zinc/21/34/88/570213488.db2.gz OIAIGRXDPHJZKU-INIZCTEOSA-N 1 2 376.504 4.399 40 0 GIABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Br)c1 ZINC000329071084 570216903 /nfs/dbraw/zinc/21/69/03/570216903.db2.gz ZMXGFKCZQFHYCI-UHFFFAOYSA-N 1 2 399.267 4.207 40 0 GIABLO O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020110193 570240770 /nfs/dbraw/zinc/24/07/70/570240770.db2.gz PSBHPEZOIRUAID-UHFFFAOYSA-N 1 2 398.812 4.443 40 0 GIABLO CN1CC[NH+]([C@H](c2c3ccccc3n(O)c2-c2ccccc2)c2ccccn2)CC1 ZINC000020192845 570246632 /nfs/dbraw/zinc/24/66/32/570246632.db2.gz KSPPFVMBFSONKS-VWLOTQADSA-N 1 2 398.510 4.277 40 0 GIABLO Brc1ccc2[nH+]c(-c3cccs3)c(NC[C@@H]3CCCO3)n2c1 ZINC000000904319 570515155 /nfs/dbraw/zinc/51/51/55/570515155.db2.gz VGORKQFGGLTDML-LBPRGKRZSA-N 1 2 378.295 4.416 40 0 GIABLO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(Nc3ccc4c(c3)OCCO4)c12 ZINC000004934825 570644893 /nfs/dbraw/zinc/64/48/93/570644893.db2.gz FTWOIELCXMIYTB-UHFFFAOYSA-N 1 2 376.416 4.204 40 0 GIABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)s1 ZINC000306140380 570944851 /nfs/dbraw/zinc/94/48/51/570944851.db2.gz URNQEMXSKYNLIC-OAQYLSRUSA-N 1 2 390.512 4.340 40 0 GIABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)s1 ZINC000306140380 570944852 /nfs/dbraw/zinc/94/48/52/570944852.db2.gz URNQEMXSKYNLIC-OAQYLSRUSA-N 1 2 390.512 4.340 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306143936 570946237 /nfs/dbraw/zinc/94/62/37/570946237.db2.gz YRGKKANZQLVBBM-APWZRJJASA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306143936 570946239 /nfs/dbraw/zinc/94/62/39/570946239.db2.gz YRGKKANZQLVBBM-APWZRJJASA-N 1 2 387.551 4.232 40 0 GIABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019594357 571020477 /nfs/dbraw/zinc/02/04/77/571020477.db2.gz SJVWICHEDWDJEE-QHCPKHFHSA-N 1 2 396.462 4.102 40 0 GIABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c1 ZINC000019594357 571020480 /nfs/dbraw/zinc/02/04/80/571020480.db2.gz SJVWICHEDWDJEE-QHCPKHFHSA-N 1 2 396.462 4.102 40 0 GIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019664439 571026865 /nfs/dbraw/zinc/02/68/65/571026865.db2.gz CFMVUUWVQFRTKZ-QFIPXVFZSA-N 1 2 394.494 4.204 40 0 GIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019664439 571026868 /nfs/dbraw/zinc/02/68/68/571026868.db2.gz CFMVUUWVQFRTKZ-QFIPXVFZSA-N 1 2 394.494 4.204 40 0 GIABLO CC[C@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(C2CC2)[nH+]1 ZINC000329047021 212094840 /nfs/dbraw/zinc/09/48/40/212094840.db2.gz UEBIQONRBZNJJL-NSHDSACASA-N 1 2 375.314 4.223 40 0 GIABLO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329045046 212094899 /nfs/dbraw/zinc/09/48/99/212094899.db2.gz TUGFKVQEDNXHJG-UHFFFAOYSA-N 1 2 388.471 4.132 40 0 GIABLO CNc1nc(Nc2cc(C)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008118 212093766 /nfs/dbraw/zinc/09/37/66/212093766.db2.gz LPPANFDRPWRVQQ-UHFFFAOYSA-N 1 2 388.393 4.288 40 0 GIABLO CC(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328987601 212092077 /nfs/dbraw/zinc/09/20/77/212092077.db2.gz IBCXMCWTDBUANY-UHFFFAOYSA-N 1 2 388.393 4.450 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329059698 212095103 /nfs/dbraw/zinc/09/51/03/212095103.db2.gz WJPMESZUUMCBCE-INIZCTEOSA-N 1 2 381.307 4.255 40 0 GIABLO CNc1nc(Nc2ccc(C)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328979166 212091219 /nfs/dbraw/zinc/09/12/19/212091219.db2.gz GDOKMWFIAWXIDI-UHFFFAOYSA-N 1 2 392.356 4.119 40 0 GIABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000328972148 212090173 /nfs/dbraw/zinc/09/01/73/212090173.db2.gz DUHKIAFHNIRUQP-JTQLQIEISA-N 1 2 379.277 4.053 40 0 GIABLO Clc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000328959319 212090281 /nfs/dbraw/zinc/09/02/81/212090281.db2.gz ASYLZWACZXQMDD-UHFFFAOYSA-N 1 2 393.922 4.393 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000012116402 221151690 /nfs/dbraw/zinc/15/16/90/221151690.db2.gz FVLXGMISIRXHDM-OAHLLOKOSA-N 1 2 382.533 4.212 40 0 GIABLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(c2ccc(OC)cc2)CCCC1 ZINC000012115987 221151909 /nfs/dbraw/zinc/15/19/09/221151909.db2.gz ZKTBDNBVHIBJGL-UHFFFAOYSA-N 1 2 377.488 4.193 40 0 GIABLO O=C(CCCn1cc[nH+]c1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000019293318 221406658 /nfs/dbraw/zinc/40/66/58/221406658.db2.gz GYIQAJHWCLCXRZ-UHFFFAOYSA-N 1 2 394.422 4.368 40 0 GIABLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057712352 136153882 /nfs/dbraw/zinc/15/38/82/136153882.db2.gz AFZSMLXOAXSVTI-UHFFFAOYSA-N 1 2 378.303 4.063 40 0 GIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)cc1 ZINC000219855123 136204375 /nfs/dbraw/zinc/20/43/75/136204375.db2.gz IFXYJQFTRKPUEH-UHFFFAOYSA-N 1 2 393.531 4.236 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378918 222245188 /nfs/dbraw/zinc/24/51/88/222245188.db2.gz DHMVTMUGYAJJGK-FQEVSTJZSA-N 1 2 392.478 4.436 40 0 GIABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378893 222245269 /nfs/dbraw/zinc/24/52/69/222245269.db2.gz VIFSFAWIKALYMJ-NRFANRHFSA-N 1 2 399.498 4.217 40 0 GIABLO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccccc2Cl)on1 ZINC000072395072 222251196 /nfs/dbraw/zinc/25/11/96/222251196.db2.gz BRUPYOKZMXQWCA-DENIHFKCSA-N 1 2 397.906 4.291 40 0 GIABLO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccccc2Cl)on1 ZINC000072395072 222251198 /nfs/dbraw/zinc/25/11/98/222251198.db2.gz BRUPYOKZMXQWCA-DENIHFKCSA-N 1 2 397.906 4.291 40 0 GIABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000019718458 570209968 /nfs/dbraw/zinc/20/99/68/570209968.db2.gz XVMFIFDUWQSYSR-OAHLLOKOSA-N 1 2 391.450 4.182 40 0 GIABLO C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1[NH+]1CCCCC1)OCO3 ZINC000031860809 570506811 /nfs/dbraw/zinc/50/68/11/570506811.db2.gz BZKPASBEIZXLFA-ILFDSTAHSA-N 1 2 395.455 4.116 40 0 GIABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019922290 570510475 /nfs/dbraw/zinc/51/04/75/570510475.db2.gz SDQQOTHGDARHHY-KBPBESRZSA-N 1 2 388.533 4.235 40 0 GIABLO CC(C)c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038229608 570579187 /nfs/dbraw/zinc/57/91/87/570579187.db2.gz DBERTKKSGGZEJO-UHFFFAOYSA-N 1 2 383.561 4.129 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000257273278 570773847 /nfs/dbraw/zinc/77/38/47/570773847.db2.gz NFYDBZVRNGKMLL-FQEVSTJZSA-N 1 2 394.544 4.471 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000257273278 570773850 /nfs/dbraw/zinc/77/38/50/570773850.db2.gz NFYDBZVRNGKMLL-FQEVSTJZSA-N 1 2 394.544 4.471 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000257273278 570773854 /nfs/dbraw/zinc/77/38/54/570773854.db2.gz NFYDBZVRNGKMLL-FQEVSTJZSA-N 1 2 394.544 4.471 40 0 GIABLO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000257273278 570773857 /nfs/dbraw/zinc/77/38/57/570773857.db2.gz NFYDBZVRNGKMLL-FQEVSTJZSA-N 1 2 394.544 4.471 40 0 GIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320508 570781317 /nfs/dbraw/zinc/78/13/17/570781317.db2.gz VXDFNCMSDSTXTB-QHCPKHFHSA-N 1 2 393.462 4.173 40 0 GIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 ZINC000257320508 570781320 /nfs/dbraw/zinc/78/13/20/570781320.db2.gz VXDFNCMSDSTXTB-QHCPKHFHSA-N 1 2 393.462 4.173 40 0 GIABLO C[C@H](CCc1ccccc1)Nc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257335614 570783475 /nfs/dbraw/zinc/78/34/75/570783475.db2.gz YLBNPZVZYYUYNW-OAHLLOKOSA-N 1 2 378.524 4.190 40 0 GIABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306138385 570943758 /nfs/dbraw/zinc/94/37/58/570943758.db2.gz RWEYPYXRNMHEIT-OAQYLSRUSA-N 1 2 390.512 4.340 40 0 GIABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306138385 570943761 /nfs/dbraw/zinc/94/37/61/570943761.db2.gz RWEYPYXRNMHEIT-OAQYLSRUSA-N 1 2 390.512 4.340 40 0 GIABLO Cc1nc2c(c(N3CCC(c4ccncc4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286194 570969535 /nfs/dbraw/zinc/96/95/35/570969535.db2.gz FMYSKCAPELUBNQ-UHFFFAOYSA-N 1 2 399.542 4.122 40 0 GIABLO Cc1nc2c(c(N3CCC(c4ccncc4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286194 570969537 /nfs/dbraw/zinc/96/95/37/570969537.db2.gz FMYSKCAPELUBNQ-UHFFFAOYSA-N 1 2 399.542 4.122 40 0 GIABLO Fc1ccccc1C[NH2+]Cc1c(Cl)nc2ccccc2c1N1CCOCC1 ZINC000019349546 570978457 /nfs/dbraw/zinc/97/84/57/570978457.db2.gz VHAUMLKKQAHFOS-UHFFFAOYSA-N 1 2 385.870 4.154 40 0 GIABLO CCCn1c(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)nc2ccccc21 ZINC000019526014 570997321 /nfs/dbraw/zinc/99/73/21/570997321.db2.gz NPMKMTSGGIJTRQ-UHFFFAOYSA-N 1 2 390.487 4.191 40 0 GIABLO CCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nccs1)OCO2 ZINC000019532543 570999332 /nfs/dbraw/zinc/99/93/32/570999332.db2.gz NNZGVOSMDNQDQA-OAHLLOKOSA-N 1 2 388.514 4.406 40 0 GIABLO COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1Cc1cccnc1 ZINC000019571571 571010260 /nfs/dbraw/zinc/01/02/60/571010260.db2.gz RYNGMXFDWNQYJK-UTKZUKDTSA-N 1 2 397.482 4.062 40 0 GIABLO COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1Cc1cccnc1 ZINC000019571571 571010261 /nfs/dbraw/zinc/01/02/61/571010261.db2.gz RYNGMXFDWNQYJK-UTKZUKDTSA-N 1 2 397.482 4.062 40 0 GIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000019664442 571026989 /nfs/dbraw/zinc/02/69/89/571026989.db2.gz CFMVUUWVQFRTKZ-JOCHJYFZSA-N 1 2 394.494 4.204 40 0 GIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000019664442 571026993 /nfs/dbraw/zinc/02/69/93/571026993.db2.gz CFMVUUWVQFRTKZ-JOCHJYFZSA-N 1 2 394.494 4.204 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329066607 212094674 /nfs/dbraw/zinc/09/46/74/212094674.db2.gz YCEVFOZNWBWEOI-INIZCTEOSA-N 1 2 381.307 4.255 40 0 GIABLO CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329049079 212095350 /nfs/dbraw/zinc/09/53/50/212095350.db2.gz UOBKCMLOIBBAJG-UHFFFAOYSA-N 1 2 387.256 4.064 40 0 GIABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328998555 212091806 /nfs/dbraw/zinc/09/18/06/212091806.db2.gz JSSOFGZZJLLARX-KRWDZBQOSA-N 1 2 394.441 4.276 40 0 GIABLO Oc1c(Cl)cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000328957038 212090668 /nfs/dbraw/zinc/09/06/68/212090668.db2.gz AIRIJEIFQMUQBF-UHFFFAOYSA-N 1 2 379.291 4.308 40 0 GIABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328977647 212090145 /nfs/dbraw/zinc/09/01/45/212090145.db2.gz FUKPFDCWZPDHQV-FQEVSTJZSA-N 1 2 396.922 4.260 40 0 GIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)CCc2ccco2)CC1 ZINC000012116403 221151615 /nfs/dbraw/zinc/15/16/15/221151615.db2.gz JATYBCJQLDKUKP-KRWDZBQOSA-N 1 2 394.519 4.003 40 0 GIABLO COc1ccc(-c2nc(NCc3ccc(F)cc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221399 221168749 /nfs/dbraw/zinc/16/87/49/221168749.db2.gz LKGTTZQKJKGWRE-UHFFFAOYSA-N 1 2 375.407 4.294 40 0 GIABLO COc1ccc(-c2nc(NCc3ccccc3F)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221400 221169553 /nfs/dbraw/zinc/16/95/53/221169553.db2.gz GJOQDDVIQMZXMI-UHFFFAOYSA-N 1 2 375.407 4.294 40 0 GIABLO Clc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c(Cl)c1 ZINC000013989992 221295133 /nfs/dbraw/zinc/29/51/33/221295133.db2.gz JHCYIMXLCGZNPJ-UHFFFAOYSA-N 1 2 394.346 4.113 40 0 GIABLO Clc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)c(Cl)c1 ZINC000013989992 221295136 /nfs/dbraw/zinc/29/51/36/221295136.db2.gz JHCYIMXLCGZNPJ-UHFFFAOYSA-N 1 2 394.346 4.113 40 0 GIABLO COCCn1c(C)cc2cc(NC(=O)c3ccccc3Cn3cc[nH+]c3)ccc21 ZINC000019126318 221397868 /nfs/dbraw/zinc/39/78/68/221397868.db2.gz RVDCUKQMFIMWOH-UHFFFAOYSA-N 1 2 388.471 4.093 40 0 GIABLO COc1ccccc1CNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)[nH+]c(C)n1 ZINC000019717885 221446546 /nfs/dbraw/zinc/44/65/46/221446546.db2.gz NJXJPNKSVVHYAB-AWEZNQCLSA-N 1 2 379.508 4.331 40 0 GIABLO O=C(C[N@@H+]1CCCC[C@@H]1c1cccnc1)Nc1nc(-c2ccccc2)cs1 ZINC000066091666 222137981 /nfs/dbraw/zinc/13/79/81/222137981.db2.gz BGOVKFTUYRMSDD-LJQANCHMSA-N 1 2 378.501 4.371 40 0 GIABLO O=C(C[N@H+]1CCCC[C@@H]1c1cccnc1)Nc1nc(-c2ccccc2)cs1 ZINC000066091666 222137987 /nfs/dbraw/zinc/13/79/87/222137987.db2.gz BGOVKFTUYRMSDD-LJQANCHMSA-N 1 2 378.501 4.371 40 0 GIABLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1 ZINC000072357699 222239842 /nfs/dbraw/zinc/23/98/42/222239842.db2.gz CBWQDMGMOPQBSB-IBGZPJMESA-N 1 2 396.491 4.044 40 0 GIABLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1 ZINC000072357699 222239844 /nfs/dbraw/zinc/23/98/44/222239844.db2.gz CBWQDMGMOPQBSB-IBGZPJMESA-N 1 2 396.491 4.044 40 0 GIABLO Fc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328965647 534517968 /nfs/dbraw/zinc/51/79/68/534517968.db2.gz CETPPSDFQYOXGA-UHFFFAOYSA-N 1 2 376.479 4.483 40 0 GIABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035426224 560080417 /nfs/dbraw/zinc/08/04/17/560080417.db2.gz PKGJWXMSRBZKSM-KRWDZBQOSA-N 1 2 383.883 4.188 40 0 biogenic,in-vitro GIABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035426224 560080418 /nfs/dbraw/zinc/08/04/18/560080418.db2.gz PKGJWXMSRBZKSM-KRWDZBQOSA-N 1 2 383.883 4.188 40 0 biogenic,in-vitro GIABLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020483915 570262088 /nfs/dbraw/zinc/26/20/88/570262088.db2.gz YQVWBSFJTKGGMO-UHFFFAOYSA-N 1 2 398.812 4.443 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NC3CCCC3)[nH+]c2)cc1 ZINC000072213967 570314270 /nfs/dbraw/zinc/31/42/70/570314270.db2.gz ATJMIUGPNQFLHN-HXUWFJFHSA-N 1 2 385.533 4.270 40 0 GIABLO CCC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669565 570366831 /nfs/dbraw/zinc/36/68/31/570366831.db2.gz BNXVVCICDZOYHA-NRFANRHFSA-N 1 2 382.556 4.068 40 0 GIABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669821 570367089 /nfs/dbraw/zinc/36/70/89/570367089.db2.gz NSXHWGWHJDYJAZ-KRWDZBQOSA-N 1 2 390.963 4.053 40 0 GIABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(C)ccc(C)c4cc3C2)cc1OC ZINC000057718866 570370967 /nfs/dbraw/zinc/37/09/67/570370967.db2.gz YBWJAHPZTAYEPI-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1ccc(CC[N@H+]2CCOc3nc4c(C)ccc(C)c4cc3C2)cc1OC ZINC000057718866 570370970 /nfs/dbraw/zinc/37/09/70/570370970.db2.gz YBWJAHPZTAYEPI-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO CCc1cccc2cc3c(nc21)OCC[N@H+](CCc1ccc(OC)c(OC)c1)C3 ZINC000057718968 570371335 /nfs/dbraw/zinc/37/13/35/570371335.db2.gz RYYIRPUEEDTENW-UHFFFAOYSA-N 1 2 392.499 4.252 40 0 GIABLO CCc1cccc2cc3c(nc21)OCC[N@@H+](CCc1ccc(OC)c(OC)c1)C3 ZINC000057718968 570371338 /nfs/dbraw/zinc/37/13/38/570371338.db2.gz RYYIRPUEEDTENW-UHFFFAOYSA-N 1 2 392.499 4.252 40 0 GIABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000223342455 570459978 /nfs/dbraw/zinc/45/99/78/570459978.db2.gz NLICXUHNQHONLA-HSZRJFAPSA-N 1 2 389.499 4.225 40 0 GIABLO O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000035316864 570470293 /nfs/dbraw/zinc/47/02/93/570470293.db2.gz PUWBHZBPLSLCBN-UHFFFAOYSA-N 1 2 384.549 4.404 40 0 GIABLO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000225183847 570554504 /nfs/dbraw/zinc/55/45/04/570554504.db2.gz OAIPSFHMGMWGJI-UHFFFAOYSA-N 1 2 377.488 4.038 40 0 GIABLO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038756311 570582827 /nfs/dbraw/zinc/58/28/27/570582827.db2.gz TVJYBGKVLCTYGD-SNMYMPMCSA-N 1 2 378.516 4.010 40 0 GIABLO COc1ccccc1-c1ccc(C2(CNC(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000257213863 570761556 /nfs/dbraw/zinc/76/15/56/570761556.db2.gz CJJJYAWTNFZXEO-UHFFFAOYSA-N 1 2 389.499 4.187 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257331701 570782991 /nfs/dbraw/zinc/78/29/91/570782991.db2.gz XTXFDTXRPRHMFY-JOCHJYFZSA-N 1 2 396.922 4.116 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257331701 570782993 /nfs/dbraw/zinc/78/29/93/570782993.db2.gz XTXFDTXRPRHMFY-JOCHJYFZSA-N 1 2 396.922 4.116 40 0 GIABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000261363044 570787929 /nfs/dbraw/zinc/78/79/29/570787929.db2.gz OYFKTLOFYQQYNY-IBGZPJMESA-O 1 2 395.508 4.097 40 0 GIABLO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2nccs2)CC1 ZINC000306126713 570937489 /nfs/dbraw/zinc/93/74/89/570937489.db2.gz FCYLRZNNCBZLIM-UHFFFAOYSA-N 1 2 380.517 4.471 40 0 GIABLO Cc1ccsc1CN(CCC[NH+]1CCOCC1)Cc1cc(F)ccc1F ZINC000019238572 570967985 /nfs/dbraw/zinc/96/79/85/570967985.db2.gz UUALHEOAASEDKX-UHFFFAOYSA-N 1 2 380.504 4.059 40 0 GIABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000019286724 570970048 /nfs/dbraw/zinc/97/00/48/570970048.db2.gz KUDGKZGCUXQTDI-KBPBESRZSA-N 1 2 378.501 4.468 40 0 GIABLO C[C@@H](CC(=O)N1CCC(c2onc3c2C[C@H](C(C)(C)C)CC3)CC1)n1cc[nH+]c1 ZINC000019455116 570986603 /nfs/dbraw/zinc/98/66/03/570986603.db2.gz CDHIAGYAFZYRON-FUHWJXTLSA-N 1 2 398.551 4.379 40 0 GIABLO CC(C)c1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000019718191 571041232 /nfs/dbraw/zinc/04/12/32/571041232.db2.gz HRGINZFWHGYDHW-CYBMUJFWSA-N 1 2 394.504 4.216 40 0 GIABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)OC1CCCCC1 ZINC000001346281 212237673 /nfs/dbraw/zinc/23/76/73/212237673.db2.gz USQHASBTLIQLRO-UHFFFAOYSA-N 1 2 382.489 4.092 40 0 GIABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328982525 212092479 /nfs/dbraw/zinc/09/24/79/212092479.db2.gz HBEJLKBPKQWIBM-UHFFFAOYSA-N 1 2 388.515 4.353 40 0 GIABLO [NH2+]=C1N=C(c2cc(Cl)cc(Br)c2O)C[C@H](c2ccccc2)N1 ZINC000008655587 221049011 /nfs/dbraw/zinc/04/90/11/221049011.db2.gz LHDPNKPECLCVAY-CYBMUJFWSA-N 1 2 378.657 4.057 40 0 GIABLO Clc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccccc3)n2)cc1 ZINC000015675596 221338367 /nfs/dbraw/zinc/33/83/67/221338367.db2.gz WOTHYQNPWIZWCD-IBGZPJMESA-N 1 2 391.862 4.413 40 0 biogenic,in-vitro GIABLO CC(C)c1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000013563056 136201216 /nfs/dbraw/zinc/20/12/16/136201216.db2.gz QYVUXAQGFPACHF-QFIPXVFZSA-N 1 2 391.515 4.225 40 0 GIABLO Cc1c(C)n(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12 ZINC000014608341 136201686 /nfs/dbraw/zinc/20/16/86/136201686.db2.gz SQMVFZYGHPCKDW-UHFFFAOYSA-N 1 2 381.907 4.374 40 0 GIABLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@@H]1CCC=CO1)[C@@H]3c1cccnc1 ZINC000072341983 222231742 /nfs/dbraw/zinc/23/17/42/222231742.db2.gz IQNCEWVYHGYEEK-FDDCHVKYSA-N 1 2 375.472 4.212 40 0 GIABLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@@H]1CCC=CO1)[C@@H]3c1cccnc1 ZINC000072341983 222231746 /nfs/dbraw/zinc/23/17/46/222231746.db2.gz IQNCEWVYHGYEEK-FDDCHVKYSA-N 1 2 375.472 4.212 40 0 GIABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@@H+]2CCCc2ccccc2)[nH]n1 ZINC000072380624 222243842 /nfs/dbraw/zinc/24/38/42/222243842.db2.gz UCXRTMZOGVNORI-JOCHJYFZSA-N 1 2 380.536 4.242 40 0 GIABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@H+]2CCCc2ccccc2)[nH]n1 ZINC000072380624 222243845 /nfs/dbraw/zinc/24/38/45/222243845.db2.gz UCXRTMZOGVNORI-JOCHJYFZSA-N 1 2 380.536 4.242 40 0 GIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072378891 222244787 /nfs/dbraw/zinc/24/47/87/222244787.db2.gz BCXOVXGQIUOICC-FQEVSTJZSA-N 1 2 388.515 4.339 40 0 GIABLO CCCc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc2c1 ZINC000013563079 535427490 /nfs/dbraw/zinc/42/74/90/535427490.db2.gz WGUVLYWBKUMLNP-QFIPXVFZSA-N 1 2 391.515 4.054 40 0 GIABLO Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020042965 570237002 /nfs/dbraw/zinc/23/70/02/570237002.db2.gz HSXAYZHHAWDFSO-YVWYTEFXSA-N 1 2 392.543 4.237 40 0 GIABLO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020049881 570238043 /nfs/dbraw/zinc/23/80/43/570238043.db2.gz XAGBRFZIJRUOGE-QHCPKHFHSA-N 1 2 396.531 4.045 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N2CCCCCC2)cc1 ZINC000072216711 570317848 /nfs/dbraw/zinc/31/78/48/570317848.db2.gz CMWMYOSKVDFQRL-OAQYLSRUSA-N 1 2 399.560 4.296 40 0 GIABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N3CCCCC3)c(C)c2)cc1 ZINC000072219170 570318327 /nfs/dbraw/zinc/31/83/27/570318327.db2.gz BZBOGKWLDRUPAI-NRFANRHFSA-N 1 2 399.560 4.215 40 0 GIABLO CCCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669927 570367364 /nfs/dbraw/zinc/36/73/64/570367364.db2.gz CKRACWACEKFQES-LJQANCHMSA-N 1 2 388.535 4.011 40 0 GIABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](CC(C)C)c2nnnn2C(C)C)CC1 ZINC000057670215 570367978 /nfs/dbraw/zinc/36/79/78/570367978.db2.gz YAWXAANGTKDJAO-LJQANCHMSA-N 1 2 390.963 4.125 40 0 GIABLO COc1ccc([C@H]2C[C@@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000031430375 570504671 /nfs/dbraw/zinc/50/46/71/570504671.db2.gz CBYNWEMJTGYPFZ-JPYJTQIMSA-N 1 2 397.471 4.159 40 0 GIABLO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000035291770 570551261 /nfs/dbraw/zinc/55/12/61/570551261.db2.gz ZGGMLIYXJDISFJ-UHFFFAOYSA-N 1 2 398.894 4.043 40 0 GIABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccccc1Cl ZINC000001221536 570564140 /nfs/dbraw/zinc/56/41/40/570564140.db2.gz BDRNCXWBBHUMHV-UHFFFAOYSA-N 1 2 395.875 4.200 40 0 GIABLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1OCC ZINC000044905664 570641983 /nfs/dbraw/zinc/64/19/83/570641983.db2.gz SGXZDNLRONUBDB-QGZVFWFLSA-N 1 2 393.487 4.220 40 0 GIABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCC[N@@H+]2Cc2ccncc2C)n1 ZINC000257299842 570778118 /nfs/dbraw/zinc/77/81/18/570778118.db2.gz RRVGHAAVNDRCQY-FQEVSTJZSA-N 1 2 377.492 4.487 40 0 GIABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCC[N@H+]2Cc2ccncc2C)n1 ZINC000257299842 570778122 /nfs/dbraw/zinc/77/81/22/570778122.db2.gz RRVGHAAVNDRCQY-FQEVSTJZSA-N 1 2 377.492 4.487 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306143938 570946425 /nfs/dbraw/zinc/94/64/25/570946425.db2.gz YRGKKANZQLVBBM-QFBILLFUSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306143938 570946429 /nfs/dbraw/zinc/94/64/29/570946429.db2.gz YRGKKANZQLVBBM-QFBILLFUSA-N 1 2 387.551 4.232 40 0 GIABLO COc1nc2cc(C)ccc2cc1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000019234262 570965091 /nfs/dbraw/zinc/96/50/91/570965091.db2.gz ZOVWSZGHYUTRPT-OAQYLSRUSA-N 1 2 377.488 4.128 40 0 GIABLO COc1nc2cc(C)ccc2cc1C[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000019234262 570965094 /nfs/dbraw/zinc/96/50/94/570965094.db2.gz ZOVWSZGHYUTRPT-OAQYLSRUSA-N 1 2 377.488 4.128 40 0 GIABLO CN1CC[NH+]([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)c2ccccn2)CC1 ZINC000019368225 570980203 /nfs/dbraw/zinc/98/02/03/570980203.db2.gz KSPPFVMBFSONKS-RUZDIDTESA-N 1 2 398.510 4.277 40 0 GIABLO CCn1cc(C[C@@H](C)NC(=O)c2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000019524800 570996850 /nfs/dbraw/zinc/99/68/50/570996850.db2.gz NDTOXOILYCKLEQ-GOSISDBHSA-N 1 2 386.499 4.267 40 0 GIABLO Cc1[nH+]c(C2(C)CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c2sccn12 ZINC000585182414 570999546 /nfs/dbraw/zinc/99/95/46/570999546.db2.gz NSUSOFYUCZIZEI-UHFFFAOYSA-N 1 2 392.528 4.308 40 0 GIABLO Clc1ccc(-n2cc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019662910 571026666 /nfs/dbraw/zinc/02/66/66/571026666.db2.gz IQPGAMMPEVVWBA-NRFANRHFSA-N 1 2 382.895 4.102 40 0 GIABLO Clc1ccc(-n2cc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019662910 571026670 /nfs/dbraw/zinc/02/66/70/571026670.db2.gz IQPGAMMPEVVWBA-NRFANRHFSA-N 1 2 382.895 4.102 40 0 GIABLO Nc1ccc(-c2ccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)nc2)c[nH+]1 ZINC000019691765 571029632 /nfs/dbraw/zinc/02/96/32/571029632.db2.gz DOHSHJARQULHDZ-JOCHJYFZSA-N 1 2 397.482 4.113 40 0 GIABLO Cc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c1C ZINC000329065631 212094535 /nfs/dbraw/zinc/09/45/35/212094535.db2.gz XSVDUPNQRJUZPS-OAQYLSRUSA-N 1 2 376.504 4.355 40 0 GIABLO Cc1nc2cc(Nc3cc(-c4ccccc4)[nH+]c(NC(C)C)n3)ccc2s1 ZINC000329005355 212092053 /nfs/dbraw/zinc/09/20/53/212092053.db2.gz KYDUGBLQZCAPEX-UHFFFAOYSA-N 1 2 375.501 4.469 40 0 GIABLO CCCc1[nH+]c2cc(NC(=O)c3c(C)onc3-c3ccncc3)ccc2n1C ZINC000012147380 221159683 /nfs/dbraw/zinc/15/96/83/221159683.db2.gz WLMBUJFKTPGICV-UHFFFAOYSA-N 1 2 375.432 4.137 40 0 GIABLO COc1ccccc1C[N@@H+](Cc1coc2ccc(C)cc2c1=O)C[C@@H]1CCCO1 ZINC000012187553 221164835 /nfs/dbraw/zinc/16/48/35/221164835.db2.gz WEINLTULGGUSGH-FQEVSTJZSA-N 1 2 393.483 4.291 40 0 GIABLO COc1ccccc1C[N@H+](Cc1coc2ccc(C)cc2c1=O)C[C@@H]1CCCO1 ZINC000012187553 221164837 /nfs/dbraw/zinc/16/48/37/221164837.db2.gz WEINLTULGGUSGH-FQEVSTJZSA-N 1 2 393.483 4.291 40 0 GIABLO CCOc1ccccc1CCCNC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219861635 136204360 /nfs/dbraw/zinc/20/43/60/136204360.db2.gz BKUGQHWCZGAWQL-UHFFFAOYSA-N 1 2 380.532 4.359 40 0 GIABLO CCOc1cccc2sc(NC(=O)Cn3c(CC)[nH+]c4ccccc43)nc21 ZINC000035316944 221817290 /nfs/dbraw/zinc/81/72/90/221817290.db2.gz QYZBTCOEUJPREI-UHFFFAOYSA-N 1 2 380.473 4.246 40 0 GIABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378961 222245789 /nfs/dbraw/zinc/24/57/89/222245789.db2.gz JKZRBKZAEHGONY-HXUWFJFHSA-N 1 2 388.515 4.169 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@H+]3[C@H]1[C@@H]1Nc3ccccc3S1)S2 ZINC000073351363 222270895 /nfs/dbraw/zinc/27/08/95/222270895.db2.gz SKSITQFSDMBHNB-OMQSBVIBSA-N 1 2 383.542 4.264 40 0 GIABLO c1ccc2c(c1)N[C@@H]([C@@H]1O[C@H]3CCC[N@@H+]3[C@H]1[C@@H]1Nc3ccccc3S1)S2 ZINC000073351363 222270897 /nfs/dbraw/zinc/27/08/97/222270897.db2.gz SKSITQFSDMBHNB-OMQSBVIBSA-N 1 2 383.542 4.264 40 0 GIABLO CCCc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc2c1 ZINC000013563076 535426962 /nfs/dbraw/zinc/42/69/62/535426962.db2.gz WGUVLYWBKUMLNP-JOCHJYFZSA-N 1 2 391.515 4.054 40 0 GIABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288884 560033734 /nfs/dbraw/zinc/03/37/34/560033734.db2.gz GOMHTPLPWCVBEK-GJZGRUSLSA-N 1 2 391.462 4.096 40 0 biogenic,in-vitro GIABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288884 560033735 /nfs/dbraw/zinc/03/37/35/560033735.db2.gz GOMHTPLPWCVBEK-GJZGRUSLSA-N 1 2 391.462 4.096 40 0 biogenic,in-vitro GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329012058 570212013 /nfs/dbraw/zinc/21/20/13/570212013.db2.gz MIELKSRGWRIELM-OAHLLOKOSA-N 1 2 398.404 4.106 40 0 GIABLO Fc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329011523 570212329 /nfs/dbraw/zinc/21/23/29/570212329.db2.gz MGJWVJYCKFPKPG-UHFFFAOYSA-N 1 2 376.479 4.483 40 0 GIABLO Brc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000329068289 570216471 /nfs/dbraw/zinc/21/64/71/570216471.db2.gz YONXAHDEPMEIDG-UHFFFAOYSA-N 1 2 395.304 4.414 40 0 GIABLO Brc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000329068289 570216473 /nfs/dbraw/zinc/21/64/73/570216473.db2.gz YONXAHDEPMEIDG-UHFFFAOYSA-N 1 2 395.304 4.414 40 0 GIABLO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585268804 570235130 /nfs/dbraw/zinc/23/51/30/570235130.db2.gz XLIXNLSUKWMQOT-IBGZPJMESA-N 1 2 378.501 4.436 40 0 GIABLO Cc1cccnc1C[N@H+]1CCC[C@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585268804 570235135 /nfs/dbraw/zinc/23/51/35/570235135.db2.gz XLIXNLSUKWMQOT-IBGZPJMESA-N 1 2 378.501 4.436 40 0 GIABLO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020049878 570238072 /nfs/dbraw/zinc/23/80/72/570238072.db2.gz XAGBRFZIJRUOGE-HSZRJFAPSA-N 1 2 396.531 4.045 40 0 GIABLO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020459063 570259912 /nfs/dbraw/zinc/25/99/12/570259912.db2.gz DHIMXTGQVYKKGM-HSZRJFAPSA-N 1 2 385.467 4.499 40 0 GIABLO CC(C)c1ccccc1O[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000216356916 570299767 /nfs/dbraw/zinc/29/97/67/570299767.db2.gz BGSRTLRXOPXVEK-VZOQVYJPSA-N 1 2 392.543 4.435 40 0 GIABLO CC(C)c1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000219249471 570350298 /nfs/dbraw/zinc/35/02/98/570350298.db2.gz KPGSAQVDIAADOE-UHFFFAOYSA-N 1 2 380.532 4.005 40 0 GIABLO COc1cccc(CC[N@@H+]2CCOc3nc4c(C)ccc(C)c4cc3C2)c1OC ZINC000057718886 570370820 /nfs/dbraw/zinc/37/08/20/570370820.db2.gz OJMJKYDIVXLXRZ-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO COc1cccc(CC[N@H+]2CCOc3nc4c(C)ccc(C)c4cc3C2)c1OC ZINC000057718886 570370827 /nfs/dbraw/zinc/37/08/27/570370827.db2.gz OJMJKYDIVXLXRZ-UHFFFAOYSA-N 1 2 392.499 4.306 40 0 GIABLO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019212 570437506 /nfs/dbraw/zinc/43/75/06/570437506.db2.gz HEMWXAQKFFPUHF-XMMPIXPASA-N 1 2 392.543 4.279 40 0 GIABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(Br)c1 ZINC000225452651 570575418 /nfs/dbraw/zinc/57/54/18/570575418.db2.gz AQRXAIYRIHIIFL-UHFFFAOYSA-N 1 2 387.306 4.121 40 0 GIABLO COc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCC(C)CC2)cc1OC ZINC000004847694 570634297 /nfs/dbraw/zinc/63/42/97/570634297.db2.gz ZLDIGDJIYQDJDF-OAQYLSRUSA-N 1 2 399.539 4.017 40 0 GIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000044846874 570635180 /nfs/dbraw/zinc/63/51/80/570635180.db2.gz DMKMKFCGAHILGU-UHFFFAOYSA-N 1 2 383.451 4.381 40 0 GIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000044904039 570641334 /nfs/dbraw/zinc/64/13/34/570641334.db2.gz XISGSWAAGYKHLE-UHFFFAOYSA-N 1 2 383.451 4.381 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306143937 570946408 /nfs/dbraw/zinc/94/64/08/570946408.db2.gz YRGKKANZQLVBBM-LPHOPBHVSA-N 1 2 387.551 4.232 40 0 GIABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306143937 570946411 /nfs/dbraw/zinc/94/64/11/570946411.db2.gz YRGKKANZQLVBBM-LPHOPBHVSA-N 1 2 387.551 4.232 40 0 GIABLO c1ccc(-c2cnc3c(c2)[C@H]([NH2+]C2CC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019374051 570981638 /nfs/dbraw/zinc/98/16/38/570981638.db2.gz NWPLIXNBSRFXGW-HXUWFJFHSA-N 1 2 398.495 4.166 40 0 GIABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3ccc(C(C)C)cc3)ncc2C1 ZINC000019453266 570986347 /nfs/dbraw/zinc/98/63/47/570986347.db2.gz FSHCJJLJJOMQCF-HSZRJFAPSA-N 1 2 392.547 4.232 40 0 GIABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3ccc(C(C)C)cc3)ncc2C1 ZINC000019453266 570986349 /nfs/dbraw/zinc/98/63/49/570986349.db2.gz FSHCJJLJJOMQCF-HSZRJFAPSA-N 1 2 392.547 4.232 40 0 GIABLO C[C@H](CC(=O)N1CCC(c2onc3c2C[C@H](C(C)(C)C)CC3)CC1)n1cc[nH+]c1 ZINC000019455118 570986648 /nfs/dbraw/zinc/98/66/48/570986648.db2.gz CDHIAGYAFZYRON-SJLPKXTDSA-N 1 2 398.551 4.379 40 0 GIABLO COc1ccc([C@@H]2[NH2+][C@H](c3ccccn3)Cc3cc(OC)c(OC)cc32)cc1 ZINC000019557800 571003910 /nfs/dbraw/zinc/00/39/10/571003910.db2.gz MIEWNDFWZMLDSB-REWPJTCUSA-N 1 2 376.456 4.084 40 0 GIABLO CCn1c(C)[nH+]c2cc(NC(=O)C3(c4ccc(C)cc4)CCOCC3)ccc21 ZINC000019657451 571023781 /nfs/dbraw/zinc/02/37/81/571023781.db2.gz CFSVDEASKNJXCZ-UHFFFAOYSA-N 1 2 377.488 4.360 40 0 GIABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2F)c1 ZINC000019718457 571041252 /nfs/dbraw/zinc/04/12/52/571041252.db2.gz XVMFIFDUWQSYSR-HNNXBMFYSA-N 1 2 391.450 4.182 40 0 GIABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328992604 212091888 /nfs/dbraw/zinc/09/18/88/212091888.db2.gz IXQFIWGXNWUQIP-IBGZPJMESA-N 1 2 394.544 4.460 40 0 GIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329048372 212095248 /nfs/dbraw/zinc/09/52/48/212095248.db2.gz UJQNNJLPWFPRCE-LJQANCHMSA-N 1 2 384.430 4.016 40 0 GIABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000012143605 221159023 /nfs/dbraw/zinc/15/90/23/221159023.db2.gz VMAUWDCIMOGKLJ-OAQYLSRUSA-N 1 2 387.487 4.283 40 0 GIABLO COc1ccc(C[N@@H+](Cc2[nH]c3ccccc3c2Cl)C[C@H](C)O)cc1OC ZINC000012185571 221163857 /nfs/dbraw/zinc/16/38/57/221163857.db2.gz YVJGWTZAKJHIND-AWEZNQCLSA-N 1 2 388.895 4.222 40 0 GIABLO COc1ccc(C[N@H+](Cc2[nH]c3ccccc3c2Cl)C[C@H](C)O)cc1OC ZINC000012185571 221163858 /nfs/dbraw/zinc/16/38/58/221163858.db2.gz YVJGWTZAKJHIND-AWEZNQCLSA-N 1 2 388.895 4.222 40 0 GIABLO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000057712348 136153938 /nfs/dbraw/zinc/15/39/38/136153938.db2.gz KREHPDKTZHXQRX-UHFFFAOYSA-N 1 2 379.891 4.254 40 0 GIABLO CCOc1ccc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1OCC ZINC000219860397 136204365 /nfs/dbraw/zinc/20/43/65/136204365.db2.gz GHNNGHKQAYZUIH-UHFFFAOYSA-N 1 2 396.531 4.325 40 0 GIABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000057720113 222035962 /nfs/dbraw/zinc/03/59/62/222035962.db2.gz OYNFLOAXQMPSGD-HXUWFJFHSA-N 1 2 395.547 4.323 40 0 GIABLO CCCCOc1ccc(NC(=O)C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000057720113 222035967 /nfs/dbraw/zinc/03/59/67/222035967.db2.gz OYNFLOAXQMPSGD-HXUWFJFHSA-N 1 2 395.547 4.323 40 0 GIABLO CCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329018367 570212481 /nfs/dbraw/zinc/21/24/81/570212481.db2.gz NQXXPRJDGZUCSE-UHFFFAOYSA-N 1 2 390.331 4.411 40 0 GIABLO Clc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329022096 570213467 /nfs/dbraw/zinc/21/34/67/570213467.db2.gz OJZPBCWUCUQWHH-UHFFFAOYSA-N 1 2 379.895 4.002 40 0 GIABLO CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329043034 570214408 /nfs/dbraw/zinc/21/44/08/570214408.db2.gz SPPYSXAONFNFCJ-UHFFFAOYSA-N 1 2 375.259 4.175 40 0 GIABLO Clc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000329068658 570216439 /nfs/dbraw/zinc/21/64/39/570216439.db2.gz YRMZPRDOXAUNST-UHFFFAOYSA-N 1 2 393.922 4.393 40 0 GIABLO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585268806 570235045 /nfs/dbraw/zinc/23/50/45/570235045.db2.gz XLIXNLSUKWMQOT-LJQANCHMSA-N 1 2 378.501 4.436 40 0 GIABLO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1csc(NC(=O)c2ccccc2)n1 ZINC000585268806 570235051 /nfs/dbraw/zinc/23/50/51/570235051.db2.gz XLIXNLSUKWMQOT-LJQANCHMSA-N 1 2 378.501 4.436 40 0 GIABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000216416719 570300872 /nfs/dbraw/zinc/30/08/72/570300872.db2.gz IKHVRDOWXKWNJX-AIADIJKESA-N 1 2 396.556 4.033 40 0 GIABLO Cc1cc(N2CCCCC2)[nH+]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072219260 570318034 /nfs/dbraw/zinc/31/80/34/570318034.db2.gz XDIKLKOCLOMCRG-UHFFFAOYSA-N 1 2 375.513 4.258 40 0 GIABLO Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219370 570318163 /nfs/dbraw/zinc/31/81/63/570318163.db2.gz SHXXIGPCYCAJMA-NRFANRHFSA-N 1 2 395.503 4.090 40 0 GIABLO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022517017 570319619 /nfs/dbraw/zinc/31/96/19/570319619.db2.gz WFYVJLBEWMDBEK-NOENIZQJSA-N 1 2 392.543 4.318 40 0 GIABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669822 570367104 /nfs/dbraw/zinc/36/71/04/570367104.db2.gz NSXHWGWHJDYJAZ-QGZVFWFLSA-N 1 2 390.963 4.053 40 0 GIABLO COc1ccc([C@H](CC(=O)c2ccccc2)SCC[NH+]2CCOCC2)cc1 ZINC000031949294 570507609 /nfs/dbraw/zinc/50/76/09/570507609.db2.gz KWHNNNWHUCDZCS-QFIPXVFZSA-N 1 2 385.529 4.075 40 0 GIABLO COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224979869 570541534 /nfs/dbraw/zinc/54/15/34/570541534.db2.gz UYCBTQTZOQKDPN-UHFFFAOYSA-N 1 2 380.897 4.140 40 0 GIABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2C)cc1 ZINC000001346372 570572286 /nfs/dbraw/zinc/57/22/86/570572286.db2.gz UWJFBKWGYZDIEG-UHFFFAOYSA-N 1 2 389.484 4.163 40 0 GIABLO Cn1c[nH+]cc1-c1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1 ZINC000257235254 570766605 /nfs/dbraw/zinc/76/66/05/570766605.db2.gz GXBLANVFKCKNBW-NRFANRHFSA-N 1 2 383.455 4.008 40 0 GIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257331702 570782947 /nfs/dbraw/zinc/78/29/47/570782947.db2.gz XTXFDTXRPRHMFY-QFIPXVFZSA-N 1 2 396.922 4.116 40 0 GIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000257331702 570782950 /nfs/dbraw/zinc/78/29/50/570782950.db2.gz XTXFDTXRPRHMFY-QFIPXVFZSA-N 1 2 396.922 4.116 40 0 GIABLO c1csc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306124474 570936438 /nfs/dbraw/zinc/93/64/38/570936438.db2.gz BQSJUQMOACXVRR-FQEVSTJZSA-N 1 2 376.485 4.031 40 0 GIABLO c1csc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306124474 570936441 /nfs/dbraw/zinc/93/64/41/570936441.db2.gz BQSJUQMOACXVRR-FQEVSTJZSA-N 1 2 376.485 4.031 40 0 GIABLO CC[N@H+](CCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000057413605 570983306 /nfs/dbraw/zinc/98/33/06/570983306.db2.gz HJLCZESTYAIEOZ-UHFFFAOYSA-N 1 2 382.895 4.377 40 0 GIABLO CC[N@@H+](CCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1 ZINC000057413605 570983307 /nfs/dbraw/zinc/98/33/07/570983307.db2.gz HJLCZESTYAIEOZ-UHFFFAOYSA-N 1 2 382.895 4.377 40 0 GIABLO CC(C)(C)OC(=O)N1CC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000002527362 570989053 /nfs/dbraw/zinc/98/90/53/570989053.db2.gz HQRLGBJTGDDZBM-UHFFFAOYSA-N 1 2 396.466 4.255 40 0 GIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)c(C)c1 ZINC000008702107 570990641 /nfs/dbraw/zinc/99/06/41/570990641.db2.gz NENFJAHRBDLDFW-UHFFFAOYSA-N 1 2 388.313 4.228 40 0 GIABLO Cc1c(C[N@H+](Cc2ccncc2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554510 571002488 /nfs/dbraw/zinc/00/24/88/571002488.db2.gz GGTOHXZCUGOIHN-UHFFFAOYSA-N 1 2 383.499 4.232 40 0 GIABLO Cc1c(C[N@@H+](Cc2ccncc2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554510 571002490 /nfs/dbraw/zinc/00/24/90/571002490.db2.gz GGTOHXZCUGOIHN-UHFFFAOYSA-N 1 2 383.499 4.232 40 0 GIABLO COc1ccc([C@@H]2[NH2+][C@H](c3cccnc3OC)Cc3cc(OC)ccc32)cc1 ZINC000019557808 571003839 /nfs/dbraw/zinc/00/38/39/571003839.db2.gz HRWISRKFDMIEQE-VXKWHMMOSA-N 1 2 376.456 4.084 40 0 GIABLO