smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000889976 557111950 /nfs/dbraw/zinc/11/19/50/557111950.db2.gz BVEPWOFWJJVLKF-OAQYLSRUSA-N 1 2 408.550 4.068 40 0 HIABLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719921 558258485 /nfs/dbraw/zinc/25/84/85/558258485.db2.gz VNLVEUBOPNOSGR-MRXNPFEDSA-N 1 2 422.529 4.146 40 0 HIABLO O=C(C[C@H](C(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000022468822 558491060 /nfs/dbraw/zinc/49/10/60/558491060.db2.gz RWAMIYKVYTXZSS-RUZDIDTESA-N 1 2 412.533 4.329 40 0 HIABLO COc1ccc([C@H](c2c3c(sc2NC(C)=O)CCCC3)[NH+]2CCOCC2)cc1 ZINC000020192243 558756201 /nfs/dbraw/zinc/75/62/01/558756201.db2.gz OYQKIDKWASZYOD-OAQYLSRUSA-N 1 2 400.544 4.016 40 0 HIABLO O=C(C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000033533967 558769997 /nfs/dbraw/zinc/76/99/97/558769997.db2.gz LDOORNHCUPPTPH-UHFFFAOYSA-N 1 2 412.489 4.031 40 0 HIABLO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038854612 558819197 /nfs/dbraw/zinc/81/91/97/558819197.db2.gz ZYLMFZOIBADDDW-UHFFFAOYSA-N 1 2 402.498 4.246 40 0 HIABLO Cc1csc2c([C@@H]3CCN(C(=O)c4cc(-c5ccc(F)cc5)no4)C3)[nH+]c(C)n12 ZINC000019240511 558859058 /nfs/dbraw/zinc/85/90/58/558859058.db2.gz NZVWBEAOKIJNFB-OAHLLOKOSA-N 1 2 410.474 4.436 40 0 HIABLO CCn1nc(C)c(NC(=O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)c1C ZINC000019523853 558905136 /nfs/dbraw/zinc/90/51/36/558905136.db2.gz CGMWAVJAIQZPCS-UHFFFAOYSA-N 1 2 408.546 4.016 40 0 HIABLO COc1ccc(-c2ccccc2)cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019559160 558920462 /nfs/dbraw/zinc/92/04/62/558920462.db2.gz SICXPLQHANSVMG-UHFFFAOYSA-N 1 2 417.553 4.092 40 0 HIABLO COc1ccc(-c2ccccc2)cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019559160 558920464 /nfs/dbraw/zinc/92/04/64/558920464.db2.gz SICXPLQHANSVMG-UHFFFAOYSA-N 1 2 417.553 4.092 40 0 HIABLO COc1ccc(-c2ccccc2)cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019559160 558920466 /nfs/dbraw/zinc/92/04/66/558920466.db2.gz SICXPLQHANSVMG-UHFFFAOYSA-N 1 2 417.553 4.092 40 0 HIABLO COc1ccc2c(c1)C[C@@H](c1cccnc1OC)[NH2+][C@H]2c1ccc(OC)c(OC)c1 ZINC000019562598 558923125 /nfs/dbraw/zinc/92/31/25/558923125.db2.gz VXANPFZUYFKIKM-REWPJTCUSA-N 1 2 406.482 4.092 40 0 HIABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000072350587 558947364 /nfs/dbraw/zinc/94/73/64/558947364.db2.gz OBTPVUJERFULCR-HXUWFJFHSA-N 1 2 403.530 4.125 40 0 HIABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(-n2nc(C)cc2C)c(OC)c1 ZINC000019654781 558947989 /nfs/dbraw/zinc/94/79/89/558947989.db2.gz IKIXLUCNDITXBL-UHFFFAOYSA-N 1 2 403.486 4.049 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000072358603 558954418 /nfs/dbraw/zinc/95/44/18/558954418.db2.gz SCYDCFRWNYOFDK-OAHLLOKOSA-N 1 2 413.934 4.072 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000072358603 558954422 /nfs/dbraw/zinc/95/44/22/558954422.db2.gz SCYDCFRWNYOFDK-OAHLLOKOSA-N 1 2 413.934 4.072 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378560 558967570 /nfs/dbraw/zinc/96/75/70/558967570.db2.gz XAHPVTSKONFRCU-NRFANRHFSA-N 1 2 403.530 4.472 40 0 HIABLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000019711150 558973514 /nfs/dbraw/zinc/97/35/14/558973514.db2.gz QWWOJODSCWRSJK-JOCHJYFZSA-N 1 2 421.520 4.013 40 0 HIABLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000019711150 558973517 /nfs/dbraw/zinc/97/35/17/558973517.db2.gz QWWOJODSCWRSJK-JOCHJYFZSA-N 1 2 421.520 4.013 40 0 HIABLO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053515 559093584 /nfs/dbraw/zinc/09/35/84/559093584.db2.gz OIMKMUZGQLGYIS-SFHVURJKSA-N 1 2 413.587 4.206 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260964 559110042 /nfs/dbraw/zinc/11/00/42/559110042.db2.gz PVQVHDLEEQGYHG-RUZDIDTESA-N 1 2 414.509 4.153 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260964 559110044 /nfs/dbraw/zinc/11/00/44/559110044.db2.gz PVQVHDLEEQGYHG-RUZDIDTESA-N 1 2 414.509 4.153 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000000889601 560542138 /nfs/dbraw/zinc/54/21/38/560542138.db2.gz ZDKPRBXGFMYHML-QFIPXVFZSA-N 1 2 420.561 4.212 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000888940 560542315 /nfs/dbraw/zinc/54/23/15/560542315.db2.gz VLQUNGOPVYTLSB-JOCHJYFZSA-N 1 2 420.561 4.150 40 0 HIABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccccc3)c2)N2NC=NC2=[NH+]1 ZINC000409183134 560688707 /nfs/dbraw/zinc/68/87/07/560688707.db2.gz QEGMCEKSCFWSNI-JOCHJYFZSA-N 1 2 418.497 4.142 40 0 HIABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccccc3)c2)N2NC=[NH+]C2=N1 ZINC000409183134 560688709 /nfs/dbraw/zinc/68/87/09/560688709.db2.gz QEGMCEKSCFWSNI-JOCHJYFZSA-N 1 2 418.497 4.142 40 0 HIABLO CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670606 568494751 /nfs/dbraw/zinc/49/47/51/568494751.db2.gz JTWIFKPBMCWPDC-JOCHJYFZSA-N 1 2 404.562 4.002 40 0 HIABLO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223137446 568539155 /nfs/dbraw/zinc/53/91/55/568539155.db2.gz NCKSIOCCYAJAGZ-CLNPQZTCSA-N 1 2 404.554 4.190 40 0 HIABLO Cc1ccnc(Nc2cccc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)n2)c1 ZINC000257232630 568785606 /nfs/dbraw/zinc/78/56/06/568785606.db2.gz GLRYKGWASZFOAX-UHFFFAOYSA-N 1 2 419.504 4.486 40 0 HIABLO Cc1cc(CC2CCN(C(=O)C(O)(c3ccccc3)c3ccccc3)CC2)cc[nH+]1 ZINC000257253792 568791426 /nfs/dbraw/zinc/79/14/26/568791426.db2.gz KAIAAJSJRWHCOB-UHFFFAOYSA-N 1 2 400.522 4.107 40 0 HIABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC(c3ccnc(Nc4ccccn4)c3)CC2)c1 ZINC000257278322 568798145 /nfs/dbraw/zinc/79/81/45/568798145.db2.gz OBUFOKCFYBFDJL-UHFFFAOYSA-N 1 2 419.504 4.486 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(Nc3cccc(C)n3)n2)C1 ZINC000257304551 568805955 /nfs/dbraw/zinc/80/59/55/568805955.db2.gz SMDXZLDNJPNZKV-JOCHJYFZSA-N 1 2 420.561 4.496 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(Nc3cccc(C)n3)n2)C1 ZINC000257304551 568805956 /nfs/dbraw/zinc/80/59/56/568805956.db2.gz SMDXZLDNJPNZKV-JOCHJYFZSA-N 1 2 420.561 4.496 40 0 HIABLO O=C(c1cccc(NCc2cccnc2)c1)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257326577 568812204 /nfs/dbraw/zinc/81/22/04/568812204.db2.gz WXSCKVVTTIEKJB-QHCPKHFHSA-N 1 2 424.508 4.252 40 0 HIABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000257336333 568815078 /nfs/dbraw/zinc/81/50/78/568815078.db2.gz YNZQLZCXEYQIAK-HSZRJFAPSA-N 1 2 410.949 4.250 40 0 HIABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000257336333 568815080 /nfs/dbraw/zinc/81/50/80/568815080.db2.gz YNZQLZCXEYQIAK-HSZRJFAPSA-N 1 2 410.949 4.250 40 0 HIABLO CCNc1nc(Nc2cccc(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328955854 568969621 /nfs/dbraw/zinc/96/96/21/568969621.db2.gz ACYZJYSOPHVLNY-UHFFFAOYSA-N 1 2 404.392 4.070 40 0 HIABLO CC[C@H](C)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965975 568970028 /nfs/dbraw/zinc/97/00/28/568970028.db2.gz CHPOLIPLQZLXHN-ZDUSSCGKSA-N 1 2 406.408 4.302 40 0 HIABLO CC[C@@H](C)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965974 568970089 /nfs/dbraw/zinc/97/00/89/568970089.db2.gz CHPOLIPLQZLXHN-CYBMUJFWSA-N 1 2 406.408 4.302 40 0 HIABLO CCNc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329035473 568973973 /nfs/dbraw/zinc/97/39/73/568973973.db2.gz RFCXIXPHWQPPPZ-UHFFFAOYSA-N 1 2 406.383 4.069 40 0 HIABLO Cc1cc(C)cc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000008433917 569341032 /nfs/dbraw/zinc/34/10/32/569341032.db2.gz UTTFDTYCMPNIHH-UHFFFAOYSA-N 1 2 416.521 4.488 40 0 HIABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329039094 571305550 /nfs/dbraw/zinc/30/55/50/571305550.db2.gz RUZAMDGCCSTWMA-KRWDZBQOSA-N 1 2 405.340 4.597 40 0 HIABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000328978354 571305655 /nfs/dbraw/zinc/30/56/55/571305655.db2.gz FXVJOQFGFHBFAH-UHFFFAOYSA-N 1 2 413.319 4.752 40 0 HIABLO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-c3cncnc3)nc2)no1 ZINC000049155307 291269177 /nfs/dbraw/zinc/26/91/77/291269177.db2.gz IBZHKHJNWXJVAB-FQEVSTJZSA-N 1 2 402.433 4.065 40 0 biogenic,in-vitro HIABLO Fc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-c3cncnc3)nc2)no1 ZINC000049155307 291269181 /nfs/dbraw/zinc/26/91/81/291269181.db2.gz IBZHKHJNWXJVAB-FQEVSTJZSA-N 1 2 402.433 4.065 40 0 biogenic,in-vitro HIABLO O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044915912 527410897 /nfs/dbraw/zinc/41/08/97/527410897.db2.gz PLEAWRWOTKLLEH-UHFFFAOYSA-N 1 2 400.478 4.002 40 0 HIABLO CCC[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035313881 557689674 /nfs/dbraw/zinc/68/96/74/557689674.db2.gz SIJQXPMBOJLXBB-LJQANCHMSA-N 1 2 416.982 4.100 40 0 HIABLO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@H](c3ccco3)c3ccccc3)cc12 ZINC000012186461 558345746 /nfs/dbraw/zinc/34/57/46/558345746.db2.gz GJMXNASKRUNKHO-QHCPKHFHSA-N 1 2 410.477 4.494 40 0 HIABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000012240805 558360351 /nfs/dbraw/zinc/36/03/51/558360351.db2.gz MVMHVCJXRSKPRI-HSZRJFAPSA-N 1 2 404.514 4.160 40 0 HIABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000012240805 558360353 /nfs/dbraw/zinc/36/03/53/558360353.db2.gz MVMHVCJXRSKPRI-HSZRJFAPSA-N 1 2 404.514 4.160 40 0 HIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022526563 558495835 /nfs/dbraw/zinc/49/58/35/558495835.db2.gz KASUYHDQTUHRGE-UHFFFAOYSA-N 1 2 408.505 4.365 40 0 HIABLO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473188 558559172 /nfs/dbraw/zinc/55/91/72/558559172.db2.gz JYKLCIWIECNPRF-RUZDIDTESA-N 1 2 416.565 4.142 40 0 HIABLO COc1ccccc1[C@H](c1c2c(sc1NC(C)=O)CCCC2)[NH+]1CCOCC1 ZINC000020192279 558756251 /nfs/dbraw/zinc/75/62/51/558756251.db2.gz YWKKJTFQUKAJGO-OAQYLSRUSA-N 1 2 400.544 4.016 40 0 HIABLO O=C(/C=C\c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033290964 558765472 /nfs/dbraw/zinc/76/54/72/558765472.db2.gz DBXFMQNJWDFZCJ-UTCJRWHESA-N 1 2 419.308 4.080 40 0 HIABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000035291772 558789514 /nfs/dbraw/zinc/78/95/14/558789514.db2.gz YDVQNGQLEIURCU-UHFFFAOYSA-N 1 2 412.921 4.433 40 0 HIABLO CC(C)[C@H](NC(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)OCCCO2 ZINC000019445845 558885969 /nfs/dbraw/zinc/88/59/69/558885969.db2.gz RFJLRRGNXRYSKC-QHCPKHFHSA-N 1 2 405.498 4.220 40 0 HIABLO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1cc(C)nn1Cc1cccnc1 ZINC000019525498 558906697 /nfs/dbraw/zinc/90/66/97/558906697.db2.gz BUTUDVSNXRBVAK-KRWDZBQOSA-N 1 2 402.502 4.137 40 0 HIABLO CCOc1cc([C@@H]2[NH2+][C@H](c3cccnc3OC)Cc3cc(OC)ccc32)ccc1OC ZINC000019532173 558912456 /nfs/dbraw/zinc/91/24/56/558912456.db2.gz HZVIEUYKFLOGRA-URXFXBBRSA-N 1 2 420.509 4.483 40 0 HIABLO COc1ccc(CCC(=O)N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378489 558967549 /nfs/dbraw/zinc/96/75/49/558967549.db2.gz VRUPUDFMBWKJKY-OAQYLSRUSA-N 1 2 419.529 4.091 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379029 558967782 /nfs/dbraw/zinc/96/77/82/558967782.db2.gz IDGYIVOILSVYOC-IBGZPJMESA-N 1 2 404.514 4.176 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260962 559110096 /nfs/dbraw/zinc/11/00/96/559110096.db2.gz PDUDREDMCHMTPC-RUZDIDTESA-N 1 2 414.509 4.153 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260962 559110098 /nfs/dbraw/zinc/11/00/98/559110098.db2.gz PDUDREDMCHMTPC-RUZDIDTESA-N 1 2 414.509 4.153 40 0 HIABLO Cn1c[nH+]c(CN2CCC[C@@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)c1 ZINC000585295191 559138440 /nfs/dbraw/zinc/13/84/40/559138440.db2.gz PCCMVXRIMKIHJB-QGZVFWFLSA-N 1 2 401.923 4.119 40 0 HIABLO Cc1nc(C[N@H+](C)CCCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000072380179 559186864 /nfs/dbraw/zinc/18/68/64/559186864.db2.gz XNUJBDFCGCNZGD-UHFFFAOYSA-N 1 2 414.553 4.329 40 0 HIABLO Cc1nc(C[N@@H+](C)CCCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000072380179 559186865 /nfs/dbraw/zinc/18/68/65/559186865.db2.gz XNUJBDFCGCNZGD-UHFFFAOYSA-N 1 2 414.553 4.329 40 0 HIABLO CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320881 560077752 /nfs/dbraw/zinc/07/77/52/560077752.db2.gz KJMAIZGIZUCUKT-UFYCRDLUSA-N 1 2 417.557 4.190 40 0 biogenic,in-vitro HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000000891748 560542983 /nfs/dbraw/zinc/54/29/83/560542983.db2.gz ZWGSCYDEHJQSIT-QFIPXVFZSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000004160679 560601574 /nfs/dbraw/zinc/60/15/74/560601574.db2.gz LAAFHHBNLPPFHU-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000004160679 560601575 /nfs/dbraw/zinc/60/15/75/560601575.db2.gz LAAFHHBNLPPFHU-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO CCOC(=O)c1c(NC(=O)[C@@H](C)CC)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000014162685 560839370 /nfs/dbraw/zinc/83/93/70/560839370.db2.gz PNWHRGYOLRVLJK-HNNXBMFYSA-N 1 2 400.544 4.468 40 0 HIABLO CCOC(=O)c1c(NC(=O)[C@@H](C)CC)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000014162685 560839371 /nfs/dbraw/zinc/83/93/71/560839371.db2.gz PNWHRGYOLRVLJK-HNNXBMFYSA-N 1 2 400.544 4.468 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000020139275 560880988 /nfs/dbraw/zinc/88/09/88/560880988.db2.gz YDUSAPIFDYWZKS-QHCPKHFHSA-N 1 2 418.589 4.265 40 0 HIABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670772 568494893 /nfs/dbraw/zinc/49/48/93/568494893.db2.gz FVIBEXRWDQODSS-HSZRJFAPSA-N 1 2 422.552 4.141 40 0 HIABLO Cc1ccc([NH+]2CCC(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000219866469 568499495 /nfs/dbraw/zinc/49/94/95/568499495.db2.gz LQPDJFIQWRHIPZ-UHFFFAOYSA-N 1 2 404.514 4.228 40 0 HIABLO Cc1nnc(Nc2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257237913 568786927 /nfs/dbraw/zinc/78/69/27/568786927.db2.gz HITXKRKLVZTBSB-FQEVSTJZSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1nnc(Nc2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257237913 568786929 /nfs/dbraw/zinc/78/69/29/568786929.db2.gz HITXKRKLVZTBSB-FQEVSTJZSA-N 1 2 418.526 4.107 40 0 HIABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257238087 568787089 /nfs/dbraw/zinc/78/70/89/568787089.db2.gz HJMZSUJGZDAMPM-QFIPXVFZSA-N 1 2 408.521 4.406 40 0 HIABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257238087 568787092 /nfs/dbraw/zinc/78/70/92/568787092.db2.gz HJMZSUJGZDAMPM-QFIPXVFZSA-N 1 2 408.521 4.406 40 0 HIABLO CO[C@@H]1C[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@]12CCCO2 ZINC000257293064 568802439 /nfs/dbraw/zinc/80/24/39/568802439.db2.gz QNZGBIUXYAAOKX-FYYLOGMGSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@]12CCCO2 ZINC000257293064 568802440 /nfs/dbraw/zinc/80/24/40/568802440.db2.gz QNZGBIUXYAAOKX-FYYLOGMGSA-N 1 2 410.539 4.086 40 0 HIABLO Cc1[nH+]c2c(C)cccn2c1CN1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257305195 568806134 /nfs/dbraw/zinc/80/61/34/568806134.db2.gz SOVOOPSPJMKBEB-NRFANRHFSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)s1 ZINC000257343018 568817076 /nfs/dbraw/zinc/81/70/76/568817076.db2.gz ZRBVLBHNAXLVQR-QGZVFWFLSA-N 1 2 401.561 4.237 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)s1 ZINC000257343018 568817079 /nfs/dbraw/zinc/81/70/79/568817079.db2.gz ZRBVLBHNAXLVQR-QGZVFWFLSA-N 1 2 401.561 4.237 40 0 HIABLO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ncc(Cc3ccccc3F)s1)CC2 ZINC000257343743 568817274 /nfs/dbraw/zinc/81/72/74/568817274.db2.gz ZUFUTFIMWMHHMG-UHFFFAOYSA-N 1 2 417.550 4.093 40 0 HIABLO C[C@@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328956969 568969514 /nfs/dbraw/zinc/96/95/14/568969514.db2.gz AHPDMAXIRLBCST-ZDUSSCGKSA-N 1 2 420.460 4.136 40 0 HIABLO FC(F)(F)c1cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)ccc1Br ZINC000328961088 568969774 /nfs/dbraw/zinc/96/97/74/568969774.db2.gz BBLQMFCHLDGOBX-UHFFFAOYSA-N 1 2 413.241 4.297 40 0 HIABLO OCCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328971271 568970461 /nfs/dbraw/zinc/97/04/61/568970461.db2.gz DPLNWNWLRQLCHP-UHFFFAOYSA-N 1 2 420.460 4.137 40 0 HIABLO OCCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329027058 568973464 /nfs/dbraw/zinc/97/34/64/568973464.db2.gz PQRYVQKQWQPFKJ-UHFFFAOYSA-N 1 2 422.838 4.198 40 0 HIABLO Cc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1C ZINC000008433918 569341039 /nfs/dbraw/zinc/34/10/39/569341039.db2.gz ITWMQIXWKKWDGA-UHFFFAOYSA-N 1 2 416.521 4.488 40 0 HIABLO CC(C)(C)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063431 571304781 /nfs/dbraw/zinc/30/47/81/571304781.db2.gz XEKXJYNKYPWZDF-OAHLLOKOSA-N 1 2 410.440 4.844 40 0 HIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)ccc1Br ZINC000328966248 571307619 /nfs/dbraw/zinc/30/76/19/571307619.db2.gz CKETYUYJFLOYCW-AWEZNQCLSA-N 1 2 413.319 4.751 40 0 HIABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000035424967 291264366 /nfs/dbraw/zinc/26/43/66/291264366.db2.gz BVRLXMWGSAMTIS-SFHVURJKSA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000035424967 291264367 /nfs/dbraw/zinc/26/43/67/291264367.db2.gz BVRLXMWGSAMTIS-SFHVURJKSA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111851 291270311 /nfs/dbraw/zinc/27/03/11/291270311.db2.gz RYWHIJADWOYPPX-UNMCSNQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111851 291270312 /nfs/dbraw/zinc/27/03/12/291270312.db2.gz RYWHIJADWOYPPX-UNMCSNQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674903 291270731 /nfs/dbraw/zinc/27/07/31/291270731.db2.gz RXBUBWYNDMCRCL-WBVHZDCISA-N 1 2 423.366 4.082 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674903 291270734 /nfs/dbraw/zinc/27/07/34/291270734.db2.gz RXBUBWYNDMCRCL-WBVHZDCISA-N 1 2 423.366 4.082 40 0 biogenic,in-vitro HIABLO Cc1nc(NCCCN(C)c2ccccc2)cc(CCn2ncc3ccccc32)[nH+]1 ZINC000072373332 526831557 /nfs/dbraw/zinc/83/15/57/526831557.db2.gz QTAIKDWISJFUPQ-UHFFFAOYSA-N 1 2 400.530 4.316 40 0 HIABLO COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000408563405 557457661 /nfs/dbraw/zinc/45/76/61/557457661.db2.gz MIUJOXKKIBJJDP-NSHDSACASA-N 1 2 424.975 4.295 40 0 HIABLO COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408563405 557457662 /nfs/dbraw/zinc/45/76/62/557457662.db2.gz MIUJOXKKIBJJDP-NSHDSACASA-N 1 2 424.975 4.295 40 0 HIABLO Cc1ccc([C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000019933269 558311122 /nfs/dbraw/zinc/31/11/22/558311122.db2.gz ASWRXJRBTCJRTJ-RUZDIDTESA-N 1 2 400.522 4.347 40 0 HIABLO COc1ccc(C[N@@H+](Cc2coc3ccc(C)cc3c2=O)C[C@H]2CCCO2)c(OC)c1 ZINC000012187170 558345977 /nfs/dbraw/zinc/34/59/77/558345977.db2.gz SYWBQESRVWVBLE-OAQYLSRUSA-N 1 2 423.509 4.300 40 0 HIABLO COc1ccc(C[N@H+](Cc2coc3ccc(C)cc3c2=O)C[C@H]2CCCO2)c(OC)c1 ZINC000012187170 558345979 /nfs/dbraw/zinc/34/59/79/558345979.db2.gz SYWBQESRVWVBLE-OAQYLSRUSA-N 1 2 423.509 4.300 40 0 HIABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)NCC1(c2ccc(C)cc2)CCOCC1 ZINC000019208631 558847593 /nfs/dbraw/zinc/84/75/93/558847593.db2.gz SGCSIILQCHQYML-IBGZPJMESA-N 1 2 405.542 4.154 40 0 HIABLO COc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)cs1)OCCO2 ZINC000019240217 558858843 /nfs/dbraw/zinc/85/88/43/558858843.db2.gz VWDVUAODBZDJRN-INIZCTEOSA-N 1 2 402.541 4.366 40 0 HIABLO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccc(Cn2cncn2)cc1 ZINC000019375828 558882085 /nfs/dbraw/zinc/88/20/85/558882085.db2.gz YEKCKKIKWPPFFU-UHFFFAOYSA-N 1 2 422.492 4.240 40 0 HIABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCC[N@@H+]3Cc3cnn(C)c3)cc2N1 ZINC000019451234 558889283 /nfs/dbraw/zinc/88/92/83/558889283.db2.gz VVLDFDDGGUFRDX-CGTJXYLNSA-N 1 2 410.488 4.287 40 0 HIABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCC[N@H+]3Cc3cnn(C)c3)cc2N1 ZINC000019451234 558889285 /nfs/dbraw/zinc/88/92/85/558889285.db2.gz VVLDFDDGGUFRDX-CGTJXYLNSA-N 1 2 410.488 4.287 40 0 HIABLO CCC[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671517 558889724 /nfs/dbraw/zinc/88/97/24/558889724.db2.gz TYUCUJFOYFNFAK-HXUWFJFHSA-N 1 2 410.591 4.063 40 0 HIABLO Cc1nc(C2=CC[N@H+](Cc3c(F)cccc3Cl)CC2)nc(N2CCOCC2)c1C ZINC000072339531 558938714 /nfs/dbraw/zinc/93/87/14/558938714.db2.gz DTBQEXHTCOKOGM-UHFFFAOYSA-N 1 2 416.928 4.012 40 0 HIABLO Cc1nc(C2=CC[N@@H+](Cc3c(F)cccc3Cl)CC2)nc(N2CCOCC2)c1C ZINC000072339531 558938716 /nfs/dbraw/zinc/93/87/16/558938716.db2.gz DTBQEXHTCOKOGM-UHFFFAOYSA-N 1 2 416.928 4.012 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696781 558964506 /nfs/dbraw/zinc/96/45/06/558964506.db2.gz YUCVNXBZSKTDCJ-FQEVSTJZSA-N 1 2 417.534 4.383 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696781 558964508 /nfs/dbraw/zinc/96/45/08/558964508.db2.gz YUCVNXBZSKTDCJ-FQEVSTJZSA-N 1 2 417.534 4.383 40 0 HIABLO COc1ccc(CCC(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378488 558967465 /nfs/dbraw/zinc/96/74/65/558967465.db2.gz VRUPUDFMBWKJKY-NRFANRHFSA-N 1 2 419.529 4.091 40 0 HIABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 ZINC000072379255 558968105 /nfs/dbraw/zinc/96/81/05/558968105.db2.gz IRXLYWCBFUFUAE-IBGZPJMESA-N 1 2 404.514 4.005 40 0 HIABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257300370 559286115 /nfs/dbraw/zinc/28/61/15/559286115.db2.gz RUAOTFNEUBBDLN-SANMLTNESA-N 1 2 415.537 4.240 40 0 HIABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257300370 559286116 /nfs/dbraw/zinc/28/61/16/559286116.db2.gz RUAOTFNEUBBDLN-SANMLTNESA-N 1 2 415.537 4.240 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000005446396 560737641 /nfs/dbraw/zinc/73/76/41/560737641.db2.gz MMOCZFRILLWMBY-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000005446396 560737642 /nfs/dbraw/zinc/73/76/42/560737642.db2.gz MMOCZFRILLWMBY-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO COc1ccc(C[N@@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H]2CCCO2)cc1OC ZINC000013994178 560831564 /nfs/dbraw/zinc/83/15/64/560831564.db2.gz BEHYHENNDJCMGB-QGZVFWFLSA-N 1 2 419.905 4.267 40 0 HIABLO COc1ccc(C[N@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H]2CCCO2)cc1OC ZINC000013994178 560831566 /nfs/dbraw/zinc/83/15/66/560831566.db2.gz BEHYHENNDJCMGB-QGZVFWFLSA-N 1 2 419.905 4.267 40 0 HIABLO Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121063 560880751 /nfs/dbraw/zinc/88/07/51/560880751.db2.gz WFJGJWBQFBEELQ-XMMPIXPASA-N 1 2 413.500 4.317 40 0 HIABLO Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121063 560880753 /nfs/dbraw/zinc/88/07/53/560880753.db2.gz WFJGJWBQFBEELQ-XMMPIXPASA-N 1 2 413.500 4.317 40 0 HIABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)c1 ZINC000020121735 560880880 /nfs/dbraw/zinc/88/08/80/560880880.db2.gz PGUJJGRZRMYAPP-DEOSSOPVSA-N 1 2 416.573 4.317 40 0 HIABLO COC(=O)c1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)sc2c1CC[N@H+](C)C2 ZINC000224979146 568607325 /nfs/dbraw/zinc/60/73/25/568607325.db2.gz GUJXIGTUUOJYFB-UHFFFAOYSA-N 1 2 420.534 4.371 40 0 HIABLO COC(=O)c1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000224979146 568607327 /nfs/dbraw/zinc/60/73/27/568607327.db2.gz GUJXIGTUUOJYFB-UHFFFAOYSA-N 1 2 420.534 4.371 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1)Nc1ccccc1F ZINC000257210188 568779147 /nfs/dbraw/zinc/77/91/47/568779147.db2.gz BTPIJSQXEVLYFH-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO NC(=O)c1cccc(-c2cccc([C@@H]3C[N@H+](Cc4ccccc4Cl)CCO3)n2)c1 ZINC000257212187 568779632 /nfs/dbraw/zinc/77/96/32/568779632.db2.gz CCHHKVMKXPIWKW-QFIPXVFZSA-N 1 2 407.901 4.074 40 0 HIABLO NC(=O)c1cccc(-c2cccc([C@@H]3C[N@@H+](Cc4ccccc4Cl)CCO3)n2)c1 ZINC000257212187 568779633 /nfs/dbraw/zinc/77/96/33/568779633.db2.gz CCHHKVMKXPIWKW-QFIPXVFZSA-N 1 2 407.901 4.074 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257246563 568789243 /nfs/dbraw/zinc/78/92/43/568789243.db2.gz IURYQABOPDPRTI-NRFANRHFSA-N 1 2 424.524 4.327 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257246563 568789245 /nfs/dbraw/zinc/78/92/45/568789245.db2.gz IURYQABOPDPRTI-NRFANRHFSA-N 1 2 424.524 4.327 40 0 HIABLO O=C(C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1)Nc1c(F)cccc1F ZINC000257277593 568797756 /nfs/dbraw/zinc/79/77/56/568797756.db2.gz NYPGMRBIZQFRCV-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(Nc3cccc(C)n3)n2)C1 ZINC000257304552 568805943 /nfs/dbraw/zinc/80/59/43/568805943.db2.gz SMDXZLDNJPNZKV-QFIPXVFZSA-N 1 2 420.561 4.496 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(Nc3cccc(C)n3)n2)C1 ZINC000257304552 568805944 /nfs/dbraw/zinc/80/59/44/568805944.db2.gz SMDXZLDNJPNZKV-QFIPXVFZSA-N 1 2 420.561 4.496 40 0 HIABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000261363668 568819560 /nfs/dbraw/zinc/81/95/60/568819560.db2.gz VMOMORAARLEZKI-FQEVSTJZSA-O 1 2 409.535 4.487 40 0 HIABLO CCNc1nc(NCc2ccc(C)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329016857 568972863 /nfs/dbraw/zinc/97/28/63/568972863.db2.gz NIXXEQBXBVBTRS-UHFFFAOYSA-N 1 2 402.420 4.238 40 0 HIABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328998062 571305705 /nfs/dbraw/zinc/30/57/05/571305705.db2.gz JRWRMMWQMGBJMC-CQSZACIVSA-N 1 2 413.319 4.751 40 0 HIABLO CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000077262202 291262666 /nfs/dbraw/zinc/26/26/66/291262666.db2.gz NDGRNCICOWAOKE-ZOBUZTSGSA-N 1 2 409.983 4.163 40 0 biogenic,in-vitro HIABLO COC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CC[N@H+](C)C2 ZINC000408577145 557480115 /nfs/dbraw/zinc/48/01/15/557480115.db2.gz WWXVSMFVDXRLLZ-UHFFFAOYSA-N 1 2 418.584 4.011 40 0 HIABLO COC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CC[N@@H+](C)C2 ZINC000408577145 557480116 /nfs/dbraw/zinc/48/01/16/557480116.db2.gz WWXVSMFVDXRLLZ-UHFFFAOYSA-N 1 2 418.584 4.011 40 0 HIABLO CN(c1ccccc1)[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[NH+]1CCOCC1 ZINC000004522796 557563523 /nfs/dbraw/zinc/56/35/23/557563523.db2.gz MBXTWMZKOQXZBP-DQEYMECFSA-N 1 2 400.522 4.448 40 0 HIABLO COc1ccccc1C[N@@H+](Cc1ccc(Sc2ncccn2)o1)C[C@H]1CCCO1 ZINC000012187586 558346622 /nfs/dbraw/zinc/34/66/22/558346622.db2.gz LTBHSQJFHZRORU-GOSISDBHSA-N 1 2 411.527 4.411 40 0 HIABLO COc1ccccc1C[N@H+](Cc1ccc(Sc2ncccn2)o1)C[C@H]1CCCO1 ZINC000012187586 558346623 /nfs/dbraw/zinc/34/66/23/558346623.db2.gz LTBHSQJFHZRORU-GOSISDBHSA-N 1 2 411.527 4.411 40 0 HIABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000019116897 558842323 /nfs/dbraw/zinc/84/23/23/558842323.db2.gz ZRRDRLVNXZRDCK-QGZVFWFLSA-N 1 2 420.435 4.411 40 0 HIABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000019116897 558842324 /nfs/dbraw/zinc/84/23/24/558842324.db2.gz ZRRDRLVNXZRDCK-QGZVFWFLSA-N 1 2 420.435 4.411 40 0 HIABLO COc1ccc2c(cc(C(=O)N3CC[C@H](c4[nH+]c(C)n5c(C)csc45)C3)n2C)c1 ZINC000019240522 558859239 /nfs/dbraw/zinc/85/92/39/558859239.db2.gz DEHAINWHAGJEEG-HNNXBMFYSA-N 1 2 408.527 4.143 40 0 HIABLO COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Cn2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286714 558860602 /nfs/dbraw/zinc/86/06/02/558860602.db2.gz DKTZTNFLCYOKSA-IERDGZPVSA-N 1 2 407.514 4.362 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671509 558889720 /nfs/dbraw/zinc/88/97/20/558889720.db2.gz TYUCUJFOYFNFAK-FQEVSTJZSA-N 1 2 410.591 4.063 40 0 HIABLO CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2nccn2CC)C1 ZINC000019529194 558911103 /nfs/dbraw/zinc/91/11/03/558911103.db2.gz QKXTWWCPWSCWAX-AREMUKBSSA-N 1 2 416.569 4.141 40 0 HIABLO CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](Cc2nccn2CC)C1 ZINC000019529194 558911107 /nfs/dbraw/zinc/91/11/07/558911107.db2.gz QKXTWWCPWSCWAX-AREMUKBSSA-N 1 2 416.569 4.141 40 0 HIABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1CO ZINC000019574865 558932433 /nfs/dbraw/zinc/93/24/33/558932433.db2.gz NKNFNIKJSBTVBC-XVGQJIODSA-N 1 2 424.467 4.029 40 0 HIABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1CO ZINC000019574865 558932435 /nfs/dbraw/zinc/93/24/35/558932435.db2.gz NKNFNIKJSBTVBC-XVGQJIODSA-N 1 2 424.467 4.029 40 0 HIABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000072350588 558947356 /nfs/dbraw/zinc/94/73/56/558947356.db2.gz OBTPVUJERFULCR-FQEVSTJZSA-N 1 2 403.530 4.125 40 0 HIABLO COc1ccc(-c2ccc(OC)cc2C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000019654919 558948194 /nfs/dbraw/zinc/94/81/94/558948194.db2.gz BMDNQWGHZPPHKC-UHFFFAOYSA-N 1 2 409.511 4.068 40 0 HIABLO COc1ccc(-c2ccc(OC)cc2C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000019654919 558948196 /nfs/dbraw/zinc/94/81/96/558948196.db2.gz BMDNQWGHZPPHKC-UHFFFAOYSA-N 1 2 409.511 4.068 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)s1 ZINC000072375176 558963617 /nfs/dbraw/zinc/96/36/17/558963617.db2.gz MRSVKVAFPRRTOX-OAHLLOKOSA-N 1 2 414.560 4.131 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)s1 ZINC000072375176 558963619 /nfs/dbraw/zinc/96/36/19/558963619.db2.gz MRSVKVAFPRRTOX-OAHLLOKOSA-N 1 2 414.560 4.131 40 0 HIABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 ZINC000072375143 558963668 /nfs/dbraw/zinc/96/36/68/558963668.db2.gz SVWNJTYPUGDAIJ-NRFANRHFSA-N 1 2 417.513 4.313 40 0 HIABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 ZINC000072375143 558963669 /nfs/dbraw/zinc/96/36/69/558963669.db2.gz SVWNJTYPUGDAIJ-NRFANRHFSA-N 1 2 417.513 4.313 40 0 HIABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000072378822 558967766 /nfs/dbraw/zinc/96/77/66/558967766.db2.gz MEEXLRSNJDHDRN-UHFFFAOYSA-N 1 2 406.505 4.308 40 0 HIABLO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376849 559186630 /nfs/dbraw/zinc/18/66/30/559186630.db2.gz DTZOWCMMGXIKKE-FQEVSTJZSA-N 1 2 423.467 4.170 40 0 HIABLO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376849 559186632 /nfs/dbraw/zinc/18/66/32/559186632.db2.gz DTZOWCMMGXIKKE-FQEVSTJZSA-N 1 2 423.467 4.170 40 0 HIABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccc(Cl)cc3[nH+]2)C[C@H]1C(C)C ZINC000072321028 560077797 /nfs/dbraw/zinc/07/77/97/560077797.db2.gz HDSDJHWTDWPOSK-BQFCYCMXSA-N 1 2 403.954 4.376 40 0 biogenic,in-vitro HIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000889983 560542239 /nfs/dbraw/zinc/54/22/39/560542239.db2.gz FRAGAWAAFBWWQL-QFIPXVFZSA-N 1 2 420.561 4.212 40 0 HIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000893291 560543143 /nfs/dbraw/zinc/54/31/43/560543143.db2.gz NNERKTPYRFKDPL-QFIPXVFZSA-N 1 2 420.561 4.013 40 0 HIABLO CCc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(OC)cc1 ZINC000001346598 560576492 /nfs/dbraw/zinc/57/64/92/560576492.db2.gz UAHRNUZCFFKABK-UHFFFAOYSA-N 1 2 419.510 4.117 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000004160708 560601581 /nfs/dbraw/zinc/60/15/81/560601581.db2.gz FIFIQUODPRGWMZ-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc12 ZINC000004160708 560601582 /nfs/dbraw/zinc/60/15/82/560601582.db2.gz FIFIQUODPRGWMZ-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO c1ccc(CC2CC[NH+]([C@H](c3nnnn3Cc3ccccc3)c3ccncc3)CC2)cc1 ZINC000004925522 560618776 /nfs/dbraw/zinc/61/87/76/560618776.db2.gz DCHNIWDRZQBBEG-VWLOTQADSA-N 1 2 424.552 4.161 40 0 HIABLO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000017088181 560863168 /nfs/dbraw/zinc/86/31/68/560863168.db2.gz JRFWULPIGIQDQI-CQSZACIVSA-N 1 2 409.313 4.232 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121065 560880796 /nfs/dbraw/zinc/88/07/96/560880796.db2.gz WFJGJWBQFBEELQ-DEOSSOPVSA-N 1 2 413.500 4.317 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121065 560880798 /nfs/dbraw/zinc/88/07/98/560880798.db2.gz WFJGJWBQFBEELQ-DEOSSOPVSA-N 1 2 413.500 4.317 40 0 HIABLO CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222885365 568529490 /nfs/dbraw/zinc/52/94/90/568529490.db2.gz KMENFNXZVZIPCC-FCHUYYIVSA-N 1 2 405.571 4.321 40 0 HIABLO Fc1cc(Br)ccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225454143 568639246 /nfs/dbraw/zinc/63/92/46/568639246.db2.gz IOXUFGLEAJLQHG-UHFFFAOYSA-N 1 2 405.296 4.261 40 0 HIABLO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225749657 568670942 /nfs/dbraw/zinc/67/09/42/568670942.db2.gz RRHQDSBIXSJTEE-HSZRJFAPSA-N 1 2 406.567 4.102 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)s1 ZINC000257240179 568787467 /nfs/dbraw/zinc/78/74/67/568787467.db2.gz HSLPVBFKKOVACE-HXUWFJFHSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)s1 ZINC000257240179 568787468 /nfs/dbraw/zinc/78/74/68/568787468.db2.gz HSLPVBFKKOVACE-HXUWFJFHSA-N 1 2 418.950 4.023 40 0 HIABLO COc1cccc(C[C@H]2CC[C@@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@H]23)c1 ZINC000257295660 568803203 /nfs/dbraw/zinc/80/32/03/568803203.db2.gz QZIGNXGFRPAZHB-GZGNHOFSSA-N 1 2 415.537 4.281 40 0 HIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3nc(C)cs3)n2)C1 ZINC000257311301 568807789 /nfs/dbraw/zinc/80/77/89/568807789.db2.gz UIVREGDNGQRFQE-HXUWFJFHSA-N 1 2 410.543 4.481 40 0 HIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3nc(C)cs3)n2)C1 ZINC000257311301 568807792 /nfs/dbraw/zinc/80/77/92/568807792.db2.gz UIVREGDNGQRFQE-HXUWFJFHSA-N 1 2 410.543 4.481 40 0 HIABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(C(C)C)cc1 ZINC000261362023 568819276 /nfs/dbraw/zinc/81/92/76/568819276.db2.gz BUVUSJQPKRNJKF-QFIPXVFZSA-O 1 2 421.546 4.286 40 0 HIABLO CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328958968 568969728 /nfs/dbraw/zinc/96/97/28/568969728.db2.gz ARMLEYQEURAMAM-UHFFFAOYSA-N 1 2 401.230 4.155 40 0 HIABLO CCn1c(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)nc2ccccc21 ZINC000019704535 569347714 /nfs/dbraw/zinc/34/77/14/569347714.db2.gz QLIIUPSJZWAARZ-QGZVFWFLSA-N 1 2 419.504 4.487 40 0 HIABLO CCn1c(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)nc2ccccc21 ZINC000019704535 569347715 /nfs/dbraw/zinc/34/77/15/569347715.db2.gz QLIIUPSJZWAARZ-QGZVFWFLSA-N 1 2 419.504 4.487 40 0 HIABLO OCCCNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329030356 571308342 /nfs/dbraw/zinc/30/83/42/571308342.db2.gz QDKRFZZITOBAOQ-UHFFFAOYSA-N 1 2 422.382 4.719 40 0 HIABLO CC[C@H](C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329051413 571309573 /nfs/dbraw/zinc/30/95/73/571309573.db2.gz UWPIACDKUQKJRO-SFHVURJKSA-N 1 2 403.530 4.934 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](O)C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000003193374 132263330 /nfs/dbraw/zinc/26/33/30/132263330.db2.gz XUJBIMTWFDUREJ-AWEZNQCLSA-N 1 2 408.445 4.291 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](O)C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000003193374 132263332 /nfs/dbraw/zinc/26/33/32/132263332.db2.gz XUJBIMTWFDUREJ-AWEZNQCLSA-N 1 2 408.445 4.291 40 0 HIABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000004954310 132296936 /nfs/dbraw/zinc/29/69/36/132296936.db2.gz UFYKPHTWVNLCBP-XYPWUTKMSA-N 1 2 400.931 4.457 40 0 HIABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000004954310 132296937 /nfs/dbraw/zinc/29/69/37/132296937.db2.gz UFYKPHTWVNLCBP-XYPWUTKMSA-N 1 2 400.931 4.457 40 0 HIABLO Cc1ccccc1[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000044843443 525429661 /nfs/dbraw/zinc/42/96/61/525429661.db2.gz QIKVOYXZRRLGLD-RUZDIDTESA-N 1 2 400.522 4.347 40 0 HIABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741176 558261807 /nfs/dbraw/zinc/26/18/07/558261807.db2.gz WWVLSIVFSGCSKG-OAQYLSRUSA-N 1 2 408.521 4.341 40 0 HIABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741176 558261809 /nfs/dbraw/zinc/26/18/09/558261809.db2.gz WWVLSIVFSGCSKG-OAQYLSRUSA-N 1 2 408.521 4.341 40 0 HIABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019759645 558275938 /nfs/dbraw/zinc/27/59/38/558275938.db2.gz ZNDDOPAOKQPOMC-DQJRMYJUSA-N 1 2 415.537 4.413 40 0 HIABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019759645 558275939 /nfs/dbraw/zinc/27/59/39/558275939.db2.gz ZNDDOPAOKQPOMC-DQJRMYJUSA-N 1 2 415.537 4.413 40 0 HIABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000012240801 558360311 /nfs/dbraw/zinc/36/03/11/558360311.db2.gz MVMHVCJXRSKPRI-QHCPKHFHSA-N 1 2 404.514 4.160 40 0 HIABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@@H+](Cc1cnc(C(C)C)nc1)CC2 ZINC000012240801 558360312 /nfs/dbraw/zinc/36/03/12/558360312.db2.gz MVMHVCJXRSKPRI-QHCPKHFHSA-N 1 2 404.514 4.160 40 0 HIABLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013709495 558575437 /nfs/dbraw/zinc/57/54/37/558575437.db2.gz XCOHBDMQIZVBGK-OGECGYFKSA-N 1 2 400.522 4.465 40 0 HIABLO COc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)cs1)OCCO2 ZINC000019240218 558858852 /nfs/dbraw/zinc/85/88/52/558858852.db2.gz VWDVUAODBZDJRN-MRXNPFEDSA-N 1 2 402.541 4.366 40 0 HIABLO COc1cc2[nH]c(C(=O)N3CC[C@@H](c4[nH+]c(C)n5c(C)csc45)C3)cc2c(OC)c1 ZINC000019240517 558859007 /nfs/dbraw/zinc/85/90/07/558859007.db2.gz XTGCAZPEFWVCAO-CQSZACIVSA-N 1 2 424.526 4.141 40 0 HIABLO COc1cccc(C[N@H+](Cc2ccccn2)Cc2cccc3nccnc23)c1OC ZINC000019567528 558926824 /nfs/dbraw/zinc/92/68/24/558926824.db2.gz QOJZVZVNEYUHHG-UHFFFAOYSA-N 1 2 400.482 4.244 40 0 HIABLO COc1cccc(C[N@@H+](Cc2ccccn2)Cc2cccc3nccnc23)c1OC ZINC000019567528 558926826 /nfs/dbraw/zinc/92/68/26/558926826.db2.gz QOJZVZVNEYUHHG-UHFFFAOYSA-N 1 2 400.482 4.244 40 0 HIABLO COc1ccc2cnc(C3CC[NH+](CC(=O)c4ccnn4C(C)C)CC3)cc2c1C ZINC000019582778 558937532 /nfs/dbraw/zinc/93/75/32/558937532.db2.gz XIYGROCAYIYUBB-UHFFFAOYSA-N 1 2 406.530 4.392 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348904 558945749 /nfs/dbraw/zinc/94/57/49/558945749.db2.gz WNEROISXZCXDJP-KRWDZBQOSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348904 558945751 /nfs/dbraw/zinc/94/57/51/558945751.db2.gz WNEROISXZCXDJP-KRWDZBQOSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1ccccn1 ZINC000072349545 558946314 /nfs/dbraw/zinc/94/63/14/558946314.db2.gz VPSNYPLBUDEROD-IBGZPJMESA-N 1 2 404.489 4.025 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1ccccn1 ZINC000072349545 558946316 /nfs/dbraw/zinc/94/63/16/558946316.db2.gz VPSNYPLBUDEROD-IBGZPJMESA-N 1 2 404.489 4.025 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)s1 ZINC000072375174 558963611 /nfs/dbraw/zinc/96/36/11/558963611.db2.gz AUMBQVSOTLLKEV-QGZVFWFLSA-N 1 2 408.531 4.069 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)s1 ZINC000072375174 558963613 /nfs/dbraw/zinc/96/36/13/558963613.db2.gz AUMBQVSOTLLKEV-QGZVFWFLSA-N 1 2 408.531 4.069 40 0 HIABLO Fc1ccccc1CNc1[nH]nc2nc(C3CC[NH+](Cc4ccccn4)CC3)ccc21 ZINC000019695892 558964327 /nfs/dbraw/zinc/96/43/27/558964327.db2.gz YODDXAAKEURSKO-UHFFFAOYSA-N 1 2 416.504 4.484 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696782 558964557 /nfs/dbraw/zinc/96/45/57/558964557.db2.gz YUCVNXBZSKTDCJ-HXUWFJFHSA-N 1 2 417.534 4.383 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019696782 558964559 /nfs/dbraw/zinc/96/45/59/558964559.db2.gz YUCVNXBZSKTDCJ-HXUWFJFHSA-N 1 2 417.534 4.383 40 0 HIABLO O=C(CCOc1cccc(F)c1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000072391474 558971384 /nfs/dbraw/zinc/97/13/84/558971384.db2.gz RTTXGTFHZNIIJR-UHFFFAOYSA-N 1 2 411.502 4.248 40 0 HIABLO O=C(CCOc1cccc(F)c1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072391474 558971385 /nfs/dbraw/zinc/97/13/85/558971385.db2.gz RTTXGTFHZNIIJR-UHFFFAOYSA-N 1 2 411.502 4.248 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)c1C ZINC000096315936 559109582 /nfs/dbraw/zinc/10/95/82/559109582.db2.gz USGVCMVSIBJADM-GOSISDBHSA-N 1 2 413.472 4.430 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2cccc(F)c2F)c1C ZINC000096315936 559109584 /nfs/dbraw/zinc/10/95/84/559109584.db2.gz USGVCMVSIBJADM-GOSISDBHSA-N 1 2 413.472 4.430 40 0 HIABLO CCC[C@H]1CC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1Nc1cccc(F)c1 ZINC000585262235 559110351 /nfs/dbraw/zinc/11/03/51/559110351.db2.gz OEOYSZVXSPSPEH-PGRDOPGGSA-N 1 2 404.551 4.332 40 0 HIABLO CCC[C@H]1CC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1Nc1cccc(F)c1 ZINC000585262235 559110352 /nfs/dbraw/zinc/11/03/52/559110352.db2.gz OEOYSZVXSPSPEH-PGRDOPGGSA-N 1 2 404.551 4.332 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000000889603 560542091 /nfs/dbraw/zinc/54/20/91/560542091.db2.gz ZDKPRBXGFMYHML-JOCHJYFZSA-N 1 2 420.561 4.212 40 0 HIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(C)CC3)cc2c1 ZINC000000908611 560545763 /nfs/dbraw/zinc/54/57/63/560545763.db2.gz BOSZXDGJUCENOU-NRFANRHFSA-N 1 2 422.577 4.043 40 0 HIABLO Cc1cccc2cc(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCC3)c(=O)[nH]c12 ZINC000000926325 560557053 /nfs/dbraw/zinc/55/70/53/560557053.db2.gz KANAOOGABSFWOA-UHFFFAOYSA-N 1 2 420.561 4.273 40 0 HIABLO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCC3)c(=O)[nH]c12 ZINC000000926325 560557054 /nfs/dbraw/zinc/55/70/54/560557054.db2.gz KANAOOGABSFWOA-UHFFFAOYSA-N 1 2 420.561 4.273 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000001224720 560572660 /nfs/dbraw/zinc/57/26/60/560572660.db2.gz MMOCZFRILLWMBY-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000001224720 560572661 /nfs/dbraw/zinc/57/26/61/560572661.db2.gz MMOCZFRILLWMBY-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)OCc1ccccc1 ZINC000001346471 560576401 /nfs/dbraw/zinc/57/64/01/560576401.db2.gz FBBPWPNEJHHFOK-UHFFFAOYSA-N 1 2 410.886 4.304 40 0 HIABLO COc1cccc(OC)c1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966471 560621718 /nfs/dbraw/zinc/62/17/18/560621718.db2.gz IGKBWYRHNUITPZ-UHFFFAOYSA-N 1 2 411.527 4.132 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CSCc1cccc(Cl)c1)C[N@@H+](C)CC2 ZINC000020242028 560854669 /nfs/dbraw/zinc/85/46/69/560854669.db2.gz OGBJXDIJMSOHNI-UHFFFAOYSA-N 1 2 424.975 4.048 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CSCc1cccc(Cl)c1)C[N@H+](C)CC2 ZINC000020242028 560854671 /nfs/dbraw/zinc/85/46/71/560854671.db2.gz OGBJXDIJMSOHNI-UHFFFAOYSA-N 1 2 424.975 4.048 40 0 HIABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)c1C ZINC000020121733 560880866 /nfs/dbraw/zinc/88/08/66/560880866.db2.gz ZTBPOGIRWZMMPV-XMMPIXPASA-N 1 2 416.573 4.317 40 0 HIABLO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000020139267 560881029 /nfs/dbraw/zinc/88/10/29/560881029.db2.gz MRDPLTHRXCLXIW-HSZRJFAPSA-N 1 2 418.589 4.265 40 0 HIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC000219855424 568499250 /nfs/dbraw/zinc/49/92/50/568499250.db2.gz QKAXSTXZAXFYGI-UHFFFAOYSA-N 1 2 417.509 4.373 40 0 HIABLO CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222885232 568529485 /nfs/dbraw/zinc/52/94/85/568529485.db2.gz KMENFNXZVZIPCC-VXKWHMMOSA-N 1 2 405.571 4.321 40 0 HIABLO COc1ccc2nc(C)c(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2c1 ZINC000223137863 568539206 /nfs/dbraw/zinc/53/92/06/568539206.db2.gz BISFIKSRDYNYFB-RMKNXTFCSA-N 1 2 401.510 4.023 40 0 HIABLO CCCOCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OCC ZINC000224711861 568593435 /nfs/dbraw/zinc/59/34/35/568593435.db2.gz HXUCLJAKACOJAC-DHZHZOJOSA-N 1 2 422.569 4.483 40 0 HIABLO O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959731 568605988 /nfs/dbraw/zinc/60/59/88/568605988.db2.gz AHRPPOKPJCXCCJ-UHFFFAOYSA-N 1 2 409.349 4.381 40 0 HIABLO S=C(Nc1ccc(Nc2ccccc2)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225225445 568624474 /nfs/dbraw/zinc/62/44/74/568624474.db2.gz JQQANWYDRRXKNR-UHFFFAOYSA-N 1 2 403.555 4.340 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1cc(F)ccc1F ZINC000257215602 568780676 /nfs/dbraw/zinc/78/06/76/568780676.db2.gz CQVFISWEXWKSRJ-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO COc1cccc2ccc(C[N@@H+]3CCCC[C@@H]3c3nnc(-c4ccccn4)o3)nc21 ZINC000257229279 568784717 /nfs/dbraw/zinc/78/47/17/568784717.db2.gz FXLMVLDTDZTEIT-LJQANCHMSA-N 1 2 401.470 4.416 40 0 HIABLO COc1cccc2ccc(C[N@H+]3CCCC[C@@H]3c3nnc(-c4ccccn4)o3)nc21 ZINC000257229279 568784720 /nfs/dbraw/zinc/78/47/20/568784720.db2.gz FXLMVLDTDZTEIT-LJQANCHMSA-N 1 2 401.470 4.416 40 0 HIABLO Cc1csc(Nc2cccc(C(=O)N3CCC[C@](C)(c4cc(N)nc(C)[nH+]4)C3)c2)n1 ZINC000257254909 568791779 /nfs/dbraw/zinc/79/17/79/568791779.db2.gz KFFHGCGDTSGSSG-QFIPXVFZSA-N 1 2 422.558 4.070 40 0 HIABLO Cn1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257277580 568797825 /nfs/dbraw/zinc/79/78/25/568797825.db2.gz NYNMNVAIKPFFAS-HSZRJFAPSA-N 1 2 411.933 4.269 40 0 HIABLO Cn1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257277580 568797827 /nfs/dbraw/zinc/79/78/27/568797827.db2.gz NYNMNVAIKPFFAS-HSZRJFAPSA-N 1 2 411.933 4.269 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)c(C)n1 ZINC000257340973 568816258 /nfs/dbraw/zinc/81/62/58/568816258.db2.gz ZIHRYZDSHCGWEI-VWLOTQADSA-N 1 2 404.558 4.388 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)c(C)n1 ZINC000257340973 568816261 /nfs/dbraw/zinc/81/62/61/568816261.db2.gz ZIHRYZDSHCGWEI-VWLOTQADSA-N 1 2 404.558 4.388 40 0 HIABLO CNc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329021734 568973065 /nfs/dbraw/zinc/97/30/65/568973065.db2.gz OIFDEFITLFVOOE-UHFFFAOYSA-N 1 2 408.811 4.193 40 0 HIABLO C[C@H](NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000008433909 569340972 /nfs/dbraw/zinc/34/09/72/569340972.db2.gz IPMQAOCEZPIHTA-NRFANRHFSA-N 1 2 416.521 4.109 40 0 HIABLO C[C@@H](NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000008433910 569341002 /nfs/dbraw/zinc/34/10/02/569341002.db2.gz IPMQAOCEZPIHTA-OAQYLSRUSA-N 1 2 416.521 4.109 40 0 HIABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764887 569348946 /nfs/dbraw/zinc/34/89/46/569348946.db2.gz ZDZUZQUEEDOMCB-FQEVSTJZSA-N 1 2 424.936 4.151 40 0 HIABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764887 569348947 /nfs/dbraw/zinc/34/89/47/569348947.db2.gz ZDZUZQUEEDOMCB-FQEVSTJZSA-N 1 2 424.936 4.151 40 0 HIABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015674138 291266355 /nfs/dbraw/zinc/26/63/55/291266355.db2.gz NDFGZTQPHABDJI-AEFFLSMTSA-N 1 2 419.403 4.072 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015674138 291266357 /nfs/dbraw/zinc/26/63/57/291266357.db2.gz NDFGZTQPHABDJI-AEFFLSMTSA-N 1 2 419.403 4.072 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccc2Cl)Oc2ccccc2N1Cc1ccccn1 ZINC000096111850 291270321 /nfs/dbraw/zinc/27/03/21/291270321.db2.gz DTWHQCDUGSHNHS-UGKGYDQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccc2Cl)Oc2ccccc2N1Cc1ccccn1 ZINC000096111850 291270323 /nfs/dbraw/zinc/27/03/23/291270323.db2.gz DTWHQCDUGSHNHS-UGKGYDQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674248 291271086 /nfs/dbraw/zinc/27/10/86/291271086.db2.gz AVXPBKHRGMJYBR-WBVHZDCISA-N 1 2 423.366 4.082 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674248 291271087 /nfs/dbraw/zinc/27/10/87/291271087.db2.gz AVXPBKHRGMJYBR-WBVHZDCISA-N 1 2 423.366 4.082 40 0 biogenic,in-vitro HIABLO O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019402057 132467231 /nfs/dbraw/zinc/46/72/31/132467231.db2.gz GNWXUNFMLJGDBH-UGKGYDQZSA-N 1 2 406.917 4.252 40 0 HIABLO CC(C)N(C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)C(C)C ZINC000001357346 557256796 /nfs/dbraw/zinc/25/67/96/557256796.db2.gz PRKMGRNODMTOGF-UHFFFAOYSA-N 1 2 403.939 4.206 40 0 HIABLO COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000408563400 557453574 /nfs/dbraw/zinc/45/35/74/557453574.db2.gz MIUJOXKKIBJJDP-LLVKDONJSA-N 1 2 424.975 4.295 40 0 HIABLO COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408563400 557453577 /nfs/dbraw/zinc/45/35/77/557453577.db2.gz MIUJOXKKIBJJDP-LLVKDONJSA-N 1 2 424.975 4.295 40 0 HIABLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000019719922 558258398 /nfs/dbraw/zinc/25/83/98/558258398.db2.gz VNLVEUBOPNOSGR-INIZCTEOSA-N 1 2 422.529 4.146 40 0 HIABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2cccnc2)nc1C ZINC000019753400 558272693 /nfs/dbraw/zinc/27/26/93/558272693.db2.gz NQUMGEZOQOYAAD-OAQYLSRUSA-N 1 2 417.513 4.168 40 0 HIABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2cccnc2)nc1C ZINC000019753400 558272695 /nfs/dbraw/zinc/27/26/95/558272695.db2.gz NQUMGEZOQOYAAD-OAQYLSRUSA-N 1 2 417.513 4.168 40 0 HIABLO COc1ccc(C(=O)c2cn(CC[NH+]3CCOCC3)c3ccccc23)c2ccccc12 ZINC000013476550 558620194 /nfs/dbraw/zinc/62/01/94/558620194.db2.gz QWHSUXWDDKWTOG-UHFFFAOYSA-N 1 2 414.505 4.366 40 0 in-vitro HIABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000036616297 558730899 /nfs/dbraw/zinc/73/08/99/558730899.db2.gz GDIFYOIOYFXQGM-INIZCTEOSA-N 1 2 414.513 4.395 40 0 HIABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)CCc2ccco2)C3)cc1 ZINC000019083102 558840395 /nfs/dbraw/zinc/84/03/95/558840395.db2.gz GFELVCAUPHEYJS-UHFFFAOYSA-N 1 2 422.529 4.337 40 0 HIABLO COCCC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccn1 ZINC000057810314 558890686 /nfs/dbraw/zinc/89/06/86/558890686.db2.gz NIXMZYZKOFZJDU-UHFFFAOYSA-N 1 2 406.408 4.189 40 0 HIABLO COCCC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccn1 ZINC000057810314 558890688 /nfs/dbraw/zinc/89/06/88/558890688.db2.gz NIXMZYZKOFZJDU-UHFFFAOYSA-N 1 2 406.408 4.189 40 0 HIABLO Cc1sc2c([C@H]3CCCN(C(=O)c4ccn[nH]4)C3)[nH+]c(Nc3ccccc3)n2c1C ZINC000019561735 558922593 /nfs/dbraw/zinc/92/25/93/558922593.db2.gz SHWAWHGPRRQLEU-INIZCTEOSA-N 1 2 420.542 4.499 40 0 HIABLO COc1cccc([C@@H]2[NH2+][C@H](c3cccnc3)Cc3cc(OC)c(OC)cc32)c1OC ZINC000019568147 558927357 /nfs/dbraw/zinc/92/73/57/558927357.db2.gz QSRCYDPUSRCYGA-CVDCTZTESA-N 1 2 406.482 4.092 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)nc2)n1 ZINC000072353011 558949679 /nfs/dbraw/zinc/94/96/79/558949679.db2.gz NTLKWTCIWCPWOR-OAQYLSRUSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)nc2)n1 ZINC000072353011 558949681 /nfs/dbraw/zinc/94/96/81/558949681.db2.gz NTLKWTCIWCPWOR-OAQYLSRUSA-N 1 2 420.492 4.147 40 0 HIABLO COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353220 558950013 /nfs/dbraw/zinc/95/00/13/558950013.db2.gz FXRWABSYYICNTG-IBGZPJMESA-N 1 2 424.526 4.063 40 0 HIABLO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353816 558950879 /nfs/dbraw/zinc/95/08/79/558950879.db2.gz IXYIJZNRFZFOPE-HXUWFJFHSA-N 1 2 406.555 4.255 40 0 HIABLO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353816 558950880 /nfs/dbraw/zinc/95/08/80/558950880.db2.gz IXYIJZNRFZFOPE-HXUWFJFHSA-N 1 2 406.555 4.255 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072359421 558955191 /nfs/dbraw/zinc/95/51/91/558955191.db2.gz ZMNZSICIYCUEDM-HNNXBMFYSA-N 1 2 413.934 4.072 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072359421 558955193 /nfs/dbraw/zinc/95/51/93/558955193.db2.gz ZMNZSICIYCUEDM-HNNXBMFYSA-N 1 2 413.934 4.072 40 0 HIABLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c(C)n1 ZINC000072372861 558960510 /nfs/dbraw/zinc/96/05/10/558960510.db2.gz IQAFBJAXTTXXCN-QFIPXVFZSA-N 1 2 408.594 4.200 40 0 HIABLO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c(C)n1 ZINC000072372861 558960513 /nfs/dbraw/zinc/96/05/13/558960513.db2.gz IQAFBJAXTTXXCN-QFIPXVFZSA-N 1 2 408.594 4.200 40 0 HIABLO Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2C[N@H+](C)CCO2)cc1 ZINC000019696709 558964540 /nfs/dbraw/zinc/96/45/40/558964540.db2.gz CPOCJVQQTBJNBE-HXUWFJFHSA-N 1 2 424.566 4.364 40 0 HIABLO Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000019696709 558964542 /nfs/dbraw/zinc/96/45/42/558964542.db2.gz CPOCJVQQTBJNBE-HXUWFJFHSA-N 1 2 424.566 4.364 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000072378602 558967588 /nfs/dbraw/zinc/96/75/88/558967588.db2.gz SDOXTPWZHKZABF-UHFFFAOYSA-N 1 2 422.504 4.315 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379028 558967775 /nfs/dbraw/zinc/96/77/75/558967775.db2.gz IDGYIVOILSVYOC-LJQANCHMSA-N 1 2 404.514 4.176 40 0 HIABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 ZINC000072379254 558968081 /nfs/dbraw/zinc/96/80/81/558968081.db2.gz IRXLYWCBFUFUAE-LJQANCHMSA-N 1 2 404.514 4.005 40 0 HIABLO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053213 559093128 /nfs/dbraw/zinc/09/31/28/559093128.db2.gz UNKDKXOAQRIVSA-GOSISDBHSA-N 1 2 411.571 4.057 40 0 HIABLO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053514 559093580 /nfs/dbraw/zinc/09/35/80/559093580.db2.gz OIMKMUZGQLGYIS-GOSISDBHSA-N 1 2 413.587 4.206 40 0 HIABLO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376850 559186562 /nfs/dbraw/zinc/18/65/62/559186562.db2.gz DTZOWCMMGXIKKE-HXUWFJFHSA-N 1 2 423.467 4.170 40 0 HIABLO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376850 559186563 /nfs/dbraw/zinc/18/65/63/559186563.db2.gz DTZOWCMMGXIKKE-HXUWFJFHSA-N 1 2 423.467 4.170 40 0 HIABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000000926715 560557048 /nfs/dbraw/zinc/55/70/48/560557048.db2.gz SAGOZCHGKVKUAG-UHFFFAOYSA-N 1 2 422.577 4.221 40 0 HIABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000000926715 560557049 /nfs/dbraw/zinc/55/70/49/560557049.db2.gz SAGOZCHGKVKUAG-UHFFFAOYSA-N 1 2 422.577 4.221 40 0 HIABLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000004909244 560617950 /nfs/dbraw/zinc/61/79/50/560617950.db2.gz GMVCRJAUXDATSP-UHFFFAOYSA-N 1 2 420.340 4.135 40 0 HIABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000408960101 560657647 /nfs/dbraw/zinc/65/76/47/560657647.db2.gz JMCCVRIEUOSLNW-STZFKDTASA-N 1 2 420.900 4.290 40 0 HIABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409234102 560700914 /nfs/dbraw/zinc/70/09/14/560700914.db2.gz LXBAKLMWNZEUDA-XSFVSMFZSA-N 1 2 406.873 4.294 40 0 HIABLO Cc1c(Cl)cccc1N1C(=O)C2=C(c3ccccc3)[NH2+]N(c3ccccc3)[C@@H]2C1=O ZINC000103769130 560734622 /nfs/dbraw/zinc/73/46/22/560734622.db2.gz XIQCJYKEDDRRLD-UNMCSNQZSA-N 1 2 415.880 4.431 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000012717080 560786352 /nfs/dbraw/zinc/78/63/52/560786352.db2.gz MMOCZFRILLWMBY-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000012717080 560786354 /nfs/dbraw/zinc/78/63/54/560786354.db2.gz MMOCZFRILLWMBY-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)c1 ZINC000057671598 568495281 /nfs/dbraw/zinc/49/52/81/568495281.db2.gz PWTXQUFIUUUVMI-QFIPXVFZSA-N 1 2 424.618 4.309 40 0 HIABLO CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219866921 568499478 /nfs/dbraw/zinc/49/94/78/568499478.db2.gz YAOFVGZWHSAGOC-UHFFFAOYSA-N 1 2 410.543 4.372 40 0 HIABLO COc1c(C)cccc1C[N@@H+]1CCO[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257329286 568812845 /nfs/dbraw/zinc/81/28/45/568812845.db2.gz XJEXLFWWUUNYCC-JOCHJYFZSA-N 1 2 419.529 4.123 40 0 HIABLO COc1c(C)cccc1C[N@H+]1CCO[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257329286 568812848 /nfs/dbraw/zinc/81/28/48/568812848.db2.gz XJEXLFWWUUNYCC-JOCHJYFZSA-N 1 2 419.529 4.123 40 0 HIABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1 ZINC000261364361 568819496 /nfs/dbraw/zinc/81/94/96/568819496.db2.gz LBVPWODYCLZEMS-QFIPXVFZSA-O 1 2 421.546 4.332 40 0 HIABLO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)s1)Cc1c2nc(C)n1C(C)C ZINC000306134519 568896435 /nfs/dbraw/zinc/89/64/35/568896435.db2.gz NPVQSDYBUDUORG-UHFFFAOYSA-N 1 2 400.592 4.038 40 0 HIABLO CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(C)s1)Cc1c2nc(C)n1C(C)C ZINC000306134519 568896436 /nfs/dbraw/zinc/89/64/36/568896436.db2.gz NPVQSDYBUDUORG-UHFFFAOYSA-N 1 2 400.592 4.038 40 0 HIABLO Cc1cccc(C)c1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008433905 569340977 /nfs/dbraw/zinc/34/09/77/569340977.db2.gz QCLYSLZHLLDYTR-UHFFFAOYSA-N 1 2 416.521 4.488 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)c(C)n1 ZINC000019692372 569346053 /nfs/dbraw/zinc/34/60/53/569346053.db2.gz YFTGTIUPQPUZTC-QHCPKHFHSA-N 1 2 410.949 4.424 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)c(C)n1 ZINC000019692372 569346054 /nfs/dbraw/zinc/34/60/54/569346054.db2.gz YFTGTIUPQPUZTC-QHCPKHFHSA-N 1 2 410.949 4.424 40 0 HIABLO Cc1ccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)cc2)[NH+]2CCOCC2)cc1 ZINC000141542062 569354641 /nfs/dbraw/zinc/35/46/41/569354641.db2.gz RFETYEVCWCFGSW-VWLOTQADSA-N 1 2 421.585 4.035 40 0 HIABLO CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)cc1OC ZINC000032915551 520293151 /nfs/dbraw/zinc/29/31/51/520293151.db2.gz ZIMMXSJRGRBRQC-VUOWKATKSA-N 1 2 403.910 4.257 40 0 HIABLO O=C(CSCc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408576378 557479633 /nfs/dbraw/zinc/47/96/33/557479633.db2.gz SWJLVEYFZNNESD-QPJJXVBHSA-N 1 2 400.975 4.431 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CCSc1ccc(Cl)cc1)C[N@@H+](C)CC2 ZINC000408576503 557479834 /nfs/dbraw/zinc/47/98/34/557479834.db2.gz UZVPWIWPSIDHKG-UHFFFAOYSA-N 1 2 424.975 4.297 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CCSc1ccc(Cl)cc1)C[N@H+](C)CC2 ZINC000408576503 557479835 /nfs/dbraw/zinc/47/98/35/557479835.db2.gz UZVPWIWPSIDHKG-UHFFFAOYSA-N 1 2 424.975 4.297 40 0 HIABLO O=C(c1ccccc1-c1ccccc1)N(CC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000035315228 557690826 /nfs/dbraw/zinc/69/08/26/557690826.db2.gz KCAGAYFQVMDFTP-UHFFFAOYSA-N 1 2 418.512 4.467 40 0 HIABLO CCCCOc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000022469072 558491412 /nfs/dbraw/zinc/49/14/12/558491412.db2.gz XVGCSZFLYPGSHG-UHFFFAOYSA-N 1 2 419.569 4.333 40 0 HIABLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013708728 558575332 /nfs/dbraw/zinc/57/53/32/558575332.db2.gz CNDUNCNSJSZPLK-CLNPQZTCSA-N 1 2 400.522 4.465 40 0 HIABLO O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038855346 558819192 /nfs/dbraw/zinc/81/91/92/558819192.db2.gz PBVQZFFIXPIQFH-UHFFFAOYSA-N 1 2 424.504 4.156 40 0 HIABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000019116900 558842316 /nfs/dbraw/zinc/84/23/16/558842316.db2.gz ZRRDRLVNXZRDCK-KRWDZBQOSA-N 1 2 420.435 4.411 40 0 HIABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000019116900 558842318 /nfs/dbraw/zinc/84/23/18/558842318.db2.gz ZRRDRLVNXZRDCK-KRWDZBQOSA-N 1 2 420.435 4.411 40 0 HIABLO COc1ccccc1OCc1cc(C)c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000019119606 558842753 /nfs/dbraw/zinc/84/27/53/558842753.db2.gz HAZLMRCHAJODIP-OAQYLSRUSA-N 1 2 420.509 4.305 40 0 HIABLO COc1ccccc1OCc1cc(C)c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000019119606 558842754 /nfs/dbraw/zinc/84/27/54/558842754.db2.gz HAZLMRCHAJODIP-OAQYLSRUSA-N 1 2 420.509 4.305 40 0 HIABLO O[C@@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019349171 558874885 /nfs/dbraw/zinc/87/48/85/558874885.db2.gz SNLVKLYDPKEMJB-HSZRJFAPSA-N 1 2 411.908 4.278 40 0 HIABLO COc1ccc([C@@H]2[NH2+][C@H](c3cccnc3)Cc3cc(OC)c(OC)cc32)cc1OC ZINC000019561466 558922135 /nfs/dbraw/zinc/92/21/35/558922135.db2.gz MNLHTJAIKXPIID-CYFREDJKSA-N 1 2 406.482 4.092 40 0 HIABLO Cc1cc2[nH+]c(CCC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)[nH]c2c(C)c1 ZINC000019568384 558927320 /nfs/dbraw/zinc/92/73/20/558927320.db2.gz WYJVKMIQYNTXDG-KRWDZBQOSA-N 1 2 401.514 4.395 40 0 HIABLO Cc1cc(Cc2ccc(F)cc2)cc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)n1 ZINC000019691650 558960759 /nfs/dbraw/zinc/96/07/59/558960759.db2.gz JIRKMUISPKANOT-UHFFFAOYSA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000019694873 558963538 /nfs/dbraw/zinc/96/35/38/558963538.db2.gz GVRUIOFYZIKOFO-UHFFFAOYSA-N 1 2 400.526 4.373 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1ccc(F)c(F)c1)N(Cc1ccccc1)CC2 ZINC000096037480 559091152 /nfs/dbraw/zinc/09/11/52/559091152.db2.gz UUDNKCWGLNYTKD-HSZRJFAPSA-N 1 2 424.495 4.158 40 0 HIABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288598 560034706 /nfs/dbraw/zinc/03/47/06/560034706.db2.gz JAZITHGQXNYWGK-GJZGRUSLSA-N 1 2 421.488 4.105 40 0 biogenic,in-vitro HIABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288598 560034708 /nfs/dbraw/zinc/03/47/08/560034708.db2.gz JAZITHGQXNYWGK-GJZGRUSLSA-N 1 2 421.488 4.105 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000888938 560542305 /nfs/dbraw/zinc/54/23/05/560542305.db2.gz VLQUNGOPVYTLSB-QFIPXVFZSA-N 1 2 420.561 4.150 40 0 HIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000893293 560543126 /nfs/dbraw/zinc/54/31/26/560543126.db2.gz NNERKTPYRFKDPL-JOCHJYFZSA-N 1 2 420.561 4.013 40 0 HIABLO Cc1cc2[nH]c(CCN(C(=S)NC[C@@H]3CCCO3)C3CCCC3)[nH+]c2cc1C ZINC000013555905 560815761 /nfs/dbraw/zinc/81/57/61/560815761.db2.gz NKMVYFQPPRRHFR-SFHVURJKSA-N 1 2 400.592 4.020 40 0 HIABLO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000017088182 560863156 /nfs/dbraw/zinc/86/31/56/560863156.db2.gz JRFWULPIGIQDQI-AWEZNQCLSA-N 1 2 409.313 4.232 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670603 568494723 /nfs/dbraw/zinc/49/47/23/568494723.db2.gz JTWIFKPBMCWPDC-QFIPXVFZSA-N 1 2 404.562 4.002 40 0 HIABLO CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222839927 568527953 /nfs/dbraw/zinc/52/79/53/568527953.db2.gz GFFYONZTTGSRSA-VXKWHMMOSA-N 1 2 405.571 4.319 40 0 HIABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1Cl ZINC000026417042 568547788 /nfs/dbraw/zinc/54/77/88/568547788.db2.gz LPYRYCFLOUWZCR-UHFFFAOYSA-N 1 2 414.958 4.308 40 0 HIABLO CCn1cc[nH+]c1CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257214327 568780107 /nfs/dbraw/zinc/78/01/07/568780107.db2.gz CLPBEVKONNPPKX-QYZOEREBSA-N 1 2 420.479 4.296 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1 ZINC000257288362 568801053 /nfs/dbraw/zinc/80/10/53/568801053.db2.gz PTXRQKIGLLRVQG-HSZRJFAPSA-N 1 2 410.949 4.424 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1 ZINC000257288362 568801056 /nfs/dbraw/zinc/80/10/56/568801056.db2.gz PTXRQKIGLLRVQG-HSZRJFAPSA-N 1 2 410.949 4.424 40 0 HIABLO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257315082 568808702 /nfs/dbraw/zinc/80/87/02/568808702.db2.gz UZVLVZCSFHTQSZ-AREMUKBSSA-N 1 2 415.537 4.206 40 0 HIABLO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257315082 568808704 /nfs/dbraw/zinc/80/87/04/568808704.db2.gz UZVLVZCSFHTQSZ-AREMUKBSSA-N 1 2 415.537 4.206 40 0 HIABLO COc1cccc(OC)c1CN1CCO[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000257314618 568808809 /nfs/dbraw/zinc/80/88/09/568808809.db2.gz UXSNWXIGHDDGSK-QHCPKHFHSA-N 1 2 420.513 4.119 40 0 HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257315810 568808960 /nfs/dbraw/zinc/80/89/60/568808960.db2.gz VCWIKTMVPFAJBH-JOCHJYFZSA-N 1 2 418.472 4.426 40 0 HIABLO Cc1cnc(NC(=O)C[NH+]2CCC(c3cccc(Nc4ncccc4C)n3)CC2)s1 ZINC000257320674 568810689 /nfs/dbraw/zinc/81/06/89/568810689.db2.gz VXZAPVZIYQFOIC-UHFFFAOYSA-N 1 2 422.558 4.112 40 0 HIABLO CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CCCn4cc[nH+]c4)CC3)C[C@@H]21 ZINC000257329701 568813007 /nfs/dbraw/zinc/81/30/07/568813007.db2.gz XLCRHTRKGHGRLZ-NZQKXSOJSA-N 1 2 423.557 4.221 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000257339188 568815766 /nfs/dbraw/zinc/81/57/66/568815766.db2.gz ZAPABWAYFODRFX-QHCPKHFHSA-N 1 2 420.561 4.496 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000257339188 568815767 /nfs/dbraw/zinc/81/57/67/568815767.db2.gz ZAPABWAYFODRFX-QHCPKHFHSA-N 1 2 420.561 4.496 40 0 HIABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@@H]1c1cccs1 ZINC000261363985 569413505 /nfs/dbraw/zinc/41/35/05/569413505.db2.gz IXDRNWFJIDHVTQ-LJQANCHMSA-O 1 2 413.548 4.004 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035313880 557689623 /nfs/dbraw/zinc/68/96/23/557689623.db2.gz SIJQXPMBOJLXBB-IBGZPJMESA-N 1 2 416.982 4.100 40 0 HIABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019719284 558257848 /nfs/dbraw/zinc/25/78/48/558257848.db2.gz DKZZPKBAJAFWHR-LJQANCHMSA-N 1 2 415.541 4.418 40 0 HIABLO Cc1ccc([C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000019933267 558311091 /nfs/dbraw/zinc/31/10/91/558311091.db2.gz ASWRXJRBTCJRTJ-VWLOTQADSA-N 1 2 400.522 4.347 40 0 HIABLO CC(C)(Br)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000031795921 558752459 /nfs/dbraw/zinc/75/24/59/558752459.db2.gz RUXAEENIJHBTMW-UHFFFAOYSA-N 1 2 401.348 4.094 40 0 HIABLO Cc1ccc2oc(C(=O)N3CCN([C@@H](c4[nH+]ccn4C)c4ccccc4)CC3)cc2c1 ZINC000019221335 558851956 /nfs/dbraw/zinc/85/19/56/558851956.db2.gz VYQLGSRJJUDXKI-HSZRJFAPSA-N 1 2 414.509 4.022 40 0 HIABLO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[N@H+](Cc2cccnc2)CC3)c1 ZINC000019293981 558865463 /nfs/dbraw/zinc/86/54/63/558865463.db2.gz WQKUEZYZEKJOHB-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000019293981 558865465 /nfs/dbraw/zinc/86/54/65/558865465.db2.gz WQKUEZYZEKJOHB-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO OC1(Cn2ccc3ncccc32)CC2CCC(C1)[NH+]2Cc1ccccc1OC(F)F ZINC000019348740 558874648 /nfs/dbraw/zinc/87/46/48/558874648.db2.gz MRAIZRPJNDLUOF-NHJWOMDBSA-N 1 2 413.468 4.196 40 0 HIABLO c1ccc(N2CC[NH+](Cc3nc(-c4cccnc4OC4CCCCC4)no3)CC2)cc1 ZINC000019372977 558880081 /nfs/dbraw/zinc/88/00/81/558880081.db2.gz USOGVURYIMFWDE-UHFFFAOYSA-N 1 2 419.529 4.165 40 0 HIABLO O[C@@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019401084 558883642 /nfs/dbraw/zinc/88/36/42/558883642.db2.gz HMNGWYFYEKKJGQ-HSZRJFAPSA-N 1 2 411.908 4.278 40 0 HIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H](C)n1c(C)[nH+]c2ccccc21 ZINC000019578362 558933928 /nfs/dbraw/zinc/93/39/28/558933928.db2.gz BWJUAFAFRQNQLK-INIZCTEOSA-N 1 2 405.477 4.164 40 0 HIABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3ccc(N(C)C)cc3[nH]2)CC1 ZINC000072365989 558955993 /nfs/dbraw/zinc/95/59/93/558955993.db2.gz DFEIQTCQPORUQW-UHFFFAOYSA-N 1 2 401.514 4.369 40 0 HIABLO COc1ccc(CCNc2cc([C@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)cc1OC ZINC000072373201 558961102 /nfs/dbraw/zinc/96/11/02/558961102.db2.gz SDWNGHADQAQJML-OAHLLOKOSA-N 1 2 423.561 4.382 40 0 HIABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072375146 558963596 /nfs/dbraw/zinc/96/35/96/558963596.db2.gz FMLWSJQEBIDNDO-HXUWFJFHSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072375146 558963597 /nfs/dbraw/zinc/96/35/97/558963597.db2.gz FMLWSJQEBIDNDO-HXUWFJFHSA-N 1 2 405.477 4.443 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379036 558967850 /nfs/dbraw/zinc/96/78/50/558967850.db2.gz NKXWXOYHXIPAFL-SFHVURJKSA-N 1 2 422.504 4.315 40 0 HIABLO CCn1cc(-c2cc(C(=O)Nc3ccc4[nH]c(Cc5ccccc5)[nH+]c4c3)no2)cn1 ZINC000019719248 558983046 /nfs/dbraw/zinc/98/30/46/558983046.db2.gz RJZIMIZWYUHPIS-UHFFFAOYSA-N 1 2 412.453 4.277 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)Nc1ccc(F)cc1F)N(Cc1ccccc1)CC2 ZINC000096037502 559091210 /nfs/dbraw/zinc/09/12/10/559091210.db2.gz VDHWMRLCIAAYRH-JOCHJYFZSA-N 1 2 410.468 4.480 40 0 HIABLO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769465 559140199 /nfs/dbraw/zinc/14/01/99/559140199.db2.gz ZTSYXLQFKINYHP-JOCHJYFZSA-N 1 2 416.472 4.094 40 0 HIABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](CCCc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289583 560032242 /nfs/dbraw/zinc/03/22/42/560032242.db2.gz VUJWTLHRBCAGQG-PMACEKPBSA-N 1 2 421.541 4.160 40 0 biogenic,in-vitro HIABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](CCCc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289583 560032244 /nfs/dbraw/zinc/03/22/44/560032244.db2.gz VUJWTLHRBCAGQG-PMACEKPBSA-N 1 2 421.541 4.160 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000514289622 560032267 /nfs/dbraw/zinc/03/22/67/560032267.db2.gz WXRJBKLJDDXSAQ-OALUTQOASA-N 1 2 407.514 4.035 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000514289622 560032269 /nfs/dbraw/zinc/03/22/69/560032269.db2.gz WXRJBKLJDDXSAQ-OALUTQOASA-N 1 2 407.514 4.035 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4cnccn4)C=C3C)[nH+]c2c1 ZINC000072320847 560077183 /nfs/dbraw/zinc/07/71/83/560077183.db2.gz JOJOTOFFEPJKEF-UFYCRDLUSA-N 1 2 417.557 4.488 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4cnccn4)C=C3C)[nH]c2c1 ZINC000072320847 560077185 /nfs/dbraw/zinc/07/71/85/560077185.db2.gz JOJOTOFFEPJKEF-UFYCRDLUSA-N 1 2 417.557 4.488 40 0 biogenic,in-vitro HIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000000893713 560543514 /nfs/dbraw/zinc/54/35/14/560543514.db2.gz BUWSNBBBDDKLFV-JOCHJYFZSA-N 1 2 420.561 4.068 40 0 HIABLO c1ccc(CC2CC[NH+]([C@@H](c3nnnn3Cc3ccccc3)c3cccnc3)CC2)cc1 ZINC000004925476 560618750 /nfs/dbraw/zinc/61/87/50/560618750.db2.gz LIMXGDQSTVLUOK-RUZDIDTESA-N 1 2 424.552 4.161 40 0 HIABLO O=C(Nc1ccccc1F)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408860845 560648009 /nfs/dbraw/zinc/64/80/09/560648009.db2.gz GNVRCOYHEUSDHA-UHFFFAOYSA-N 1 2 403.501 4.396 40 0 HIABLO Cc1ccc([NH+]2CCC(C(=O)NCc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000219866225 568499542 /nfs/dbraw/zinc/49/95/42/568499542.db2.gz HXPJISAUXZDLFB-UHFFFAOYSA-N 1 2 410.905 4.231 40 0 HIABLO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223137389 568539115 /nfs/dbraw/zinc/53/91/15/568539115.db2.gz NCKSIOCCYAJAGZ-TYOLEZHBSA-N 1 2 404.554 4.190 40 0 HIABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225339733 568630436 /nfs/dbraw/zinc/63/04/36/568630436.db2.gz XIXWVQVKFHJYJW-HXUWFJFHSA-N 1 2 410.558 4.034 40 0 HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257271127 568795948 /nfs/dbraw/zinc/79/59/48/568795948.db2.gz MWZLMQLSFJSGDJ-QFIPXVFZSA-N 1 2 418.472 4.426 40 0 HIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(C)ccc1C ZINC000261362101 568819281 /nfs/dbraw/zinc/81/92/81/568819281.db2.gz CCWXNGVKCVFTCI-JOCHJYFZSA-O 1 2 421.546 4.169 40 0 HIABLO C[C@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328956968 568969537 /nfs/dbraw/zinc/96/95/37/568969537.db2.gz AHPDMAXIRLBCST-CYBMUJFWSA-N 1 2 420.460 4.136 40 0 HIABLO CCNc1nc(NCc2cccc(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328959899 568969722 /nfs/dbraw/zinc/96/97/22/568969722.db2.gz AVLZGWYEYMJBDE-UHFFFAOYSA-N 1 2 402.420 4.238 40 0 HIABLO Brc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328980433 568971001 /nfs/dbraw/zinc/97/10/01/568971001.db2.gz GNEACWUVLPOWNT-UHFFFAOYSA-N 1 2 424.346 4.112 40 0 HIABLO Brc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCC2)n1 ZINC000329041233 568974293 /nfs/dbraw/zinc/97/42/93/568974293.db2.gz SGSFIRSETKLZJK-UHFFFAOYSA-N 1 2 424.346 4.112 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000229843791 569287054 /nfs/dbraw/zinc/28/70/54/569287054.db2.gz DBQZSLHCGAHLMD-VGOFRKELSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000229843791 569287055 /nfs/dbraw/zinc/28/70/55/569287055.db2.gz DBQZSLHCGAHLMD-VGOFRKELSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc(C)c(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000008433907 569340991 /nfs/dbraw/zinc/34/09/91/569340991.db2.gz PVBNSYCEFYTAJF-UHFFFAOYSA-N 1 2 416.521 4.488 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@@H]2C[N@H+](Cc3cn(CC)nc3C)CCO2)nc1 ZINC000019692369 569346063 /nfs/dbraw/zinc/34/60/63/569346063.db2.gz VKTDNCWPUDYCLI-VWLOTQADSA-N 1 2 420.557 4.169 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@@H]2C[N@@H+](Cc3cn(CC)nc3C)CCO2)nc1 ZINC000019692369 569346064 /nfs/dbraw/zinc/34/60/64/569346064.db2.gz VKTDNCWPUDYCLI-VWLOTQADSA-N 1 2 420.557 4.169 40 0 HIABLO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3F)[N@H+]2Cc2cncn2Cc2ccccc2)N1 ZINC000019713821 569348496 /nfs/dbraw/zinc/34/84/96/569348496.db2.gz AIBDCXBGZNDMDM-RBZQAINGSA-N 1 2 418.516 4.055 40 0 HIABLO O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3F)[N@@H+]2Cc2cncn2Cc2ccccc2)N1 ZINC000019713821 569348497 /nfs/dbraw/zinc/34/84/97/569348497.db2.gz AIBDCXBGZNDMDM-RBZQAINGSA-N 1 2 418.516 4.055 40 0 HIABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@H]1c1cccs1 ZINC000261363984 569413529 /nfs/dbraw/zinc/41/35/29/569413529.db2.gz IXDRNWFJIDHVTQ-IBGZPJMESA-O 1 2 413.548 4.004 40 0 HIABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1 ZINC000261363669 569413555 /nfs/dbraw/zinc/41/35/55/569413555.db2.gz VMOMORAARLEZKI-HXUWFJFHSA-O 1 2 409.535 4.487 40 0 HIABLO O=C(c1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675850 291270059 /nfs/dbraw/zinc/27/00/59/291270059.db2.gz XVSJVXRMYYFIRJ-SFHVURJKSA-N 1 2 405.845 4.053 40 0 biogenic,in-vitro HIABLO O=C(c1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675850 291270061 /nfs/dbraw/zinc/27/00/61/291270061.db2.gz XVSJVXRMYYFIRJ-SFHVURJKSA-N 1 2 405.845 4.053 40 0 biogenic,in-vitro HIABLO O=C(c1cccs1)N(C(=S)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000001635196 132247162 /nfs/dbraw/zinc/24/71/62/132247162.db2.gz QQSVHOFXAVINFJ-UHFFFAOYSA-N 1 2 414.600 4.025 40 0 HIABLO C[C@@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)CC[C@@H]1O ZINC000012221188 132357030 /nfs/dbraw/zinc/35/70/30/132357030.db2.gz FPIOQGZFJSUVQJ-BZNIZROVSA-N 1 2 404.301 4.048 40 0 HIABLO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000035853310 557829020 /nfs/dbraw/zinc/82/90/20/557829020.db2.gz VLKAZUNKRJSUKX-UHFFFAOYSA-N 1 2 403.501 4.396 40 0 HIABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000012117057 558328810 /nfs/dbraw/zinc/32/88/10/558328810.db2.gz UPXPKGJSSGXUAZ-QFIPXVFZSA-N 1 2 406.530 4.267 40 0 HIABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000012117057 558328812 /nfs/dbraw/zinc/32/88/12/558328812.db2.gz UPXPKGJSSGXUAZ-QFIPXVFZSA-N 1 2 406.530 4.267 40 0 HIABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000012117058 558328820 /nfs/dbraw/zinc/32/88/20/558328820.db2.gz UPXPKGJSSGXUAZ-JOCHJYFZSA-N 1 2 406.530 4.267 40 0 HIABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@@H+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000012117058 558328822 /nfs/dbraw/zinc/32/88/22/558328822.db2.gz UPXPKGJSSGXUAZ-JOCHJYFZSA-N 1 2 406.530 4.267 40 0 HIABLO CC(C)N1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635210 558553579 /nfs/dbraw/zinc/55/35/79/558553579.db2.gz YVXSWMZNGDCWBD-OAQYLSRUSA-N 1 2 410.315 4.075 40 0 HIABLO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016704530 558801490 /nfs/dbraw/zinc/80/14/90/558801490.db2.gz TYYWBANWENEUPT-UHFFFAOYSA-N 1 2 404.539 4.389 40 0 HIABLO Cc1ccc(C2(CNC(=O)CCc3[nH]c4c(cc(C)cc4C)[nH+]3)CCOCC2)cc1 ZINC000019208664 558847655 /nfs/dbraw/zinc/84/76/55/558847655.db2.gz MDPVZRHCDDUIHI-UHFFFAOYSA-N 1 2 405.542 4.285 40 0 HIABLO Cn1ccnc1C(=O)N1CCC[C@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019291150 558863431 /nfs/dbraw/zinc/86/34/31/558863431.db2.gz ASYXTPBGOBMEFJ-AWEZNQCLSA-N 1 2 424.505 4.032 40 0 HIABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000019453693 558891055 /nfs/dbraw/zinc/89/10/55/558891055.db2.gz LWVSMUQIECEAHE-UHFFFAOYSA-N 1 2 420.479 4.014 40 0 HIABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000019453693 558891057 /nfs/dbraw/zinc/89/10/57/558891057.db2.gz LWVSMUQIECEAHE-UHFFFAOYSA-N 1 2 420.479 4.014 40 0 HIABLO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)c1 ZINC000019565150 558925312 /nfs/dbraw/zinc/92/53/12/558925312.db2.gz YJDLICKAOUJXQD-GOSISDBHSA-N 1 2 421.497 4.324 40 0 HIABLO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)c1 ZINC000019565150 558925314 /nfs/dbraw/zinc/92/53/14/558925314.db2.gz YJDLICKAOUJXQD-GOSISDBHSA-N 1 2 421.497 4.324 40 0 HIABLO COc1cc(C)c(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC ZINC000019567112 558926470 /nfs/dbraw/zinc/92/64/70/558926470.db2.gz RHGAMKKWNMWBLT-UHFFFAOYSA-N 1 2 410.562 4.084 40 0 HIABLO COc1cc(C)c(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC ZINC000019567112 558926472 /nfs/dbraw/zinc/92/64/72/558926472.db2.gz RHGAMKKWNMWBLT-UHFFFAOYSA-N 1 2 410.562 4.084 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1)Nc1nccs1 ZINC000072348907 558945644 /nfs/dbraw/zinc/94/56/44/558945644.db2.gz PGRWFPHDKGKTBD-KRWDZBQOSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1)Nc1nccs1 ZINC000072348907 558945646 /nfs/dbraw/zinc/94/56/46/558945646.db2.gz PGRWFPHDKGKTBD-KRWDZBQOSA-N 1 2 410.518 4.086 40 0 HIABLO COc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348888 558945718 /nfs/dbraw/zinc/94/57/18/558945718.db2.gz LJGUOGOSYMVGIK-KRWDZBQOSA-N 1 2 408.527 4.032 40 0 HIABLO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348888 558945720 /nfs/dbraw/zinc/94/57/20/558945720.db2.gz LJGUOGOSYMVGIK-KRWDZBQOSA-N 1 2 408.527 4.032 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)Nc1nccs1 ZINC000072348905 558945729 /nfs/dbraw/zinc/94/57/29/558945729.db2.gz IHULXYWQKRZTPT-UHFFFAOYSA-N 1 2 410.518 4.086 40 0 HIABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)[nH+]2)C1 ZINC000072353892 558951045 /nfs/dbraw/zinc/95/10/45/558951045.db2.gz XCPHFOQZSGIZPS-QFIPXVFZSA-N 1 2 415.603 4.055 40 0 HIABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379249 558967974 /nfs/dbraw/zinc/96/79/74/558967974.db2.gz FTEUPCOLATXDAI-LJQANCHMSA-N 1 2 406.505 4.308 40 0 HIABLO COCC(=O)N1CCC[C@@H](c2[nH+]c(Nc3ccccc3F)n3c(C)c(C)sc23)C1 ZINC000072390985 558970967 /nfs/dbraw/zinc/97/09/67/558970967.db2.gz AOEHLLFHGKKQRD-OAHLLOKOSA-N 1 2 416.522 4.248 40 0 HIABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257262560 559284924 /nfs/dbraw/zinc/28/49/24/559284924.db2.gz LLXOZBPBWRFEMZ-FQEVSTJZSA-N 1 2 415.493 4.009 40 0 HIABLO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCn4cc[nH+]c4)CCOCC3)c2)c1 ZINC000257304228 559286031 /nfs/dbraw/zinc/28/60/31/559286031.db2.gz SKQHHSDJSPFCGX-UHFFFAOYSA-N 1 2 417.553 4.323 40 0 HIABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514288715 560034071 /nfs/dbraw/zinc/03/40/71/560034071.db2.gz XJNHXTBUHGAWOL-AEFFLSMTSA-N 1 2 410.823 4.076 40 0 biogenic,in-vitro HIABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514288715 560034072 /nfs/dbraw/zinc/03/40/72/560034072.db2.gz XJNHXTBUHGAWOL-AEFFLSMTSA-N 1 2 410.823 4.076 40 0 biogenic,in-vitro HIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(C)CC3)cc2c1 ZINC000000908612 560545780 /nfs/dbraw/zinc/54/57/80/560545780.db2.gz BOSZXDGJUCENOU-OAQYLSRUSA-N 1 2 422.577 4.043 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000910081 560546076 /nfs/dbraw/zinc/54/60/76/560546076.db2.gz DWHNSNDRZRPFLM-OAQYLSRUSA-N 1 2 422.577 4.098 40 0 HIABLO COc1ccc(OC)c(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2C)c1 ZINC000001346275 560576352 /nfs/dbraw/zinc/57/63/52/560576352.db2.gz MVNCOKUQXGZQRO-UHFFFAOYSA-N 1 2 420.494 4.116 40 0 HIABLO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000004906877 560617713 /nfs/dbraw/zinc/61/77/13/560617713.db2.gz XRXAMYQDEXVQMP-HXUWFJFHSA-N 1 2 401.466 4.037 40 0 HIABLO c1ccc(CC2CC[NH+]([C@H](c3nnnn3Cc3ccccc3)c3cccnc3)CC2)cc1 ZINC000004925469 560618717 /nfs/dbraw/zinc/61/87/17/560618717.db2.gz LIMXGDQSTVLUOK-VWLOTQADSA-N 1 2 424.552 4.161 40 0 HIABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409103650 560675556 /nfs/dbraw/zinc/67/55/56/560675556.db2.gz AVHHDGNOAUIZPN-XSFVSMFZSA-N 1 2 406.873 4.294 40 0 HIABLO Cc1ccc([C@H](c2nnnn2CCc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121067 560880772 /nfs/dbraw/zinc/88/07/72/560880772.db2.gz HCUPAKSFQPSIHU-RUZDIDTESA-N 1 2 409.537 4.372 40 0 HIABLO Cc1ccc([C@H](c2nnnn2CCc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121067 560880773 /nfs/dbraw/zinc/88/07/73/560880773.db2.gz HCUPAKSFQPSIHU-RUZDIDTESA-N 1 2 409.537 4.372 40 0 HIABLO CCCCOCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OC ZINC000224444010 568581381 /nfs/dbraw/zinc/58/13/81/568581381.db2.gz RKSKOJCLARIEGD-DHZHZOJOSA-N 1 2 422.569 4.483 40 0 HIABLO CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000224732595 568594097 /nfs/dbraw/zinc/59/40/97/568594097.db2.gz CVAHVOOPEUQDCV-UHFFFAOYSA-N 1 2 415.497 4.209 40 0 HIABLO FC(F)(F)c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000225778169 568673808 /nfs/dbraw/zinc/67/38/08/568673808.db2.gz LPEBWIGDPFRSPY-UHFFFAOYSA-N 1 2 409.477 4.024 40 0 HIABLO Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225796155 568675522 /nfs/dbraw/zinc/67/55/22/568675522.db2.gz ZMNDANDPZVLEAH-VMPITWQZSA-N 1 2 416.500 4.062 40 0 HIABLO Cc1nnc(Nc2cccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257237914 568786843 /nfs/dbraw/zinc/78/68/43/568786843.db2.gz HITXKRKLVZTBSB-HXUWFJFHSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1nnc(Nc2cccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257237914 568786846 /nfs/dbraw/zinc/78/68/46/568786846.db2.gz HITXKRKLVZTBSB-HXUWFJFHSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257242303 568788074 /nfs/dbraw/zinc/78/80/74/568788074.db2.gz IBWAEDLITPPTAS-NRFANRHFSA-N 1 2 418.476 4.118 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257242303 568788076 /nfs/dbraw/zinc/78/80/76/568788076.db2.gz IBWAEDLITPPTAS-NRFANRHFSA-N 1 2 418.476 4.118 40 0 HIABLO O=C(C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1)Nc1cc(F)ccc1F ZINC000257269225 568795369 /nfs/dbraw/zinc/79/53/69/568795369.db2.gz MPCJECQNYCPNLU-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257277747 568797798 /nfs/dbraw/zinc/79/77/98/568797798.db2.gz NZEVGPNELPZICS-HSZRJFAPSA-N 1 2 419.529 4.123 40 0 HIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257277747 568797800 /nfs/dbraw/zinc/79/78/00/568797800.db2.gz NZEVGPNELPZICS-HSZRJFAPSA-N 1 2 419.529 4.123 40 0 HIABLO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](CCCc3ccccc3)CCO2)n[nH]1 ZINC000257318432 568809772 /nfs/dbraw/zinc/80/97/72/568809772.db2.gz VNWLYFDSZPOGMW-XMMPIXPASA-N 1 2 409.505 4.176 40 0 HIABLO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)n[nH]1 ZINC000257318432 568809773 /nfs/dbraw/zinc/80/97/73/568809773.db2.gz VNWLYFDSZPOGMW-XMMPIXPASA-N 1 2 409.505 4.176 40 0 HIABLO Cc1cc(C)cc(OC[C@@H](C)Nc2cc(-c3cc(C(C)(C)C)nn3C)[nH+]c(N)n2)c1 ZINC000257324745 568811872 /nfs/dbraw/zinc/81/18/72/568811872.db2.gz WPZCCPWHNGVICT-MRXNPFEDSA-N 1 2 408.550 4.253 40 0 HIABLO CC(C)Nc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329002211 568972145 /nfs/dbraw/zinc/97/21/45/568972145.db2.gz KGSHTENCCYUFMH-UHFFFAOYSA-N 1 2 420.410 4.458 40 0 HIABLO O=C(CSCc1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020242097 569349620 /nfs/dbraw/zinc/34/96/20/569349620.db2.gz OPRKAOPIPNJRDZ-RMKNXTFCSA-N 1 2 400.975 4.431 40 0 HIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261364277 569413755 /nfs/dbraw/zinc/41/37/55/569413755.db2.gz KKVRNJBKPQIWBS-HXUWFJFHSA-O 1 2 417.518 4.001 40 0 HIABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035425160 291264392 /nfs/dbraw/zinc/26/43/92/291264392.db2.gz SDPSXAUOGAPGED-SFHVURJKSA-N 1 2 413.909 4.180 40 0 biogenic,in-vitro HIABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035425160 291264394 /nfs/dbraw/zinc/26/43/94/291264394.db2.gz SDPSXAUOGAPGED-SFHVURJKSA-N 1 2 413.909 4.180 40 0 biogenic,in-vitro HIABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000044904339 527232320 /nfs/dbraw/zinc/23/23/20/527232320.db2.gz BOFXWVPGIGERRO-UHFFFAOYSA-N 1 2 405.479 4.143 40 0 HIABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000004966697 557617883 /nfs/dbraw/zinc/61/78/83/557617883.db2.gz AUHFYVVBCVWIEB-UHFFFAOYSA-N 1 2 415.331 4.291 40 0 HIABLO Cc1cc(Nc2cccc(C(=O)NCCc3cn(C)c4ccc(F)cc34)c2)nc(C)[nH+]1 ZINC000035317036 557691792 /nfs/dbraw/zinc/69/17/92/557691792.db2.gz MBEXQPNJYKVZER-UHFFFAOYSA-N 1 2 417.488 4.440 40 0 HIABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000012116375 558328590 /nfs/dbraw/zinc/32/85/90/558328590.db2.gz XEKNCGRUPILTPS-UHFFFAOYSA-N 1 2 415.541 4.113 40 0 HIABLO CCOc1cc([C@@H]2[NH2+][C@H](c3ccccn3)Cc3cc(OC)c(OC)cc32)ccc1OC ZINC000019532169 558912411 /nfs/dbraw/zinc/91/24/11/558912411.db2.gz DSKLPLKAYHNJPH-CPJSRVTESA-N 1 2 420.509 4.483 40 0 HIABLO Cc1sc2c([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)[nH+]c(Nc3ccccc3)n2c1C ZINC000019561732 558922645 /nfs/dbraw/zinc/92/26/45/558922645.db2.gz SHWAWHGPRRQLEU-MRXNPFEDSA-N 1 2 420.542 4.499 40 0 HIABLO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)nc1C ZINC000072345523 558942055 /nfs/dbraw/zinc/94/20/55/558942055.db2.gz QGELWGXTEUKRKS-NRFANRHFSA-N 1 2 414.525 4.012 40 0 HIABLO CCN(CC)C(=O)c1cnc([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)nc1C ZINC000072345523 558942058 /nfs/dbraw/zinc/94/20/58/558942058.db2.gz QGELWGXTEUKRKS-NRFANRHFSA-N 1 2 414.525 4.012 40 0 HIABLO Cc1cccnc1Nc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)nc1 ZINC000072353007 558949478 /nfs/dbraw/zinc/94/94/78/558949478.db2.gz PQHLOEAEKPAYER-OAQYLSRUSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccnc1Nc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)nc1 ZINC000072353007 558949481 /nfs/dbraw/zinc/94/94/81/558949481.db2.gz PQHLOEAEKPAYER-OAQYLSRUSA-N 1 2 405.477 4.443 40 0 HIABLO COc1ccccc1CCC(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019688755 558958214 /nfs/dbraw/zinc/95/82/14/558958214.db2.gz MNFVKMSTLIROIT-OAQYLSRUSA-N 1 2 416.525 4.073 40 0 HIABLO COc1c(C)cccc1C(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689307 558958786 /nfs/dbraw/zinc/95/87/86/558958786.db2.gz JOLRBXHRMXXXJR-LJQANCHMSA-N 1 2 402.498 4.063 40 0 HIABLO Cc1ccccc1C[N@H+](C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019698576 558966188 /nfs/dbraw/zinc/96/61/88/558966188.db2.gz RAEVBGUJNQVTKW-UHFFFAOYSA-N 1 2 418.516 4.344 40 0 HIABLO Cc1ccccc1C[N@@H+](C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019698576 558966190 /nfs/dbraw/zinc/96/61/90/558966190.db2.gz RAEVBGUJNQVTKW-UHFFFAOYSA-N 1 2 418.516 4.344 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378561 558967528 /nfs/dbraw/zinc/96/75/28/558967528.db2.gz XAHPVTSKONFRCU-OAQYLSRUSA-N 1 2 403.530 4.472 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072378924 558967791 /nfs/dbraw/zinc/96/77/91/558967791.db2.gz LPLMGVLGDLYWAN-LJQANCHMSA-N 1 2 406.505 4.479 40 0 HIABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379250 558968131 /nfs/dbraw/zinc/96/81/31/558968131.db2.gz FTEUPCOLATXDAI-IBGZPJMESA-N 1 2 406.505 4.308 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1ccc(F)cc1F)N(Cc1ccccc1)CC2 ZINC000096037500 559091260 /nfs/dbraw/zinc/09/12/60/559091260.db2.gz HDLPKOVVSQUPBA-HSZRJFAPSA-N 1 2 424.495 4.158 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1cc(F)cc(F)c1)N(Cc1ccccc1)CC2 ZINC000096037517 559091264 /nfs/dbraw/zinc/09/12/64/559091264.db2.gz AEOOAOOEDNQRNY-QHCPKHFHSA-N 1 2 424.495 4.158 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)cc1F)N(Cc1ccccc1)CC2 ZINC000096037503 559091283 /nfs/dbraw/zinc/09/12/83/559091283.db2.gz VDHWMRLCIAAYRH-QFIPXVFZSA-N 1 2 410.468 4.480 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc12 ZINC000000894111 560543620 /nfs/dbraw/zinc/54/36/20/560543620.db2.gz QYULKUPURIZNQG-JOCHJYFZSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc12 ZINC000000894110 560543629 /nfs/dbraw/zinc/54/36/29/560543629.db2.gz QYULKUPURIZNQG-QFIPXVFZSA-N 1 2 420.561 4.068 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000909826 560546014 /nfs/dbraw/zinc/54/60/14/560546014.db2.gz LYCVOTUYZBOOPL-OAQYLSRUSA-N 1 2 422.577 4.098 40 0 HIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000910082 560546084 /nfs/dbraw/zinc/54/60/84/560546084.db2.gz DWHNSNDRZRPFLM-NRFANRHFSA-N 1 2 422.577 4.098 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000004160585 560601556 /nfs/dbraw/zinc/60/15/56/560601556.db2.gz DBQZSLHCGAHLMD-JTSKRJEESA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000004160585 560601557 /nfs/dbraw/zinc/60/15/57/560601557.db2.gz DBQZSLHCGAHLMD-JTSKRJEESA-N 1 2 420.561 4.150 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595736 560738110 /nfs/dbraw/zinc/73/81/10/560738110.db2.gz SBTVMESSHMQYSJ-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595736 560738111 /nfs/dbraw/zinc/73/81/11/560738111.db2.gz SBTVMESSHMQYSJ-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc2[nH]c(CCN(C(=S)NC[C@H]3CCCO3)C3CCCC3)[nH+]c2cc1C ZINC000013555907 560815753 /nfs/dbraw/zinc/81/57/53/560815753.db2.gz NKMVYFQPPRRHFR-GOSISDBHSA-N 1 2 400.592 4.020 40 0 HIABLO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCCC2)c1 ZINC000225509659 568644829 /nfs/dbraw/zinc/64/48/29/568644829.db2.gz SKULFTWDULEOBO-UHFFFAOYSA-N 1 2 408.542 4.157 40 0 HIABLO Cc1nnc(Nc2cccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257215291 568780657 /nfs/dbraw/zinc/78/06/57/568780657.db2.gz CPMFFIDNKJJHKB-FQEVSTJZSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1nnc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257215291 568780659 /nfs/dbraw/zinc/78/06/59/568780659.db2.gz CPMFFIDNKJJHKB-FQEVSTJZSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1cc(Nc2nncs2)cc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257221606 568782441 /nfs/dbraw/zinc/78/24/41/568782441.db2.gz DPVGFYFSQJBUQH-OAQYLSRUSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1cc(Nc2nncs2)cc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257221606 568782444 /nfs/dbraw/zinc/78/24/44/568782444.db2.gz DPVGFYFSQJBUQH-OAQYLSRUSA-N 1 2 418.526 4.107 40 0 HIABLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257234581 568786073 /nfs/dbraw/zinc/78/60/73/568786073.db2.gz GUFNPSATGHHVHT-GMAHTHKFSA-N 1 2 416.949 4.306 40 0 HIABLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257234581 568786075 /nfs/dbraw/zinc/78/60/75/568786075.db2.gz GUFNPSATGHHVHT-GMAHTHKFSA-N 1 2 416.949 4.306 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1c(F)cccc1F ZINC000257237249 568786973 /nfs/dbraw/zinc/78/69/73/568786973.db2.gz HFTGHEKVWNITMT-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO Cc1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000257268113 568795219 /nfs/dbraw/zinc/79/52/19/568795219.db2.gz MKGZSVQDWROKGH-XMMPIXPASA-N 1 2 402.542 4.015 40 0 HIABLO Cc1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000257268113 568795221 /nfs/dbraw/zinc/79/52/21/568795221.db2.gz MKGZSVQDWROKGH-XMMPIXPASA-N 1 2 402.542 4.015 40 0 HIABLO Fc1ccccc1-c1cncc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257272144 568796209 /nfs/dbraw/zinc/79/62/09/568796209.db2.gz NBGIKNDLKOXLET-XMMPIXPASA-N 1 2 400.457 4.404 40 0 HIABLO Fc1ccccc1-c1cncc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257272144 568796211 /nfs/dbraw/zinc/79/62/11/568796211.db2.gz NBGIKNDLKOXLET-XMMPIXPASA-N 1 2 400.457 4.404 40 0 HIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257277748 568797677 /nfs/dbraw/zinc/79/76/77/568797677.db2.gz NZEVGPNELPZICS-QHCPKHFHSA-N 1 2 419.529 4.123 40 0 HIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257277748 568797679 /nfs/dbraw/zinc/79/76/79/568797679.db2.gz NZEVGPNELPZICS-QHCPKHFHSA-N 1 2 419.529 4.123 40 0 HIABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)CC4CCCCC4)CCO3)c2)n1 ZINC000257292504 568802265 /nfs/dbraw/zinc/80/22/65/568802265.db2.gz QLVOZTZJCGYOLO-QFIPXVFZSA-N 1 2 423.561 4.411 40 0 HIABLO COc1ccc(C[N@@H+]2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)cc1O ZINC000257301674 568804818 /nfs/dbraw/zinc/80/48/18/568804818.db2.gz RZJAFGJKGKNTAE-TUSQITKMSA-N 1 2 411.542 4.406 40 0 HIABLO COc1ccc(C[N@H+]2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)cc1O ZINC000257301674 568804821 /nfs/dbraw/zinc/80/48/21/568804821.db2.gz RZJAFGJKGKNTAE-TUSQITKMSA-N 1 2 411.542 4.406 40 0 HIABLO CNc1cc([C@H]2CCCN2C(=O)c2cccnc2Nc2cccc(OC)c2)cc[nH+]1 ZINC000257324361 568811550 /nfs/dbraw/zinc/81/15/50/568811550.db2.gz WOIRVCUCUXVIBX-HXUWFJFHSA-N 1 2 403.486 4.248 40 0 HIABLO O=C(c1cccc(NCc2cccnc2)c1)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257326576 568812238 /nfs/dbraw/zinc/81/22/38/568812238.db2.gz WXSCKVVTTIEKJB-HSZRJFAPSA-N 1 2 424.508 4.252 40 0 HIABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000257336334 568815017 /nfs/dbraw/zinc/81/50/17/568815017.db2.gz YNZQLZCXEYQIAK-QHCPKHFHSA-N 1 2 410.949 4.250 40 0 HIABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000257336334 568815020 /nfs/dbraw/zinc/81/50/20/568815020.db2.gz YNZQLZCXEYQIAK-QHCPKHFHSA-N 1 2 410.949 4.250 40 0 HIABLO CC(C)n1c2c(n3cc(-c4ccc(F)cc4)[nH+]c31)CN(C(=O)Cc1ccco1)CC2 ZINC000306130042 568892450 /nfs/dbraw/zinc/89/24/50/568892450.db2.gz IUWGZYLJBXBRLV-UHFFFAOYSA-N 1 2 406.461 4.243 40 0 HIABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccco3)nc(NC3CCCC3)[nH+]2)c1 ZINC000329015942 568972830 /nfs/dbraw/zinc/97/28/30/568972830.db2.gz NEGHYNLKVYHWQM-UHFFFAOYSA-N 1 2 418.419 4.446 40 0 HIABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1CCCc1ccccc1 ZINC000015707046 291264123 /nfs/dbraw/zinc/26/41/23/291264123.db2.gz FDVPMKGEFZCXFS-QFIPXVFZSA-N 1 2 423.944 4.117 40 0 biogenic,in-vitro HIABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2cc1C ZINC000096112353 291267911 /nfs/dbraw/zinc/26/79/11/291267911.db2.gz MLYMHCGEUIFTSU-XXBNENTESA-N 1 2 404.489 4.467 40 0 biogenic,in-vitro HIABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2cc1C ZINC000096112353 291267914 /nfs/dbraw/zinc/26/79/14/291267914.db2.gz MLYMHCGEUIFTSU-XXBNENTESA-N 1 2 404.489 4.467 40 0 biogenic,in-vitro HIABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675816 291268075 /nfs/dbraw/zinc/26/80/75/291268075.db2.gz FQLXPHSLMPQINO-FQEVSTJZSA-N 1 2 414.469 4.408 40 0 biogenic,in-vitro HIABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675816 291268077 /nfs/dbraw/zinc/26/80/77/291268077.db2.gz FQLXPHSLMPQINO-FQEVSTJZSA-N 1 2 414.469 4.408 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674269 291271071 /nfs/dbraw/zinc/27/10/71/291271071.db2.gz MQOPKAFOKMJGBI-DOMZBBRYSA-N 1 2 411.405 4.005 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674269 291271072 /nfs/dbraw/zinc/27/10/72/291271072.db2.gz MQOPKAFOKMJGBI-DOMZBBRYSA-N 1 2 411.405 4.005 40 0 biogenic,in-vitro HIABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1F ZINC000041091737 525398305 /nfs/dbraw/zinc/39/83/05/525398305.db2.gz DYTMZAABYNSCFB-UHFFFAOYSA-N 1 2 424.541 4.230 40 0 HIABLO COC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408576618 557479725 /nfs/dbraw/zinc/47/97/25/557479725.db2.gz XOJGLPLIUKLWNI-QGOAFFKASA-N 1 2 422.506 4.295 40 0 HIABLO COC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408576618 557479729 /nfs/dbraw/zinc/47/97/29/557479729.db2.gz XOJGLPLIUKLWNI-QGOAFFKASA-N 1 2 422.506 4.295 40 0 HIABLO Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cnn(Cc4ccccc4F)c3)c2c1 ZINC000035316776 557691608 /nfs/dbraw/zinc/69/16/08/557691608.db2.gz HGSHGDPKGDXEFN-UHFFFAOYSA-N 1 2 404.445 4.253 40 0 HIABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019719285 558258033 /nfs/dbraw/zinc/25/80/33/558258033.db2.gz DKZZPKBAJAFWHR-IBGZPJMESA-N 1 2 415.541 4.418 40 0 HIABLO COc1cccc(-c2nc3c(s2)C[N@H+](CC(=O)Nc2cccc(F)c2C)CC3)c1 ZINC000019719847 558258222 /nfs/dbraw/zinc/25/82/22/558258222.db2.gz AQUIYYXLFOIIPY-UHFFFAOYSA-N 1 2 411.502 4.263 40 0 HIABLO COc1cccc(-c2nc3c(s2)C[N@@H+](CC(=O)Nc2cccc(F)c2C)CC3)c1 ZINC000019719847 558258225 /nfs/dbraw/zinc/25/82/25/558258225.db2.gz AQUIYYXLFOIIPY-UHFFFAOYSA-N 1 2 411.502 4.263 40 0 HIABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2ccncc2)nc1C ZINC000019753396 558272794 /nfs/dbraw/zinc/27/27/94/558272794.db2.gz IBHMLSNXVHVXLH-OAQYLSRUSA-N 1 2 417.513 4.168 40 0 HIABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2ccncc2)nc1C ZINC000019753396 558272796 /nfs/dbraw/zinc/27/27/96/558272796.db2.gz IBHMLSNXVHVXLH-OAQYLSRUSA-N 1 2 417.513 4.168 40 0 HIABLO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019753527 558272832 /nfs/dbraw/zinc/27/28/32/558272832.db2.gz WWDWZOHWZCCBPJ-QFIPXVFZSA-N 1 2 420.488 4.392 40 0 HIABLO Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019753527 558272834 /nfs/dbraw/zinc/27/28/34/558272834.db2.gz WWDWZOHWZCCBPJ-QFIPXVFZSA-N 1 2 420.488 4.392 40 0 HIABLO O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020049966 558328276 /nfs/dbraw/zinc/32/82/76/558328276.db2.gz ICUSZJJIEVXGPR-UHFFFAOYSA-N 1 2 402.494 4.350 40 0 HIABLO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@@H](c3ccco3)c3ccccc3)cc12 ZINC000012186464 558345649 /nfs/dbraw/zinc/34/56/49/558345649.db2.gz GJMXNASKRUNKHO-HSZRJFAPSA-N 1 2 410.477 4.494 40 0 HIABLO O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020461703 558373385 /nfs/dbraw/zinc/37/33/85/558373385.db2.gz BZEFLLDSFCNWRQ-UHFFFAOYSA-N 1 2 409.711 4.187 40 0 HIABLO COC[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000022012565 558457784 /nfs/dbraw/zinc/45/77/84/558457784.db2.gz JOBAOQKTQRZNNY-YOEHRIQHSA-N 1 2 402.457 4.334 40 0 HIABLO COC[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000022012565 558457787 /nfs/dbraw/zinc/45/77/87/558457787.db2.gz JOBAOQKTQRZNNY-YOEHRIQHSA-N 1 2 402.457 4.334 40 0 HIABLO Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022245972 558472112 /nfs/dbraw/zinc/47/21/12/558472112.db2.gz UOFIVWDIIBUFAS-UHFFFAOYSA-N 1 2 410.518 4.292 40 0 HIABLO COc1ccc([C@@H](c2c3c(sc2NC(C)=O)CCCC3)[NH+]2CCOCC2)cc1 ZINC000020192247 558756254 /nfs/dbraw/zinc/75/62/54/558756254.db2.gz OYQKIDKWASZYOD-NRFANRHFSA-N 1 2 400.544 4.016 40 0 HIABLO Cc1ccc2oc(C(=O)N3CCN([C@H](c4[nH+]ccn4C)c4ccccc4)CC3)cc2c1 ZINC000019221331 558851962 /nfs/dbraw/zinc/85/19/62/558851962.db2.gz VYQLGSRJJUDXKI-QHCPKHFHSA-N 1 2 414.509 4.022 40 0 HIABLO O[C@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072340710 558939286 /nfs/dbraw/zinc/93/92/86/558939286.db2.gz DAKNTEOJRXMOAS-QHCPKHFHSA-N 1 2 411.908 4.278 40 0 HIABLO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348887 558945505 /nfs/dbraw/zinc/94/55/05/558945505.db2.gz LJGUOGOSYMVGIK-QGZVFWFLSA-N 1 2 408.527 4.032 40 0 HIABLO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)c1 ZINC000072348887 558945506 /nfs/dbraw/zinc/94/55/06/558945506.db2.gz LJGUOGOSYMVGIK-QGZVFWFLSA-N 1 2 408.527 4.032 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370224 558956660 /nfs/dbraw/zinc/95/66/60/558956660.db2.gz RQLALYGABBVWAN-HXUWFJFHSA-N 1 2 417.534 4.383 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370224 558956662 /nfs/dbraw/zinc/95/66/62/558956662.db2.gz RQLALYGABBVWAN-HXUWFJFHSA-N 1 2 417.534 4.383 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)s1 ZINC000072375971 558965137 /nfs/dbraw/zinc/96/51/37/558965137.db2.gz FFKNNFPYFDNWFD-QGZVFWFLSA-N 1 2 422.558 4.112 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)s1 ZINC000072375971 558965139 /nfs/dbraw/zinc/96/51/39/558965139.db2.gz FFKNNFPYFDNWFD-QGZVFWFLSA-N 1 2 422.558 4.112 40 0 HIABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)C1 ZINC000072396168 558975194 /nfs/dbraw/zinc/97/51/94/558975194.db2.gz OPJWGJMBMKOWQZ-IBGZPJMESA-N 1 2 419.525 4.228 40 0 HIABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)C1 ZINC000072396168 558975195 /nfs/dbraw/zinc/97/51/95/558975195.db2.gz OPJWGJMBMKOWQZ-IBGZPJMESA-N 1 2 419.525 4.228 40 0 HIABLO c1csc(-c2cnc(N3CC[NH+](Cc4ccccn4)CC3)nc2-c2nccs2)c1 ZINC000072396542 558975349 /nfs/dbraw/zinc/97/53/49/558975349.db2.gz BXLSVEULKGYZSP-UHFFFAOYSA-N 1 2 420.567 4.046 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2F)c1C ZINC000096315935 559109656 /nfs/dbraw/zinc/10/96/56/559109656.db2.gz USGVCMVSIBJADM-SFHVURJKSA-N 1 2 413.472 4.430 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2cccc(F)c2F)c1C ZINC000096315935 559109658 /nfs/dbraw/zinc/10/96/58/559109658.db2.gz USGVCMVSIBJADM-SFHVURJKSA-N 1 2 413.472 4.430 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000889887 560542084 /nfs/dbraw/zinc/54/20/84/560542084.db2.gz COIOXBDYERPYSJ-QFIPXVFZSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000000889298 560542364 /nfs/dbraw/zinc/54/23/64/560542364.db2.gz QUYVXVSXCHNAFR-QFIPXVFZSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000894565 560543381 /nfs/dbraw/zinc/54/33/81/560543381.db2.gz SJSKHWFKYNBQMD-QFIPXVFZSA-N 1 2 420.561 4.212 40 0 HIABLO CC(C)(C)c1csc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000000929835 560557904 /nfs/dbraw/zinc/55/79/04/560557904.db2.gz SYEPBOXYLRVIRT-UHFFFAOYSA-N 1 2 424.555 4.300 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000004160321 560601268 /nfs/dbraw/zinc/60/12/68/560601268.db2.gz MMOCZFRILLWMBY-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000004160321 560601270 /nfs/dbraw/zinc/60/12/70/560601270.db2.gz MMOCZFRILLWMBY-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160348 560601306 /nfs/dbraw/zinc/60/13/06/560601306.db2.gz SBTVMESSHMQYSJ-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160348 560601307 /nfs/dbraw/zinc/60/13/07/560601307.db2.gz SBTVMESSHMQYSJ-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000005446384 560737665 /nfs/dbraw/zinc/73/76/65/560737665.db2.gz DBQZSLHCGAHLMD-VGSWGCGISA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000005446384 560737667 /nfs/dbraw/zinc/73/76/67/560737667.db2.gz DBQZSLHCGAHLMD-VGSWGCGISA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccccc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008433916 560755161 /nfs/dbraw/zinc/75/51/61/560755161.db2.gz GLYKMJKLGVKOSQ-UHFFFAOYSA-N 1 2 402.494 4.179 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020121757 560880892 /nfs/dbraw/zinc/88/08/92/560880892.db2.gz CZPWMGTWFCRINP-QHCPKHFHSA-N 1 2 402.546 4.008 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057671497 568495262 /nfs/dbraw/zinc/49/52/62/568495262.db2.gz FNVWKIDGIOSHNE-NRFANRHFSA-N 1 2 410.591 4.063 40 0 HIABLO Fc1ccc(Cn2nnnc2[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000057710393 568495858 /nfs/dbraw/zinc/49/58/58/568495858.db2.gz MCANRHITABOELN-GOSISDBHSA-N 1 2 405.399 4.065 40 0 HIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1 ZINC000219858576 568499203 /nfs/dbraw/zinc/49/92/03/568499203.db2.gz YGXOUCDRLMNURU-UHFFFAOYSA-N 1 2 405.542 4.476 40 0 HIABLO Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225593607 568655530 /nfs/dbraw/zinc/65/55/30/568655530.db2.gz XWNVZNXOHWIOQH-UHFFFAOYSA-N 1 2 424.541 4.230 40 0 HIABLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccccc2Cl)C1 ZINC000257225527 568783535 /nfs/dbraw/zinc/78/35/35/568783535.db2.gz FGPIIBREPJLEFL-NHCUHLMSSA-N 1 2 416.949 4.322 40 0 HIABLO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccccc2Cl)C1 ZINC000257225527 568783536 /nfs/dbraw/zinc/78/35/36/568783536.db2.gz FGPIIBREPJLEFL-NHCUHLMSSA-N 1 2 416.949 4.322 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000257235751 568786362 /nfs/dbraw/zinc/78/63/62/568786362.db2.gz GZFXYEPITSJCJK-HXUWFJFHSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000257235751 568786363 /nfs/dbraw/zinc/78/63/63/568786363.db2.gz GZFXYEPITSJCJK-HXUWFJFHSA-N 1 2 418.950 4.023 40 0 HIABLO Fc1ccccc1-c1cncc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257272143 568796152 /nfs/dbraw/zinc/79/61/52/568796152.db2.gz NBGIKNDLKOXLET-DEOSSOPVSA-N 1 2 400.457 4.404 40 0 HIABLO Fc1ccccc1-c1cncc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257272143 568796153 /nfs/dbraw/zinc/79/61/53/568796153.db2.gz NBGIKNDLKOXLET-DEOSSOPVSA-N 1 2 400.457 4.404 40 0 HIABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)CC4CCCCC4)CCO3)c2)n1 ZINC000257292503 568802224 /nfs/dbraw/zinc/80/22/24/568802224.db2.gz QLVOZTZJCGYOLO-JOCHJYFZSA-N 1 2 423.561 4.411 40 0 HIABLO Cc1cc(C)cc(OC[C@H](C)Nc2cc(-c3cc(C(C)(C)C)nn3C)[nH+]c(N)n2)c1 ZINC000257324744 568811776 /nfs/dbraw/zinc/81/17/76/568811776.db2.gz WPZCCPWHNGVICT-INIZCTEOSA-N 1 2 408.550 4.253 40 0 HIABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257327090 568812533 /nfs/dbraw/zinc/81/25/33/568812533.db2.gz WZWOBLBFBWQXMB-OAQYLSRUSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257327090 568812535 /nfs/dbraw/zinc/81/25/35/568812535.db2.gz WZWOBLBFBWQXMB-OAQYLSRUSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1[nH+]c2cc(C)ccn2c1CN1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257327090 568812537 /nfs/dbraw/zinc/81/25/37/568812537.db2.gz WZWOBLBFBWQXMB-OAQYLSRUSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CC3)n2)cc1 ZINC000329070838 568975877 /nfs/dbraw/zinc/97/58/77/568975877.db2.gz ZKCWUJWAYBJGBE-UHFFFAOYSA-N 1 2 414.431 4.381 40 0 HIABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000012114623 132354225 /nfs/dbraw/zinc/35/42/25/132354225.db2.gz YVQZUZKXEJZJJK-UHFFFAOYSA-N 1 2 417.534 4.195 40 0 HIABLO Cc1ccccc1[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000044843448 525372699 /nfs/dbraw/zinc/37/26/99/525372699.db2.gz QIKVOYXZRRLGLD-VWLOTQADSA-N 1 2 400.522 4.347 40 0 HIABLO O=C(C[C@@H](C(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000022877058 527096591 /nfs/dbraw/zinc/09/65/91/527096591.db2.gz RWAMIYKVYTXZSS-VWLOTQADSA-N 1 2 412.533 4.329 40 0 HIABLO CN(C)c1ncc(C[N@@H+]2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cn1 ZINC000019719764 558258207 /nfs/dbraw/zinc/25/82/07/558258207.db2.gz LWHMGPOJOYVRLX-UHFFFAOYSA-N 1 2 419.476 4.243 40 0 HIABLO CN(C)c1ncc(C[N@H+]2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cn1 ZINC000019719764 558258211 /nfs/dbraw/zinc/25/82/11/558258211.db2.gz LWHMGPOJOYVRLX-UHFFFAOYSA-N 1 2 419.476 4.243 40 0 HIABLO O=C(CSCc1ccc(Br)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020451867 558366090 /nfs/dbraw/zinc/36/60/90/558366090.db2.gz FWVONUYZKBKFHZ-UHFFFAOYSA-N 1 2 416.344 4.184 40 0 HIABLO c1coc(C[NH+]2CCN(c3ncc(-c4cccs4)c(-c4nccs4)n3)CC2)c1 ZINC000013266388 558528425 /nfs/dbraw/zinc/52/84/25/558528425.db2.gz PPIFVQXMJGKSFI-UHFFFAOYSA-N 1 2 409.540 4.244 40 0 HIABLO CCCCN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635289 558553797 /nfs/dbraw/zinc/55/37/97/558553797.db2.gz RXMVGNPFTLEVOQ-JOCHJYFZSA-N 1 2 424.342 4.466 40 0 HIABLO O=C(NCCSCc1c(F)cccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038853371 558819046 /nfs/dbraw/zinc/81/90/46/558819046.db2.gz IFAZVNPRQYZOIF-UHFFFAOYSA-N 1 2 403.910 4.387 40 0 HIABLO Fc1ccc(Nc2nc(-c3cccnc3)nc3c2C[N@H+](Cc2ccccn2)CC3)cc1 ZINC000019401860 558883815 /nfs/dbraw/zinc/88/38/15/558883815.db2.gz SYPKTFDCKBZLCH-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1ccc(Nc2nc(-c3cccnc3)nc3c2C[N@@H+](Cc2ccccn2)CC3)cc1 ZINC000019401860 558883817 /nfs/dbraw/zinc/88/38/17/558883817.db2.gz SYPKTFDCKBZLCH-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO CCCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c3cnn2-c2ccc(OC)cc2)cn1 ZINC000019502367 558899960 /nfs/dbraw/zinc/89/99/60/558899960.db2.gz DSEKKIUWSCANGL-SIKLNZKXSA-N 1 2 403.530 4.275 40 0 HIABLO CCCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c3cnn2-c2ccc(OC)cc2)cn1 ZINC000019502367 558899961 /nfs/dbraw/zinc/89/99/61/558899961.db2.gz DSEKKIUWSCANGL-SIKLNZKXSA-N 1 2 403.530 4.275 40 0 HIABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC ZINC000019533902 558913558 /nfs/dbraw/zinc/91/35/58/558913558.db2.gz XMBOMDIIZDKGDI-UHFFFAOYSA-N 1 2 410.562 4.166 40 0 HIABLO CCOc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1OC ZINC000019533902 558913560 /nfs/dbraw/zinc/91/35/60/558913560.db2.gz XMBOMDIIZDKGDI-UHFFFAOYSA-N 1 2 410.562 4.166 40 0 HIABLO Cn1ccnc1-c1nc(NCc2ccccc2-n2cc[nH+]c2)ncc1-c1cccs1 ZINC000072342328 558940196 /nfs/dbraw/zinc/94/01/96/558940196.db2.gz HGQLYESOPFFVBN-UHFFFAOYSA-N 1 2 413.510 4.403 40 0 HIABLO COc1cccc(CCCNC(=O)c2sc3ccccc3c2[C@@H]2C[N@H+](C)CCO2)c1 ZINC000072352670 558949194 /nfs/dbraw/zinc/94/91/94/558949194.db2.gz WBZVTWUTHDPQDK-FQEVSTJZSA-N 1 2 424.566 4.276 40 0 HIABLO COc1cccc(CCCNC(=O)c2sc3ccccc3c2[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000072352670 558949196 /nfs/dbraw/zinc/94/91/96/558949196.db2.gz WBZVTWUTHDPQDK-FQEVSTJZSA-N 1 2 424.566 4.276 40 0 HIABLO Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)nc2)[nH+]1 ZINC000072353402 558950480 /nfs/dbraw/zinc/95/04/80/558950480.db2.gz HHASYRGHLNCASE-GOSISDBHSA-N 1 2 420.488 4.453 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370216 558956382 /nfs/dbraw/zinc/95/63/82/558956382.db2.gz NUMIZYAUCMNDJV-HXUWFJFHSA-N 1 2 419.550 4.326 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370216 558956383 /nfs/dbraw/zinc/95/63/83/558956383.db2.gz NUMIZYAUCMNDJV-HXUWFJFHSA-N 1 2 419.550 4.326 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)s1 ZINC000072375972 558965025 /nfs/dbraw/zinc/96/50/25/558965025.db2.gz FFKNNFPYFDNWFD-KRWDZBQOSA-N 1 2 422.558 4.112 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)s1 ZINC000072375972 558965027 /nfs/dbraw/zinc/96/50/27/558965027.db2.gz FFKNNFPYFDNWFD-KRWDZBQOSA-N 1 2 422.558 4.112 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000096315933 559109681 /nfs/dbraw/zinc/10/96/81/559109681.db2.gz RYZGSRGMLSBBOB-IBGZPJMESA-N 1 2 413.472 4.430 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000096315933 559109682 /nfs/dbraw/zinc/10/96/82/559109682.db2.gz RYZGSRGMLSBBOB-IBGZPJMESA-N 1 2 413.472 4.430 40 0 HIABLO O=C(C[NH+]1Cc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156406 559131281 /nfs/dbraw/zinc/13/12/81/559131281.db2.gz HSPRPKPSCLARSZ-CALCHBBNSA-N 1 2 422.554 4.204 40 0 HIABLO Cc1ccc(C(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)c(C)c1 ZINC000000929969 560557732 /nfs/dbraw/zinc/55/77/32/560557732.db2.gz HWXYWNMIDCLIEC-UHFFFAOYSA-N 1 2 405.527 4.068 40 0 HIABLO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000020139272 560880942 /nfs/dbraw/zinc/88/09/42/560880942.db2.gz YDUSAPIFDYWZKS-HSZRJFAPSA-N 1 2 418.589 4.265 40 0 HIABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670782 568494918 /nfs/dbraw/zinc/49/49/18/568494918.db2.gz VRDAWNBFKQPSCN-JOCHJYFZSA-N 1 2 422.552 4.141 40 0 HIABLO Cc1nc2c(c(N(CCCCO)Cc3ccccc3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000057731529 568496464 /nfs/dbraw/zinc/49/64/64/568496464.db2.gz UHXDKZAVHHEAQG-UHFFFAOYSA-N 1 2 416.569 4.122 40 0 HIABLO Cc1nc2c(c(N(CCCCO)Cc3ccccc3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000057731529 568496466 /nfs/dbraw/zinc/49/64/66/568496466.db2.gz UHXDKZAVHHEAQG-UHFFFAOYSA-N 1 2 416.569 4.122 40 0 HIABLO CCCOCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OC ZINC000224420358 568580837 /nfs/dbraw/zinc/58/08/37/568580837.db2.gz XWDQXTUOICBOTL-JXMROGBWSA-N 1 2 408.542 4.093 40 0 HIABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC ZINC000095534322 568635392 /nfs/dbraw/zinc/63/53/92/568635392.db2.gz WLMSOXKZWJJLSL-NRFANRHFSA-N 1 2 410.518 4.137 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 ZINC000257215772 568780683 /nfs/dbraw/zinc/78/06/83/568780683.db2.gz CROTWWKDMDUGAL-DEOSSOPVSA-N 1 2 408.521 4.218 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 ZINC000257215772 568780684 /nfs/dbraw/zinc/78/06/84/568780684.db2.gz CROTWWKDMDUGAL-DEOSSOPVSA-N 1 2 408.521 4.218 40 0 HIABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257238086 568787119 /nfs/dbraw/zinc/78/71/19/568787119.db2.gz HJMZSUJGZDAMPM-JOCHJYFZSA-N 1 2 408.521 4.406 40 0 HIABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257238086 568787120 /nfs/dbraw/zinc/78/71/20/568787120.db2.gz HJMZSUJGZDAMPM-JOCHJYFZSA-N 1 2 408.521 4.406 40 0 HIABLO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000257271416 568795983 /nfs/dbraw/zinc/79/59/83/568795983.db2.gz MYFCRVLNBXGKQK-NRFANRHFSA-N 1 2 424.932 4.109 40 0 HIABLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000257271416 568795984 /nfs/dbraw/zinc/79/59/84/568795984.db2.gz MYFCRVLNBXGKQK-NRFANRHFSA-N 1 2 424.932 4.109 40 0 HIABLO COc1ccccc1/C=C/C[N@@H+]1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257281596 568799011 /nfs/dbraw/zinc/79/90/11/568799011.db2.gz OQBAAGIAXXKXAM-DOHLAZSCSA-N 1 2 420.488 4.455 40 0 HIABLO COc1ccccc1/C=C/C[N@H+]1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257281596 568799012 /nfs/dbraw/zinc/79/90/12/568799012.db2.gz OQBAAGIAXXKXAM-DOHLAZSCSA-N 1 2 420.488 4.455 40 0 HIABLO CNc1cc([C@@H]2CCCN2C(=O)c2cccnc2Nc2cccc(OC)c2)cc[nH+]1 ZINC000257324360 568811671 /nfs/dbraw/zinc/81/16/71/568811671.db2.gz WOIRVCUCUXVIBX-FQEVSTJZSA-N 1 2 403.486 4.248 40 0 HIABLO CCNc1nc(Nc2ccc(OC)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328957204 568969619 /nfs/dbraw/zinc/96/96/19/568969619.db2.gz AJRHAKGAAQUUTB-UHFFFAOYSA-N 1 2 422.382 4.209 40 0 HIABLO CC[C@H](C)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329013969 568972621 /nfs/dbraw/zinc/97/26/21/568972621.db2.gz MSYUNWMRIFPPIL-AWEZNQCLSA-N 1 2 417.435 4.104 40 0 HIABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)c2ccccc12 ZINC000015674602 291266556 /nfs/dbraw/zinc/26/65/56/291266556.db2.gz FRSCFRZLOXVBSI-KNQAVFIVSA-N 1 2 415.493 4.130 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)c2ccccc12 ZINC000015674602 291266559 /nfs/dbraw/zinc/26/65/59/291266559.db2.gz FRSCFRZLOXVBSI-KNQAVFIVSA-N 1 2 415.493 4.130 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674152 291270711 /nfs/dbraw/zinc/27/07/11/291270711.db2.gz GSAWTMHHKOHTRC-SJORKVTESA-N 1 2 407.367 4.202 40 0 biogenic,in-vitro HIABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674152 291270714 /nfs/dbraw/zinc/27/07/14/291270714.db2.gz GSAWTMHHKOHTRC-SJORKVTESA-N 1 2 407.367 4.202 40 0 biogenic,in-vitro HIABLO Nc1nc(Cl)nc(Nc2ccc(-c3cc4ccc(-c5[nH]cc[nH+]5)cc4[nH]3)cc2)n1 ZINC000001585613 557274161 /nfs/dbraw/zinc/27/41/61/557274161.db2.gz WANPNZJMRMRZLU-UHFFFAOYSA-N 1 2 402.849 4.389 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CSCc1ccccc1Cl)C[N@@H+](C)CC2 ZINC000408576425 557479524 /nfs/dbraw/zinc/47/95/24/557479524.db2.gz URWIXKJLCMSARB-UHFFFAOYSA-N 1 2 424.975 4.048 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CSCc1ccccc1Cl)C[N@H+](C)CC2 ZINC000408576425 557479530 /nfs/dbraw/zinc/47/95/30/557479530.db2.gz URWIXKJLCMSARB-UHFFFAOYSA-N 1 2 424.975 4.048 40 0 HIABLO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(O)cc2)[NH+]2CCOCC2)c1C ZINC000020192410 558756234 /nfs/dbraw/zinc/75/62/34/558756234.db2.gz HNWBUBUODLODSA-FQEVSTJZSA-N 1 2 412.511 4.337 40 0 HIABLO COc1ccc(-c2nc(Nc3ccc(Br)cc3)cc(N)[nH+]2)cc1OC ZINC000049468168 558849367 /nfs/dbraw/zinc/84/93/67/558849367.db2.gz DWXJVJVNLPPTFC-UHFFFAOYSA-N 1 2 401.264 4.249 40 0 HIABLO COc1ccc(-c2nc(N)cc(Nc3ccc(Br)cc3)[nH+]2)cc1OC ZINC000049468168 558849371 /nfs/dbraw/zinc/84/93/71/558849371.db2.gz DWXJVJVNLPPTFC-UHFFFAOYSA-N 1 2 401.264 4.249 40 0 HIABLO COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Cn2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286715 558860546 /nfs/dbraw/zinc/86/05/46/558860546.db2.gz DKTZTNFLCYOKSA-IIBYNOLFSA-N 1 2 407.514 4.362 40 0 HIABLO OCCN1CC[NH+](CCCN2c3sccc3Sc3ccc(Cl)cc32)CC1 ZINC000019364887 558876850 /nfs/dbraw/zinc/87/68/50/558876850.db2.gz DIQFKXCCEQYEPS-UHFFFAOYSA-N 1 2 410.008 4.004 40 0 HIABLO COc1cccc(OC)c1C[N@H+](Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019566967 558926443 /nfs/dbraw/zinc/92/64/43/558926443.db2.gz JYEUFTGPUAWNGG-XZOQPEGZSA-N 1 2 422.500 4.423 40 0 HIABLO COc1cccc(OC)c1C[N@@H+](Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019566967 558926444 /nfs/dbraw/zinc/92/64/44/558926444.db2.gz JYEUFTGPUAWNGG-XZOQPEGZSA-N 1 2 422.500 4.423 40 0 HIABLO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000019568598 558927673 /nfs/dbraw/zinc/92/76/73/558927673.db2.gz NKHAKOYOOGDBSS-ZIAGYGMSSA-N 1 2 421.423 4.104 40 0 HIABLO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000019578365 558934203 /nfs/dbraw/zinc/93/42/03/558934203.db2.gz BWJUAFAFRQNQLK-MRXNPFEDSA-N 1 2 405.477 4.164 40 0 HIABLO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072348886 558945498 /nfs/dbraw/zinc/94/54/98/558945498.db2.gz NDNJCYVFPWLQIM-INIZCTEOSA-N 1 2 408.527 4.032 40 0 HIABLO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072348886 558945499 /nfs/dbraw/zinc/94/54/99/558945499.db2.gz NDNJCYVFPWLQIM-INIZCTEOSA-N 1 2 408.527 4.032 40 0 HIABLO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)nc1 ZINC000072353006 558949407 /nfs/dbraw/zinc/94/94/07/558949407.db2.gz PQHLOEAEKPAYER-NRFANRHFSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)nc1 ZINC000072353006 558949409 /nfs/dbraw/zinc/94/94/09/558949409.db2.gz PQHLOEAEKPAYER-NRFANRHFSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)nc2)n1 ZINC000072353020 558949598 /nfs/dbraw/zinc/94/95/98/558949598.db2.gz ASODPRUTUHIDOT-NRFANRHFSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)nc2)n1 ZINC000072353020 558949601 /nfs/dbraw/zinc/94/96/01/558949601.db2.gz ASODPRUTUHIDOT-NRFANRHFSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353817 558950910 /nfs/dbraw/zinc/95/09/10/558950910.db2.gz IXYIJZNRFZFOPE-FQEVSTJZSA-N 1 2 406.555 4.255 40 0 HIABLO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353817 558950911 /nfs/dbraw/zinc/95/09/11/558950911.db2.gz IXYIJZNRFZFOPE-FQEVSTJZSA-N 1 2 406.555 4.255 40 0 HIABLO O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019681242 558956905 /nfs/dbraw/zinc/95/69/05/558956905.db2.gz PDAWFAZTZGMFBD-UHFFFAOYSA-N 1 2 408.285 4.072 40 0 HIABLO COc1ccc(CNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)cc1OC ZINC000019717902 558980981 /nfs/dbraw/zinc/98/09/81/558980981.db2.gz SKFVNKUUJHISKN-AWEZNQCLSA-N 1 2 409.534 4.340 40 0 HIABLO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769467 559140230 /nfs/dbraw/zinc/14/02/30/559140230.db2.gz GYVDGLAULIOGGH-JOCHJYFZSA-N 1 2 416.472 4.094 40 0 HIABLO O=C(c1cn(CC[NH+]2CCOCC2)c2ccc(O)cc12)c1cccc2ccccc21 ZINC000013742574 560220259 /nfs/dbraw/zinc/22/02/59/560220259.db2.gz VTWRVIWPNCLGLT-UHFFFAOYSA-N 1 2 400.478 4.063 40 0 in-vitro HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc12 ZINC000000894185 560543669 /nfs/dbraw/zinc/54/36/69/560543669.db2.gz JKPKNZVRDWXCEQ-QFIPXVFZSA-N 1 2 420.561 4.212 40 0 HIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000909827 560546019 /nfs/dbraw/zinc/54/60/19/560546019.db2.gz LYCVOTUYZBOOPL-NRFANRHFSA-N 1 2 422.577 4.098 40 0 HIABLO COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000004230455 560604698 /nfs/dbraw/zinc/60/46/98/560604698.db2.gz RQQDIONYXJKPJY-LJQANCHMSA-N 1 2 403.958 4.109 40 0 HIABLO COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000004230455 560604699 /nfs/dbraw/zinc/60/46/99/560604699.db2.gz RQQDIONYXJKPJY-LJQANCHMSA-N 1 2 403.958 4.109 40 0 HIABLO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000004906855 560617747 /nfs/dbraw/zinc/61/77/47/560617747.db2.gz XRXAMYQDEXVQMP-FQEVSTJZSA-N 1 2 401.466 4.037 40 0 HIABLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)Nc3cc(C)cc(C)c3)CC2)c(C)c1 ZINC000004908743 560618029 /nfs/dbraw/zinc/61/80/29/560618029.db2.gz GMEHNQFCXUNGOP-UHFFFAOYSA-N 1 2 422.573 4.453 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000202794478 560737006 /nfs/dbraw/zinc/73/70/06/560737006.db2.gz SBTVMESSHMQYSJ-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000202794478 560737008 /nfs/dbraw/zinc/73/70/08/560737008.db2.gz SBTVMESSHMQYSJ-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012716915 560786330 /nfs/dbraw/zinc/78/63/30/560786330.db2.gz DVTFBWPRDWYDPJ-VGSWGCGISA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012716915 560786332 /nfs/dbraw/zinc/78/63/32/560786332.db2.gz DVTFBWPRDWYDPJ-VGSWGCGISA-N 1 2 420.561 4.150 40 0 HIABLO COc1cc2c(cc1C[N@H+](CCCn1ccnc1)Cc1ccccc1Cl)OCO2 ZINC000013991288 560831502 /nfs/dbraw/zinc/83/15/02/560831502.db2.gz FNJUOEJRXUNJJE-UHFFFAOYSA-N 1 2 413.905 4.366 40 0 HIABLO COc1cc2c(cc1C[N@@H+](CCCn1ccnc1)Cc1ccccc1Cl)OCO2 ZINC000013991288 560831503 /nfs/dbraw/zinc/83/15/03/560831503.db2.gz FNJUOEJRXUNJJE-UHFFFAOYSA-N 1 2 413.905 4.366 40 0 HIABLO CCC(=O)NC(=S)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000017094088 560868612 /nfs/dbraw/zinc/86/86/12/560868612.db2.gz LOMBOMGSQCCPKS-UHFFFAOYSA-N 1 2 424.574 4.107 40 0 HIABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](c2nnnn2C(C)(C)C)c2ccccc2)CC1 ZINC000020139215 560881013 /nfs/dbraw/zinc/88/10/13/560881013.db2.gz UCUPTEDEDXWNBE-OAQYLSRUSA-N 1 2 424.980 4.302 40 0 HIABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000020139921 560881140 /nfs/dbraw/zinc/88/11/40/560881140.db2.gz OQZQKHQEBJAORX-QHCPKHFHSA-N 1 2 418.589 4.347 40 0 HIABLO Cc1ccccc1NC(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000057688522 568494338 /nfs/dbraw/zinc/49/43/38/568494338.db2.gz AREJSQMEFQRNSN-UHFFFAOYSA-N 1 2 410.518 4.018 40 0 HIABLO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)cc1 ZINC000219866531 568499502 /nfs/dbraw/zinc/49/95/02/568499502.db2.gz JCNRUFNELGSTDG-UHFFFAOYSA-N 1 2 404.514 4.228 40 0 HIABLO Cc1ccc([NH+]2CCC(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000219866281 568499532 /nfs/dbraw/zinc/49/95/32/568499532.db2.gz HHRYLNFSQZFYRO-UHFFFAOYSA-N 1 2 410.905 4.231 40 0 HIABLO CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222885433 568529571 /nfs/dbraw/zinc/52/95/71/568529571.db2.gz KMENFNXZVZIPCC-FGZHOGPDSA-N 1 2 405.571 4.321 40 0 HIABLO Cc1ccc([N@H+](C)CCCNC(=O)c2ccc(C)cc2I)cc1 ZINC000225031468 568610150 /nfs/dbraw/zinc/61/01/50/568610150.db2.gz AXMGVZHKRCUOLT-UHFFFAOYSA-N 1 2 422.310 4.164 40 0 HIABLO Cc1ccc([N@@H+](C)CCCNC(=O)c2ccc(C)cc2I)cc1 ZINC000225031468 568610153 /nfs/dbraw/zinc/61/01/53/568610153.db2.gz AXMGVZHKRCUOLT-UHFFFAOYSA-N 1 2 422.310 4.164 40 0 HIABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OCC ZINC000095534575 568635863 /nfs/dbraw/zinc/63/58/63/568635863.db2.gz MVHQSSZRRMJNNZ-QGZVFWFLSA-N 1 2 406.408 4.336 40 0 HIABLO Cc1nnc(Nc2cccc([C@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257201474 568776651 /nfs/dbraw/zinc/77/66/51/568776651.db2.gz AHVJWJKHHNVEPE-HXUWFJFHSA-N 1 2 420.542 4.050 40 0 HIABLO Cc1nnc(Nc2cccc([C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257201474 568776652 /nfs/dbraw/zinc/77/66/52/568776652.db2.gz AHVJWJKHHNVEPE-HXUWFJFHSA-N 1 2 420.542 4.050 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)c(C)n1 ZINC000257231181 568785158 /nfs/dbraw/zinc/78/51/58/568785158.db2.gz GFQHBLUJJVTOCP-RUZDIDTESA-N 1 2 404.558 4.388 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)c(C)n1 ZINC000257231181 568785160 /nfs/dbraw/zinc/78/51/60/568785160.db2.gz GFQHBLUJJVTOCP-RUZDIDTESA-N 1 2 404.558 4.388 40 0 HIABLO Cc1ccc2n[nH]c(C(=O)N3CC[C@H](c4cc(Nc5nccs5)cc(C)[nH+]4)C3)c2c1 ZINC000257267481 568794923 /nfs/dbraw/zinc/79/49/23/568794923.db2.gz MHMHPCZSTONKAA-HNNXBMFYSA-N 1 2 418.526 4.405 40 0 HIABLO Cn1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257277581 568797838 /nfs/dbraw/zinc/79/78/38/568797838.db2.gz NYNMNVAIKPFFAS-QHCPKHFHSA-N 1 2 411.933 4.269 40 0 HIABLO Cn1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257277581 568797839 /nfs/dbraw/zinc/79/78/39/568797839.db2.gz NYNMNVAIKPFFAS-QHCPKHFHSA-N 1 2 411.933 4.269 40 0 HIABLO CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1 ZINC000257300928 568804705 /nfs/dbraw/zinc/80/47/05/568804705.db2.gz RWGPSESNQGOAGN-ZCYQVOJMSA-N 1 2 408.542 4.199 40 0 HIABLO CC(C)c1ccc(NC(=O)C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1 ZINC000257300928 568804707 /nfs/dbraw/zinc/80/47/07/568804707.db2.gz RWGPSESNQGOAGN-ZCYQVOJMSA-N 1 2 408.542 4.199 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)c(C)n1 ZINC000257312161 568807902 /nfs/dbraw/zinc/80/79/02/568807902.db2.gz UMSSXYWJXDLRDR-RUZDIDTESA-N 1 2 420.557 4.088 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)c(C)n1 ZINC000257312161 568807905 /nfs/dbraw/zinc/80/79/05/568807905.db2.gz UMSSXYWJXDLRDR-RUZDIDTESA-N 1 2 420.557 4.088 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000257339187 568815749 /nfs/dbraw/zinc/81/57/49/568815749.db2.gz ZAPABWAYFODRFX-HSZRJFAPSA-N 1 2 420.561 4.496 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000257339187 568815750 /nfs/dbraw/zinc/81/57/50/568815750.db2.gz ZAPABWAYFODRFX-HSZRJFAPSA-N 1 2 420.561 4.496 40 0 HIABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261361580 568819326 /nfs/dbraw/zinc/81/93/26/568819326.db2.gz ABFNTJOPWMNNGV-SFHVURJKSA-O 1 2 415.926 4.360 40 0 HIABLO CC(C)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969098 568970484 /nfs/dbraw/zinc/97/04/84/568970484.db2.gz DDFJMYZVPXWCJK-UHFFFAOYSA-N 1 2 420.410 4.458 40 0 HIABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328989697 568971603 /nfs/dbraw/zinc/97/16/03/568971603.db2.gz ILNXUJSGEHGRBU-UHFFFAOYSA-N 1 2 422.838 4.198 40 0 HIABLO CC[C@@H](C)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329046633 568974588 /nfs/dbraw/zinc/97/45/88/568974588.db2.gz UCMBLGKNLJWHNV-CQSZACIVSA-N 1 2 417.435 4.104 40 0 HIABLO OCCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329071890 568975882 /nfs/dbraw/zinc/97/58/82/568975882.db2.gz ZTHPXMPJSJCYCN-UHFFFAOYSA-N 1 2 422.838 4.198 40 0 HIABLO Cc1[nH+]c2c(C)cccn2c1CN1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693282 569346387 /nfs/dbraw/zinc/34/63/87/569346387.db2.gz XSTYPVGNULBWGZ-OAQYLSRUSA-N 1 2 417.488 4.121 40 0 HIABLO COc1cccc(-c2nccnc2[C@H]2C[N@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000019693311 569346439 /nfs/dbraw/zinc/34/64/39/569346439.db2.gz YCEIFVZXBQXCCT-JOCHJYFZSA-N 1 2 405.498 4.043 40 0 HIABLO COc1cccc(-c2nccnc2[C@H]2C[N@@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000019693311 569346440 /nfs/dbraw/zinc/34/64/40/569346440.db2.gz YCEIFVZXBQXCCT-JOCHJYFZSA-N 1 2 405.498 4.043 40 0 HIABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000035424857 291264386 /nfs/dbraw/zinc/26/43/86/291264386.db2.gz YBJSVSIGXJTCAW-SFHVURJKSA-N 1 2 413.909 4.180 40 0 biogenic,in-vitro HIABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000035424857 291264388 /nfs/dbraw/zinc/26/43/88/291264388.db2.gz YBJSVSIGXJTCAW-SFHVURJKSA-N 1 2 413.909 4.180 40 0 biogenic,in-vitro HIABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000035316945 557691823 /nfs/dbraw/zinc/69/18/23/557691823.db2.gz RPSBPPJWJBBSRO-UHFFFAOYSA-N 1 2 401.392 4.143 40 0 HIABLO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036066086 557833626 /nfs/dbraw/zinc/83/36/26/557833626.db2.gz AFKUFBSBDGUBHE-DEYYWGMASA-N 1 2 400.548 4.271 40 0 HIABLO COc1ccc(OC)c(C[N@@H+](Cc2coc3ccc(C)cc3c2=O)C[C@H]2CCCO2)c1 ZINC000012187485 558346164 /nfs/dbraw/zinc/34/61/64/558346164.db2.gz RBQGEEXROGWPTK-OAQYLSRUSA-N 1 2 423.509 4.300 40 0 HIABLO COc1ccc(OC)c(C[N@H+](Cc2coc3ccc(C)cc3c2=O)C[C@H]2CCCO2)c1 ZINC000012187485 558346167 /nfs/dbraw/zinc/34/61/67/558346167.db2.gz RBQGEEXROGWPTK-OAQYLSRUSA-N 1 2 423.509 4.300 40 0 HIABLO c1csc(-c2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2-c2nccs2)c1 ZINC000013267910 558528416 /nfs/dbraw/zinc/52/84/16/558528416.db2.gz HIIQBZBGFRQMPW-UHFFFAOYSA-N 1 2 406.540 4.050 40 0 HIABLO Cc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N(CCO)Cc4ccccc4)cc3)cc2c1 ZINC000013563110 558540563 /nfs/dbraw/zinc/54/05/63/558540563.db2.gz UFDCKIUQMDXQQN-UHFFFAOYSA-N 1 2 413.521 4.448 40 0 HIABLO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@H]2C)OCO4)c1OC ZINC000031861139 558753241 /nfs/dbraw/zinc/75/32/41/558753241.db2.gz IGAAMAVEJGCBND-AMOXOZGRSA-N 1 2 411.498 4.405 40 0 HIABLO O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038854994 558819174 /nfs/dbraw/zinc/81/91/74/558819174.db2.gz ZJTFQANNFGGUOY-UHFFFAOYSA-N 1 2 410.477 4.114 40 0 HIABLO COc1cccc(-c2cc(C(=O)N3CC[C@@H](c4[nH+]c(C)n5c(C)csc45)C3)no2)c1 ZINC000019240515 558859093 /nfs/dbraw/zinc/85/90/93/558859093.db2.gz NIGXTSWAEHVOSR-MRXNPFEDSA-N 1 2 422.510 4.306 40 0 HIABLO Cn1cc(C(=O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 ZINC000057823317 558891260 /nfs/dbraw/zinc/89/12/60/558891260.db2.gz XWSLTDKFPVYGCM-UHFFFAOYSA-N 1 2 416.443 4.363 40 0 HIABLO Cc1nc(C2=CC[N@H+](Cc3ccc(F)cc3Cl)CC2)nc(N2CCOCC2)c1C ZINC000019555252 558918177 /nfs/dbraw/zinc/91/81/77/558918177.db2.gz ZYHAZAHAVUZXOG-UHFFFAOYSA-N 1 2 416.928 4.012 40 0 HIABLO Cc1nc(C2=CC[N@@H+](Cc3ccc(F)cc3Cl)CC2)nc(N2CCOCC2)c1C ZINC000019555252 558918180 /nfs/dbraw/zinc/91/81/80/558918180.db2.gz ZYHAZAHAVUZXOG-UHFFFAOYSA-N 1 2 416.928 4.012 40 0 HIABLO CNc1ncccc1C[NH+]1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019565091 558925165 /nfs/dbraw/zinc/92/51/65/558925165.db2.gz DZFZWPFLZIDFKD-UHFFFAOYSA-N 1 2 405.424 4.366 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)s1 ZINC000019688223 558957645 /nfs/dbraw/zinc/95/76/45/558957645.db2.gz OEJYIUWIUVLCBN-LJQANCHMSA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)s1 ZINC000019688223 558957649 /nfs/dbraw/zinc/95/76/49/558957649.db2.gz OEJYIUWIUVLCBN-LJQANCHMSA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)[nH+]1 ZINC000072374193 558961730 /nfs/dbraw/zinc/96/17/30/558961730.db2.gz HJPZTSPTERHVGU-UHFFFAOYSA-N 1 2 408.527 4.097 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccccc1F ZINC000072375959 558965109 /nfs/dbraw/zinc/96/51/09/558965109.db2.gz PRIADBSPROMJGT-KRWDZBQOSA-N 1 2 405.477 4.177 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccccc1F ZINC000072375959 558965111 /nfs/dbraw/zinc/96/51/11/558965111.db2.gz PRIADBSPROMJGT-KRWDZBQOSA-N 1 2 405.477 4.177 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1ccc(F)cc1F)N(Cc1ccccc1)CC2 ZINC000096037501 559091206 /nfs/dbraw/zinc/09/12/06/559091206.db2.gz HDLPKOVVSQUPBA-QHCPKHFHSA-N 1 2 424.495 4.158 40 0 HIABLO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053386 559093360 /nfs/dbraw/zinc/09/33/60/559093360.db2.gz NIKOMCQXBRSYAJ-KRWDZBQOSA-N 1 2 411.571 4.103 40 0 HIABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376853 559186583 /nfs/dbraw/zinc/18/65/83/559186583.db2.gz QRZNDZWUZGTXMB-FQEVSTJZSA-N 1 2 423.467 4.170 40 0 HIABLO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376853 559186584 /nfs/dbraw/zinc/18/65/84/559186584.db2.gz QRZNDZWUZGTXMB-FQEVSTJZSA-N 1 2 423.467 4.170 40 0 HIABLO COCCn1nnnc1[C@H](c1ccc(Cl)cc1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000004230456 560604720 /nfs/dbraw/zinc/60/47/20/560604720.db2.gz RQQDIONYXJKPJY-IBGZPJMESA-N 1 2 403.958 4.109 40 0 HIABLO COCCn1nnnc1[C@H](c1ccc(Cl)cc1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000004230456 560604721 /nfs/dbraw/zinc/60/47/21/560604721.db2.gz RQQDIONYXJKPJY-IBGZPJMESA-N 1 2 403.958 4.109 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)C[N@@H+](C)CC2 ZINC000004223482 560735360 /nfs/dbraw/zinc/73/53/60/560735360.db2.gz KUGUTYACRPHCPL-UHFFFAOYSA-N 1 2 406.507 4.442 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)C[N@H+](C)CC2 ZINC000004223482 560735362 /nfs/dbraw/zinc/73/53/62/560735362.db2.gz KUGUTYACRPHCPL-UHFFFAOYSA-N 1 2 406.507 4.442 40 0 HIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000202794413 560737018 /nfs/dbraw/zinc/73/70/18/560737018.db2.gz FAMGWHCGKGYLMO-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000202794413 560737020 /nfs/dbraw/zinc/73/70/20/560737020.db2.gz FAMGWHCGKGYLMO-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO COc1ccc(-c2cncc([C@@H]3C[N@H+](Cc4ccc(C)cc4OC)CCO3)n2)cc1 ZINC000257215016 568780467 /nfs/dbraw/zinc/78/04/67/568780467.db2.gz COIIIJHJMAPQGQ-DEOSSOPVSA-N 1 2 405.498 4.043 40 0 HIABLO COc1ccc(-c2cncc([C@@H]3C[N@@H+](Cc4ccc(C)cc4OC)CCO3)n2)cc1 ZINC000257215016 568780470 /nfs/dbraw/zinc/78/04/70/568780470.db2.gz COIIIJHJMAPQGQ-DEOSSOPVSA-N 1 2 405.498 4.043 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4ccc(OC)cc4)cc(C)n3)C2)c(C)n1 ZINC000257242067 568788192 /nfs/dbraw/zinc/78/81/92/568788192.db2.gz IAXWKDUZMLSDIM-VWLOTQADSA-N 1 2 420.557 4.088 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4ccc(OC)cc4)cc(C)n3)C2)c(C)n1 ZINC000257242067 568788194 /nfs/dbraw/zinc/78/81/94/568788194.db2.gz IAXWKDUZMLSDIM-VWLOTQADSA-N 1 2 420.557 4.088 40 0 HIABLO Cc1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000257268112 568795160 /nfs/dbraw/zinc/79/51/60/568795160.db2.gz MKGZSVQDWROKGH-DEOSSOPVSA-N 1 2 402.542 4.015 40 0 HIABLO Cc1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000257268112 568795161 /nfs/dbraw/zinc/79/51/61/568795161.db2.gz MKGZSVQDWROKGH-DEOSSOPVSA-N 1 2 402.542 4.015 40 0 HIABLO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCCCn3cc[nH+]c3)ccc1OC2(C)C ZINC000257315851 568808941 /nfs/dbraw/zinc/80/89/41/568808941.db2.gz VCZWZKWFAYZKFB-BHIYHBOVSA-N 1 2 411.546 4.490 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000257318576 568810079 /nfs/dbraw/zinc/81/00/79/568810079.db2.gz VONHBSQFPRRQAZ-UHFFFAOYSA-N 1 2 405.477 4.177 40 0 HIABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3OC(C)C)c2)C1 ZINC000257334037 568814153 /nfs/dbraw/zinc/81/41/53/568814153.db2.gz YEGCWXFVSUWOEV-HXUWFJFHSA-N 1 2 419.529 4.207 40 0 HIABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000257341285 568816422 /nfs/dbraw/zinc/81/64/22/568816422.db2.gz ZJROLTRUKRGLGD-HSZRJFAPSA-N 1 2 410.949 4.250 40 0 HIABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000257341285 568816424 /nfs/dbraw/zinc/81/64/24/568816424.db2.gz ZJROLTRUKRGLGD-HSZRJFAPSA-N 1 2 410.949 4.250 40 0 HIABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccsc1 ZINC000261365615 568819760 /nfs/dbraw/zinc/81/97/60/568819760.db2.gz UEJYNEREHUUQET-IBGZPJMESA-O 1 2 413.548 4.004 40 0 HIABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccc(F)cc5)CCO4)nnn3c2)cc1 ZINC000306125508 568888428 /nfs/dbraw/zinc/88/84/28/568888428.db2.gz CSTUCJMVZWWVHD-QHCPKHFHSA-N 1 2 418.472 4.118 40 0 HIABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccc(F)cc5)CCO4)nnn3c2)cc1 ZINC000306125508 568888429 /nfs/dbraw/zinc/88/84/29/568888429.db2.gz CSTUCJMVZWWVHD-QHCPKHFHSA-N 1 2 418.472 4.118 40 0 HIABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306131882 568894146 /nfs/dbraw/zinc/89/41/46/568894146.db2.gz KRZINWFHSCGMAK-NRFANRHFSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306131882 568894147 /nfs/dbraw/zinc/89/41/47/568894147.db2.gz KRZINWFHSCGMAK-NRFANRHFSA-N 1 2 406.511 4.040 40 0 HIABLO CCCN(CCC)C(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140074 568901869 /nfs/dbraw/zinc/90/18/69/568901869.db2.gz UIVPBPAGSWGNQP-NRFANRHFSA-N 1 2 405.546 4.329 40 0 HIABLO CCCN(CCC)C(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140074 568901871 /nfs/dbraw/zinc/90/18/71/568901871.db2.gz UIVPBPAGSWGNQP-NRFANRHFSA-N 1 2 405.546 4.329 40 0 HIABLO CCc1ccccc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008433921 569341008 /nfs/dbraw/zinc/34/10/08/569341008.db2.gz UPABDKPCCFQAGN-UHFFFAOYSA-N 1 2 416.521 4.433 40 0 HIABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1C ZINC000261366470 569413872 /nfs/dbraw/zinc/41/38/72/569413872.db2.gz ZYWBNUFWNWVSOL-JOCHJYFZSA-O 1 2 421.546 4.251 40 0 HIABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1C ZINC000261366471 569413929 /nfs/dbraw/zinc/41/39/29/569413929.db2.gz ZYWBNUFWNWVSOL-QFIPXVFZSA-O 1 2 421.546 4.251 40 0 HIABLO CC(C)(C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063429 571304928 /nfs/dbraw/zinc/30/49/28/571304928.db2.gz XEKXJYNKYPWZDF-HNNXBMFYSA-N 1 2 410.440 4.844 40 0 HIABLO CNc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328966688 571306343 /nfs/dbraw/zinc/30/63/43/571306343.db2.gz COBMKYUKUWPBSO-UHFFFAOYSA-N 1 2 418.375 4.614 40 0 HIABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328965686 571307778 /nfs/dbraw/zinc/30/77/78/571307778.db2.gz CFFTZQDXSNKDKV-CQSZACIVSA-N 1 2 418.419 4.887 40 0 HIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)Nc3cccc(F)c3)n2)cc1 ZINC000015675808 291267958 /nfs/dbraw/zinc/26/79/58/291267958.db2.gz LBKZDYADBPIONZ-IBGZPJMESA-N 1 2 418.432 4.239 40 0 biogenic,in-vitro HIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)Nc3cccc(F)c3)n2)cc1 ZINC000015675808 291267960 /nfs/dbraw/zinc/26/79/60/291267960.db2.gz LBKZDYADBPIONZ-IBGZPJMESA-N 1 2 418.432 4.239 40 0 biogenic,in-vitro HIABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707173 291269655 /nfs/dbraw/zinc/26/96/55/291269655.db2.gz WSZVKGGPTIXLOC-SFHVURJKSA-N 1 2 420.860 4.445 40 0 biogenic,in-vitro HIABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707173 291269659 /nfs/dbraw/zinc/26/96/59/291269659.db2.gz WSZVKGGPTIXLOC-SFHVURJKSA-N 1 2 420.860 4.445 40 0 biogenic,in-vitro HIABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)c1 ZINC000020121737 524127994 /nfs/dbraw/zinc/12/79/94/524127994.db2.gz PGUJJGRZRMYAPP-XMMPIXPASA-N 1 2 416.573 4.317 40 0 HIABLO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966398 557617924 /nfs/dbraw/zinc/61/79/24/557617924.db2.gz ZYXBJMLUSWXSCK-UHFFFAOYSA-N 1 2 411.527 4.132 40 0 HIABLO Cc1ccc(CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2-c2ccccc2)o1 ZINC000035315225 557690867 /nfs/dbraw/zinc/69/08/67/557690867.db2.gz KLJBKONGNAIPHC-UHFFFAOYSA-N 1 2 404.510 4.230 40 0 HIABLO Cc1[nH]c2ccc(CNC(=O)C3CCN(c4[nH+]c5ccccc5n4C)CC3)cc2c1C ZINC000012116364 558328592 /nfs/dbraw/zinc/32/85/92/558328592.db2.gz RKROLMHFFMAQLC-UHFFFAOYSA-N 1 2 415.541 4.204 40 0 HIABLO COc1ccc(C[N@@H+](Cc2coc3ccc(C)cc3c2=O)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187167 558346017 /nfs/dbraw/zinc/34/60/17/558346017.db2.gz SYWBQESRVWVBLE-NRFANRHFSA-N 1 2 423.509 4.300 40 0 HIABLO COc1ccc(C[N@H+](Cc2coc3ccc(C)cc3c2=O)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187167 558346019 /nfs/dbraw/zinc/34/60/19/558346019.db2.gz SYWBQESRVWVBLE-NRFANRHFSA-N 1 2 423.509 4.300 40 0 HIABLO Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022245410 558471871 /nfs/dbraw/zinc/47/18/71/558471871.db2.gz MYWKAEQEZHFRSV-UHFFFAOYSA-N 1 2 406.555 4.177 40 0 HIABLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@@H]2C)OCO4)c1OC ZINC000031861133 558753203 /nfs/dbraw/zinc/75/32/03/558753203.db2.gz IGAAMAVEJGCBND-LIAVLPADSA-N 1 2 411.498 4.405 40 0 HIABLO FC(F)(F)c1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000018165381 558832542 /nfs/dbraw/zinc/83/25/42/558832542.db2.gz JZKXRAHHSVLYIG-UHFFFAOYSA-N 1 2 409.477 4.024 40 0 HIABLO COc1ccc(OC)c2[nH]c(C(=O)N3CC[C@@H](c4[nH+]c(C)n5c(C)csc45)C3)cc21 ZINC000019240519 558858989 /nfs/dbraw/zinc/85/89/89/558858989.db2.gz IMMOPBVRQSSQRQ-CQSZACIVSA-N 1 2 424.526 4.141 40 0 HIABLO c1csc(C(N2CCN(c3ccccc3)CC2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019319208 558867282 /nfs/dbraw/zinc/86/72/82/558867282.db2.gz DOSSQUHMWZHLIV-UHFFFAOYSA-N 1 2 418.610 4.391 40 0 HIABLO COc1ccc2[nH]cc(C(=O)C[NH+]3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c2c1 ZINC000057823320 558891271 /nfs/dbraw/zinc/89/12/71/558891271.db2.gz QGEYBHZXMZZMSV-UHFFFAOYSA-N 1 2 418.493 4.168 40 0 HIABLO CCn1c2ccccc2nc1C[NH+]1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000072347905 558945197 /nfs/dbraw/zinc/94/51/97/558945197.db2.gz BXADAHLJHMHHDY-UHFFFAOYSA-N 1 2 410.905 4.455 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)nc2)n1 ZINC000072353010 558949738 /nfs/dbraw/zinc/94/97/38/558949738.db2.gz NTLKWTCIWCPWOR-NRFANRHFSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)nc2)n1 ZINC000072353010 558949740 /nfs/dbraw/zinc/94/97/40/558949740.db2.gz NTLKWTCIWCPWOR-NRFANRHFSA-N 1 2 420.492 4.147 40 0 HIABLO COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c1 ZINC000072353314 558950166 /nfs/dbraw/zinc/95/01/66/558950166.db2.gz YQAGSTRWISQKOK-HXUWFJFHSA-N 1 2 416.525 4.486 40 0 HIABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)C1 ZINC000072396167 558975236 /nfs/dbraw/zinc/97/52/36/558975236.db2.gz OPJWGJMBMKOWQZ-LJQANCHMSA-N 1 2 419.525 4.228 40 0 HIABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4ccc(C)cc4[nH]c3=O)cc2)C1 ZINC000072396167 558975237 /nfs/dbraw/zinc/97/52/37/558975237.db2.gz OPJWGJMBMKOWQZ-LJQANCHMSA-N 1 2 419.525 4.228 40 0 HIABLO CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320797 560077315 /nfs/dbraw/zinc/07/73/15/560077315.db2.gz MVQVHNOCHJGEIL-FHWLQOOXSA-N 1 2 403.530 4.180 40 0 biogenic,in-vitro HIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000910510 560546220 /nfs/dbraw/zinc/54/62/20/560546220.db2.gz XWNJJGJLHIQVNR-QFIPXVFZSA-N 1 2 420.561 4.212 40 0 HIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000001224932 560572676 /nfs/dbraw/zinc/57/26/76/560572676.db2.gz LAAFHHBNLPPFHU-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000001224932 560572677 /nfs/dbraw/zinc/57/26/77/560572677.db2.gz LAAFHHBNLPPFHU-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222840037 568527959 /nfs/dbraw/zinc/52/79/59/568527959.db2.gz GFFYONZTTGSRSA-FCHUYYIVSA-N 1 2 405.571 4.319 40 0 HIABLO Cc1nnc(Nc2cccc([C@@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257201473 568776610 /nfs/dbraw/zinc/77/66/10/568776610.db2.gz AHVJWJKHHNVEPE-FQEVSTJZSA-N 1 2 420.542 4.050 40 0 HIABLO Cc1nnc(Nc2cccc([C@@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257201473 568776613 /nfs/dbraw/zinc/77/66/13/568776613.db2.gz AHVJWJKHHNVEPE-FQEVSTJZSA-N 1 2 420.542 4.050 40 0 HIABLO Cc1ccc2n[nH]c(C(=O)N3CC[C@@H](c4cc(Nc5nccs5)cc(C)[nH+]4)C3)c2c1 ZINC000257267482 568794966 /nfs/dbraw/zinc/79/49/66/568794966.db2.gz MHMHPCZSTONKAA-OAHLLOKOSA-N 1 2 418.526 4.405 40 0 HIABLO CO[C@@H]1C[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@@]12CCCO2 ZINC000257293065 568802418 /nfs/dbraw/zinc/80/24/18/568802418.db2.gz QNZGBIUXYAAOKX-GGAORHGYSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@@]12CCCO2 ZINC000257293065 568802419 /nfs/dbraw/zinc/80/24/19/568802419.db2.gz QNZGBIUXYAAOKX-GGAORHGYSA-N 1 2 410.539 4.086 40 0 HIABLO Cc1cccc(Nc2ccc([C@H]3CN(Cc4cnc(C(C)C)nc4)CCO3)nc2)[nH+]1 ZINC000257298845 568804038 /nfs/dbraw/zinc/80/40/38/568804038.db2.gz RNLXZRSRFQIRLF-OAQYLSRUSA-N 1 2 404.518 4.016 40 0 HIABLO CCn1ccnc1C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257301958 568804836 /nfs/dbraw/zinc/80/48/36/568804836.db2.gz SATLTXLDPHBSCT-WFXMLNOXSA-N 1 2 420.479 4.296 40 0 HIABLO CCn1ccnc1C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257301958 568804838 /nfs/dbraw/zinc/80/48/38/568804838.db2.gz SATLTXLDPHBSCT-WFXMLNOXSA-N 1 2 420.479 4.296 40 0 HIABLO CCn1cc[nH+]c1CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257301958 568804839 /nfs/dbraw/zinc/80/48/39/568804839.db2.gz SATLTXLDPHBSCT-WFXMLNOXSA-N 1 2 420.479 4.296 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)c(C)n1 ZINC000257340972 568816234 /nfs/dbraw/zinc/81/62/34/568816234.db2.gz ZIHRYZDSHCGWEI-RUZDIDTESA-N 1 2 404.558 4.388 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)c(C)n1 ZINC000257340972 568816237 /nfs/dbraw/zinc/81/62/37/568816237.db2.gz ZIHRYZDSHCGWEI-RUZDIDTESA-N 1 2 404.558 4.388 40 0 HIABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(C(C)C)cc1 ZINC000261362021 568819322 /nfs/dbraw/zinc/81/93/22/568819322.db2.gz BUVUSJQPKRNJKF-JOCHJYFZSA-O 1 2 421.546 4.286 40 0 HIABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn21 ZINC000306130404 568892801 /nfs/dbraw/zinc/89/28/01/568892801.db2.gz JFFGQLKBOCZMHD-KRWDZBQOSA-N 1 2 402.420 4.050 40 0 HIABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn21 ZINC000306130404 568892802 /nfs/dbraw/zinc/89/28/02/568892802.db2.gz JFFGQLKBOCZMHD-KRWDZBQOSA-N 1 2 402.420 4.050 40 0 HIABLO CCNc1nc(NCc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965649 568970106 /nfs/dbraw/zinc/97/01/06/568970106.db2.gz CEUIXYVBMYIPBL-UHFFFAOYSA-N 1 2 402.420 4.238 40 0 HIABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329031271 568973791 /nfs/dbraw/zinc/97/37/91/568973791.db2.gz QIFTZJMWWGJMOM-LBPRGKRZSA-N 1 2 422.838 4.196 40 0 HIABLO CC(C)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329038105 568974085 /nfs/dbraw/zinc/97/40/85/568974085.db2.gz RRENRHWXEUJFOM-UHFFFAOYSA-N 1 2 408.449 4.380 40 0 HIABLO CCC(C)(C)n1nnnc1[C@H](c1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925490 569051842 /nfs/dbraw/zinc/05/18/42/569051842.db2.gz WFJQERALKFVBNW-QFIPXVFZSA-N 1 2 404.562 4.257 40 0 HIABLO CCc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000008433925 569341006 /nfs/dbraw/zinc/34/10/06/569341006.db2.gz VKVHUOITKPGCBC-UHFFFAOYSA-N 1 2 416.521 4.433 40 0 HIABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764889 569348961 /nfs/dbraw/zinc/34/89/61/569348961.db2.gz ZDZUZQUEEDOMCB-HXUWFJFHSA-N 1 2 424.936 4.151 40 0 HIABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019764889 569348962 /nfs/dbraw/zinc/34/89/62/569348962.db2.gz ZDZUZQUEEDOMCB-HXUWFJFHSA-N 1 2 424.936 4.151 40 0 HIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)Nc3ccccc3)n2)cc1 ZINC000015675814 291267904 /nfs/dbraw/zinc/26/79/04/291267904.db2.gz USDSJLFRORJQGW-IBGZPJMESA-N 1 2 400.442 4.100 40 0 biogenic,in-vitro HIABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)Nc3ccccc3)n2)cc1 ZINC000015675814 291267906 /nfs/dbraw/zinc/26/79/06/291267906.db2.gz USDSJLFRORJQGW-IBGZPJMESA-N 1 2 400.442 4.100 40 0 biogenic,in-vitro HIABLO Cc1cccnc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112259 291268496 /nfs/dbraw/zinc/26/84/96/291268496.db2.gz ARKCTNYFGHCAEF-KDOFPFPSSA-N 1 2 408.399 4.024 40 0 biogenic,in-vitro HIABLO Cc1cccnc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000096112259 291268497 /nfs/dbraw/zinc/26/84/97/291268497.db2.gz ARKCTNYFGHCAEF-KDOFPFPSSA-N 1 2 408.399 4.024 40 0 biogenic,in-vitro HIABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019116847 558842123 /nfs/dbraw/zinc/84/21/23/558842123.db2.gz AAZSVDJCHHPSAG-OAHLLOKOSA-N 1 2 406.456 4.414 40 0 HIABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019116847 558842124 /nfs/dbraw/zinc/84/21/24/558842124.db2.gz AAZSVDJCHHPSAG-OAHLLOKOSA-N 1 2 406.456 4.414 40 0 HIABLO CC(C)[C@@H](NC(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)OCCCO2 ZINC000019445843 558886001 /nfs/dbraw/zinc/88/60/01/558886001.db2.gz RFJLRRGNXRYSKC-HSZRJFAPSA-N 1 2 405.498 4.220 40 0 HIABLO CCOc1ccc([C@@H]2[NH2+][C@H](c3cccnc3OC)Cc3cc(OC)ccc32)cc1OC ZINC000019519860 558900895 /nfs/dbraw/zinc/90/08/95/558900895.db2.gz PPEUHOKPUXFPMI-URXFXBBRSA-N 1 2 420.509 4.483 40 0 HIABLO Cc1sc2c(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)[nH+]c(C)n2c1C ZINC000019571511 558930104 /nfs/dbraw/zinc/93/01/04/558930104.db2.gz VJBPCJVYQVFSCT-UHFFFAOYSA-N 1 2 421.563 4.337 40 0 HIABLO Cn1c2ccccc2[nH+]c1Cn1cnc2c(-c3ccc(Cl)cc3)nsc2c1=O ZINC000072347172 558943918 /nfs/dbraw/zinc/94/39/18/558943918.db2.gz AOFVCQZGMALZOW-UHFFFAOYSA-N 1 2 407.886 4.108 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348910 558945677 /nfs/dbraw/zinc/94/56/77/558945677.db2.gz RTDUHXNXLVWDAH-KRWDZBQOSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348910 558945678 /nfs/dbraw/zinc/94/56/78/558945678.db2.gz RTDUHXNXLVWDAH-KRWDZBQOSA-N 1 2 410.518 4.086 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370223 558956582 /nfs/dbraw/zinc/95/65/82/558956582.db2.gz RQLALYGABBVWAN-FQEVSTJZSA-N 1 2 417.534 4.383 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370223 558956584 /nfs/dbraw/zinc/95/65/84/558956584.db2.gz RQLALYGABBVWAN-FQEVSTJZSA-N 1 2 417.534 4.383 40 0 HIABLO Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)c3cn4cc(Cl)ccc4n3)nc2)c[nH+]1 ZINC000019688940 558958404 /nfs/dbraw/zinc/95/84/04/558958404.db2.gz XIDDZFCUGOYIFU-IBGZPJMESA-N 1 2 418.888 4.004 40 0 HIABLO COCC(=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3F)n3c(C)c(C)sc23)C1 ZINC000072390986 558971032 /nfs/dbraw/zinc/97/10/32/558971032.db2.gz AOEHLLFHGKKQRD-HNNXBMFYSA-N 1 2 416.522 4.248 40 0 HIABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCC1(c2cccc(F)c2)CCOCC1 ZINC000019718475 558981731 /nfs/dbraw/zinc/98/17/31/558981731.db2.gz AKQYYLWUWOZTBH-QGZVFWFLSA-N 1 2 409.505 4.163 40 0 HIABLO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)Nc1cccc(Cl)c1Cl ZINC000001380809 560582967 /nfs/dbraw/zinc/58/29/67/560582967.db2.gz PDCIOURKIXORMJ-UHFFFAOYSA-N 1 2 422.291 4.153 40 0 HIABLO CCCC[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057671203 568495152 /nfs/dbraw/zinc/49/51/52/568495152.db2.gz YYDVPFILMMKFQC-FQEVSTJZSA-N 1 2 414.941 4.021 40 0 HIABLO CCC1(CC)C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2O1 ZINC000222793293 568526773 /nfs/dbraw/zinc/52/67/73/568526773.db2.gz ILSQDMAZCPJIEC-JOCHJYFZSA-N 1 2 408.542 4.331 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)c(C)n1 ZINC000257270342 568795821 /nfs/dbraw/zinc/79/58/21/568795821.db2.gz MTUYPQBNMCSXDP-HSZRJFAPSA-N 1 2 410.949 4.424 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)c(C)n1 ZINC000257270342 568795822 /nfs/dbraw/zinc/79/58/22/568795822.db2.gz MTUYPQBNMCSXDP-HSZRJFAPSA-N 1 2 410.949 4.424 40 0 HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257285671 568800248 /nfs/dbraw/zinc/80/02/48/568800248.db2.gz PIFBUZONECSJBR-FQEVSTJZSA-N 1 2 414.509 4.330 40 0 HIABLO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257315083 568808733 /nfs/dbraw/zinc/80/87/33/568808733.db2.gz UZVLVZCSFHTQSZ-SANMLTNESA-N 1 2 415.537 4.206 40 0 HIABLO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257315083 568808734 /nfs/dbraw/zinc/80/87/34/568808734.db2.gz UZVLVZCSFHTQSZ-SANMLTNESA-N 1 2 415.537 4.206 40 0 HIABLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccccn1 ZINC000257333695 568814216 /nfs/dbraw/zinc/81/42/16/568814216.db2.gz YCQOVUWOCBTVBG-OAQYLSRUSA-N 1 2 424.932 4.109 40 0 HIABLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccccn1 ZINC000257333695 568814219 /nfs/dbraw/zinc/81/42/19/568814219.db2.gz YCQOVUWOCBTVBG-OAQYLSRUSA-N 1 2 424.932 4.109 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257338098 568815368 /nfs/dbraw/zinc/81/53/68/568815368.db2.gz YVUZQYZXEBMYHH-JOCHJYFZSA-N 1 2 418.476 4.118 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257338098 568815369 /nfs/dbraw/zinc/81/53/69/568815369.db2.gz YVUZQYZXEBMYHH-JOCHJYFZSA-N 1 2 418.476 4.118 40 0 HIABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306125399 568888069 /nfs/dbraw/zinc/88/80/69/568888069.db2.gz COZPNUREHGTEIT-FQEVSTJZSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306125399 568888070 /nfs/dbraw/zinc/88/80/70/568888070.db2.gz COZPNUREHGTEIT-FQEVSTJZSA-N 1 2 406.511 4.040 40 0 HIABLO C[C@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)CC[C@H]1O ZINC000253601829 569318363 /nfs/dbraw/zinc/31/83/63/569318363.db2.gz FPIOQGZFJSUVQJ-MEDUHNTESA-N 1 2 404.301 4.048 40 0 HIABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000328964262 571307759 /nfs/dbraw/zinc/30/77/59/571307759.db2.gz BUINOTNXFQZXAY-UHFFFAOYSA-N 1 2 418.419 4.889 40 0 HIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c(Br)c1 ZINC000329056792 571308385 /nfs/dbraw/zinc/30/83/85/571308385.db2.gz VUYDQNCTUUVLLU-KRWDZBQOSA-N 1 2 405.340 4.597 40 0 HIABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)ccn1 ZINC000035424762 291264380 /nfs/dbraw/zinc/26/43/80/291264380.db2.gz DYWWUAZKAAZECV-SFHVURJKSA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)ccn1 ZINC000035424762 291264382 /nfs/dbraw/zinc/26/43/82/291264382.db2.gz DYWWUAZKAAZECV-SFHVURJKSA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO O=C(c1ccco1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675928 291270043 /nfs/dbraw/zinc/27/00/43/291270043.db2.gz BNINVXFVYWPOGR-IBGZPJMESA-N 1 2 411.421 4.146 40 0 biogenic,in-vitro HIABLO O=C(c1ccco1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675928 291270047 /nfs/dbraw/zinc/27/00/47/291270047.db2.gz BNINVXFVYWPOGR-IBGZPJMESA-N 1 2 411.421 4.146 40 0 biogenic,in-vitro HIABLO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225749689 520317842 /nfs/dbraw/zinc/31/78/42/520317842.db2.gz RRHQDSBIXSJTEE-QHCPKHFHSA-N 1 2 406.567 4.102 40 0 HIABLO CNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)s1 ZINC000072353113 522678745 /nfs/dbraw/zinc/67/87/45/522678745.db2.gz AKXNHYPPAKODLC-QGZVFWFLSA-N 1 2 408.531 4.313 40 0 HIABLO Cc1ccc([C@H](c2nnnn2C(C)C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000020140425 525980376 /nfs/dbraw/zinc/98/03/76/525980376.db2.gz DKVBQTHKPGRHCM-HSZRJFAPSA-N 1 2 404.562 4.091 40 0 HIABLO Cc1[nH+]c2ccccc2n1CCCC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000019719282 558257886 /nfs/dbraw/zinc/25/78/86/558257886.db2.gz MCOZWMZQZKJZOL-UHFFFAOYSA-N 1 2 413.905 4.256 40 0 HIABLO O=C(C[N@@H+]1CCc2nc(-c3cccc(F)c3)sc2C1)Nc1ccc2ncccc2c1 ZINC000019719848 558258142 /nfs/dbraw/zinc/25/81/42/558258142.db2.gz RDMIQISJCWFMDU-UHFFFAOYSA-N 1 2 418.497 4.494 40 0 HIABLO O=C(C[N@H+]1CCc2nc(-c3cccc(F)c3)sc2C1)Nc1ccc2ncccc2c1 ZINC000019719848 558258144 /nfs/dbraw/zinc/25/81/44/558258144.db2.gz RDMIQISJCWFMDU-UHFFFAOYSA-N 1 2 418.497 4.494 40 0 HIABLO CCOc1cc(Cn2c[nH+]cc2-c2cc3c(cc2OC)OCCCO3)ccc1OC ZINC000019719943 558258665 /nfs/dbraw/zinc/25/86/65/558258665.db2.gz RCWNDQCNYMCOBL-UHFFFAOYSA-N 1 2 410.470 4.176 40 0 HIABLO Cc1ccc([C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)cc1 ZINC000018086784 558830824 /nfs/dbraw/zinc/83/08/24/558830824.db2.gz BCKJJEJYSVSOFH-RUZDIDTESA-N 1 2 400.522 4.347 40 0 HIABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)NCC1(c2ccc(C)cc2)CCOCC1 ZINC000019208634 558847732 /nfs/dbraw/zinc/84/77/32/558847732.db2.gz SGCSIILQCHQYML-LJQANCHMSA-N 1 2 405.542 4.154 40 0 HIABLO COc1ccc(OC)c2[nH]c(C(=O)N3CC[C@H](c4[nH+]c(C)n5c(C)csc45)C3)cc21 ZINC000019240520 558859145 /nfs/dbraw/zinc/85/91/45/558859145.db2.gz IMMOPBVRQSSQRQ-AWEZNQCLSA-N 1 2 424.526 4.141 40 0 HIABLO COc1ccc2c(cc(C(=O)N3CC[C@@H](c4[nH+]c(C)n5c(C)csc45)C3)n2C)c1 ZINC000019240521 558859245 /nfs/dbraw/zinc/85/92/45/558859245.db2.gz DEHAINWHAGJEEG-OAHLLOKOSA-N 1 2 408.527 4.143 40 0 HIABLO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)c2sccn12 ZINC000019523095 558904251 /nfs/dbraw/zinc/90/42/51/558904251.db2.gz PKBRYJXJJRKAEL-MRXNPFEDSA-N 1 2 420.542 4.445 40 0 HIABLO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)c2sccn12 ZINC000019523095 558904252 /nfs/dbraw/zinc/90/42/52/558904252.db2.gz PKBRYJXJJRKAEL-MRXNPFEDSA-N 1 2 420.542 4.445 40 0 HIABLO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000019566010 558925932 /nfs/dbraw/zinc/92/59/32/558925932.db2.gz VTGFTJPFOSVDII-UEXGIBASSA-N 1 2 413.514 4.153 40 0 HIABLO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000019566010 558925933 /nfs/dbraw/zinc/92/59/33/558925933.db2.gz VTGFTJPFOSVDII-UEXGIBASSA-N 1 2 413.514 4.153 40 0 HIABLO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353818 558950852 /nfs/dbraw/zinc/95/08/52/558950852.db2.gz SLWFXDXWTIELLV-LJQANCHMSA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353818 558950854 /nfs/dbraw/zinc/95/08/54/558950854.db2.gz SLWFXDXWTIELLV-LJQANCHMSA-N 1 2 424.545 4.395 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370217 558956386 /nfs/dbraw/zinc/95/63/86/558956386.db2.gz DUUCRYUUORZOQR-SFHVURJKSA-N 1 2 403.507 4.122 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370217 558956387 /nfs/dbraw/zinc/95/63/87/558956387.db2.gz DUUCRYUUORZOQR-SFHVURJKSA-N 1 2 403.507 4.122 40 0 HIABLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c(C)n1 ZINC000072372860 558960499 /nfs/dbraw/zinc/96/04/99/558960499.db2.gz IQAFBJAXTTXXCN-JOCHJYFZSA-N 1 2 408.594 4.200 40 0 HIABLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c(C)n1 ZINC000072372860 558960502 /nfs/dbraw/zinc/96/05/02/558960502.db2.gz IQAFBJAXTTXXCN-JOCHJYFZSA-N 1 2 408.594 4.200 40 0 HIABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000072383127 558969121 /nfs/dbraw/zinc/96/91/21/558969121.db2.gz ROPISIGAUQJELX-LJQANCHMSA-N 1 2 423.513 4.205 40 0 HIABLO Cn1cc(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000072383127 558969122 /nfs/dbraw/zinc/96/91/22/558969122.db2.gz ROPISIGAUQJELX-LJQANCHMSA-N 1 2 423.513 4.205 40 0 HIABLO Cc1onc(C(=O)Nc2ccc(Cc3nc4ccc(C)cc4[nH]3)cc2)c1C[NH+](C)C ZINC000019714776 558974924 /nfs/dbraw/zinc/97/49/24/558974924.db2.gz VVRHLWMUEYPQBG-UHFFFAOYSA-N 1 2 403.486 4.072 40 0 HIABLO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCc4c[nH+]c[nH]4)CCOCC3)c2)c1 ZINC000257253989 558994671 /nfs/dbraw/zinc/99/46/71/558994671.db2.gz KBDHNWZFHITXQS-UHFFFAOYSA-N 1 2 417.553 4.392 40 0 HIABLO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCc4c[nH]c[nH+]4)CCOCC3)c2)c1 ZINC000257253989 558994673 /nfs/dbraw/zinc/99/46/73/558994673.db2.gz KBDHNWZFHITXQS-UHFFFAOYSA-N 1 2 417.553 4.392 40 0 HIABLO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000004895386 560611078 /nfs/dbraw/zinc/61/10/78/560611078.db2.gz LDJYUZSTRRCYHY-UHFFFAOYSA-N 1 2 418.328 4.322 40 0 HIABLO CCOC(=O)c1c(NC(=O)[C@H](C)CC)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000014162688 560839336 /nfs/dbraw/zinc/83/93/36/560839336.db2.gz PNWHRGYOLRVLJK-OAHLLOKOSA-N 1 2 400.544 4.468 40 0 HIABLO CCOC(=O)c1c(NC(=O)[C@H](C)CC)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000014162688 560839339 /nfs/dbraw/zinc/83/93/39/560839339.db2.gz PNWHRGYOLRVLJK-OAHLLOKOSA-N 1 2 400.544 4.468 40 0 HIABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000014325048 560841355 /nfs/dbraw/zinc/84/13/55/560841355.db2.gz PDXSUOVGQLHVTC-UHFFFAOYSA-N 1 2 402.494 4.382 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670593 568494698 /nfs/dbraw/zinc/49/46/98/568494698.db2.gz IOSSKGYCOZLWJL-QHCPKHFHSA-N 1 2 404.562 4.002 40 0 HIABLO Cc1nc2cc(C(=O)N3CC[N@@H+](Cc4ccccc4F)C[C@@H]3C(C)C)ccc2n1C ZINC000057730679 568496458 /nfs/dbraw/zinc/49/64/58/568496458.db2.gz XYDIZCDMADBYIJ-HSZRJFAPSA-N 1 2 408.521 4.003 40 0 HIABLO Cc1nc2cc(C(=O)N3CC[N@H+](Cc4ccccc4F)C[C@@H]3C(C)C)ccc2n1C ZINC000057730679 568496460 /nfs/dbraw/zinc/49/64/60/568496460.db2.gz XYDIZCDMADBYIJ-HSZRJFAPSA-N 1 2 408.521 4.003 40 0 HIABLO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224200409 568573526 /nfs/dbraw/zinc/57/35/26/568573526.db2.gz XTWZEBVPSMMXEE-UHFFFAOYSA-N 1 2 407.524 4.328 40 0 HIABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225339697 568630515 /nfs/dbraw/zinc/63/05/15/568630515.db2.gz XIXWVQVKFHJYJW-FQEVSTJZSA-N 1 2 410.558 4.034 40 0 HIABLO CCOc1cc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)ccc1OC ZINC000095534466 568635904 /nfs/dbraw/zinc/63/59/04/568635904.db2.gz HAVZNPZVULRABL-NRFANRHFSA-N 1 2 410.518 4.137 40 0 HIABLO CCOC(=O)c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000225454761 568639408 /nfs/dbraw/zinc/63/94/08/568639408.db2.gz NIAHCEPHVILCEW-UHFFFAOYSA-N 1 2 414.918 4.189 40 0 HIABLO COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1Cn1cc[nH+]c1 ZINC000257220126 568782107 /nfs/dbraw/zinc/78/21/07/568782107.db2.gz DJQCNAOMQWLIHB-HNGCRPSJSA-N 1 2 411.546 4.101 40 0 HIABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2ccccc2F)CCCC1 ZINC000257317586 568809668 /nfs/dbraw/zinc/80/96/68/568809668.db2.gz VKJXKCNHRZMNOJ-HXUWFJFHSA-N 1 2 421.516 4.003 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000257331490 568813630 /nfs/dbraw/zinc/81/36/30/568813630.db2.gz XTBMJYFJQWHDHR-HXUWFJFHSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000257331490 568813632 /nfs/dbraw/zinc/81/36/32/568813632.db2.gz XTBMJYFJQWHDHR-HXUWFJFHSA-N 1 2 418.950 4.023 40 0 HIABLO COc1ccc(-c2cn3c4c(n(C(C)C)c3[nH+]2)CCN(Cc2ccccn2)C4)cc1 ZINC000306133859 568895884 /nfs/dbraw/zinc/89/58/84/568895884.db2.gz MXYOQHMXHOGYNA-UHFFFAOYSA-N 1 2 401.514 4.346 40 0 HIABLO Fc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CC3)n2)cc1 ZINC000328959291 568969657 /nfs/dbraw/zinc/96/96/57/568969657.db2.gz ASPSNHANJLZCRK-UHFFFAOYSA-N 1 2 418.394 4.212 40 0 HIABLO CC(C)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328964546 568970001 /nfs/dbraw/zinc/97/00/01/568970001.db2.gz BVBURLUFYVWHMU-UHFFFAOYSA-N 1 2 420.410 4.458 40 0 HIABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccs3)nc(NC3CC3)[nH+]2)c1 ZINC000329013949 568972623 /nfs/dbraw/zinc/97/26/23/568972623.db2.gz MSGOATKPTKCSNP-UHFFFAOYSA-N 1 2 406.433 4.134 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)c(C)n1 ZINC000019692371 569346059 /nfs/dbraw/zinc/34/60/59/569346059.db2.gz YFTGTIUPQPUZTC-HSZRJFAPSA-N 1 2 410.949 4.424 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)c(C)n1 ZINC000019692371 569346060 /nfs/dbraw/zinc/34/60/60/569346060.db2.gz YFTGTIUPQPUZTC-HSZRJFAPSA-N 1 2 410.949 4.424 40 0 HIABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035425386 291264372 /nfs/dbraw/zinc/26/43/72/291264372.db2.gz XFQVXKZVMVUCOO-SFHVURJKSA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)cn1 ZINC000035425386 291264373 /nfs/dbraw/zinc/26/43/73/291264373.db2.gz XFQVXKZVMVUCOO-SFHVURJKSA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO COc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111782 291266785 /nfs/dbraw/zinc/26/67/85/291266785.db2.gz KPURBMKUFMXGSH-GMAHTHKFSA-N 1 2 414.505 4.264 40 0 biogenic,in-vitro HIABLO COc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111782 291266786 /nfs/dbraw/zinc/26/67/86/291266786.db2.gz KPURBMKUFMXGSH-GMAHTHKFSA-N 1 2 414.505 4.264 40 0 biogenic,in-vitro HIABLO O=C(Nc1ccc(F)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676059 291269628 /nfs/dbraw/zinc/26/96/28/291269628.db2.gz ZGVQWRYFNCAMFR-SFHVURJKSA-N 1 2 422.395 4.069 40 0 biogenic,in-vitro HIABLO O=C(Nc1ccc(F)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676059 291269634 /nfs/dbraw/zinc/26/96/34/291269634.db2.gz ZGVQWRYFNCAMFR-SFHVURJKSA-N 1 2 422.395 4.069 40 0 biogenic,in-vitro HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000019719891 558258420 /nfs/dbraw/zinc/25/84/20/558258420.db2.gz PQHKUUKPXBNATH-UHFFFAOYSA-N 1 2 406.486 4.192 40 0 HIABLO O=C(CSCc1ccc(Br)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020043093 558326473 /nfs/dbraw/zinc/32/64/73/558326473.db2.gz ZHNKHYLVXCLIRG-UHFFFAOYSA-N 1 2 416.344 4.184 40 0 HIABLO CCOc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OCC ZINC000020104987 558332999 /nfs/dbraw/zinc/33/29/99/558332999.db2.gz XCGQUZIYLKRCCM-DHZHZOJOSA-N 1 2 422.569 4.274 40 0 HIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020105735 558333237 /nfs/dbraw/zinc/33/32/37/558333237.db2.gz JJXXEODQALMBHG-UHFFFAOYSA-N 1 2 408.505 4.365 40 0 HIABLO O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030941802 558745709 /nfs/dbraw/zinc/74/57/09/558745709.db2.gz MSGHFEPDDDKWBI-UHFFFAOYSA-N 1 2 402.498 4.200 40 0 HIABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000016768112 558806266 /nfs/dbraw/zinc/80/62/66/558806266.db2.gz HQKDKNISVRGNBI-UHFFFAOYSA-N 1 2 412.580 4.152 40 0 HIABLO Fc1ccc(-c2cnc3c(c2)[C@H]([NH2+]C2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000019341259 558871730 /nfs/dbraw/zinc/87/17/30/558871730.db2.gz GSHVJEYIEGCSBR-HXUWFJFHSA-N 1 2 416.485 4.305 40 0 HIABLO Clc1cccc2ccc(CN(CCC[NH+]3CCOCC3)Cc3cccnc3)nc12 ZINC000019347259 558873803 /nfs/dbraw/zinc/87/38/03/558873803.db2.gz IKVZKVNUSIEHDV-UHFFFAOYSA-N 1 2 410.949 4.008 40 0 HIABLO Cc1cc2[nH+]c(CCC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)[nH]c2c(C)c1 ZINC000019568381 558927262 /nfs/dbraw/zinc/92/72/62/558927262.db2.gz WYJVKMIQYNTXDG-QGZVFWFLSA-N 1 2 401.514 4.395 40 0 HIABLO COc1ccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)cc1 ZINC000072348890 558945711 /nfs/dbraw/zinc/94/57/11/558945711.db2.gz ISQJMPJAKOVDMA-KRWDZBQOSA-N 1 2 408.527 4.032 40 0 HIABLO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)cc1 ZINC000072348890 558945713 /nfs/dbraw/zinc/94/57/13/558945713.db2.gz ISQJMPJAKOVDMA-KRWDZBQOSA-N 1 2 408.527 4.032 40 0 HIABLO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cc1 ZINC000072353035 558949609 /nfs/dbraw/zinc/94/96/09/558949609.db2.gz IEYAJUGFGNLSKX-OAQYLSRUSA-N 1 2 424.526 4.063 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1ccc(F)cc1 ZINC000072353009 558949658 /nfs/dbraw/zinc/94/96/58/558949658.db2.gz UTBKJDHDQZBJJE-FQEVSTJZSA-N 1 2 409.440 4.274 40 0 HIABLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1ccc(F)cc1 ZINC000072353009 558949661 /nfs/dbraw/zinc/94/96/61/558949661.db2.gz UTBKJDHDQZBJJE-FQEVSTJZSA-N 1 2 409.440 4.274 40 0 HIABLO Cc1cccc(Nc2ccc([C@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)nc2)[nH+]1 ZINC000072353403 558950503 /nfs/dbraw/zinc/95/05/03/558950503.db2.gz HHASYRGHLNCASE-SFHVURJKSA-N 1 2 420.488 4.453 40 0 HIABLO Cc1cc2[nH]c(CCNC(=O)c3cnc(-c4ccc(Cl)cc4)nc3)[nH+]c2cc1C ZINC000019662128 558953037 /nfs/dbraw/zinc/95/30/37/558953037.db2.gz DOFXJQPAPINITA-UHFFFAOYSA-N 1 2 405.889 4.263 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000072358604 558954333 /nfs/dbraw/zinc/95/43/33/558954333.db2.gz SCYDCFRWNYOFDK-HNNXBMFYSA-N 1 2 413.934 4.072 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000072358604 558954335 /nfs/dbraw/zinc/95/43/35/558954335.db2.gz SCYDCFRWNYOFDK-HNNXBMFYSA-N 1 2 413.934 4.072 40 0 HIABLO COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4C(C)C)n3)C2)cc1 ZINC000072378846 558967736 /nfs/dbraw/zinc/96/77/36/558967736.db2.gz UWZPHSJQNPWAJE-FQEVSTJZSA-N 1 2 418.541 4.348 40 0 HIABLO COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4C(C)C)n3)C2)cc1 ZINC000072378845 558967836 /nfs/dbraw/zinc/96/78/36/558967836.db2.gz UWZPHSJQNPWAJE-HXUWFJFHSA-N 1 2 418.541 4.348 40 0 HIABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccsc1)CC2 ZINC000096037039 559090964 /nfs/dbraw/zinc/09/09/64/559090964.db2.gz JCAOZCITRKSSDK-UHFFFAOYSA-N 1 2 406.555 4.079 40 0 HIABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccsc1)CC2 ZINC000096037039 559090965 /nfs/dbraw/zinc/09/09/65/559090965.db2.gz JCAOZCITRKSSDK-UHFFFAOYSA-N 1 2 406.555 4.079 40 0 HIABLO COc1cccc(-c2cccc3c([C@H]4CN(Cc5c(C)noc5C)CCO4)[nH+]cn32)c1 ZINC000096267333 559108103 /nfs/dbraw/zinc/10/81/03/559108103.db2.gz PIZGIORCBLNHAX-HSZRJFAPSA-N 1 2 418.497 4.188 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260963 559110024 /nfs/dbraw/zinc/11/00/24/559110024.db2.gz PDUDREDMCHMTPC-VWLOTQADSA-N 1 2 414.509 4.153 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000585260963 559110026 /nfs/dbraw/zinc/11/00/26/559110026.db2.gz PDUDREDMCHMTPC-VWLOTQADSA-N 1 2 414.509 4.153 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260965 559110075 /nfs/dbraw/zinc/11/00/75/559110075.db2.gz PVQVHDLEEQGYHG-VWLOTQADSA-N 1 2 414.509 4.153 40 0 HIABLO c1c(CCOc2ccccc2)[nH]nc1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000585260965 559110077 /nfs/dbraw/zinc/11/00/77/559110077.db2.gz PVQVHDLEEQGYHG-VWLOTQADSA-N 1 2 414.509 4.153 40 0 HIABLO Cn1c[nH+]c(CN2CCC[C@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)c1 ZINC000585295190 559138452 /nfs/dbraw/zinc/13/84/52/559138452.db2.gz PCCMVXRIMKIHJB-KRWDZBQOSA-N 1 2 401.923 4.119 40 0 HIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000894466 560543657 /nfs/dbraw/zinc/54/36/57/560543657.db2.gz FAMGWHCGKGYLMO-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000894466 560543659 /nfs/dbraw/zinc/54/36/59/560543659.db2.gz FAMGWHCGKGYLMO-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO CCOc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000001346376 560576336 /nfs/dbraw/zinc/57/63/36/560576336.db2.gz IHGUJOJHWHZJRV-UHFFFAOYSA-N 1 2 419.510 4.253 40 0 HIABLO CCCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000001370963 560581130 /nfs/dbraw/zinc/58/11/30/560581130.db2.gz CESXEODGMWGLAL-UHFFFAOYSA-N 1 2 405.502 4.003 40 0 HIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000004160727 560601570 /nfs/dbraw/zinc/60/15/70/560601570.db2.gz IYQBMNZAFSXSKQ-QFIPXVFZSA-N 1 2 420.561 4.068 40 0 HIABLO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 ZINC000004847597 560609505 /nfs/dbraw/zinc/60/95/05/560609505.db2.gz QOEQMAFMOPHMHB-UHFFFAOYSA-N 1 2 400.544 4.147 40 0 HIABLO CCC(C)(C)n1nnnc1[C@H](c1ccncc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925547 560618765 /nfs/dbraw/zinc/61/87/65/560618765.db2.gz UEQGZQMAJYVFRO-QFIPXVFZSA-N 1 2 404.562 4.257 40 0 HIABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)c1C ZINC000020121731 560880862 /nfs/dbraw/zinc/88/08/62/560880862.db2.gz ZTBPOGIRWZMMPV-DEOSSOPVSA-N 1 2 416.573 4.317 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000020139924 560881192 /nfs/dbraw/zinc/88/11/92/560881192.db2.gz OQZQKHQEBJAORX-HSZRJFAPSA-N 1 2 418.589 4.347 40 0 HIABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000057614027 568493989 /nfs/dbraw/zinc/49/39/89/568493989.db2.gz HQKKAZXOKMGREW-NRFANRHFSA-N 1 2 413.953 4.372 40 0 HIABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000057614027 568493990 /nfs/dbraw/zinc/49/39/90/568493990.db2.gz HQKKAZXOKMGREW-NRFANRHFSA-N 1 2 413.953 4.372 40 0 HIABLO CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670596 568494656 /nfs/dbraw/zinc/49/46/56/568494656.db2.gz IOSSKGYCOZLWJL-HSZRJFAPSA-N 1 2 404.562 4.002 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670768 568494883 /nfs/dbraw/zinc/49/48/83/568494883.db2.gz FVIBEXRWDQODSS-QHCPKHFHSA-N 1 2 422.552 4.141 40 0 HIABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4csc(C)n4)C3)CO[C@H]21 ZINC000257199604 568775927 /nfs/dbraw/zinc/77/59/27/568775927.db2.gz AABURDSCRQQKNE-PKOBYXMFSA-N 1 2 400.544 4.211 40 0 HIABLO CO[C@H]1CC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@]12CCCO2 ZINC000257209633 568778929 /nfs/dbraw/zinc/77/89/29/568778929.db2.gz BRFQJAYXIJOSRU-GMAHTHKFSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@]12CCCO2 ZINC000257209633 568778930 /nfs/dbraw/zinc/77/89/30/568778930.db2.gz BRFQJAYXIJOSRU-GMAHTHKFSA-N 1 2 410.539 4.086 40 0 HIABLO NC(=O)c1cccc(-c2cccc([C@H]3C[N@H+](Cc4ccccc4Cl)CCO3)n2)c1 ZINC000257212186 568779542 /nfs/dbraw/zinc/77/95/42/568779542.db2.gz CCHHKVMKXPIWKW-JOCHJYFZSA-N 1 2 407.901 4.074 40 0 HIABLO NC(=O)c1cccc(-c2cccc([C@H]3C[N@@H+](Cc4ccccc4Cl)CCO3)n2)c1 ZINC000257212186 568779544 /nfs/dbraw/zinc/77/95/44/568779544.db2.gz CCHHKVMKXPIWKW-JOCHJYFZSA-N 1 2 407.901 4.074 40 0 HIABLO COc1ccc(-c2cncc([C@H]3C[N@H+](Cc4ccc(C)cc4OC)CCO3)n2)cc1 ZINC000257215017 568780384 /nfs/dbraw/zinc/78/03/84/568780384.db2.gz COIIIJHJMAPQGQ-XMMPIXPASA-N 1 2 405.498 4.043 40 0 HIABLO COc1ccc(-c2cncc([C@H]3C[N@@H+](Cc4ccc(C)cc4OC)CCO3)n2)cc1 ZINC000257215017 568780387 /nfs/dbraw/zinc/78/03/87/568780387.db2.gz COIIIJHJMAPQGQ-XMMPIXPASA-N 1 2 405.498 4.043 40 0 HIABLO Cc1nnc(Nc2cccc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257215292 568780705 /nfs/dbraw/zinc/78/07/05/568780705.db2.gz CPMFFIDNKJJHKB-HXUWFJFHSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1nnc(Nc2cccc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257215292 568780708 /nfs/dbraw/zinc/78/07/08/568780708.db2.gz CPMFFIDNKJJHKB-HXUWFJFHSA-N 1 2 418.526 4.107 40 0 HIABLO COc1cccc2ccc(C[N@@H+]3CCCC[C@H]3c3nnc(-c4ccccn4)o3)nc21 ZINC000257229278 568784751 /nfs/dbraw/zinc/78/47/51/568784751.db2.gz FXLMVLDTDZTEIT-IBGZPJMESA-N 1 2 401.470 4.416 40 0 HIABLO COc1cccc2ccc(C[N@H+]3CCCC[C@H]3c3nnc(-c4ccccn4)o3)nc21 ZINC000257229278 568784754 /nfs/dbraw/zinc/78/47/54/568784754.db2.gz FXLMVLDTDZTEIT-IBGZPJMESA-N 1 2 401.470 4.416 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)c(C)n1 ZINC000257231182 568785136 /nfs/dbraw/zinc/78/51/36/568785136.db2.gz GFQHBLUJJVTOCP-VWLOTQADSA-N 1 2 404.558 4.388 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)c(C)n1 ZINC000257231182 568785138 /nfs/dbraw/zinc/78/51/38/568785138.db2.gz GFQHBLUJJVTOCP-VWLOTQADSA-N 1 2 404.558 4.388 40 0 HIABLO O=C(C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1)Nc1ccccc1F ZINC000257267249 568794856 /nfs/dbraw/zinc/79/48/56/568794856.db2.gz MGNUJOKOHUAOIC-UHFFFAOYSA-N 1 2 405.477 4.177 40 0 HIABLO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccccn1 ZINC000257333694 568814090 /nfs/dbraw/zinc/81/40/90/568814090.db2.gz YCQOVUWOCBTVBG-NRFANRHFSA-N 1 2 424.932 4.109 40 0 HIABLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccccn1 ZINC000257333694 568814092 /nfs/dbraw/zinc/81/40/92/568814092.db2.gz YCQOVUWOCBTVBG-NRFANRHFSA-N 1 2 424.932 4.109 40 0 HIABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1Cl ZINC000261361579 568819305 /nfs/dbraw/zinc/81/93/05/568819305.db2.gz ABFNTJOPWMNNGV-GOSISDBHSA-O 1 2 415.926 4.360 40 0 HIABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306131883 568894168 /nfs/dbraw/zinc/89/41/68/568894168.db2.gz KRZINWFHSCGMAK-OAQYLSRUSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccsc5)CCO4)nnn3c2)cc1 ZINC000306131883 568894169 /nfs/dbraw/zinc/89/41/69/568894169.db2.gz KRZINWFHSCGMAK-OAQYLSRUSA-N 1 2 406.511 4.040 40 0 HIABLO CNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328967221 568970319 /nfs/dbraw/zinc/97/03/19/568970319.db2.gz CREMIYHXUJSBCX-UHFFFAOYSA-N 1 2 412.774 4.464 40 0 HIABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc(OC)c1 ZINC000329072263 568976060 /nfs/dbraw/zinc/97/60/60/568976060.db2.gz ZWRXFUCPGWPZMF-UHFFFAOYSA-N 1 2 404.514 4.493 40 0 HIABLO Cc1cccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000008433914 569340974 /nfs/dbraw/zinc/34/09/74/569340974.db2.gz FAOWRKGAGHKQLZ-UHFFFAOYSA-N 1 2 402.494 4.179 40 0 HIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)ccc1Br ZINC000328968408 571307590 /nfs/dbraw/zinc/30/75/90/571307590.db2.gz CYNCCLWSYYUXIR-UHFFFAOYSA-N 1 2 413.319 4.752 40 0 HIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)ccc1Br ZINC000328966249 571307709 /nfs/dbraw/zinc/30/77/09/571307709.db2.gz CKETYUYJFLOYCW-CQSZACIVSA-N 1 2 413.319 4.751 40 0 HIABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cc1 ZINC000096111771 291266348 /nfs/dbraw/zinc/26/63/48/291266348.db2.gz DBPPOLLTPGDMTQ-UPVQGACJSA-N 1 2 414.505 4.264 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cc1 ZINC000096111771 291266351 /nfs/dbraw/zinc/26/63/51/291266351.db2.gz DBPPOLLTPGDMTQ-UPVQGACJSA-N 1 2 414.505 4.264 40 0 biogenic,in-vitro HIABLO Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675132 291268505 /nfs/dbraw/zinc/26/85/05/291268505.db2.gz IWUBUQIGUFFHLY-MJGOQNOKSA-N 1 2 401.869 4.069 40 0 biogenic,in-vitro HIABLO Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675132 291268506 /nfs/dbraw/zinc/26/85/06/291268506.db2.gz IWUBUQIGUFFHLY-MJGOQNOKSA-N 1 2 401.869 4.069 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111827 291270297 /nfs/dbraw/zinc/27/02/97/291270297.db2.gz QWPACIBAQSRFFP-UNMCSNQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111827 291270298 /nfs/dbraw/zinc/27/02/98/291270298.db2.gz QWPACIBAQSRFFP-UNMCSNQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036104856 557834329 /nfs/dbraw/zinc/83/43/29/557834329.db2.gz LROPGLBQDUOMDS-SUNYJGFJSA-N 1 2 400.548 4.135 40 0 HIABLO Clc1ccc(-c2nc(NCCc3cnccn3)ncc2-c2[nH]cc[nH+]2)c(Cl)c1 ZINC000012221796 558356173 /nfs/dbraw/zinc/35/61/73/558356173.db2.gz CIQNETUPMYBXPL-UHFFFAOYSA-N 1 2 412.284 4.285 40 0 HIABLO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(Cl)c(F)c4)[C@H]3C2)cc1 ZINC000012328384 558383550 /nfs/dbraw/zinc/38/35/50/558383550.db2.gz QQBYJPMWRXZWOO-UTKZUKDTSA-N 1 2 402.897 4.224 40 0 HIABLO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc(Cl)c(F)c4)[C@H]3C2)cc1 ZINC000012328384 558383551 /nfs/dbraw/zinc/38/35/51/558383551.db2.gz QQBYJPMWRXZWOO-UTKZUKDTSA-N 1 2 402.897 4.224 40 0 HIABLO CCCCN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635292 558553855 /nfs/dbraw/zinc/55/38/55/558553855.db2.gz RXMVGNPFTLEVOQ-QFIPXVFZSA-N 1 2 424.342 4.466 40 0 HIABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373581 558880770 /nfs/dbraw/zinc/88/07/70/558880770.db2.gz AOEAOICEPQHLNW-UHFFFAOYSA-N 1 2 410.477 4.183 40 0 HIABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373581 558880772 /nfs/dbraw/zinc/88/07/72/558880772.db2.gz AOEAOICEPQHLNW-UHFFFAOYSA-N 1 2 410.477 4.183 40 0 HIABLO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c2sccn12 ZINC000019523096 558904189 /nfs/dbraw/zinc/90/41/89/558904189.db2.gz PKBRYJXJJRKAEL-INIZCTEOSA-N 1 2 420.542 4.445 40 0 HIABLO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)c2sccn12 ZINC000019523096 558904192 /nfs/dbraw/zinc/90/41/92/558904192.db2.gz PKBRYJXJJRKAEL-INIZCTEOSA-N 1 2 420.542 4.445 40 0 HIABLO CCOc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1OC ZINC000019532103 558912383 /nfs/dbraw/zinc/91/23/83/558912383.db2.gz POIOMLCWIGUZMW-UHFFFAOYSA-N 1 2 410.562 4.166 40 0 HIABLO CCOc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1OC ZINC000019532103 558912386 /nfs/dbraw/zinc/91/23/86/558912386.db2.gz POIOMLCWIGUZMW-UHFFFAOYSA-N 1 2 410.562 4.166 40 0 HIABLO CC(C)n1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)c2ccccc21 ZINC000072335532 558936556 /nfs/dbraw/zinc/93/65/56/558936556.db2.gz OQQMOVYVAQKWRZ-UHFFFAOYSA-N 1 2 405.546 4.266 40 0 HIABLO CC(C)n1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)c2ccccc21 ZINC000072335532 558936560 /nfs/dbraw/zinc/93/65/60/558936560.db2.gz OQQMOVYVAQKWRZ-UHFFFAOYSA-N 1 2 405.546 4.266 40 0 HIABLO CC(=O)Nc1ccc(C(=O)C[NH+]2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)cc1 ZINC000072341852 558940056 /nfs/dbraw/zinc/94/00/56/558940056.db2.gz VQLDQHOXJCRGKW-UHFFFAOYSA-N 1 2 410.901 4.422 40 0 HIABLO Cc1c(-c2csc(NC(=O)COc3cc(C)[nH+]c4ccc(C)cc43)n2)cnn1C ZINC000019655423 558948863 /nfs/dbraw/zinc/94/88/63/558948863.db2.gz IMVHZXGYNRLYAG-UHFFFAOYSA-N 1 2 407.499 4.035 40 0 HIABLO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353819 558950905 /nfs/dbraw/zinc/95/09/05/558950905.db2.gz SLWFXDXWTIELLV-IBGZPJMESA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072353819 558950907 /nfs/dbraw/zinc/95/09/07/558950907.db2.gz SLWFXDXWTIELLV-IBGZPJMESA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cc2[nH]c(CCNC(=O)CCc3nc4cc(Cl)ccc4n3C)[nH+]c2cc1C ZINC000019714220 558973949 /nfs/dbraw/zinc/97/39/49/558973949.db2.gz NOBYLRURLNMMCT-UHFFFAOYSA-N 1 2 409.921 4.011 40 0 HIABLO C[NH+]1CCN(C(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)CC1 ZINC000096154472 559098916 /nfs/dbraw/zinc/09/89/16/559098916.db2.gz TZERCEFPIQWLFW-UHFFFAOYSA-N 1 2 404.495 4.006 40 0 HIABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376854 559186577 /nfs/dbraw/zinc/18/65/77/559186577.db2.gz QRZNDZWUZGTXMB-HXUWFJFHSA-N 1 2 423.467 4.170 40 0 HIABLO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072376854 559186579 /nfs/dbraw/zinc/18/65/79/559186579.db2.gz QRZNDZWUZGTXMB-HXUWFJFHSA-N 1 2 423.467 4.170 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000889985 560542399 /nfs/dbraw/zinc/54/23/99/560542399.db2.gz FRAGAWAAFBWWQL-JOCHJYFZSA-N 1 2 420.561 4.212 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121069 560880722 /nfs/dbraw/zinc/88/07/22/560880722.db2.gz HCUPAKSFQPSIHU-VWLOTQADSA-N 1 2 409.537 4.372 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121069 560880724 /nfs/dbraw/zinc/88/07/24/560880724.db2.gz HCUPAKSFQPSIHU-VWLOTQADSA-N 1 2 409.537 4.372 40 0 HIABLO c1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020121590 560880762 /nfs/dbraw/zinc/88/07/62/560880762.db2.gz DJROJDGOOLERST-HSZRJFAPSA-N 1 2 402.546 4.090 40 0 HIABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COC(C)C ZINC000224432227 568581158 /nfs/dbraw/zinc/58/11/58/568581158.db2.gz DQUAZOSUAGINFO-JXMROGBWSA-N 1 2 408.542 4.091 40 0 HIABLO CSc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1NC(C)=O ZINC000224979985 568607360 /nfs/dbraw/zinc/60/73/60/568607360.db2.gz KVAMPAAAMJKZJN-UHFFFAOYSA-N 1 2 419.572 4.158 40 0 HIABLO Cc1[nH+]c2c(C)cccn2c1CN1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257305196 568806087 /nfs/dbraw/zinc/80/60/87/568806087.db2.gz SOVOOPSPJMKBEB-OAQYLSRUSA-N 1 2 414.513 4.058 40 0 HIABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3OC(C)C)c2)C1 ZINC000257334036 568814182 /nfs/dbraw/zinc/81/41/82/568814182.db2.gz YEGCWXFVSUWOEV-FQEVSTJZSA-N 1 2 419.529 4.207 40 0 HIABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)cc1 ZINC000261366203 568819826 /nfs/dbraw/zinc/81/98/26/568819826.db2.gz XYFVSFKDGLABQT-HXUWFJFHSA-O 1 2 409.535 4.487 40 0 HIABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccsc1 ZINC000261365616 568819836 /nfs/dbraw/zinc/81/98/36/568819836.db2.gz UEJYNEREHUUQET-LJQANCHMSA-O 1 2 413.548 4.004 40 0 HIABLO CCCN(CCC)C(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140075 568901975 /nfs/dbraw/zinc/90/19/75/568901975.db2.gz UIVPBPAGSWGNQP-OAQYLSRUSA-N 1 2 405.546 4.329 40 0 HIABLO CCCN(CCC)C(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306140075 568901976 /nfs/dbraw/zinc/90/19/76/568901976.db2.gz UIVPBPAGSWGNQP-OAQYLSRUSA-N 1 2 405.546 4.329 40 0 HIABLO O=C(NCc1ccccc1)c1cnn2c1C[N@H+](CC1CCCCC1)Cc1cccnc1-2 ZINC000306140444 568902258 /nfs/dbraw/zinc/90/22/58/568902258.db2.gz UTXHKVRSQFGPET-UHFFFAOYSA-N 1 2 415.541 4.093 40 0 HIABLO O=C(NCc1ccccc1)c1cnn2c1C[N@@H+](CC1CCCCC1)Cc1cccnc1-2 ZINC000306140444 568902260 /nfs/dbraw/zinc/90/22/60/568902260.db2.gz UTXHKVRSQFGPET-UHFFFAOYSA-N 1 2 415.541 4.093 40 0 HIABLO CNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328967515 568970305 /nfs/dbraw/zinc/97/03/05/568970305.db2.gz CUACVYCCWOXLSN-UHFFFAOYSA-N 1 2 408.811 4.193 40 0 HIABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329000673 568971919 /nfs/dbraw/zinc/97/19/19/568971919.db2.gz KBDUBFUFOBNOSR-UHFFFAOYSA-N 1 2 400.482 4.447 40 0 HIABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329000673 568971921 /nfs/dbraw/zinc/97/19/21/568971921.db2.gz KBDUBFUFOBNOSR-UHFFFAOYSA-N 1 2 400.482 4.447 40 0 HIABLO CNc1nc(Nc2ccccc2SC)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329033339 568973767 /nfs/dbraw/zinc/97/37/67/568973767.db2.gz QTRRZBDYABJTCA-UHFFFAOYSA-N 1 2 406.433 4.393 40 0 HIABLO COc1ccc(-c2nccnc2[C@@H]2C[N@H+](Cc3ccc(C)cc3OC)CCO2)cc1 ZINC000019693280 569428444 /nfs/dbraw/zinc/42/84/44/569428444.db2.gz ZDWKTUQQYFRXAM-QFIPXVFZSA-N 1 2 405.498 4.043 40 0 HIABLO COc1ccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3ccc(C)cc3OC)CCO2)cc1 ZINC000019693280 569428445 /nfs/dbraw/zinc/42/84/45/569428445.db2.gz ZDWKTUQQYFRXAM-QFIPXVFZSA-N 1 2 405.498 4.043 40 0 HIABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464503 575366948 /nfs/dbraw/zinc/36/69/48/575366948.db2.gz BQWGVKZBVLINOP-FQEVSTJZSA-N 1 2 414.469 4.408 40 0 biogenic,in-vitro HIABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464503 575366952 /nfs/dbraw/zinc/36/69/52/575366952.db2.gz BQWGVKZBVLINOP-FQEVSTJZSA-N 1 2 414.469 4.408 40 0 biogenic,in-vitro HIABLO O=C(c1ccc(F)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675852 291270020 /nfs/dbraw/zinc/27/00/20/291270020.db2.gz BVMGTLHJJPQVIH-SFHVURJKSA-N 1 2 423.835 4.192 40 0 biogenic,in-vitro HIABLO O=C(c1ccc(F)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675852 291270024 /nfs/dbraw/zinc/27/00/24/291270024.db2.gz BVMGTLHJJPQVIH-SFHVURJKSA-N 1 2 423.835 4.192 40 0 biogenic,in-vitro HIABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)nc1C ZINC000019753394 558272759 /nfs/dbraw/zinc/27/27/59/558272759.db2.gz IBHMLSNXVHVXLH-NRFANRHFSA-N 1 2 417.513 4.168 40 0 HIABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2ccncc2)nc1C ZINC000019753394 558272762 /nfs/dbraw/zinc/27/27/62/558272762.db2.gz IBHMLSNXVHVXLH-NRFANRHFSA-N 1 2 417.513 4.168 40 0 HIABLO Cc1ccccc1[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000020039282 558325554 /nfs/dbraw/zinc/32/55/54/558325554.db2.gz IFADTIFIGKOBTP-RUZDIDTESA-N 1 2 400.522 4.347 40 0 HIABLO COc1ccc([C@@H](NC(=O)C2(c3ccccc3)CCCC2)c2[nH+]ccn2C)cc1OC ZINC000012114951 558327581 /nfs/dbraw/zinc/32/75/81/558327581.db2.gz LUFIDZMUMQXCBG-JOCHJYFZSA-N 1 2 419.525 4.155 40 0 HIABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000036616298 558730908 /nfs/dbraw/zinc/73/09/08/558730908.db2.gz GDIFYOIOYFXQGM-MRXNPFEDSA-N 1 2 414.513 4.395 40 0 HIABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000030849813 558739734 /nfs/dbraw/zinc/73/97/34/558739734.db2.gz BAIGDQRSDZKNAR-UHFFFAOYSA-N 1 2 405.479 4.143 40 0 HIABLO COc1ccccc1[C@@H](c1c2c(sc1NC(C)=O)CCCC2)[NH+]1CCOCC1 ZINC000020192283 558756260 /nfs/dbraw/zinc/75/62/60/558756260.db2.gz YWKKJTFQUKAJGO-NRFANRHFSA-N 1 2 400.544 4.016 40 0 HIABLO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1cc(C)nn1Cc1cccnc1 ZINC000019525499 558906704 /nfs/dbraw/zinc/90/67/04/558906704.db2.gz BUTUDVSNXRBVAK-QGZVFWFLSA-N 1 2 402.502 4.137 40 0 HIABLO COc1cc2c(cc1OC)[C@@H](c1cc(C)c(O)c(C)c1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019570054 558928958 /nfs/dbraw/zinc/92/89/58/558928958.db2.gz NKSJUWNTFOOIPE-NFBKMPQASA-N 1 2 420.509 4.406 40 0 HIABLO COc1cccc(C[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@@H]2CCCO2)c1OC ZINC000019577428 558933184 /nfs/dbraw/zinc/93/31/84/558933184.db2.gz RXKZFWYISYUZNP-FQEVSTJZSA-N 1 2 401.551 4.279 40 0 HIABLO COc1cccc(C[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@@H]2CCCO2)c1OC ZINC000019577428 558933186 /nfs/dbraw/zinc/93/31/86/558933186.db2.gz RXKZFWYISYUZNP-FQEVSTJZSA-N 1 2 401.551 4.279 40 0 HIABLO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072348885 558945516 /nfs/dbraw/zinc/94/55/16/558945516.db2.gz NDNJCYVFPWLQIM-MRXNPFEDSA-N 1 2 408.527 4.032 40 0 HIABLO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072348885 558945517 /nfs/dbraw/zinc/94/55/17/558945517.db2.gz NDNJCYVFPWLQIM-MRXNPFEDSA-N 1 2 408.527 4.032 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)s1 ZINC000072375175 558963647 /nfs/dbraw/zinc/96/36/47/558963647.db2.gz MRSVKVAFPRRTOX-HNNXBMFYSA-N 1 2 414.560 4.131 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)s1 ZINC000072375175 558963650 /nfs/dbraw/zinc/96/36/50/558963650.db2.gz MRSVKVAFPRRTOX-HNNXBMFYSA-N 1 2 414.560 4.131 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccccc1F ZINC000072375960 558965072 /nfs/dbraw/zinc/96/50/72/558965072.db2.gz PRIADBSPROMJGT-QGZVFWFLSA-N 1 2 405.477 4.177 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccccc1F ZINC000072375960 558965075 /nfs/dbraw/zinc/96/50/75/558965075.db2.gz PRIADBSPROMJGT-QGZVFWFLSA-N 1 2 405.477 4.177 40 0 HIABLO COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378840 558967894 /nfs/dbraw/zinc/96/78/94/558967894.db2.gz WLXHQPAGUOIKDZ-OAQYLSRUSA-N 1 2 404.514 4.306 40 0 HIABLO C[NH+]1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccccc5)ccc43)s2)CC1 ZINC000096154513 559098950 /nfs/dbraw/zinc/09/89/50/559098950.db2.gz HRRXKJYZCOOQKQ-UHFFFAOYSA-N 1 2 404.495 4.006 40 0 HIABLO CCNC(=O)Nc1ccc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072352961 559185576 /nfs/dbraw/zinc/18/55/76/559185576.db2.gz UHRZOGJYTNDARE-UHFFFAOYSA-N 1 2 409.465 4.257 40 0 HIABLO CCNC(=O)Nc1ccc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 ZINC000072352961 559185577 /nfs/dbraw/zinc/18/55/77/559185577.db2.gz UHRZOGJYTNDARE-UHFFFAOYSA-N 1 2 409.465 4.257 40 0 HIABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000000889301 560542345 /nfs/dbraw/zinc/54/23/45/560542345.db2.gz QUYVXVSXCHNAFR-JOCHJYFZSA-N 1 2 420.561 4.150 40 0 HIABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000000927105 560556989 /nfs/dbraw/zinc/55/69/89/560556989.db2.gz OHOYUQFLUGBYBL-UHFFFAOYSA-N 1 2 422.577 4.221 40 0 HIABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000000927105 560556991 /nfs/dbraw/zinc/55/69/91/560556991.db2.gz OHOYUQFLUGBYBL-UHFFFAOYSA-N 1 2 422.577 4.221 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000001224894 560572591 /nfs/dbraw/zinc/57/25/91/560572591.db2.gz DBQZSLHCGAHLMD-HTAPYJJXSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000001224894 560572594 /nfs/dbraw/zinc/57/25/94/560572594.db2.gz DBQZSLHCGAHLMD-HTAPYJJXSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000001224955 560572642 /nfs/dbraw/zinc/57/26/42/560572642.db2.gz FAMGWHCGKGYLMO-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000001224955 560572645 /nfs/dbraw/zinc/57/26/45/560572645.db2.gz FAMGWHCGKGYLMO-OYHNWAKOSA-N 1 2 420.561 4.068 40 0 HIABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000004966710 560621779 /nfs/dbraw/zinc/62/17/79/560621779.db2.gz NACSFGCHNVEPCE-UHFFFAOYSA-N 1 2 408.395 4.378 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000012470069 560780781 /nfs/dbraw/zinc/78/07/81/560780781.db2.gz FIFIQUODPRGWMZ-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc12 ZINC000012470069 560780783 /nfs/dbraw/zinc/78/07/83/560780783.db2.gz FIFIQUODPRGWMZ-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)c(C)c1 ZINC000057316781 568490847 /nfs/dbraw/zinc/49/08/47/568490847.db2.gz VKQSSYGXTPZIRR-UHFFFAOYSA-N 1 2 405.424 4.384 40 0 HIABLO CC[N@H+](CCCNC(=O)c1ccc(C)cc1I)c1ccccc1 ZINC000225031597 568610077 /nfs/dbraw/zinc/61/00/77/568610077.db2.gz JXXXSJIVYBQGTI-UHFFFAOYSA-N 1 2 422.310 4.246 40 0 HIABLO CC[N@@H+](CCCNC(=O)c1ccc(C)cc1I)c1ccccc1 ZINC000225031597 568610079 /nfs/dbraw/zinc/61/00/79/568610079.db2.gz JXXXSJIVYBQGTI-UHFFFAOYSA-N 1 2 422.310 4.246 40 0 HIABLO Cc1ccc2[nH]c(-c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1 ZINC000225263423 568626510 /nfs/dbraw/zinc/62/65/10/568626510.db2.gz YUPDRWNHJSIJID-UHFFFAOYSA-N 1 2 410.521 4.496 40 0 HIABLO Cc1ccc2nc(-c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2c1 ZINC000225263423 568626511 /nfs/dbraw/zinc/62/65/11/568626511.db2.gz YUPDRWNHJSIJID-UHFFFAOYSA-N 1 2 410.521 4.496 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000257235750 568786385 /nfs/dbraw/zinc/78/63/85/568786385.db2.gz GZFXYEPITSJCJK-FQEVSTJZSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)s1 ZINC000257235750 568786386 /nfs/dbraw/zinc/78/63/86/568786386.db2.gz GZFXYEPITSJCJK-FQEVSTJZSA-N 1 2 418.950 4.023 40 0 HIABLO COc1ccc2nc(C[N@@H+]3CCCC[C@H]3c3nnc(-c4ccccn4)o3)ccc2c1 ZINC000257285821 568800225 /nfs/dbraw/zinc/80/02/25/568800225.db2.gz PJAFIMYCELKAEK-NRFANRHFSA-N 1 2 401.470 4.416 40 0 HIABLO COc1ccc2nc(C[N@H+]3CCCC[C@H]3c3nnc(-c4ccccn4)o3)ccc2c1 ZINC000257285821 568800228 /nfs/dbraw/zinc/80/02/28/568800228.db2.gz PJAFIMYCELKAEK-NRFANRHFSA-N 1 2 401.470 4.416 40 0 HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257315811 568808956 /nfs/dbraw/zinc/80/89/56/568808956.db2.gz VCWIKTMVPFAJBH-QFIPXVFZSA-N 1 2 418.472 4.426 40 0 HIABLO CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329020867 568973047 /nfs/dbraw/zinc/97/30/47/568973047.db2.gz OEHRYMNVAMUVBJ-UHFFFAOYSA-N 1 2 424.373 4.208 40 0 HIABLO Fc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CC3)n2)c1 ZINC000329069781 568975767 /nfs/dbraw/zinc/97/57/67/568975767.db2.gz ZAVYJYYAZAOGSV-UHFFFAOYSA-N 1 2 418.394 4.212 40 0 HIABLO Cc1ccc(C)c(OCc2ccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)o2)c1 ZINC000028631846 569026543 /nfs/dbraw/zinc/02/65/43/569026543.db2.gz FEMKTAZJAYDZCL-UHFFFAOYSA-N 1 2 410.539 4.495 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@H]2C[N@H+](Cc3cnc(C)s3)CCO2)nc1 ZINC000019692267 569346003 /nfs/dbraw/zinc/34/60/03/569346003.db2.gz MBFMNSJXYMFCTG-HSZRJFAPSA-N 1 2 409.555 4.410 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)nc1 ZINC000019692267 569346004 /nfs/dbraw/zinc/34/60/04/569346004.db2.gz MBFMNSJXYMFCTG-HSZRJFAPSA-N 1 2 409.555 4.410 40 0 HIABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@H](c4c5ccccc5sc4C(N)=O)C3)ccc2O1 ZINC000019697583 569346869 /nfs/dbraw/zinc/34/68/69/569346869.db2.gz YKVRKRYNYARLHB-IBGZPJMESA-N 1 2 422.550 4.287 40 0 HIABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@H](c4c5ccccc5sc4C(N)=O)C3)ccc2O1 ZINC000019697583 569346870 /nfs/dbraw/zinc/34/68/70/569346870.db2.gz YKVRKRYNYARLHB-IBGZPJMESA-N 1 2 422.550 4.287 40 0 HIABLO CCn1c(C[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)nc2ccccc21 ZINC000019704536 569347705 /nfs/dbraw/zinc/34/77/05/569347705.db2.gz QLIIUPSJZWAARZ-KRWDZBQOSA-N 1 2 419.504 4.487 40 0 HIABLO CCn1c(C[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)nc2ccccc21 ZINC000019704536 569347706 /nfs/dbraw/zinc/34/77/06/569347706.db2.gz QLIIUPSJZWAARZ-KRWDZBQOSA-N 1 2 419.504 4.487 40 0 HIABLO Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)cc1 ZINC000328980902 571308418 /nfs/dbraw/zinc/30/84/18/571308418.db2.gz GQYMNJDMNKFOAY-UHFFFAOYSA-N 1 2 418.419 4.889 40 0 HIABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(Cl)cc3)n2)cc1 ZINC000015675690 291266068 /nfs/dbraw/zinc/26/60/68/291266068.db2.gz ICDHHYIOKDJFDA-FQEVSTJZSA-N 1 2 421.888 4.421 40 0 biogenic,in-vitro HIABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676068 291268083 /nfs/dbraw/zinc/26/80/83/291268083.db2.gz BQOPLRVJZOENDM-IBGZPJMESA-N 1 2 418.432 4.239 40 0 biogenic,in-vitro HIABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676068 291268085 /nfs/dbraw/zinc/26/80/85/291268085.db2.gz BQOPLRVJZOENDM-IBGZPJMESA-N 1 2 418.432 4.239 40 0 biogenic,in-vitro HIABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccc(OC(F)(F)F)c3)n2)c1 ZINC000015674416 291268500 /nfs/dbraw/zinc/26/85/00/291268500.db2.gz OABOOFXHNHAASM-AEFFLSMTSA-N 1 2 419.403 4.252 40 0 biogenic,in-vitro HIABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccc(OC(F)(F)F)c3)n2)c1 ZINC000015674416 291268501 /nfs/dbraw/zinc/26/85/01/291268501.db2.gz OABOOFXHNHAASM-AEFFLSMTSA-N 1 2 419.403 4.252 40 0 biogenic,in-vitro HIABLO CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)cc1OC ZINC000032915553 520292780 /nfs/dbraw/zinc/29/27/80/520292780.db2.gz ZIMMXSJRGRBRQC-KBSZCIAZSA-N 1 2 403.910 4.257 40 0 HIABLO CC[NH+](CC)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000889974 557112006 /nfs/dbraw/zinc/11/20/06/557112006.db2.gz BVEPWOFWJJVLKF-NRFANRHFSA-N 1 2 408.550 4.068 40 0 HIABLO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)CCCC2 ZINC000038857850 558819554 /nfs/dbraw/zinc/81/95/54/558819554.db2.gz LLDPUYKXCDKVDI-UHFFFAOYSA-N 1 2 409.511 4.301 40 0 HIABLO Cc1ccc([C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)cc1 ZINC000018086783 558830881 /nfs/dbraw/zinc/83/08/81/558830881.db2.gz BCKJJEJYSVSOFH-VWLOTQADSA-N 1 2 400.522 4.347 40 0 HIABLO COc1ccccc1OCc1cc(C)c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000019119609 558842760 /nfs/dbraw/zinc/84/27/60/558842760.db2.gz HAZLMRCHAJODIP-NRFANRHFSA-N 1 2 420.509 4.305 40 0 HIABLO COc1ccccc1OCc1cc(C)c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000019119609 558842761 /nfs/dbraw/zinc/84/27/61/558842761.db2.gz HAZLMRCHAJODIP-NRFANRHFSA-N 1 2 420.509 4.305 40 0 HIABLO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2c(F)cccc2Cl)on1 ZINC000019120643 558843074 /nfs/dbraw/zinc/84/30/74/558843074.db2.gz SVOLCLVQZBXDEZ-VGOFRKELSA-N 1 2 415.896 4.430 40 0 HIABLO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2c(F)cccc2Cl)on1 ZINC000019120643 558843076 /nfs/dbraw/zinc/84/30/76/558843076.db2.gz SVOLCLVQZBXDEZ-VGOFRKELSA-N 1 2 415.896 4.430 40 0 HIABLO Cc1ccc([C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccncc2)cc1C ZINC000019213612 558849357 /nfs/dbraw/zinc/84/93/57/558849357.db2.gz CMCFTDXETKYTHN-VWLOTQADSA-N 1 2 415.537 4.050 40 0 HIABLO Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)n1 ZINC000019221538 558852006 /nfs/dbraw/zinc/85/20/06/558852006.db2.gz KTHQTSCOZCRTOQ-INIZCTEOSA-N 1 2 416.529 4.140 40 0 HIABLO Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)n1 ZINC000019221538 558852008 /nfs/dbraw/zinc/85/20/08/558852008.db2.gz KTHQTSCOZCRTOQ-INIZCTEOSA-N 1 2 416.529 4.140 40 0 HIABLO Cc1cccc(C2(CNC(=O)CCc3[nH]c4c(cc(C)cc4C)[nH+]3)CCOCC2)c1 ZINC000019234540 558853885 /nfs/dbraw/zinc/85/38/85/558853885.db2.gz MSJPWSSASYSISQ-UHFFFAOYSA-N 1 2 405.542 4.285 40 0 HIABLO COc1cc([C@@H]2NC(c3ccccc3)(c3ccccc3)CC[NH2+]2)cc(OC)c1OC ZINC000019322125 558867516 /nfs/dbraw/zinc/86/75/16/558867516.db2.gz SWDLERLJLTVXCN-DEOSSOPVSA-N 1 2 404.510 4.238 40 0 HIABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373583 558880790 /nfs/dbraw/zinc/88/07/90/558880790.db2.gz UHFBYBKHKCMKBK-UHFFFAOYSA-N 1 2 410.477 4.183 40 0 HIABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373583 558880791 /nfs/dbraw/zinc/88/07/91/558880791.db2.gz UHFBYBKHKCMKBK-UHFFFAOYSA-N 1 2 410.477 4.183 40 0 HIABLO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[N@H+](Cc2ccccn2)CC3)c1 ZINC000019401863 558883737 /nfs/dbraw/zinc/88/37/37/558883737.db2.gz VCQGBTXCJXIIOM-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[N@@H+](Cc2ccccn2)CC3)c1 ZINC000019401863 558883739 /nfs/dbraw/zinc/88/37/39/558883739.db2.gz VCQGBTXCJXIIOM-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019402050 558883829 /nfs/dbraw/zinc/88/38/29/558883829.db2.gz GNWXUNFMLJGDBH-KNQAVFIVSA-N 1 2 406.917 4.252 40 0 HIABLO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000019568597 558927669 /nfs/dbraw/zinc/92/76/69/558927669.db2.gz NKHAKOYOOGDBSS-UONOGXRCSA-N 1 2 421.423 4.104 40 0 HIABLO COc1cccc(C[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]2CCCO2)c1OC ZINC000019577430 558933201 /nfs/dbraw/zinc/93/32/01/558933201.db2.gz RXKZFWYISYUZNP-HXUWFJFHSA-N 1 2 401.551 4.279 40 0 HIABLO COc1cccc(C[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]2CCCO2)c1OC ZINC000019577430 558933203 /nfs/dbraw/zinc/93/32/03/558933203.db2.gz RXKZFWYISYUZNP-HXUWFJFHSA-N 1 2 401.551 4.279 40 0 HIABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3cccs3)cc2)C1 ZINC000019578100 558933726 /nfs/dbraw/zinc/93/37/26/558933726.db2.gz NYSAMZJYOYWNOK-NRFANRHFSA-N 1 2 422.598 4.155 40 0 HIABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3cccs3)cc2)C1 ZINC000019578100 558933727 /nfs/dbraw/zinc/93/37/27/558933727.db2.gz NYSAMZJYOYWNOK-NRFANRHFSA-N 1 2 422.598 4.155 40 0 HIABLO Cc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)n1 ZINC000072348902 558945669 /nfs/dbraw/zinc/94/56/69/558945669.db2.gz WOJUMCBERPYIOK-UHFFFAOYSA-N 1 2 406.555 4.255 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1)Nc1nccs1 ZINC000072348906 558945682 /nfs/dbraw/zinc/94/56/82/558945682.db2.gz PGRWFPHDKGKTBD-QGZVFWFLSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1)Nc1nccs1 ZINC000072348906 558945684 /nfs/dbraw/zinc/94/56/84/558945684.db2.gz PGRWFPHDKGKTBD-QGZVFWFLSA-N 1 2 410.518 4.086 40 0 HIABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)[nH+]2)C1 ZINC000072353891 558951149 /nfs/dbraw/zinc/95/11/49/558951149.db2.gz PMSIRKNFHZTIFQ-JOCHJYFZSA-N 1 2 415.603 4.055 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)s1 ZINC000019688225 558957740 /nfs/dbraw/zinc/95/77/40/558957740.db2.gz OEJYIUWIUVLCBN-IBGZPJMESA-N 1 2 424.545 4.395 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)s1 ZINC000019688225 558957742 /nfs/dbraw/zinc/95/77/42/558957742.db2.gz OEJYIUWIUVLCBN-IBGZPJMESA-N 1 2 424.545 4.395 40 0 HIABLO CCn1ncc(C[N@@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c1C ZINC000072372859 558960694 /nfs/dbraw/zinc/96/06/94/558960694.db2.gz RNTMNAIYEXRBGY-QFIPXVFZSA-N 1 2 408.594 4.200 40 0 HIABLO CCn1ncc(C[N@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c1C ZINC000072372859 558960696 /nfs/dbraw/zinc/96/06/96/558960696.db2.gz RNTMNAIYEXRBGY-QFIPXVFZSA-N 1 2 408.594 4.200 40 0 HIABLO CCn1cc(-c2cc(C(=O)Nc3cccc(-c4cn5cccc(C)c5[nH+]4)c3)no2)cn1 ZINC000019719239 558983055 /nfs/dbraw/zinc/98/30/55/558983055.db2.gz ZJWUGLKSRNTLLL-UHFFFAOYSA-N 1 2 412.453 4.433 40 0 HIABLO CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769462 559140171 /nfs/dbraw/zinc/14/01/71/559140171.db2.gz ZTSYXLQFKINYHP-QFIPXVFZSA-N 1 2 416.472 4.094 40 0 HIABLO C[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289934 560031567 /nfs/dbraw/zinc/03/15/67/560031567.db2.gz OSNUPMYSZBUXIS-WPFOTENUSA-N 1 2 424.541 4.384 40 0 biogenic,in-vitro HIABLO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289934 560031569 /nfs/dbraw/zinc/03/15/69/560031569.db2.gz OSNUPMYSZBUXIS-WPFOTENUSA-N 1 2 424.541 4.384 40 0 biogenic,in-vitro HIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000894566 560543329 /nfs/dbraw/zinc/54/33/29/560543329.db2.gz SJSKHWFKYNBQMD-JOCHJYFZSA-N 1 2 420.561 4.212 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000000894114 560543561 /nfs/dbraw/zinc/54/35/61/560543561.db2.gz FIFIQUODPRGWMZ-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc12 ZINC000000894114 560543563 /nfs/dbraw/zinc/54/35/63/560543563.db2.gz FIFIQUODPRGWMZ-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000925917 560556884 /nfs/dbraw/zinc/55/68/84/560556884.db2.gz LQPWAKZBBZZIDW-UHFFFAOYSA-N 1 2 420.561 4.137 40 0 HIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000925917 560556885 /nfs/dbraw/zinc/55/68/85/560556885.db2.gz LQPWAKZBBZZIDW-UHFFFAOYSA-N 1 2 420.561 4.137 40 0 HIABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000000926493 560557029 /nfs/dbraw/zinc/55/70/29/560557029.db2.gz UHMKAVFTNDHUGC-UHFFFAOYSA-N 1 2 422.577 4.221 40 0 HIABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000000926493 560557031 /nfs/dbraw/zinc/55/70/31/560557031.db2.gz UHMKAVFTNDHUGC-UHFFFAOYSA-N 1 2 422.577 4.221 40 0 HIABLO COc1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3CC(C)C)CC2)cc1 ZINC000001370976 560577785 /nfs/dbraw/zinc/57/77/85/560577785.db2.gz IGKWIVYKRIFWGM-UHFFFAOYSA-N 1 2 407.518 4.055 40 0 HIABLO CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222840098 568528092 /nfs/dbraw/zinc/52/80/92/568528092.db2.gz GFFYONZTTGSRSA-FGZHOGPDSA-N 1 2 405.571 4.319 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)s1 ZINC000257240178 568787439 /nfs/dbraw/zinc/78/74/39/568787439.db2.gz HSLPVBFKKOVACE-FQEVSTJZSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)s1 ZINC000257240178 568787441 /nfs/dbraw/zinc/78/74/41/568787441.db2.gz HSLPVBFKKOVACE-FQEVSTJZSA-N 1 2 418.950 4.023 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4ccc(OC)cc4)cc(C)n3)C2)c(C)n1 ZINC000257242066 568788180 /nfs/dbraw/zinc/78/81/80/568788180.db2.gz IAXWKDUZMLSDIM-RUZDIDTESA-N 1 2 420.557 4.088 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4ccc(OC)cc4)cc(C)n3)C2)c(C)n1 ZINC000257242066 568788182 /nfs/dbraw/zinc/78/81/82/568788182.db2.gz IAXWKDUZMLSDIM-RUZDIDTESA-N 1 2 420.557 4.088 40 0 HIABLO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCc4[nH]cc[nH+]4)CCOCC3)c2)c1 ZINC000257251005 568790481 /nfs/dbraw/zinc/79/04/81/568790481.db2.gz JOZDTEYNLMYGEA-UHFFFAOYSA-N 1 2 403.526 4.349 40 0 HIABLO Cc1csc(Nc2cccc(C(=O)N3CCC[C@@](C)(c4cc(N)nc(C)[nH+]4)C3)c2)n1 ZINC000257254908 568791671 /nfs/dbraw/zinc/79/16/71/568791671.db2.gz KFFHGCGDTSGSSG-JOCHJYFZSA-N 1 2 422.558 4.070 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)c(C)n1 ZINC000257270343 568795741 /nfs/dbraw/zinc/79/57/41/568795741.db2.gz MTUYPQBNMCSXDP-QHCPKHFHSA-N 1 2 410.949 4.424 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)c(C)n1 ZINC000257270343 568795742 /nfs/dbraw/zinc/79/57/42/568795742.db2.gz MTUYPQBNMCSXDP-QHCPKHFHSA-N 1 2 410.949 4.424 40 0 HIABLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000257271417 568795956 /nfs/dbraw/zinc/79/59/56/568795956.db2.gz MYFCRVLNBXGKQK-OAQYLSRUSA-N 1 2 424.932 4.109 40 0 HIABLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000257271417 568795957 /nfs/dbraw/zinc/79/59/57/568795957.db2.gz MYFCRVLNBXGKQK-OAQYLSRUSA-N 1 2 424.932 4.109 40 0 HIABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1 ZINC000261364360 568819512 /nfs/dbraw/zinc/81/95/12/568819512.db2.gz LBVPWODYCLZEMS-JOCHJYFZSA-O 1 2 421.546 4.332 40 0 HIABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn21 ZINC000306130405 568892598 /nfs/dbraw/zinc/89/25/98/568892598.db2.gz JFFGQLKBOCZMHD-QGZVFWFLSA-N 1 2 402.420 4.050 40 0 HIABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn21 ZINC000306130405 568892599 /nfs/dbraw/zinc/89/25/99/568892599.db2.gz JFFGQLKBOCZMHD-QGZVFWFLSA-N 1 2 402.420 4.050 40 0 HIABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(Br)c1 ZINC000329005937 568972156 /nfs/dbraw/zinc/97/21/56/568972156.db2.gz LASLYQWCAAQHAE-UHFFFAOYSA-N 1 2 413.241 4.297 40 0 HIABLO Brc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329024895 568973318 /nfs/dbraw/zinc/97/33/18/568973318.db2.gz PDCZAJNOUBZWSW-UHFFFAOYSA-N 1 2 424.346 4.112 40 0 HIABLO C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329031269 568973781 /nfs/dbraw/zinc/97/37/81/568973781.db2.gz QIFTZJMWWGJMOM-GFCCVEGCSA-N 1 2 422.838 4.196 40 0 HIABLO CCN1CC[NH+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)CC1 ZINC000216840639 569025627 /nfs/dbraw/zinc/02/56/27/569025627.db2.gz BLCLGVGWOLVVAU-UHFFFAOYSA-N 1 2 400.320 4.395 40 0 HIABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(F)cc1 ZINC000008433912 569341020 /nfs/dbraw/zinc/34/10/20/569341020.db2.gz XBRWIURELYXZMD-UHFFFAOYSA-N 1 2 406.457 4.010 40 0 HIABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529977 291264080 /nfs/dbraw/zinc/26/40/80/291264080.db2.gz QICQUIZCKVWCQG-IRXDYDNUSA-N 1 2 415.856 4.096 40 0 biogenic,in-vitro HIABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529977 291264083 /nfs/dbraw/zinc/26/40/83/291264083.db2.gz QICQUIZCKVWCQG-IRXDYDNUSA-N 1 2 415.856 4.096 40 0 biogenic,in-vitro HIABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(C)cc3)n2)cc1 ZINC000015675701 291265911 /nfs/dbraw/zinc/26/59/11/291265911.db2.gz JBGXSQVGVPDDKQ-NRFANRHFSA-N 1 2 401.470 4.076 40 0 biogenic,in-vitro HIABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675544 291266633 /nfs/dbraw/zinc/26/66/33/291266633.db2.gz BDYKLFXTTOVMDT-NRFANRHFSA-N 1 2 401.470 4.076 40 0 biogenic,in-vitro HIABLO COC(=O)c1c2c(sc1NC(=O)CSCc1ccc(Cl)cc1)C[N@@H+](C)CC2 ZINC000408563853 557470542 /nfs/dbraw/zinc/47/05/42/557470542.db2.gz RYIUBZDTRPWMBE-UHFFFAOYSA-N 1 2 424.975 4.048 40 0 HIABLO COC(=O)c1c2c(sc1NC(=O)CSCc1ccc(Cl)cc1)C[N@H+](C)CC2 ZINC000408563853 557470547 /nfs/dbraw/zinc/47/05/47/557470547.db2.gz RYIUBZDTRPWMBE-UHFFFAOYSA-N 1 2 424.975 4.048 40 0 HIABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020450769 558365494 /nfs/dbraw/zinc/36/54/94/558365494.db2.gz RPKRGQYJWYRLLH-UHFFFAOYSA-N 1 2 400.522 4.361 40 0 HIABLO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530715 558384223 /nfs/dbraw/zinc/38/42/23/558384223.db2.gz ZYXBDOJTTQXUFO-UHFFFAOYSA-N 1 2 424.953 4.416 40 0 HIABLO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023473185 558559164 /nfs/dbraw/zinc/55/91/64/558559164.db2.gz JYKLCIWIECNPRF-VWLOTQADSA-N 1 2 416.565 4.142 40 0 HIABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1OC ZINC000019116917 558842253 /nfs/dbraw/zinc/84/22/53/558842253.db2.gz JVSUUHVRJYNAJL-INIZCTEOSA-N 1 2 420.435 4.411 40 0 HIABLO COc1cccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1OC ZINC000019116917 558842255 /nfs/dbraw/zinc/84/22/55/558842255.db2.gz JVSUUHVRJYNAJL-INIZCTEOSA-N 1 2 420.435 4.411 40 0 HIABLO Cc1ccc2oc(C(=O)N3CC[N@@H+](Cc4ccccc4F)C[C@@H]3C(C)C)cc(=O)c2c1 ZINC000019220031 558851474 /nfs/dbraw/zinc/85/14/74/558851474.db2.gz GEGXMKUZWHXKRT-OAQYLSRUSA-N 1 2 422.500 4.223 40 0 HIABLO Cc1ccc2oc(C(=O)N3CC[N@H+](Cc4ccccc4F)C[C@@H]3C(C)C)cc(=O)c2c1 ZINC000019220031 558851475 /nfs/dbraw/zinc/85/14/75/558851475.db2.gz GEGXMKUZWHXKRT-OAQYLSRUSA-N 1 2 422.500 4.223 40 0 HIABLO Fc1ccc(Nc2nc(-c3cccnc3)nc3c2C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000019339417 558871195 /nfs/dbraw/zinc/87/11/95/558871195.db2.gz OFNWTLBVFKEYMB-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1ccc(Nc2nc(-c3cccnc3)nc3c2C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000019339417 558871199 /nfs/dbraw/zinc/87/11/99/558871199.db2.gz OFNWTLBVFKEYMB-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO O[C@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019349173 558874819 /nfs/dbraw/zinc/87/48/19/558874819.db2.gz SNLVKLYDPKEMJB-QHCPKHFHSA-N 1 2 411.908 4.278 40 0 HIABLO O[C@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019401087 558883591 /nfs/dbraw/zinc/88/35/91/558883591.db2.gz HMNGWYFYEKKJGQ-QHCPKHFHSA-N 1 2 411.908 4.278 40 0 HIABLO CCn1nc(C)c(NC(=O)C[NH+]2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)c1C ZINC000019523854 558905111 /nfs/dbraw/zinc/90/51/11/558905111.db2.gz IMYZOUYKUMGELA-UHFFFAOYSA-N 1 2 414.937 4.052 40 0 HIABLO COc1ccc(-c2csc(NC(=O)c3ccccc3Cn3cc[nH+]c3)n2)cc1OC ZINC000019561584 558922165 /nfs/dbraw/zinc/92/21/65/558922165.db2.gz MIQGAPDLMUFZBA-UHFFFAOYSA-N 1 2 420.494 4.324 40 0 HIABLO Cc1[nH]c2ccc(CCC(=O)NCC3(c4cc(C)cc(C)c4)CCOCC3)cc2[nH+]1 ZINC000019569540 558928502 /nfs/dbraw/zinc/92/85/02/558928502.db2.gz HVCFXGGADTYDJR-UHFFFAOYSA-N 1 2 405.542 4.285 40 0 HIABLO Cc1[nH]c2cc(CCC(=O)NCC3(c4cc(C)cc(C)c4)CCOCC3)ccc2[nH+]1 ZINC000019569540 558928506 /nfs/dbraw/zinc/92/85/06/558928506.db2.gz HVCFXGGADTYDJR-UHFFFAOYSA-N 1 2 405.542 4.285 40 0 HIABLO COc1cccc(CCCNC(=O)c2sc3ccccc3c2[C@H]2C[N@H+](C)CCO2)c1 ZINC000072352671 558949218 /nfs/dbraw/zinc/94/92/18/558949218.db2.gz WBZVTWUTHDPQDK-HXUWFJFHSA-N 1 2 424.566 4.276 40 0 HIABLO COc1cccc(CCCNC(=O)c2sc3ccccc3c2[C@H]2C[N@@H+](C)CCO2)c1 ZINC000072352671 558949220 /nfs/dbraw/zinc/94/92/20/558949220.db2.gz WBZVTWUTHDPQDK-HXUWFJFHSA-N 1 2 424.566 4.276 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1ccc(F)cc1 ZINC000072353008 558949419 /nfs/dbraw/zinc/94/94/19/558949419.db2.gz UTBKJDHDQZBJJE-HXUWFJFHSA-N 1 2 409.440 4.274 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1)Nc1ccc(F)cc1 ZINC000072353008 558949420 /nfs/dbraw/zinc/94/94/20/558949420.db2.gz UTBKJDHDQZBJJE-HXUWFJFHSA-N 1 2 409.440 4.274 40 0 HIABLO COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC000072353221 558949972 /nfs/dbraw/zinc/94/99/72/558949972.db2.gz FXRWABSYYICNTG-LJQANCHMSA-N 1 2 424.526 4.063 40 0 HIABLO Cc1cccc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375155 558963571 /nfs/dbraw/zinc/96/35/71/558963571.db2.gz PRMNSIBZLUDVTD-FQEVSTJZSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccc(Nc2cccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375155 558963575 /nfs/dbraw/zinc/96/35/75/558963575.db2.gz PRMNSIBZLUDVTD-FQEVSTJZSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375159 558963600 /nfs/dbraw/zinc/96/36/00/558963600.db2.gz KPOWBCFICZMCJW-FQEVSTJZSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375159 558963602 /nfs/dbraw/zinc/96/36/02/558963602.db2.gz KPOWBCFICZMCJW-FQEVSTJZSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cnc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)s1 ZINC000072375173 558963624 /nfs/dbraw/zinc/96/36/24/558963624.db2.gz AUMBQVSOTLLKEV-KRWDZBQOSA-N 1 2 408.531 4.069 40 0 HIABLO Cc1cnc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)s1 ZINC000072375173 558963626 /nfs/dbraw/zinc/96/36/26/558963626.db2.gz AUMBQVSOTLLKEV-KRWDZBQOSA-N 1 2 408.531 4.069 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379035 558967880 /nfs/dbraw/zinc/96/78/80/558967880.db2.gz NKXWXOYHXIPAFL-GOSISDBHSA-N 1 2 422.504 4.315 40 0 HIABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1 ZINC000072378932 558967907 /nfs/dbraw/zinc/96/79/07/558967907.db2.gz YUSVNYUEGJIFGR-FQEVSTJZSA-N 1 2 418.541 4.177 40 0 HIABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCC1(c2cccc(F)c2)CCOCC1 ZINC000019718474 558981824 /nfs/dbraw/zinc/98/18/24/558981824.db2.gz AKQYYLWUWOZTBH-KRWDZBQOSA-N 1 2 409.505 4.163 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1cc(F)cc(F)c1)N(Cc1ccccc1)CC2 ZINC000096037516 559091228 /nfs/dbraw/zinc/09/12/28/559091228.db2.gz AEOOAOOEDNQRNY-HSZRJFAPSA-N 1 2 424.495 4.158 40 0 HIABLO Cc1nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)sc1C ZINC000585290588 559123325 /nfs/dbraw/zinc/12/33/25/559123325.db2.gz CYAJTAMSESNTKB-OZSKJFCKSA-N 1 2 423.546 4.092 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000889889 560542086 /nfs/dbraw/zinc/54/20/86/560542086.db2.gz COIOXBDYERPYSJ-JOCHJYFZSA-N 1 2 420.561 4.068 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000909140 560545870 /nfs/dbraw/zinc/54/58/70/560545870.db2.gz VIMVNRULSAXWQQ-OAQYLSRUSA-N 1 2 422.577 4.098 40 0 HIABLO Cc1cc(C)c2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927328 560557023 /nfs/dbraw/zinc/55/70/23/560557023.db2.gz PMXJKUINEPZHHJ-UHFFFAOYSA-N 1 2 420.561 4.191 40 0 HIABLO Cc1cc(C)c2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927328 560557025 /nfs/dbraw/zinc/55/70/25/560557025.db2.gz PMXJKUINEPZHHJ-UHFFFAOYSA-N 1 2 420.561 4.191 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160222 560601263 /nfs/dbraw/zinc/60/12/63/560601263.db2.gz DVTFBWPRDWYDPJ-HTAPYJJXSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160222 560601264 /nfs/dbraw/zinc/60/12/64/560601264.db2.gz DVTFBWPRDWYDPJ-HTAPYJJXSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](c2nnnn2C(C)(C)C)c2ccccc2)CC1 ZINC000020139212 560881026 /nfs/dbraw/zinc/88/10/26/560881026.db2.gz UCUPTEDEDXWNBE-NRFANRHFSA-N 1 2 424.980 4.302 40 0 HIABLO Cc1ccc([C@@H](C)[NH+]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1C ZINC000026417032 568547777 /nfs/dbraw/zinc/54/77/77/568547777.db2.gz WDURBHVIXZMZRK-GOSISDBHSA-N 1 2 406.979 4.333 40 0 HIABLO COc1cc2c(cc1S(=O)(=O)Nc1ccc([NH+]3CCCCC3)cc1)CCCC2 ZINC000224979643 568607295 /nfs/dbraw/zinc/60/72/95/568607295.db2.gz KWNTXSRACRFBPI-UHFFFAOYSA-N 1 2 400.544 4.365 40 0 HIABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC ZINC000095534323 568635226 /nfs/dbraw/zinc/63/52/26/568635226.db2.gz WLMSOXKZWJJLSL-OAQYLSRUSA-N 1 2 410.518 4.137 40 0 HIABLO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC000225512699 568645288 /nfs/dbraw/zinc/64/52/88/568645288.db2.gz QLBJMCHERSWAOI-UHFFFAOYSA-N 1 2 408.542 4.157 40 0 HIABLO Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H](c4cc[nH+]c(N(C)C)c4)C3)CCOCC2)c1 ZINC000257207884 568778263 /nfs/dbraw/zinc/77/82/63/568778263.db2.gz BJTYVUNVIIMEFJ-JOCHJYFZSA-N 1 2 421.585 4.219 40 0 HIABLO Cc1cc(Nc2nncs2)cc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257221605 568782487 /nfs/dbraw/zinc/78/24/87/568782487.db2.gz DPVGFYFSQJBUQH-NRFANRHFSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1cc(Nc2nncs2)cc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257221605 568782490 /nfs/dbraw/zinc/78/24/90/568782490.db2.gz DPVGFYFSQJBUQH-NRFANRHFSA-N 1 2 418.526 4.107 40 0 HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257285672 568800132 /nfs/dbraw/zinc/80/01/32/568800132.db2.gz PIFBUZONECSJBR-HXUWFJFHSA-N 1 2 414.509 4.330 40 0 HIABLO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257327089 568812433 /nfs/dbraw/zinc/81/24/33/568812433.db2.gz WZWOBLBFBWQXMB-NRFANRHFSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1nc2cc(C)ccn2c1C[N@H+]1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257327089 568812435 /nfs/dbraw/zinc/81/24/35/568812435.db2.gz WZWOBLBFBWQXMB-NRFANRHFSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1[nH+]c2cc(C)ccn2c1CN1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257327089 568812437 /nfs/dbraw/zinc/81/24/37/568812437.db2.gz WZWOBLBFBWQXMB-NRFANRHFSA-N 1 2 414.513 4.058 40 0 HIABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(c3nnc(C)c4ccccc43)CCO2)nc1 ZINC000257331924 568813563 /nfs/dbraw/zinc/81/35/63/568813563.db2.gz XUXBDSMEZZHUBA-JOCHJYFZSA-N 1 2 412.497 4.358 40 0 HIABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CC3)n2)c1 ZINC000328968105 568970440 /nfs/dbraw/zinc/97/04/40/568970440.db2.gz CYDSFGBQOOAXEL-UHFFFAOYSA-N 1 2 414.431 4.381 40 0 HIABLO CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329026988 568973554 /nfs/dbraw/zinc/97/35/54/568973554.db2.gz PPYCQLZWLYUGPT-UHFFFAOYSA-N 1 2 401.230 4.155 40 0 HIABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000329071405 568975871 /nfs/dbraw/zinc/97/58/71/568975871.db2.gz ZPCIQOSVDUZMKC-FQEVSTJZSA-N 1 2 406.486 4.103 40 0 HIABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)cc1 ZINC000261366202 569413876 /nfs/dbraw/zinc/41/38/76/569413876.db2.gz XYFVSFKDGLABQT-FQEVSTJZSA-O 1 2 409.535 4.487 40 0 HIABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741174 558261832 /nfs/dbraw/zinc/26/18/32/558261832.db2.gz WWVLSIVFSGCSKG-NRFANRHFSA-N 1 2 408.521 4.341 40 0 HIABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc2c1CCC(=O)N2CC1CC1 ZINC000019741174 558261834 /nfs/dbraw/zinc/26/18/34/558261834.db2.gz WWVLSIVFSGCSKG-NRFANRHFSA-N 1 2 408.521 4.341 40 0 HIABLO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 ZINC000012115968 558328126 /nfs/dbraw/zinc/32/81/26/558328126.db2.gz SAPMWPJCHQPHGC-UHFFFAOYSA-N 1 2 419.529 4.070 40 0 HIABLO COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022468691 558491048 /nfs/dbraw/zinc/49/10/48/558491048.db2.gz SGWBZYJDUDCCIP-QPJJXVBHSA-N 1 2 421.324 4.486 40 0 HIABLO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000030523432 558731573 /nfs/dbraw/zinc/73/15/73/558731573.db2.gz JTURZBPOJSIDCK-UHFFFAOYSA-N 1 2 407.341 4.075 40 0 HIABLO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C[N@@H+]1C ZINC000015971770 558764634 /nfs/dbraw/zinc/76/46/34/558764634.db2.gz PIOSTILJFAGANT-SEIBCYHCSA-N 1 2 412.489 4.071 40 0 HIABLO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C[N@H+]1C ZINC000015971770 558764637 /nfs/dbraw/zinc/76/46/37/558764637.db2.gz PIOSTILJFAGANT-SEIBCYHCSA-N 1 2 412.489 4.071 40 0 HIABLO Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)n1 ZINC000019221541 558851974 /nfs/dbraw/zinc/85/19/74/558851974.db2.gz KTHQTSCOZCRTOQ-MRXNPFEDSA-N 1 2 416.529 4.140 40 0 HIABLO Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)n1 ZINC000019221541 558851975 /nfs/dbraw/zinc/85/19/75/558851975.db2.gz KTHQTSCOZCRTOQ-MRXNPFEDSA-N 1 2 416.529 4.140 40 0 HIABLO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[N@H+](Cc2ccncc2)CC3)c1 ZINC000019293982 558865429 /nfs/dbraw/zinc/86/54/29/558865429.db2.gz HTFOULVWDOTKOA-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[N@@H+](Cc2ccncc2)CC3)c1 ZINC000019293982 558865430 /nfs/dbraw/zinc/86/54/30/558865430.db2.gz HTFOULVWDOTKOA-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@H+](Cc2cccnc2)CC3)c1 ZINC000019294023 558865701 /nfs/dbraw/zinc/86/57/01/558865701.db2.gz LJZMQGLQHQGXQE-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000019294023 558865703 /nfs/dbraw/zinc/86/57/03/558865703.db2.gz LJZMQGLQHQGXQE-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2nccn2CC)C1 ZINC000019529195 558911085 /nfs/dbraw/zinc/91/10/85/558911085.db2.gz QKXTWWCPWSCWAX-SANMLTNESA-N 1 2 416.569 4.141 40 0 HIABLO CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](Cc2nccn2CC)C1 ZINC000019529195 558911088 /nfs/dbraw/zinc/91/10/88/558911088.db2.gz QKXTWWCPWSCWAX-SANMLTNESA-N 1 2 416.569 4.141 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348909 558945705 /nfs/dbraw/zinc/94/57/05/558945705.db2.gz RTDUHXNXLVWDAH-QGZVFWFLSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1nccs1 ZINC000072348909 558945707 /nfs/dbraw/zinc/94/57/07/558945707.db2.gz RTDUHXNXLVWDAH-QGZVFWFLSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348903 558945724 /nfs/dbraw/zinc/94/57/24/558945724.db2.gz WNEROISXZCXDJP-QGZVFWFLSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1nccs1 ZINC000072348903 558945726 /nfs/dbraw/zinc/94/57/26/558945726.db2.gz WNEROISXZCXDJP-QGZVFWFLSA-N 1 2 410.518 4.086 40 0 HIABLO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1 ZINC000072349546 558946324 /nfs/dbraw/zinc/94/63/24/558946324.db2.gz PQHBSUGTBYJVEH-IBGZPJMESA-N 1 2 404.489 4.025 40 0 HIABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1 ZINC000072349546 558946326 /nfs/dbraw/zinc/94/63/26/558946326.db2.gz PQHBSUGTBYJVEH-IBGZPJMESA-N 1 2 404.489 4.025 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)nc2)n1 ZINC000072353021 558949641 /nfs/dbraw/zinc/94/96/41/558949641.db2.gz ASODPRUTUHIDOT-OAQYLSRUSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)nc2)n1 ZINC000072353021 558949644 /nfs/dbraw/zinc/94/96/44/558949644.db2.gz ASODPRUTUHIDOT-OAQYLSRUSA-N 1 2 420.492 4.147 40 0 HIABLO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)cc1 ZINC000072353034 558949732 /nfs/dbraw/zinc/94/97/32/558949732.db2.gz IEYAJUGFGNLSKX-NRFANRHFSA-N 1 2 424.526 4.063 40 0 HIABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccccc3C)cc(C)[nH+]2)C1 ZINC000072353890 558951054 /nfs/dbraw/zinc/95/10/54/558951054.db2.gz PMSIRKNFHZTIFQ-QFIPXVFZSA-N 1 2 415.603 4.055 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370218 558956398 /nfs/dbraw/zinc/95/63/98/558956398.db2.gz DUUCRYUUORZOQR-GOSISDBHSA-N 1 2 403.507 4.122 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370218 558956399 /nfs/dbraw/zinc/95/63/99/558956399.db2.gz DUUCRYUUORZOQR-GOSISDBHSA-N 1 2 403.507 4.122 40 0 HIABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 ZINC000072375144 558963687 /nfs/dbraw/zinc/96/36/87/558963687.db2.gz SVWNJTYPUGDAIJ-OAQYLSRUSA-N 1 2 417.513 4.313 40 0 HIABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 ZINC000072375144 558963688 /nfs/dbraw/zinc/96/36/88/558963688.db2.gz SVWNJTYPUGDAIJ-OAQYLSRUSA-N 1 2 417.513 4.313 40 0 HIABLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000019711151 558973406 /nfs/dbraw/zinc/97/34/06/558973406.db2.gz QWWOJODSCWRSJK-QFIPXVFZSA-N 1 2 421.520 4.013 40 0 HIABLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000019711151 558973408 /nfs/dbraw/zinc/97/34/08/558973408.db2.gz QWWOJODSCWRSJK-QFIPXVFZSA-N 1 2 421.520 4.013 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1ccncc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925540 560618772 /nfs/dbraw/zinc/61/87/72/560618772.db2.gz UEQGZQMAJYVFRO-JOCHJYFZSA-N 1 2 404.562 4.257 40 0 HIABLO c1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020121588 560880739 /nfs/dbraw/zinc/88/07/39/560880739.db2.gz DJROJDGOOLERST-QHCPKHFHSA-N 1 2 402.546 4.090 40 0 HIABLO Cc1ccc(C)c(N2CC[NH+]([C@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)c1 ZINC000057671599 568495258 /nfs/dbraw/zinc/49/52/58/568495258.db2.gz PWTXQUFIUUUVMI-JOCHJYFZSA-N 1 2 424.618 4.309 40 0 HIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(I)cc3)CC2)cc1 ZINC000219850094 568499097 /nfs/dbraw/zinc/49/90/97/568499097.db2.gz XNBRTMXWRFGAOD-UHFFFAOYSA-N 1 2 420.294 4.455 40 0 HIABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257202538 568776672 /nfs/dbraw/zinc/77/66/72/568776672.db2.gz AMGVKDAYGNGRLP-HSZRJFAPSA-N 1 2 422.960 4.360 40 0 HIABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257202538 568776674 /nfs/dbraw/zinc/77/66/74/568776674.db2.gz AMGVKDAYGNGRLP-HSZRJFAPSA-N 1 2 422.960 4.360 40 0 HIABLO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ncc(Cc3ccc(F)cc3)s1)CC2 ZINC000257205126 568777777 /nfs/dbraw/zinc/77/77/77/568777777.db2.gz AXTYHHBSUAWCDM-UHFFFAOYSA-N 1 2 417.550 4.093 40 0 HIABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257271126 568795969 /nfs/dbraw/zinc/79/59/69/568795969.db2.gz MWZLMQLSFJSGDJ-JOCHJYFZSA-N 1 2 418.472 4.426 40 0 HIABLO COc1ccccc1/C=C/C[N@@H+]1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257281597 568798885 /nfs/dbraw/zinc/79/88/85/568798885.db2.gz OQBAAGIAXXKXAM-FIYNHDKVSA-N 1 2 420.488 4.455 40 0 HIABLO COc1ccccc1/C=C/C[N@H+]1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257281597 568798886 /nfs/dbraw/zinc/79/88/86/568798886.db2.gz OQBAAGIAXXKXAM-FIYNHDKVSA-N 1 2 420.488 4.455 40 0 HIABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)nc1 ZINC000257308762 568807090 /nfs/dbraw/zinc/80/70/90/568807090.db2.gz TXZLCLUMPWMHCJ-NRFANRHFSA-N 1 2 404.518 4.016 40 0 HIABLO Cc1nc(N)cc(C2(C)CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)[nH+]1 ZINC000257308967 568807158 /nfs/dbraw/zinc/80/71/58/568807158.db2.gz TYYGGDQXGOQDCC-UHFFFAOYSA-N 1 2 401.514 4.305 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)s1 ZINC000257343017 568816934 /nfs/dbraw/zinc/81/69/34/568816934.db2.gz ZRBVLBHNAXLVQR-KRWDZBQOSA-N 1 2 401.561 4.237 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)s1 ZINC000257343017 568816936 /nfs/dbraw/zinc/81/69/36/568816936.db2.gz ZRBVLBHNAXLVQR-KRWDZBQOSA-N 1 2 401.561 4.237 40 0 HIABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccs5)CCO4)nnn3c2)cc1 ZINC000306134987 568896921 /nfs/dbraw/zinc/89/69/21/568896921.db2.gz ODXDCURLTVHQFI-NRFANRHFSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccs5)CCO4)nnn3c2)cc1 ZINC000306134987 568896924 /nfs/dbraw/zinc/89/69/24/568896924.db2.gz ODXDCURLTVHQFI-NRFANRHFSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(-c2cn3c4c(n(C(C)C)c3[nH+]2)CCN(C(=O)c2ccco2)C4)cc1 ZINC000306137954 568899848 /nfs/dbraw/zinc/89/98/48/568899848.db2.gz RKWMDZAWUUHQKT-UHFFFAOYSA-N 1 2 404.470 4.184 40 0 HIABLO O=C(c1cn(CC[NH+]2CCOCC2)c2cccc(O)c12)c1cccc2ccccc21 ZINC000064859574 569390491 /nfs/dbraw/zinc/39/04/91/569390491.db2.gz BZFDQRQHYLPNHW-UHFFFAOYSA-N 1 2 400.478 4.063 40 0 in-vitro HIABLO C[C@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)CC[C@@H]1O ZINC000012221189 132357033 /nfs/dbraw/zinc/35/70/33/132357033.db2.gz FPIOQGZFJSUVQJ-ZBEGNZNMSA-N 1 2 404.301 4.048 40 0 HIABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019116844 558842134 /nfs/dbraw/zinc/84/21/34/558842134.db2.gz AAZSVDJCHHPSAG-HNNXBMFYSA-N 1 2 406.456 4.414 40 0 HIABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019116844 558842135 /nfs/dbraw/zinc/84/21/35/558842135.db2.gz AAZSVDJCHHPSAG-HNNXBMFYSA-N 1 2 406.456 4.414 40 0 HIABLO Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)c1C ZINC000057671589 558889782 /nfs/dbraw/zinc/88/97/82/558889782.db2.gz UQVZGKKTCVPETK-QFIPXVFZSA-N 1 2 424.618 4.309 40 0 HIABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1 ZINC000057688526 558890057 /nfs/dbraw/zinc/89/00/57/558890057.db2.gz UBRIGAINMPNVJP-UHFFFAOYSA-N 1 2 424.545 4.327 40 0 HIABLO COc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019550791 558915410 /nfs/dbraw/zinc/91/54/10/558915410.db2.gz XLCORBKFCKNTTR-DENIHFKCSA-N 1 2 412.436 4.362 40 0 HIABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)[nH+]1 ZINC000019570324 558929230 /nfs/dbraw/zinc/92/92/30/558929230.db2.gz GEXQEWAVZFLREE-GOSISDBHSA-N 1 2 419.529 4.002 40 0 HIABLO O[C@@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072340709 558939336 /nfs/dbraw/zinc/93/93/36/558939336.db2.gz DAKNTEOJRXMOAS-HSZRJFAPSA-N 1 2 411.908 4.278 40 0 HIABLO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@@H+]2CCOc2ccc(F)cc2)nc1C ZINC000072345524 558942098 /nfs/dbraw/zinc/94/20/98/558942098.db2.gz QGELWGXTEUKRKS-OAQYLSRUSA-N 1 2 414.525 4.012 40 0 HIABLO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)nc1C ZINC000072345524 558942101 /nfs/dbraw/zinc/94/21/01/558942101.db2.gz QGELWGXTEUKRKS-OAQYLSRUSA-N 1 2 414.525 4.012 40 0 HIABLO Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)nc2)[nH+]1 ZINC000072353245 558950208 /nfs/dbraw/zinc/95/02/08/558950208.db2.gz LNXAXGLUGUENHS-LJQANCHMSA-N 1 2 420.517 4.331 40 0 HIABLO CCn1nc([C@@H](C)C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c2ccccc2c1=O ZINC000019660596 558951700 /nfs/dbraw/zinc/95/17/00/558951700.db2.gz LYOWIBIKWIKIJW-CQSZACIVSA-N 1 2 417.513 4.332 40 0 HIABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000072375158 558963552 /nfs/dbraw/zinc/96/35/52/558963552.db2.gz YDEZHOGYSKMMQR-HXUWFJFHSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000072375158 558963555 /nfs/dbraw/zinc/96/35/55/558963555.db2.gz YDEZHOGYSKMMQR-HXUWFJFHSA-N 1 2 405.477 4.443 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072379166 558967832 /nfs/dbraw/zinc/96/78/32/558967832.db2.gz QVIRBKJNWWLHAH-IBGZPJMESA-N 1 2 414.506 4.056 40 0 HIABLO COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378839 558967856 /nfs/dbraw/zinc/96/78/56/558967856.db2.gz WLXHQPAGUOIKDZ-NRFANRHFSA-N 1 2 404.514 4.306 40 0 HIABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)c4cnc5c(C)cccn5c4=O)cc3)[nH+]c2c1 ZINC000019714694 558974766 /nfs/dbraw/zinc/97/47/66/558974766.db2.gz QRJOOVYCEKPEQT-UHFFFAOYSA-N 1 2 423.476 4.031 40 0 HIABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1ccc(F)c(F)c1)N(Cc1ccccc1)CC2 ZINC000096037481 559091144 /nfs/dbraw/zinc/09/11/44/559091144.db2.gz UUDNKCWGLNYTKD-QHCPKHFHSA-N 1 2 424.495 4.158 40 0 HIABLO Cc1nc(Nc2cc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)sc1C ZINC000585292216 559124715 /nfs/dbraw/zinc/12/47/15/559124715.db2.gz YKYJLESKFOGFSH-DVBCCOPCSA-N 1 2 423.546 4.092 40 0 HIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000910513 560546242 /nfs/dbraw/zinc/54/62/42/560546242.db2.gz XWNJJGJLHIQVNR-JOCHJYFZSA-N 1 2 420.561 4.212 40 0 HIABLO CCOc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000001346312 560576372 /nfs/dbraw/zinc/57/63/72/560576372.db2.gz RQSZZDLSKWVSET-UHFFFAOYSA-N 1 2 419.510 4.253 40 0 HIABLO CC(C)OCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1Br)OCO2 ZINC000013989552 560831488 /nfs/dbraw/zinc/83/14/88/560831488.db2.gz SLASXAOKPPMBPE-UHFFFAOYSA-N 1 2 421.335 4.390 40 0 HIABLO CC(C)OCCC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1Br)OCO2 ZINC000013989552 560831489 /nfs/dbraw/zinc/83/14/89/560831489.db2.gz SLASXAOKPPMBPE-UHFFFAOYSA-N 1 2 421.335 4.390 40 0 HIABLO CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000020356107 560883506 /nfs/dbraw/zinc/88/35/06/560883506.db2.gz OQVNBUPLXYTZKL-UHFFFAOYSA-N 1 2 400.544 4.468 40 0 HIABLO CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000020356107 560883507 /nfs/dbraw/zinc/88/35/07/560883507.db2.gz OQVNBUPLXYTZKL-UHFFFAOYSA-N 1 2 400.544 4.468 40 0 HIABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000057614028 568493998 /nfs/dbraw/zinc/49/39/98/568493998.db2.gz HQKKAZXOKMGREW-OAQYLSRUSA-N 1 2 413.953 4.372 40 0 HIABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000057614028 568493999 /nfs/dbraw/zinc/49/39/99/568493999.db2.gz HQKKAZXOKMGREW-OAQYLSRUSA-N 1 2 413.953 4.372 40 0 HIABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COC(C)C ZINC000224722526 568593558 /nfs/dbraw/zinc/59/35/58/568593558.db2.gz CDVGIWMHIMGYDM-DHZHZOJOSA-N 1 2 422.569 4.482 40 0 HIABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1OCC ZINC000095534574 568635898 /nfs/dbraw/zinc/63/58/98/568635898.db2.gz MVHQSSZRRMJNNZ-KRWDZBQOSA-N 1 2 406.408 4.336 40 0 HIABLO CCOC(=O)c1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000225454702 568639496 /nfs/dbraw/zinc/63/94/96/568639496.db2.gz OMIWAQLZGBXTGT-UHFFFAOYSA-N 1 2 414.918 4.189 40 0 HIABLO Cc1ccc(Nc2cccc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)n2)nc1 ZINC000257202769 568776881 /nfs/dbraw/zinc/77/68/81/568776881.db2.gz ANIOKGFRJNLIIV-UHFFFAOYSA-N 1 2 419.504 4.486 40 0 HIABLO Cc1cc(C)cc(C2(C(=O)N3CCC[C@H](c4cc[nH+]c(N(C)C)c4)C3)CCOCC2)c1 ZINC000257207885 568778295 /nfs/dbraw/zinc/77/82/95/568778295.db2.gz BJTYVUNVIIMEFJ-QFIPXVFZSA-N 1 2 421.585 4.219 40 0 HIABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257216497 568780804 /nfs/dbraw/zinc/78/08/04/568780804.db2.gz CUSWJVMJBVFBIJ-IBGZPJMESA-N 1 2 415.493 4.009 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257242304 568788109 /nfs/dbraw/zinc/78/81/09/568788109.db2.gz IBWAEDLITPPTAS-OAQYLSRUSA-N 1 2 418.476 4.118 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000257242304 568788111 /nfs/dbraw/zinc/78/81/11/568788111.db2.gz IBWAEDLITPPTAS-OAQYLSRUSA-N 1 2 418.476 4.118 40 0 HIABLO O=C(C[NH+]1CCC(c2ccnc(Nc3ccc(F)cn3)c2)CC1)Nc1ccccc1F ZINC000257246374 568789264 /nfs/dbraw/zinc/78/92/64/568789264.db2.gz ITVIFJMUPGGZRH-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)n[nH]1 ZINC000257318431 568809883 /nfs/dbraw/zinc/80/98/83/568809883.db2.gz VNWLYFDSZPOGMW-DEOSSOPVSA-N 1 2 409.505 4.176 40 0 HIABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)n[nH]1 ZINC000257318431 568809885 /nfs/dbraw/zinc/80/98/85/568809885.db2.gz VNWLYFDSZPOGMW-DEOSSOPVSA-N 1 2 409.505 4.176 40 0 HIABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000257341286 568816412 /nfs/dbraw/zinc/81/64/12/568816412.db2.gz ZJROLTRUKRGLGD-QHCPKHFHSA-N 1 2 410.949 4.250 40 0 HIABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000257341286 568816414 /nfs/dbraw/zinc/81/64/14/568816414.db2.gz ZJROLTRUKRGLGD-QHCPKHFHSA-N 1 2 410.949 4.250 40 0 HIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C)ccc1C ZINC000261362106 568819263 /nfs/dbraw/zinc/81/92/63/568819263.db2.gz CCWXNGVKCVFTCI-QFIPXVFZSA-O 1 2 421.546 4.169 40 0 HIABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccc(F)cc5)CCO4)nnn3c2)cc1 ZINC000306125507 568888401 /nfs/dbraw/zinc/88/84/01/568888401.db2.gz CSTUCJMVZWWVHD-HSZRJFAPSA-N 1 2 418.472 4.118 40 0 HIABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccc(F)cc5)CCO4)nnn3c2)cc1 ZINC000306125507 568888403 /nfs/dbraw/zinc/88/84/03/568888403.db2.gz CSTUCJMVZWWVHD-HSZRJFAPSA-N 1 2 418.472 4.118 40 0 HIABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccs5)CCO4)nnn3c2)cc1 ZINC000306134988 568896897 /nfs/dbraw/zinc/89/68/97/568896897.db2.gz ODXDCURLTVHQFI-OAQYLSRUSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccs5)CCO4)nnn3c2)cc1 ZINC000306134988 568896899 /nfs/dbraw/zinc/89/68/99/568896899.db2.gz ODXDCURLTVHQFI-OAQYLSRUSA-N 1 2 406.511 4.040 40 0 HIABLO CC(C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329008135 568972319 /nfs/dbraw/zinc/97/23/19/568972319.db2.gz LPYGZMBDOIGKFR-UHFFFAOYSA-N 1 2 401.283 4.453 40 0 HIABLO CC[C@H](C)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329046632 568974483 /nfs/dbraw/zinc/97/44/83/568974483.db2.gz UCMBLGKNLJWHNV-AWEZNQCLSA-N 1 2 417.435 4.104 40 0 HIABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000329071406 568975810 /nfs/dbraw/zinc/97/58/10/568975810.db2.gz ZPCIQOSVDUZMKC-HXUWFJFHSA-N 1 2 406.486 4.103 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1cccnc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004925483 569051813 /nfs/dbraw/zinc/05/18/13/569051813.db2.gz WFJQERALKFVBNW-JOCHJYFZSA-N 1 2 404.562 4.257 40 0 HIABLO O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019402053 569345429 /nfs/dbraw/zinc/34/54/29/569345429.db2.gz GNWXUNFMLJGDBH-SIKLNZKXSA-N 1 2 406.917 4.252 40 0 HIABLO COc1cccc(-c2nccnc2[C@@H]2C[N@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000019693310 569346393 /nfs/dbraw/zinc/34/63/93/569346393.db2.gz YCEIFVZXBQXCCT-QFIPXVFZSA-N 1 2 405.498 4.043 40 0 HIABLO COc1cccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3ccc(C)cc3OC)CCO2)c1 ZINC000019693310 569346394 /nfs/dbraw/zinc/34/63/94/569346394.db2.gz YCEIFVZXBQXCCT-QFIPXVFZSA-N 1 2 405.498 4.043 40 0 HIABLO COc1ccc(-c2nccnc2[C@H]2C[N@H+](Cc3ccc(C)cc3OC)CCO2)cc1 ZINC000019693281 569428369 /nfs/dbraw/zinc/42/83/69/569428369.db2.gz ZDWKTUQQYFRXAM-JOCHJYFZSA-N 1 2 405.498 4.043 40 0 HIABLO COc1ccc(-c2nccnc2[C@H]2C[N@@H+](Cc3ccc(C)cc3OC)CCO2)cc1 ZINC000019693281 569428370 /nfs/dbraw/zinc/42/83/70/569428370.db2.gz ZDWKTUQQYFRXAM-JOCHJYFZSA-N 1 2 405.498 4.043 40 0 HIABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329039095 571305580 /nfs/dbraw/zinc/30/55/80/571305580.db2.gz RUZAMDGCCSTWMA-QGZVFWFLSA-N 1 2 405.340 4.597 40 0 HIABLO CC[C@@H](C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329051412 571309212 /nfs/dbraw/zinc/30/92/12/571309212.db2.gz UWPIACDKUQKJRO-GOSISDBHSA-N 1 2 403.530 4.934 40 0 HIABLO CN(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[NH+]1CCOCC1 ZINC000001671679 557279813 /nfs/dbraw/zinc/27/98/13/557279813.db2.gz MBXTWMZKOQXZBP-RPBOFIJWSA-N 1 2 400.522 4.448 40 0 HIABLO CCCn1c(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)nc2ccccc21 ZINC000012116978 558328779 /nfs/dbraw/zinc/32/87/79/558328779.db2.gz ZVKPVKKTGYROIO-UHFFFAOYSA-N 1 2 408.521 4.213 40 0 HIABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1OC ZINC000019116914 558842245 /nfs/dbraw/zinc/84/22/45/558842245.db2.gz JVSUUHVRJYNAJL-MRXNPFEDSA-N 1 2 420.435 4.411 40 0 HIABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c1OC ZINC000019116914 558842247 /nfs/dbraw/zinc/84/22/47/558842247.db2.gz JVSUUHVRJYNAJL-MRXNPFEDSA-N 1 2 420.435 4.411 40 0 HIABLO COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Cn2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286712 558860589 /nfs/dbraw/zinc/86/05/89/558860589.db2.gz DKTZTNFLCYOKSA-HRAATJIYSA-N 1 2 407.514 4.362 40 0 HIABLO COc1cc([C@H]2NC(c3ccccc3)(c3ccccc3)CC[NH2+]2)cc(OC)c1OC ZINC000019319301 558867321 /nfs/dbraw/zinc/86/73/21/558867321.db2.gz SWDLERLJLTVXCN-XMMPIXPASA-N 1 2 404.510 4.238 40 0 HIABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCC[N@@H+]3Cc3cnn(C)c3)cc2N1 ZINC000019451232 558889313 /nfs/dbraw/zinc/88/93/13/558889313.db2.gz VVLDFDDGGUFRDX-RYQLBKOJSA-N 1 2 410.488 4.287 40 0 HIABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCC[N@H+]3Cc3cnn(C)c3)cc2N1 ZINC000019451232 558889315 /nfs/dbraw/zinc/88/93/15/558889315.db2.gz VVLDFDDGGUFRDX-RYQLBKOJSA-N 1 2 410.488 4.287 40 0 HIABLO COc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)c3c[nH]c4ccc(C)cc43)CC1)O2 ZINC000057823370 558891199 /nfs/dbraw/zinc/89/11/99/558891199.db2.gz NWNZNTJWUQCQGK-UHFFFAOYSA-N 1 2 418.493 4.168 40 0 HIABLO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)c1 ZINC000019565153 558925304 /nfs/dbraw/zinc/92/53/04/558925304.db2.gz YJDLICKAOUJXQD-SFHVURJKSA-N 1 2 421.497 4.324 40 0 HIABLO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)Nc4ccccc4OC)on3)C2)c1 ZINC000019565153 558925307 /nfs/dbraw/zinc/92/53/07/558925307.db2.gz YJDLICKAOUJXQD-SFHVURJKSA-N 1 2 421.497 4.324 40 0 HIABLO COc1cccc([C@H]2[NH2+][C@@H](c3cccnc3OC)Cc3cc(OC)c(OC)cc32)c1 ZINC000019566259 558926096 /nfs/dbraw/zinc/92/60/96/558926096.db2.gz MKIKLXGTPFJGDS-NFBKMPQASA-N 1 2 406.482 4.092 40 0 HIABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1CO ZINC000019574863 558932467 /nfs/dbraw/zinc/93/24/67/558932467.db2.gz NKNFNIKJSBTVBC-OMWUSAIZSA-N 1 2 424.467 4.029 40 0 HIABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1CO ZINC000019574863 558932468 /nfs/dbraw/zinc/93/24/68/558932468.db2.gz NKNFNIKJSBTVBC-OMWUSAIZSA-N 1 2 424.467 4.029 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1ccccn1 ZINC000072349544 558946365 /nfs/dbraw/zinc/94/63/65/558946365.db2.gz VPSNYPLBUDEROD-LJQANCHMSA-N 1 2 404.489 4.025 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)Nc1ccccn1 ZINC000072349544 558946368 /nfs/dbraw/zinc/94/63/68/558946368.db2.gz VPSNYPLBUDEROD-LJQANCHMSA-N 1 2 404.489 4.025 40 0 HIABLO Cc1cnc(NC(=O)C[NH+]2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)s1 ZINC000019690253 558959552 /nfs/dbraw/zinc/95/95/52/558959552.db2.gz ZUMNJOQXQYGENJ-UHFFFAOYSA-N 1 2 424.545 4.395 40 0 HIABLO COc1ccc(CCNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)cc1OC ZINC000072373202 558961073 /nfs/dbraw/zinc/96/10/73/558961073.db2.gz SDWNGHADQAQJML-HNNXBMFYSA-N 1 2 423.561 4.382 40 0 HIABLO Cc1cccc(Nc2cccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375156 558963588 /nfs/dbraw/zinc/96/35/88/558963588.db2.gz PRMNSIBZLUDVTD-HXUWFJFHSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccc(Nc2cccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375156 558963591 /nfs/dbraw/zinc/96/35/91/558963591.db2.gz PRMNSIBZLUDVTD-HXUWFJFHSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375160 558963674 /nfs/dbraw/zinc/96/36/74/558963674.db2.gz KPOWBCFICZMCJW-HXUWFJFHSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccccc3F)n2)n1 ZINC000072375160 558963676 /nfs/dbraw/zinc/96/36/76/558963676.db2.gz KPOWBCFICZMCJW-HXUWFJFHSA-N 1 2 420.492 4.147 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000072378473 558967489 /nfs/dbraw/zinc/96/74/89/558967489.db2.gz NEEFZEIYTQNMOF-UHFFFAOYSA-N 1 2 406.505 4.479 40 0 HIABLO O=C(C[NH+]1Cc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000257240219 558993302 /nfs/dbraw/zinc/99/33/02/558993302.db2.gz HSPRPKPSCLARSZ-QAQDUYKDSA-N 1 2 422.554 4.204 40 0 HIABLO Cc1nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)sc1C ZINC000585290584 559123350 /nfs/dbraw/zinc/12/33/50/559123350.db2.gz CYAJTAMSESNTKB-IWAYRVGRSA-N 1 2 423.546 4.092 40 0 HIABLO O=C(NCCCn1cc[nH+]c1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257210208 559282587 /nfs/dbraw/zinc/28/25/87/559282587.db2.gz BTQQAJIHYHAYBA-UHFFFAOYSA-N 1 2 421.516 4.235 40 0 HIABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289384 560032798 /nfs/dbraw/zinc/03/27/98/560032798.db2.gz RRSUJMSTTQZQKA-HOTGVXAUSA-N 1 2 405.489 4.405 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCC(F)(F)CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289384 560032800 /nfs/dbraw/zinc/03/28/00/560032800.db2.gz RRSUJMSTTQZQKA-HOTGVXAUSA-N 1 2 405.489 4.405 40 0 biogenic,in-vitro HIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000000893711 560543532 /nfs/dbraw/zinc/54/35/32/560543532.db2.gz BUWSNBBBDDKLFV-QFIPXVFZSA-N 1 2 420.561 4.068 40 0 HIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000910526 560546240 /nfs/dbraw/zinc/54/62/40/560546240.db2.gz DJSFUUPCJYACCW-OAQYLSRUSA-N 1 2 422.577 4.098 40 0 HIABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000001346599 560576531 /nfs/dbraw/zinc/57/65/31/560576531.db2.gz DPBHFVZJIAWZRO-UHFFFAOYSA-N 1 2 419.510 4.172 40 0 HIABLO CC(=O)c1cccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C(C)C)CC2)c1 ZINC000001370990 560577803 /nfs/dbraw/zinc/57/78/03/560577803.db2.gz AKCFMRAVWSBJNO-UHFFFAOYSA-N 1 2 405.502 4.174 40 0 HIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012469823 560780799 /nfs/dbraw/zinc/78/07/99/560780799.db2.gz LAAFHHBNLPPFHU-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012469823 560780800 /nfs/dbraw/zinc/78/08/00/560780800.db2.gz LAAFHHBNLPPFHU-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO CCC1(CC)C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2O1 ZINC000222793354 568526757 /nfs/dbraw/zinc/52/67/57/568526757.db2.gz ILSQDMAZCPJIEC-QFIPXVFZSA-N 1 2 408.542 4.331 40 0 HIABLO C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000222854037 568528562 /nfs/dbraw/zinc/52/85/62/568528562.db2.gz NABJBEVQUFWQNH-MAIVGLDJSA-N 1 2 404.554 4.190 40 0 HIABLO S=C(NCCCn1cc[nH+]c1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225191829 568621413 /nfs/dbraw/zinc/62/14/13/568621413.db2.gz BXUUZUNYVFTGAH-UHFFFAOYSA-N 1 2 403.964 4.459 40 0 HIABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534083 568648261 /nfs/dbraw/zinc/64/82/61/568648261.db2.gz IOYAKRCKSCAKPN-UHFFFAOYSA-N 1 2 408.542 4.238 40 0 HIABLO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225696049 568665245 /nfs/dbraw/zinc/66/52/45/568665245.db2.gz MJZFYYFJAMJCJF-UHFFFAOYSA-N 1 2 420.594 4.204 40 0 HIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257212739 568779709 /nfs/dbraw/zinc/77/97/09/568779709.db2.gz CESMMSQUGZPKRA-OAQYLSRUSA-N 1 2 408.477 4.250 40 0 HIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257212739 568779711 /nfs/dbraw/zinc/77/97/11/568779711.db2.gz CESMMSQUGZPKRA-OAQYLSRUSA-N 1 2 408.477 4.250 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 ZINC000257215773 568780628 /nfs/dbraw/zinc/78/06/28/568780628.db2.gz CROTWWKDMDUGAL-XMMPIXPASA-N 1 2 408.521 4.218 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 ZINC000257215773 568780630 /nfs/dbraw/zinc/78/06/30/568780630.db2.gz CROTWWKDMDUGAL-XMMPIXPASA-N 1 2 408.521 4.218 40 0 HIABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257216498 568780833 /nfs/dbraw/zinc/78/08/33/568780833.db2.gz CUSWJVMJBVFBIJ-LJQANCHMSA-N 1 2 415.493 4.009 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257246564 568789376 /nfs/dbraw/zinc/78/93/76/568789376.db2.gz IURYQABOPDPRTI-OAQYLSRUSA-N 1 2 424.524 4.327 40 0 HIABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257246564 568789377 /nfs/dbraw/zinc/78/93/77/568789377.db2.gz IURYQABOPDPRTI-OAQYLSRUSA-N 1 2 424.524 4.327 40 0 HIABLO CO[C@H]1C[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@@]12CCCO2 ZINC000257293066 568802492 /nfs/dbraw/zinc/80/24/92/568802492.db2.gz QNZGBIUXYAAOKX-GMAHTHKFSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@H]1C[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@@]12CCCO2 ZINC000257293066 568802493 /nfs/dbraw/zinc/80/24/93/568802493.db2.gz QNZGBIUXYAAOKX-GMAHTHKFSA-N 1 2 410.539 4.086 40 0 HIABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3cccc(OC(C)C)c3)c2)C1 ZINC000257293767 568802734 /nfs/dbraw/zinc/80/27/34/568802734.db2.gz QRCSSPAXLJSNDK-HXUWFJFHSA-N 1 2 419.529 4.207 40 0 HIABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2cccc(F)c2)CCCC1 ZINC000257325771 568812077 /nfs/dbraw/zinc/81/20/77/568812077.db2.gz WUJJQODBEZFDQQ-FQEVSTJZSA-N 1 2 421.516 4.003 40 0 HIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261364276 568819622 /nfs/dbraw/zinc/81/96/22/568819622.db2.gz KKVRNJBKPQIWBS-FQEVSTJZSA-O 1 2 417.518 4.001 40 0 HIABLO CCOc1ccc([C@@H](c2c(NC(C)=O)sc3c2CCCC3)[NH+]2CCOCC2)cc1 ZINC000026505037 568823927 /nfs/dbraw/zinc/82/39/27/568823927.db2.gz RQIRNEXRMQUGSG-QFIPXVFZSA-N 1 2 414.571 4.406 40 0 HIABLO CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329002210 568972125 /nfs/dbraw/zinc/97/21/25/568972125.db2.gz KGRFQLMQBYNCND-UHFFFAOYSA-N 1 2 410.346 4.340 40 0 HIABLO CC(C)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329021713 568972998 /nfs/dbraw/zinc/97/29/98/568972998.db2.gz OHNXVSWGPNYTNN-UHFFFAOYSA-N 1 2 402.420 4.318 40 0 HIABLO CCNc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329035879 568973933 /nfs/dbraw/zinc/97/39/33/568973933.db2.gz RGHHVEVUKQDWPR-UHFFFAOYSA-N 1 2 406.383 4.069 40 0 HIABLO CC(C)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329063881 568975232 /nfs/dbraw/zinc/97/52/32/568975232.db2.gz XGACICBEPOAMJF-UHFFFAOYSA-N 1 2 416.447 4.361 40 0 HIABLO Cc1cccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1C ZINC000008433919 569341028 /nfs/dbraw/zinc/34/10/28/569341028.db2.gz GJWYGSVWNYLHCN-UHFFFAOYSA-N 1 2 416.521 4.488 40 0 HIABLO CC(C)(C)Nc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000329065074 571305126 /nfs/dbraw/zinc/30/51/26/571305126.db2.gz XOTHYCCSBAJJPB-UHFFFAOYSA-N 1 2 408.287 4.913 40 0 HIABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328997271 571305637 /nfs/dbraw/zinc/30/56/37/571305637.db2.gz JNKPJCSDBNNWJY-QGZVFWFLSA-N 1 2 419.367 4.906 40 0 HIABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328997270 571305643 /nfs/dbraw/zinc/30/56/43/571305643.db2.gz JNKPJCSDBNNWJY-KRWDZBQOSA-N 1 2 419.367 4.906 40 0 HIABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cc2ccccc2o1 ZINC000015676391 291269704 /nfs/dbraw/zinc/26/97/04/291269704.db2.gz DGPXZFFGBGCZGL-NRFANRHFSA-N 1 2 420.900 4.053 40 0 biogenic,in-vitro HIABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cc2ccccc2o1 ZINC000015676391 291269708 /nfs/dbraw/zinc/26/97/08/291269708.db2.gz DGPXZFFGBGCZGL-NRFANRHFSA-N 1 2 420.900 4.053 40 0 biogenic,in-vitro HIABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408562619 557461394 /nfs/dbraw/zinc/46/13/94/557461394.db2.gz DGXHBKDEJGMIMY-DHZHZOJOSA-N 1 2 412.555 4.472 40 0 HIABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408562619 557461396 /nfs/dbraw/zinc/46/13/96/557461396.db2.gz DGXHBKDEJGMIMY-DHZHZOJOSA-N 1 2 412.555 4.472 40 0 HIABLO Cc1nc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019753529 558272701 /nfs/dbraw/zinc/27/27/01/558272701.db2.gz WWDWZOHWZCCBPJ-JOCHJYFZSA-N 1 2 420.488 4.392 40 0 HIABLO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019753529 558272704 /nfs/dbraw/zinc/27/27/04/558272704.db2.gz WWDWZOHWZCCBPJ-JOCHJYFZSA-N 1 2 420.488 4.392 40 0 HIABLO CNc1ncccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1F ZINC000012240855 558360520 /nfs/dbraw/zinc/36/05/20/558360520.db2.gz KEDVBIRKZPWRNW-QHCPKHFHSA-N 1 2 407.489 4.427 40 0 HIABLO CNc1ncccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1F ZINC000012240855 558360523 /nfs/dbraw/zinc/36/05/23/558360523.db2.gz KEDVBIRKZPWRNW-QHCPKHFHSA-N 1 2 407.489 4.427 40 0 HIABLO CC(C)N1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635213 558553677 /nfs/dbraw/zinc/55/36/77/558553677.db2.gz YVXSWMZNGDCWBD-NRFANRHFSA-N 1 2 410.315 4.075 40 0 HIABLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1OC ZINC000019120885 558843028 /nfs/dbraw/zinc/84/30/28/558843028.db2.gz ANMRAHWNGGXVCY-QGZVFWFLSA-N 1 2 412.490 4.126 40 0 HIABLO COc1cc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1OC ZINC000019120885 558843030 /nfs/dbraw/zinc/84/30/30/558843030.db2.gz ANMRAHWNGGXVCY-QGZVFWFLSA-N 1 2 412.490 4.126 40 0 HIABLO COc1cccc(-c2cc(C(=O)N3CC[C@H](c4[nH+]c(C)n5c(C)csc45)C3)no2)c1 ZINC000019240516 558859034 /nfs/dbraw/zinc/85/90/34/558859034.db2.gz NIGXTSWAEHVOSR-INIZCTEOSA-N 1 2 422.510 4.306 40 0 HIABLO COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Cn2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000019286711 558860570 /nfs/dbraw/zinc/86/05/70/558860570.db2.gz DKTZTNFLCYOKSA-KKSFZXQISA-N 1 2 407.514 4.362 40 0 HIABLO Fc1ccc(Nc2nc(-c3cccnc3)nc3c2C[N@H+](Cc2ccncc2)CC3)cc1 ZINC000019341171 558871850 /nfs/dbraw/zinc/87/18/50/558871850.db2.gz GLABNIOLDWWUPT-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Fc1ccc(Nc2nc(-c3cccnc3)nc3c2C[N@@H+](Cc2ccncc2)CC3)cc1 ZINC000019341171 558871852 /nfs/dbraw/zinc/87/18/52/558871852.db2.gz GLABNIOLDWWUPT-UHFFFAOYSA-N 1 2 412.472 4.375 40 0 HIABLO Cc1cccc(N2CC[NH+]([C@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)c1C ZINC000057671591 558889790 /nfs/dbraw/zinc/88/97/90/558889790.db2.gz UQVZGKKTCVPETK-JOCHJYFZSA-N 1 2 424.618 4.309 40 0 HIABLO CCCn1cnc2sc(C(=O)Nc3ccc4c(c3)[nH+]c(C(C)C)n4C)c(C)c2c1=O ZINC000019526130 558907474 /nfs/dbraw/zinc/90/74/74/558907474.db2.gz YVGDFDSMCQNGKU-UHFFFAOYSA-N 1 2 423.542 4.439 40 0 HIABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)[nH+]1 ZINC000019570328 558929223 /nfs/dbraw/zinc/92/92/23/558929223.db2.gz GEXQEWAVZFLREE-SFHVURJKSA-N 1 2 419.529 4.002 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)Nc1nccs1 ZINC000072348908 558945673 /nfs/dbraw/zinc/94/56/73/558945673.db2.gz QEYQPJFYGBSRSP-UHFFFAOYSA-N 1 2 410.518 4.086 40 0 HIABLO Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)nc2)[nH+]1 ZINC000072353244 558950173 /nfs/dbraw/zinc/95/01/73/558950173.db2.gz LNXAXGLUGUENHS-IBGZPJMESA-N 1 2 420.517 4.331 40 0 HIABLO COc1ccccc1CCC(=O)N1CCC[C@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019688757 558958121 /nfs/dbraw/zinc/95/81/21/558958121.db2.gz MNFVKMSTLIROIT-NRFANRHFSA-N 1 2 416.525 4.073 40 0 HIABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000072375157 558963663 /nfs/dbraw/zinc/96/36/63/558963663.db2.gz YDEZHOGYSKMMQR-FQEVSTJZSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000072375157 558963664 /nfs/dbraw/zinc/96/36/64/558963664.db2.gz YDEZHOGYSKMMQR-FQEVSTJZSA-N 1 2 405.477 4.443 40 0 HIABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1 ZINC000072378931 558967822 /nfs/dbraw/zinc/96/78/22/558967822.db2.gz YUSVNYUEGJIFGR-HXUWFJFHSA-N 1 2 418.541 4.177 40 0 HIABLO Cn1cc(C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000072383126 558969112 /nfs/dbraw/zinc/96/91/12/558969112.db2.gz ROPISIGAUQJELX-IBGZPJMESA-N 1 2 423.513 4.205 40 0 HIABLO Cn1cc(C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000072383126 558969113 /nfs/dbraw/zinc/96/91/13/558969113.db2.gz ROPISIGAUQJELX-IBGZPJMESA-N 1 2 423.513 4.205 40 0 HIABLO CCn1nc(C(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)c2ccccc2c1=O ZINC000019717003 558979411 /nfs/dbraw/zinc/97/94/11/558979411.db2.gz WRQOFBCVPFVIOF-UHFFFAOYSA-N 1 2 423.476 4.292 40 0 HIABLO O=C(c1cn(CC[NH+]2CCOCC2)c2c1cccc2O)c1cccc2ccccc21 ZINC000071746337 559143726 /nfs/dbraw/zinc/14/37/26/559143726.db2.gz CMMGHZRATLHDKO-UHFFFAOYSA-N 1 2 400.478 4.063 40 0 in-vitro HIABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257300369 559286129 /nfs/dbraw/zinc/28/61/29/559286129.db2.gz RUAOTFNEUBBDLN-AREMUKBSSA-N 1 2 415.537 4.240 40 0 HIABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257300369 559286130 /nfs/dbraw/zinc/28/61/30/559286130.db2.gz RUAOTFNEUBBDLN-AREMUKBSSA-N 1 2 415.537 4.240 40 0 HIABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)N4CCOCC4)C=C3C)[nH+]c2c1 ZINC000072320846 560077105 /nfs/dbraw/zinc/07/71/05/560077105.db2.gz RXZLOVVFNFNQRS-ACRUOGEOSA-N 1 2 424.589 4.310 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)N4CCOCC4)C=C3C)[nH]c2c1 ZINC000072320846 560077106 /nfs/dbraw/zinc/07/71/06/560077106.db2.gz RXZLOVVFNFNQRS-ACRUOGEOSA-N 1 2 424.589 4.310 40 0 biogenic,in-vitro HIABLO CC1=C[C@@H](CNC(=O)N2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320796 560077283 /nfs/dbraw/zinc/07/72/83/560077283.db2.gz YFGHPNYOBMGZLM-UFYCRDLUSA-N 1 2 410.562 4.002 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000888942 560542280 /nfs/dbraw/zinc/54/22/80/560542280.db2.gz DVTFBWPRDWYDPJ-JTSKRJEESA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000888942 560542281 /nfs/dbraw/zinc/54/22/81/560542281.db2.gz DVTFBWPRDWYDPJ-JTSKRJEESA-N 1 2 420.561 4.150 40 0 HIABLO CCc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2C)cc1 ZINC000001346305 560576405 /nfs/dbraw/zinc/57/64/05/560576405.db2.gz PWWGQLLKXHXAPD-UHFFFAOYSA-N 1 2 403.511 4.417 40 0 HIABLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000005626055 560627931 /nfs/dbraw/zinc/62/79/31/560627931.db2.gz WDRWTRYNFPMBNI-UHFFFAOYSA-N 1 2 412.921 4.351 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1 ZINC000257288363 568801037 /nfs/dbraw/zinc/80/10/37/568801037.db2.gz PTXRQKIGLLRVQG-QHCPKHFHSA-N 1 2 410.949 4.424 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)c(C)n1 ZINC000257288363 568801039 /nfs/dbraw/zinc/80/10/39/568801039.db2.gz PTXRQKIGLLRVQG-QHCPKHFHSA-N 1 2 410.949 4.424 40 0 HIABLO Cc1cccc(Nc2ccc([C@@H]3CN(Cc4cnc(C(C)C)nc4)CCO3)nc2)[nH+]1 ZINC000257298844 568804022 /nfs/dbraw/zinc/80/40/22/568804022.db2.gz RNLXZRSRFQIRLF-NRFANRHFSA-N 1 2 404.518 4.016 40 0 HIABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CC2)n1 ZINC000329013161 568972556 /nfs/dbraw/zinc/97/25/56/568972556.db2.gz MPJCXWCYPIXESE-UHFFFAOYSA-N 1 2 414.431 4.381 40 0 HIABLO CC(C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329012069 568972635 /nfs/dbraw/zinc/97/26/35/568972635.db2.gz MIJGSSALNZIGGA-UHFFFAOYSA-N 1 2 401.283 4.453 40 0 HIABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329047160 568974494 /nfs/dbraw/zinc/97/44/94/568974494.db2.gz UEYCNQPFVGCHBO-GFCCVEGCSA-N 1 2 422.838 4.196 40 0 HIABLO CCN1CC[NH+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)CC1 ZINC000216827803 569025014 /nfs/dbraw/zinc/02/50/14/569025014.db2.gz RFFWNHDAQNBEDJ-UHFFFAOYSA-N 1 2 400.320 4.395 40 0 HIABLO Cc1[nH+]c2c(C)cccn2c1CN1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000019693283 569346425 /nfs/dbraw/zinc/34/64/25/569346425.db2.gz XSTYPVGNULBWGZ-NRFANRHFSA-N 1 2 417.488 4.121 40 0 HIABLO O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1c(-c2ccccc2)cc2ccccn21 ZINC000038280052 569351759 /nfs/dbraw/zinc/35/17/59/569351759.db2.gz JRXQUQFODVFTAO-UHFFFAOYSA-N 1 2 423.516 4.133 40 0 HIABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1OC ZINC000329029644 571306767 /nfs/dbraw/zinc/30/67/67/571306767.db2.gz PZTJPOHEFVMACJ-UHFFFAOYSA-N 1 2 406.486 4.893 40 0 HIABLO CC1=C[C@@H](CNc2cccc[nH+]2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 ZINC000035442752 291262672 /nfs/dbraw/zinc/26/26/72/291262672.db2.gz AUWYQCLVQMCXEL-FHWLQOOXSA-N 1 2 406.534 4.374 40 0 biogenic,in-vitro HIABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(Cl)cc4)C[N@H+]3C)n2)cc1 ZINC000012529741 291267945 /nfs/dbraw/zinc/26/79/45/291267945.db2.gz ZQMSTFXZRMRWJM-ROUUACIJSA-N 1 2 411.893 4.265 40 0 biogenic,in-vitro HIABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(Cl)cc4)C[N@@H+]3C)n2)cc1 ZINC000012529741 291267949 /nfs/dbraw/zinc/26/79/49/291267949.db2.gz ZQMSTFXZRMRWJM-ROUUACIJSA-N 1 2 411.893 4.265 40 0 biogenic,in-vitro HIABLO O=C(CSCc1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408576832 557480083 /nfs/dbraw/zinc/48/00/83/557480083.db2.gz NSUURIZTGSIZGA-WEVVVXLNSA-N 1 2 400.975 4.431 40 0 HIABLO COc1ccc(CCNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000012143413 558335483 /nfs/dbraw/zinc/33/54/83/558335483.db2.gz UCPGTJNWRSUIFH-UHFFFAOYSA-N 1 2 419.460 4.345 40 0 HIABLO COc1ccc(OC)c(C[N@@H+](Cc2coc3ccc(C)cc3c2=O)C[C@@H]2CCCO2)c1 ZINC000012187483 558346274 /nfs/dbraw/zinc/34/62/74/558346274.db2.gz RBQGEEXROGWPTK-NRFANRHFSA-N 1 2 423.509 4.300 40 0 HIABLO COc1ccc(OC)c(C[N@H+](Cc2coc3ccc(C)cc3c2=O)C[C@@H]2CCCO2)c1 ZINC000012187483 558346277 /nfs/dbraw/zinc/34/62/77/558346277.db2.gz RBQGEEXROGWPTK-NRFANRHFSA-N 1 2 423.509 4.300 40 0 HIABLO CNc1ncccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1F ZINC000012240859 558360445 /nfs/dbraw/zinc/36/04/45/558360445.db2.gz KEDVBIRKZPWRNW-HSZRJFAPSA-N 1 2 407.489 4.427 40 0 HIABLO CNc1ncccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1F ZINC000012240859 558360448 /nfs/dbraw/zinc/36/04/48/558360448.db2.gz KEDVBIRKZPWRNW-HSZRJFAPSA-N 1 2 407.489 4.427 40 0 HIABLO COc1cc2[nH]c(C(=O)N3CC[C@H](c4[nH+]c(C)n5c(C)csc45)C3)cc2c(OC)c1 ZINC000019240518 558859081 /nfs/dbraw/zinc/85/90/81/558859081.db2.gz XTGCAZPEFWVCAO-AWEZNQCLSA-N 1 2 424.526 4.141 40 0 HIABLO Cc1csc2c([C@H]3CCN(C(=O)c4cc(-c5ccc(F)cc5)no4)C3)[nH+]c(C)n12 ZINC000019240512 558859110 /nfs/dbraw/zinc/85/91/10/558859110.db2.gz NZVWBEAOKIJNFB-HNNXBMFYSA-N 1 2 410.474 4.436 40 0 HIABLO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1nn2cccnc2c1Cl ZINC000019375826 558882131 /nfs/dbraw/zinc/88/21/31/558882131.db2.gz HQOXUPIGXXVETE-UHFFFAOYSA-N 1 2 416.872 4.297 40 0 HIABLO COc1ccc(Cc2cnc(NC(=O)c3ccccc3Cn3cc[nH+]c3)s2)cc1 ZINC000019555972 558918733 /nfs/dbraw/zinc/91/87/33/558918733.db2.gz NZANSLVPKMMIMH-UHFFFAOYSA-N 1 2 404.495 4.240 40 0 HIABLO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000019568600 558927657 /nfs/dbraw/zinc/92/76/57/558927657.db2.gz NKHAKOYOOGDBSS-KBPBESRZSA-N 1 2 421.423 4.104 40 0 HIABLO CCn1ccnc1C[N@@H+]1CCN(CC)C(=O)[C@H](Cc2ccc(-c3cccs3)cc2)C1 ZINC000019578097 558933814 /nfs/dbraw/zinc/93/38/14/558933814.db2.gz NYSAMZJYOYWNOK-OAQYLSRUSA-N 1 2 422.598 4.155 40 0 HIABLO CCn1ccnc1C[N@H+]1CCN(CC)C(=O)[C@H](Cc2ccc(-c3cccs3)cc2)C1 ZINC000019578097 558933816 /nfs/dbraw/zinc/93/38/16/558933816.db2.gz NYSAMZJYOYWNOK-OAQYLSRUSA-N 1 2 422.598 4.155 40 0 HIABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000019692151 558961818 /nfs/dbraw/zinc/96/18/18/558961818.db2.gz NNTVNNFKCWYBTI-UHFFFAOYSA-N 1 2 404.489 4.122 40 0 HIABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096144996 559097028 /nfs/dbraw/zinc/09/70/28/559097028.db2.gz ZHAKCSINHNSKBN-UHFFFAOYSA-N 1 2 400.526 4.017 40 0 HIABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096144996 559097029 /nfs/dbraw/zinc/09/70/29/559097029.db2.gz ZHAKCSINHNSKBN-UHFFFAOYSA-N 1 2 400.526 4.017 40 0 HIABLO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000257301686 559286041 /nfs/dbraw/zinc/28/60/41/559286041.db2.gz RZKKNRHMEWPZBL-AREMUKBSSA-N 1 2 415.537 4.206 40 0 HIABLO CNC(=O)[C@]1(c2cccc(C)n2)CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000257301686 559286042 /nfs/dbraw/zinc/28/60/42/559286042.db2.gz RZKKNRHMEWPZBL-AREMUKBSSA-N 1 2 415.537 4.206 40 0 HIABLO O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289595 560032214 /nfs/dbraw/zinc/03/22/14/560032214.db2.gz WBSKAKMINJHGJA-OALUTQOASA-N 1 2 409.505 4.290 40 0 biogenic,in-vitro HIABLO O=C([O-])C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289595 560032215 /nfs/dbraw/zinc/03/22/15/560032215.db2.gz WBSKAKMINJHGJA-OALUTQOASA-N 1 2 409.505 4.290 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595851 560738235 /nfs/dbraw/zinc/73/82/35/560738235.db2.gz DVTFBWPRDWYDPJ-VGOFRKELSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595851 560738237 /nfs/dbraw/zinc/73/82/37/560738237.db2.gz DVTFBWPRDWYDPJ-VGOFRKELSA-N 1 2 420.561 4.150 40 0 HIABLO Fc1ccc(Cn2nnnc2[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000057710399 568495900 /nfs/dbraw/zinc/49/59/00/568495900.db2.gz MCANRHITABOELN-SFHVURJKSA-N 1 2 405.399 4.065 40 0 HIABLO CCOc1cc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)ccc1OC ZINC000095534467 568635826 /nfs/dbraw/zinc/63/58/26/568635826.db2.gz HAVZNPZVULRABL-OAQYLSRUSA-N 1 2 410.518 4.137 40 0 HIABLO O=C(C[NH+]1CCC(Cc2cccc(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000257199733 568775885 /nfs/dbraw/zinc/77/58/85/568775885.db2.gz AAQPAVCJQZGHEI-UHFFFAOYSA-N 1 2 419.504 4.253 40 0 HIABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257202539 568776682 /nfs/dbraw/zinc/77/66/82/568776682.db2.gz AMGVKDAYGNGRLP-QHCPKHFHSA-N 1 2 422.960 4.360 40 0 HIABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257202539 568776684 /nfs/dbraw/zinc/77/66/84/568776684.db2.gz AMGVKDAYGNGRLP-QHCPKHFHSA-N 1 2 422.960 4.360 40 0 HIABLO CO[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@]12CCCO2 ZINC000257209632 568778976 /nfs/dbraw/zinc/77/89/76/568778976.db2.gz BRFQJAYXIJOSRU-GGAORHGYSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@@]12CCCO2 ZINC000257209632 568778978 /nfs/dbraw/zinc/77/89/78/568778978.db2.gz BRFQJAYXIJOSRU-GGAORHGYSA-N 1 2 410.539 4.086 40 0 HIABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257268691 568795180 /nfs/dbraw/zinc/79/51/80/568795180.db2.gz MMTUZTYKWFRNFD-KIFXHHALSA-N 1 2 403.501 4.411 40 0 HIABLO CNc1cc([C@@H]2CCCN2C(=O)c2cccnc2Nc2ccc(OC)cc2)cc[nH+]1 ZINC000257288134 568800849 /nfs/dbraw/zinc/80/08/49/568800849.db2.gz PSZULTRTVQVHIV-FQEVSTJZSA-N 1 2 403.486 4.248 40 0 HIABLO C[C@H](O)[C@@H](O)[C@H](Nc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC2CCCC2)c1 ZINC000257292466 568802253 /nfs/dbraw/zinc/80/22/53/568802253.db2.gz QLPHCTNCNBFBDZ-PISWEHOVSA-N 1 2 421.541 4.148 40 0 HIABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3cccc(OC(C)C)c3)c2)C1 ZINC000257293766 568802608 /nfs/dbraw/zinc/80/26/08/568802608.db2.gz QRCSSPAXLJSNDK-FQEVSTJZSA-N 1 2 419.529 4.207 40 0 HIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3nc(C)cs3)n2)C1 ZINC000257311300 568807646 /nfs/dbraw/zinc/80/76/46/568807646.db2.gz UIVREGDNGQRFQE-FQEVSTJZSA-N 1 2 410.543 4.481 40 0 HIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3nc(C)cs3)n2)C1 ZINC000257311300 568807647 /nfs/dbraw/zinc/80/76/47/568807647.db2.gz UIVREGDNGQRFQE-FQEVSTJZSA-N 1 2 410.543 4.481 40 0 HIABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2ccccc2F)CCCC1 ZINC000257317585 568809536 /nfs/dbraw/zinc/80/95/36/568809536.db2.gz VKJXKCNHRZMNOJ-FQEVSTJZSA-N 1 2 421.516 4.003 40 0 HIABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000257331489 568813606 /nfs/dbraw/zinc/81/36/06/568813606.db2.gz XTBMJYFJQWHDHR-FQEVSTJZSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)s1 ZINC000257331489 568813608 /nfs/dbraw/zinc/81/36/08/568813608.db2.gz XTBMJYFJQWHDHR-FQEVSTJZSA-N 1 2 418.950 4.023 40 0 HIABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(c3nnc(C)c4ccccc43)CCO2)nc1 ZINC000257331925 568813645 /nfs/dbraw/zinc/81/36/45/568813645.db2.gz XUXBDSMEZZHUBA-QFIPXVFZSA-N 1 2 412.497 4.358 40 0 HIABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306125400 568888100 /nfs/dbraw/zinc/88/81/00/568888100.db2.gz COZPNUREHGTEIT-HXUWFJFHSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)cc1 ZINC000306125400 568888101 /nfs/dbraw/zinc/88/81/01/568888101.db2.gz COZPNUREHGTEIT-HXUWFJFHSA-N 1 2 406.511 4.040 40 0 HIABLO COc1ccc(-c2cn3c4c(n(C(C)C)c3[nH+]2)CCN(Cc2cccnc2)C4)cc1 ZINC000306131005 568893298 /nfs/dbraw/zinc/89/32/98/568893298.db2.gz JUMOLBVDIGXPEA-UHFFFAOYSA-N 1 2 401.514 4.346 40 0 HIABLO CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329025641 568973552 /nfs/dbraw/zinc/97/35/52/568973552.db2.gz PHCUGYFXOGTWCW-UHFFFAOYSA-N 1 2 424.373 4.208 40 0 HIABLO Fc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CC2)n1 ZINC000329068037 568975516 /nfs/dbraw/zinc/97/55/16/568975516.db2.gz YNABTKKFNDNBOC-UHFFFAOYSA-N 1 2 418.394 4.212 40 0 HIABLO CNc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069321 568975593 /nfs/dbraw/zinc/97/55/93/568975593.db2.gz YVUFVQBDXDQLMF-UHFFFAOYSA-N 1 2 408.811 4.193 40 0 HIABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)Nc3cccc(F)c3)n2)c1 ZINC000020464497 575366857 /nfs/dbraw/zinc/36/68/57/575366857.db2.gz PEKFNEXMXRSOBK-IBGZPJMESA-N 1 2 418.432 4.239 40 0 biogenic,in-vitro HIABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)Nc3cccc(F)c3)n2)c1 ZINC000020464497 575366861 /nfs/dbraw/zinc/36/68/61/575366861.db2.gz PEKFNEXMXRSOBK-IBGZPJMESA-N 1 2 418.432 4.239 40 0 biogenic,in-vitro HIABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530075 291264094 /nfs/dbraw/zinc/26/40/94/291264094.db2.gz NMQRBTGFMUEENE-PMACEKPBSA-N 1 2 404.514 4.209 40 0 biogenic,in-vitro HIABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530075 291264096 /nfs/dbraw/zinc/26/40/96/291264096.db2.gz NMQRBTGFMUEENE-PMACEKPBSA-N 1 2 404.514 4.209 40 0 biogenic,in-vitro HIABLO COc1ccccc1CN1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC000015675614 291267213 /nfs/dbraw/zinc/26/72/13/291267213.db2.gz LETWFFCTTPXMHI-FQEVSTJZSA-N 1 2 401.470 4.076 40 0 biogenic,in-vitro HIABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019759643 558275933 /nfs/dbraw/zinc/27/59/33/558275933.db2.gz ZNDDOPAOKQPOMC-UGOOHZPOSA-N 1 2 415.537 4.413 40 0 HIABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019759643 558275934 /nfs/dbraw/zinc/27/59/34/558275934.db2.gz ZNDDOPAOKQPOMC-UGOOHZPOSA-N 1 2 415.537 4.413 40 0 HIABLO c1csc(-c2nc(NCc3ccccc3-n3cc[nH+]c3)ncc2-c2cnccn2)c1 ZINC000012087660 558322671 /nfs/dbraw/zinc/32/26/71/558322671.db2.gz HAXFCQROBBYTFP-UHFFFAOYSA-N 1 2 411.494 4.460 40 0 HIABLO COc1ccc([C@H](NC(=O)C2(c3ccccc3)CCCC2)c2[nH+]ccn2C)cc1OC ZINC000012114952 558327595 /nfs/dbraw/zinc/32/75/95/558327595.db2.gz LUFIDZMUMQXCBG-QFIPXVFZSA-N 1 2 419.525 4.155 40 0 HIABLO C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013708726 558575279 /nfs/dbraw/zinc/57/52/79/558575279.db2.gz CNDUNCNSJSZPLK-TYOLEZHBSA-N 1 2 400.522 4.465 40 0 HIABLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013709497 558575411 /nfs/dbraw/zinc/57/54/11/558575411.db2.gz XCOHBDMQIZVBGK-MAIVGLDJSA-N 1 2 400.522 4.465 40 0 HIABLO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@@H]2C)OCO4)c1OC ZINC000031861135 558753168 /nfs/dbraw/zinc/75/31/68/558753168.db2.gz IGAAMAVEJGCBND-CHVDNLQBSA-N 1 2 411.498 4.405 40 0 HIABLO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@H]2C)OCO4)c1OC ZINC000031861137 558753283 /nfs/dbraw/zinc/75/32/83/558753283.db2.gz IGAAMAVEJGCBND-PPYUERFYSA-N 1 2 411.498 4.405 40 0 HIABLO Fc1ccc(-c2cnc3c(c2)[C@@H]([NH2+]C2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000019341263 558871875 /nfs/dbraw/zinc/87/18/75/558871875.db2.gz GSHVJEYIEGCSBR-FQEVSTJZSA-N 1 2 416.485 4.305 40 0 HIABLO O=C(c1ccc(Cn2cc[nH+]c2)o1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000019345744 558873135 /nfs/dbraw/zinc/87/31/35/558873135.db2.gz RDEMPQMGJXGOPP-UHFFFAOYSA-N 1 2 407.470 4.228 40 0 HIABLO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)s1 ZINC000019447528 558886671 /nfs/dbraw/zinc/88/66/71/558886671.db2.gz AELPNHUJGYANGE-INIZCTEOSA-N 1 2 417.600 4.372 40 0 HIABLO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)s1 ZINC000019447528 558886673 /nfs/dbraw/zinc/88/66/73/558886673.db2.gz AELPNHUJGYANGE-INIZCTEOSA-N 1 2 417.600 4.372 40 0 HIABLO Cc1noc2nc(C3CCN(C(=O)C[C@H](C)n4cc[nH+]c4)CC3)cc(C(F)(F)F)c12 ZINC000019564621 558924694 /nfs/dbraw/zinc/92/46/94/558924694.db2.gz GTHXDXMPFFHJBP-LBPRGKRZSA-N 1 2 421.423 4.104 40 0 HIABLO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4nccs4)C3)n2)cc1 ZINC000072348889 558945655 /nfs/dbraw/zinc/94/56/55/558945655.db2.gz ISQJMPJAKOVDMA-QGZVFWFLSA-N 1 2 408.527 4.032 40 0 HIABLO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4nccs4)C3)n2)cc1 ZINC000072348889 558945657 /nfs/dbraw/zinc/94/56/57/558945657.db2.gz ISQJMPJAKOVDMA-QGZVFWFLSA-N 1 2 408.527 4.032 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370215 558956367 /nfs/dbraw/zinc/95/63/67/558956367.db2.gz NUMIZYAUCMNDJV-FQEVSTJZSA-N 1 2 419.550 4.326 40 0 HIABLO CNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370215 558956369 /nfs/dbraw/zinc/95/63/69/558956369.db2.gz NUMIZYAUCMNDJV-FQEVSTJZSA-N 1 2 419.550 4.326 40 0 HIABLO Cc1nc(N[C@@H](C)COc2ccc(Cl)cc2)cc(Cn2nnc3ccccc32)[nH+]1 ZINC000072373305 558961119 /nfs/dbraw/zinc/96/11/19/558961119.db2.gz JCMUBVSNNKKFQP-AWEZNQCLSA-N 1 2 408.893 4.111 40 0 HIABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072375145 558963580 /nfs/dbraw/zinc/96/35/80/558963580.db2.gz FMLWSJQEBIDNDO-FQEVSTJZSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072375145 558963583 /nfs/dbraw/zinc/96/35/83/558963583.db2.gz FMLWSJQEBIDNDO-FQEVSTJZSA-N 1 2 405.477 4.443 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)n2)n1 ZINC000072375147 558963655 /nfs/dbraw/zinc/96/36/55/558963655.db2.gz OXIHKMRMNDAWEK-FQEVSTJZSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)n2)n1 ZINC000072375147 558963658 /nfs/dbraw/zinc/96/36/58/558963658.db2.gz OXIHKMRMNDAWEK-FQEVSTJZSA-N 1 2 420.492 4.147 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072379167 558967874 /nfs/dbraw/zinc/96/78/74/558967874.db2.gz QVIRBKJNWWLHAH-LJQANCHMSA-N 1 2 414.506 4.056 40 0 HIABLO O=C(c1cn(CC[NH+]2CCOCC2)c2cc(O)ccc12)c1cccc2ccccc21 ZINC000071746313 559143735 /nfs/dbraw/zinc/14/37/35/559143735.db2.gz PRMFDACRPWNMJK-UHFFFAOYSA-N 1 2 400.478 4.063 40 0 in-vitro HIABLO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000257301687 559286124 /nfs/dbraw/zinc/28/61/24/559286124.db2.gz RZKKNRHMEWPZBL-SANMLTNESA-N 1 2 415.537 4.206 40 0 HIABLO CNC(=O)[C@@]1(c2cccc(C)n2)CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000257301687 559286125 /nfs/dbraw/zinc/28/61/25/559286125.db2.gz RZKKNRHMEWPZBL-SANMLTNESA-N 1 2 415.537 4.206 40 0 HIABLO CC1=C[C@@H](CNC(=O)N2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320880 560077854 /nfs/dbraw/zinc/07/78/54/560077854.db2.gz HXNIOUHGZFLWBL-ACRUOGEOSA-N 1 2 424.589 4.012 40 0 biogenic,in-vitro HIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000909141 560545883 /nfs/dbraw/zinc/54/58/83/560545883.db2.gz VIMVNRULSAXWQQ-NRFANRHFSA-N 1 2 422.577 4.098 40 0 HIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000910528 560546178 /nfs/dbraw/zinc/54/61/78/560546178.db2.gz DJSFUUPCJYACCW-NRFANRHFSA-N 1 2 422.577 4.098 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000926739 560556963 /nfs/dbraw/zinc/55/69/63/560556963.db2.gz ITYINMANSHKGAP-UHFFFAOYSA-N 1 2 420.561 4.191 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000926739 560556965 /nfs/dbraw/zinc/55/69/65/560556965.db2.gz ITYINMANSHKGAP-UHFFFAOYSA-N 1 2 420.561 4.191 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc12 ZINC000000926939 560557005 /nfs/dbraw/zinc/55/70/05/560557005.db2.gz GXGCCKJCWCJTAI-UHFFFAOYSA-N 1 2 420.561 4.191 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc12 ZINC000000926939 560557007 /nfs/dbraw/zinc/55/70/07/560557007.db2.gz GXGCCKJCWCJTAI-UHFFFAOYSA-N 1 2 420.561 4.191 40 0 HIABLO COc1cccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000001346399 560576348 /nfs/dbraw/zinc/57/63/48/560576348.db2.gz ZBHYSGZSPWHDNO-UHFFFAOYSA-N 1 2 404.495 4.416 40 0 HIABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408931756 560655033 /nfs/dbraw/zinc/65/50/33/560655033.db2.gz PUQNQQDSNYGFTM-STZFKDTASA-N 1 2 420.900 4.290 40 0 HIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012470371 560780804 /nfs/dbraw/zinc/78/08/04/560780804.db2.gz FAMGWHCGKGYLMO-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012470371 560780805 /nfs/dbraw/zinc/78/08/05/560780805.db2.gz FAMGWHCGKGYLMO-QRQCRPRQSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000020139270 560880975 /nfs/dbraw/zinc/88/09/75/560880975.db2.gz MRDPLTHRXCLXIW-QHCPKHFHSA-N 1 2 418.589 4.265 40 0 HIABLO CO[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 ZINC000257209631 568778962 /nfs/dbraw/zinc/77/89/62/568778962.db2.gz BRFQJAYXIJOSRU-FYYLOGMGSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 ZINC000257209631 568778964 /nfs/dbraw/zinc/77/89/64/568778964.db2.gz BRFQJAYXIJOSRU-FYYLOGMGSA-N 1 2 410.539 4.086 40 0 HIABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)c2cc(F)ccc21 ZINC000257212252 568779749 /nfs/dbraw/zinc/77/97/49/568779749.db2.gz CCNJVEUYJGMZIV-QFIPXVFZSA-N 1 2 417.488 4.425 40 0 HIABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)c2cc(F)ccc21 ZINC000257212252 568779751 /nfs/dbraw/zinc/77/97/51/568779751.db2.gz CCNJVEUYJGMZIV-QFIPXVFZSA-N 1 2 417.488 4.425 40 0 HIABLO COc1c(C)cccc1C[N@@H+]1CCO[C@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257329287 568812877 /nfs/dbraw/zinc/81/28/77/568812877.db2.gz XJEXLFWWUUNYCC-QFIPXVFZSA-N 1 2 419.529 4.123 40 0 HIABLO COc1c(C)cccc1C[N@H+]1CCO[C@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000257329287 568812879 /nfs/dbraw/zinc/81/28/79/568812879.db2.gz XJEXLFWWUUNYCC-QFIPXVFZSA-N 1 2 419.529 4.123 40 0 HIABLO FC(F)(F)Oc1cccc(-c2cc(NCCc3ccccc3)nc(NC3CC3)[nH+]2)c1 ZINC000328997875 568971833 /nfs/dbraw/zinc/97/18/33/568971833.db2.gz JPZIFEYMDITGKU-UHFFFAOYSA-N 1 2 414.431 4.115 40 0 HIABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3)nc(NC3CC3)[nH+]2)c1 ZINC000329039711 568974127 /nfs/dbraw/zinc/97/41/27/568974127.db2.gz RYYMKSVLGVJAMM-UHFFFAOYSA-N 1 2 400.404 4.072 40 0 HIABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(OC)c1 ZINC000329062335 568975045 /nfs/dbraw/zinc/97/50/45/568975045.db2.gz WWSYNDLRITUABR-UHFFFAOYSA-N 1 2 404.514 4.493 40 0 HIABLO Cc1cc(C)cc(OCc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000026531267 569047806 /nfs/dbraw/zinc/04/78/06/569047806.db2.gz HKGJLWXLIRYBCJ-UHFFFAOYSA-N 1 2 404.510 4.433 40 0 HIABLO C[C@@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)CC[C@H]1O ZINC000253601828 569318434 /nfs/dbraw/zinc/31/84/34/569318434.db2.gz FPIOQGZFJSUVQJ-BDJLRTHQSA-N 1 2 404.301 4.048 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@H]2C[N@H+](Cc3cn(CC)nc3C)CCO2)nc1 ZINC000019692370 569346020 /nfs/dbraw/zinc/34/60/20/569346020.db2.gz VKTDNCWPUDYCLI-RUZDIDTESA-N 1 2 420.557 4.169 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@H]2C[N@@H+](Cc3cn(CC)nc3C)CCO2)nc1 ZINC000019692370 569346021 /nfs/dbraw/zinc/34/60/21/569346021.db2.gz VKTDNCWPUDYCLI-RUZDIDTESA-N 1 2 420.557 4.169 40 0 HIABLO Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)cc2)[NH+]2CCOCC2)cc1 ZINC000141541898 569354695 /nfs/dbraw/zinc/35/46/95/569354695.db2.gz RFETYEVCWCFGSW-RUZDIDTESA-N 1 2 421.585 4.035 40 0 HIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c(Br)c1 ZINC000329057158 571308421 /nfs/dbraw/zinc/30/84/21/571308421.db2.gz VUYDQNCTUUVLLU-QGZVFWFLSA-N 1 2 405.340 4.597 40 0 HIABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)c1 ZINC000035425055 291264375 /nfs/dbraw/zinc/26/43/75/291264375.db2.gz XUJPHIWHDCIVQM-IBGZPJMESA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)c1 ZINC000035425055 291264376 /nfs/dbraw/zinc/26/43/76/291264376.db2.gz XUJPHIWHDCIVQM-IBGZPJMESA-N 1 2 414.893 4.147 40 0 biogenic,in-vitro HIABLO Cc1ccccc1[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000020039280 525373690 /nfs/dbraw/zinc/37/36/90/525373690.db2.gz IFADTIFIGKOBTP-VWLOTQADSA-N 1 2 400.522 4.347 40 0 HIABLO CCOC(=O)c1ccccc1Nc1c(C(=O)OCC)c[nH+]c2cc3c(cc21)OCO3 ZINC000001586158 557274481 /nfs/dbraw/zinc/27/44/81/557274481.db2.gz YLSMQPHDPLGGQU-UHFFFAOYSA-N 1 2 408.410 4.061 40 0 HIABLO COc1ccccc1C[N@@H+](Cc1ccc(Sc2ncccn2)o1)C[C@@H]1CCCO1 ZINC000012187582 558346646 /nfs/dbraw/zinc/34/66/46/558346646.db2.gz LTBHSQJFHZRORU-SFHVURJKSA-N 1 2 411.527 4.411 40 0 HIABLO COc1ccccc1C[N@H+](Cc1ccc(Sc2ncccn2)o1)C[C@@H]1CCCO1 ZINC000012187582 558346648 /nfs/dbraw/zinc/34/66/48/558346648.db2.gz LTBHSQJFHZRORU-SFHVURJKSA-N 1 2 411.527 4.411 40 0 HIABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)NCC1(c2cccc(C)c2)CCOCC1 ZINC000019234530 558853843 /nfs/dbraw/zinc/85/38/43/558853843.db2.gz UQMDDTWSMHPZFQ-IBGZPJMESA-N 1 2 405.542 4.154 40 0 HIABLO Cn1ccnc1C(=O)N1CCC[C@@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019291149 558863377 /nfs/dbraw/zinc/86/33/77/558863377.db2.gz ASYXTPBGOBMEFJ-CQSZACIVSA-N 1 2 424.505 4.032 40 0 HIABLO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)s1 ZINC000019447526 558886726 /nfs/dbraw/zinc/88/67/26/558886726.db2.gz AELPNHUJGYANGE-MRXNPFEDSA-N 1 2 417.600 4.372 40 0 HIABLO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)s1 ZINC000019447526 558886727 /nfs/dbraw/zinc/88/67/27/558886727.db2.gz AELPNHUJGYANGE-MRXNPFEDSA-N 1 2 417.600 4.372 40 0 HIABLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)c3cn(C)c4ccccc34)CC1)O2 ZINC000057823013 558890873 /nfs/dbraw/zinc/89/08/73/558890873.db2.gz MYCXHXKSBYDFDV-UHFFFAOYSA-N 1 2 402.494 4.169 40 0 HIABLO COCCOc1cccc([C@@H]2[NH2+][C@H](c3cccnc3OC)Cc3cc(OC)ccc32)c1 ZINC000019593814 558945155 /nfs/dbraw/zinc/94/51/55/558945155.db2.gz TYQGBKHMBQGHNX-ZEQRLZLVSA-N 1 2 420.509 4.100 40 0 HIABLO Cc1[nH+]c2cc(NC(=O)c3cc(-c4cnn(C)c4)no3)ccc2n1C1CCCCC1 ZINC000019664677 558955276 /nfs/dbraw/zinc/95/52/76/558955276.db2.gz VYAXDDMFEOGOLJ-UHFFFAOYSA-N 1 2 404.474 4.491 40 0 HIABLO Nc1ccc(-c2ccc([C@H]3CCCN3C(=O)c3cn4cc(Cl)ccc4n3)nc2)c[nH+]1 ZINC000019688942 558958391 /nfs/dbraw/zinc/95/83/91/558958391.db2.gz XIDDZFCUGOYIFU-LJQANCHMSA-N 1 2 418.888 4.004 40 0 HIABLO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053385 559093340 /nfs/dbraw/zinc/09/33/40/559093340.db2.gz NIKOMCQXBRSYAJ-QGZVFWFLSA-N 1 2 411.571 4.103 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000096315934 559109699 /nfs/dbraw/zinc/10/96/99/559109699.db2.gz RYZGSRGMLSBBOB-LJQANCHMSA-N 1 2 413.472 4.430 40 0 HIABLO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)c1C ZINC000096315934 559109700 /nfs/dbraw/zinc/10/97/00/559109700.db2.gz RYZGSRGMLSBBOB-LJQANCHMSA-N 1 2 413.472 4.430 40 0 HIABLO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289787 560031898 /nfs/dbraw/zinc/03/18/98/560031898.db2.gz FJBVAPFMIZYEBJ-WPFOTENUSA-N 1 2 424.541 4.384 40 0 biogenic,in-vitro HIABLO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289787 560031900 /nfs/dbraw/zinc/03/19/00/560031900.db2.gz FJBVAPFMIZYEBJ-WPFOTENUSA-N 1 2 424.541 4.384 40 0 biogenic,in-vitro HIABLO CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320862 560077813 /nfs/dbraw/zinc/07/78/13/560077813.db2.gz ZBJPKZONOXOXDW-LNLFQRSKSA-N 1 2 421.520 4.319 40 0 biogenic,in-vitro HIABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccccc3)c2)N2NC=NC2=[NH+]1 ZINC000409183137 560688649 /nfs/dbraw/zinc/68/86/49/560688649.db2.gz QEGMCEKSCFWSNI-QFIPXVFZSA-N 1 2 418.497 4.142 40 0 HIABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccccc3)c2)N2NC=[NH+]C2=N1 ZINC000409183137 560688651 /nfs/dbraw/zinc/68/86/51/560688651.db2.gz QEGMCEKSCFWSNI-QFIPXVFZSA-N 1 2 418.497 4.142 40 0 HIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)C)cc3n2)cc1 ZINC000017094087 560868578 /nfs/dbraw/zinc/86/85/78/560868578.db2.gz XKXPMGMSRGWLKH-UHFFFAOYSA-N 1 2 424.574 4.044 40 0 HIABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670780 568494885 /nfs/dbraw/zinc/49/48/85/568494885.db2.gz VRDAWNBFKQPSCN-QFIPXVFZSA-N 1 2 422.552 4.141 40 0 HIABLO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1C(C)C ZINC000223269260 568543532 /nfs/dbraw/zinc/54/35/32/568543532.db2.gz HPVGFBWWNULYMG-LJQANCHMSA-N 1 2 410.558 4.450 40 0 HIABLO CC[N@H+](CCCNC(=O)c1cccc(I)c1)c1ccc(C)cc1 ZINC000224968042 568606644 /nfs/dbraw/zinc/60/66/44/568606644.db2.gz WOOZIZGNVSZRTO-UHFFFAOYSA-N 1 2 422.310 4.246 40 0 HIABLO CC[N@@H+](CCCNC(=O)c1cccc(I)c1)c1ccc(C)cc1 ZINC000224968042 568606646 /nfs/dbraw/zinc/60/66/46/568606646.db2.gz WOOZIZGNVSZRTO-UHFFFAOYSA-N 1 2 422.310 4.246 40 0 HIABLO CCC[C@H]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C[C@H]1Nc1cccc(F)c1 ZINC000257226950 568784062 /nfs/dbraw/zinc/78/40/62/568784062.db2.gz FMYHMBXJDWOZCB-GHTZIAJQSA-N 1 2 408.521 4.454 40 0 HIABLO CCOc1ccc([C@H](c2c(NC(C)=O)sc3c2CCCC3)[NH+]2CCOCC2)cc1 ZINC000026505033 568823935 /nfs/dbraw/zinc/82/39/35/568823935.db2.gz RQIRNEXRMQUGSG-JOCHJYFZSA-N 1 2 414.571 4.406 40 0 HIABLO Brc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328998535 568971899 /nfs/dbraw/zinc/97/18/99/568971899.db2.gz JSBMPHNGARLHAM-UHFFFAOYSA-N 1 2 424.346 4.112 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@@H]2C[N@H+](Cc3cnc(C)s3)CCO2)nc1 ZINC000019692266 569346009 /nfs/dbraw/zinc/34/60/09/569346009.db2.gz MBFMNSJXYMFCTG-QHCPKHFHSA-N 1 2 409.555 4.410 40 0 HIABLO CCOc1ccccc1Cc1ccc([C@@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)nc1 ZINC000019692266 569346010 /nfs/dbraw/zinc/34/60/10/569346010.db2.gz MBFMNSJXYMFCTG-QHCPKHFHSA-N 1 2 409.555 4.410 40 0 HIABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328998061 571305689 /nfs/dbraw/zinc/30/56/89/571305689.db2.gz JRWRMMWQMGBJMC-AWEZNQCLSA-N 1 2 413.319 4.751 40 0 HIABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000096112245 291266618 /nfs/dbraw/zinc/26/66/18/291266618.db2.gz VDHVMTAYSXIYTA-APWZRJJASA-N 1 2 423.410 4.329 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000096112245 291266621 /nfs/dbraw/zinc/26/66/21/291266621.db2.gz VDHVMTAYSXIYTA-APWZRJJASA-N 1 2 423.410 4.329 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000096112245 291266623 /nfs/dbraw/zinc/26/66/23/291266623.db2.gz VDHVMTAYSXIYTA-APWZRJJASA-N 1 2 423.410 4.329 40 0 biogenic,in-vitro HIABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000096112245 291266625 /nfs/dbraw/zinc/26/66/25/291266625.db2.gz VDHVMTAYSXIYTA-APWZRJJASA-N 1 2 423.410 4.329 40 0 biogenic,in-vitro HIABLO O=C(C[N@H+]1CCC[C@@H](O)C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000003193370 132263037 /nfs/dbraw/zinc/26/30/37/132263037.db2.gz XUJBIMTWFDUREJ-CQSZACIVSA-N 1 2 408.445 4.291 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000003193370 132263038 /nfs/dbraw/zinc/26/30/38/132263038.db2.gz XUJBIMTWFDUREJ-CQSZACIVSA-N 1 2 408.445 4.291 40 0 HIABLO Cc1ccc([C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccncc2)cc1C ZINC000019213615 558849325 /nfs/dbraw/zinc/84/93/25/558849325.db2.gz CMCFTDXETKYTHN-RUZDIDTESA-N 1 2 415.537 4.050 40 0 HIABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)NCC1(c2cccc(C)c2)CCOCC1 ZINC000019234531 558853826 /nfs/dbraw/zinc/85/38/26/558853826.db2.gz UQMDDTWSMHPZFQ-LJQANCHMSA-N 1 2 405.542 4.154 40 0 HIABLO COc1cc(C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)cc(OC)c1OC ZINC000055112114 558872965 /nfs/dbraw/zinc/87/29/65/558872965.db2.gz NFLJNJMTLLTUOK-UHFFFAOYSA-N 1 2 411.329 4.341 40 0 HIABLO CCCCn1c2nnc(SCc3cn4c(cccc4C)[nH+]3)n2c2ccccc2c1=O ZINC000058131582 558900607 /nfs/dbraw/zinc/90/06/07/558900607.db2.gz JOSHCDKLNHJUJE-UHFFFAOYSA-N 1 2 418.526 4.093 40 0 HIABLO Cc1noc2nc(C3CCN(C(=O)C[C@@H](C)n4cc[nH+]c4)CC3)cc(C(F)(F)F)c12 ZINC000019564625 558924716 /nfs/dbraw/zinc/92/47/16/558924716.db2.gz GTHXDXMPFFHJBP-GFCCVEGCSA-N 1 2 421.423 4.104 40 0 HIABLO CNc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)[nH+]3)cn2)s1 ZINC000072353112 558949723 /nfs/dbraw/zinc/94/97/23/558949723.db2.gz AKXNHYPPAKODLC-KRWDZBQOSA-N 1 2 408.531 4.313 40 0 HIABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)[nH+]2)C1 ZINC000072353893 558951089 /nfs/dbraw/zinc/95/10/89/558951089.db2.gz XCPHFOQZSGIZPS-JOCHJYFZSA-N 1 2 415.603 4.055 40 0 HIABLO COc1c(C)cccc1C(=O)N1CCC[C@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689309 558958805 /nfs/dbraw/zinc/95/88/05/558958805.db2.gz JOLRBXHRMXXXJR-IBGZPJMESA-N 1 2 402.498 4.063 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)n2)n1 ZINC000072375148 558963680 /nfs/dbraw/zinc/96/36/80/558963680.db2.gz OXIHKMRMNDAWEK-HXUWFJFHSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)n2)n1 ZINC000072375148 558963682 /nfs/dbraw/zinc/96/36/82/558963682.db2.gz OXIHKMRMNDAWEK-HXUWFJFHSA-N 1 2 420.492 4.147 40 0 HIABLO Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000019696710 558964548 /nfs/dbraw/zinc/96/45/48/558964548.db2.gz CPOCJVQQTBJNBE-FQEVSTJZSA-N 1 2 424.566 4.364 40 0 HIABLO Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000019696710 558964551 /nfs/dbraw/zinc/96/45/51/558964551.db2.gz CPOCJVQQTBJNBE-FQEVSTJZSA-N 1 2 424.566 4.364 40 0 HIABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072378925 558967886 /nfs/dbraw/zinc/96/78/86/558967886.db2.gz LPLMGVLGDLYWAN-IBGZPJMESA-N 1 2 406.505 4.479 40 0 HIABLO Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CC[NH+](C)CC5)cc43)cs2)cc1 ZINC000096154495 559099018 /nfs/dbraw/zinc/09/90/18/559099018.db2.gz SKRXZKRVFCWBJK-UHFFFAOYSA-N 1 2 418.522 4.314 40 0 HIABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](CCCc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289422 560032449 /nfs/dbraw/zinc/03/24/49/560032449.db2.gz SSILYJNJNZSLEU-SFTDATJTSA-N 1 2 405.542 4.459 40 0 biogenic,in-vitro HIABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](CCCc4ccccc4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289422 560032450 /nfs/dbraw/zinc/03/24/50/560032450.db2.gz SSILYJNJNZSLEU-SFTDATJTSA-N 1 2 405.542 4.459 40 0 biogenic,in-vitro HIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000893380 560543159 /nfs/dbraw/zinc/54/31/59/560543159.db2.gz HSMPICNBSQDKKA-QFIPXVFZSA-N 1 2 420.561 4.158 40 0 HIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000893382 560543297 /nfs/dbraw/zinc/54/32/97/560543297.db2.gz HSMPICNBSQDKKA-JOCHJYFZSA-N 1 2 420.561 4.158 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc12 ZINC000000894187 560543579 /nfs/dbraw/zinc/54/35/79/560543579.db2.gz JKPKNZVRDWXCEQ-JOCHJYFZSA-N 1 2 420.561 4.212 40 0 HIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000005445972 560737697 /nfs/dbraw/zinc/73/76/97/560737697.db2.gz LAAFHHBNLPPFHU-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000005445972 560737698 /nfs/dbraw/zinc/73/76/98/560737698.db2.gz LAAFHHBNLPPFHU-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020121755 560880886 /nfs/dbraw/zinc/88/08/86/560880886.db2.gz CZPWMGTWFCRINP-HSZRJFAPSA-N 1 2 402.546 4.008 40 0 HIABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000057688530 568494331 /nfs/dbraw/zinc/49/43/31/568494331.db2.gz FXYVNKURSPBTAZ-UHFFFAOYSA-N 1 2 424.545 4.327 40 0 HIABLO CCC[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057671501 568495238 /nfs/dbraw/zinc/49/52/38/568495238.db2.gz FNVWKIDGIOSHNE-OAQYLSRUSA-N 1 2 410.591 4.063 40 0 HIABLO CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222885295 568529577 /nfs/dbraw/zinc/52/95/77/568529577.db2.gz KMENFNXZVZIPCC-YADHBBJMSA-N 1 2 405.571 4.321 40 0 HIABLO COc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1C(C)C ZINC000223269310 568543562 /nfs/dbraw/zinc/54/35/62/568543562.db2.gz HPVGFBWWNULYMG-IBGZPJMESA-N 1 2 410.558 4.450 40 0 HIABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COCC(C)C ZINC000224455936 568581743 /nfs/dbraw/zinc/58/17/43/568581743.db2.gz CLWLXQDIQWDJAW-JXMROGBWSA-N 1 2 422.569 4.339 40 0 HIABLO O=S(=O)(Cc1cccc(Br)c1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224977374 568607127 /nfs/dbraw/zinc/60/71/27/568607127.db2.gz PAKZNTJECQJELM-UHFFFAOYSA-N 1 2 409.349 4.381 40 0 HIABLO O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225363175 568631595 /nfs/dbraw/zinc/63/15/95/568631595.db2.gz YEEHMFNEJRQEAX-UHFFFAOYSA-N 1 2 407.341 4.075 40 0 HIABLO CO[C@H]1CC[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 ZINC000257209634 568778942 /nfs/dbraw/zinc/77/89/42/568778942.db2.gz BRFQJAYXIJOSRU-JTHBVZDNSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)C[C@]12CCCO2 ZINC000257209634 568778943 /nfs/dbraw/zinc/77/89/43/568778943.db2.gz BRFQJAYXIJOSRU-JTHBVZDNSA-N 1 2 410.539 4.086 40 0 HIABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)c2cc(F)ccc21 ZINC000257212251 568779778 /nfs/dbraw/zinc/77/97/78/568779778.db2.gz CCNJVEUYJGMZIV-JOCHJYFZSA-N 1 2 417.488 4.425 40 0 HIABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)c2cc(F)ccc21 ZINC000257212251 568779780 /nfs/dbraw/zinc/77/97/80/568779780.db2.gz CCNJVEUYJGMZIV-JOCHJYFZSA-N 1 2 417.488 4.425 40 0 HIABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000257220829 568782288 /nfs/dbraw/zinc/78/22/88/568782288.db2.gz DMISCMPGYWLQLN-LADGPHEKSA-N 1 2 414.521 4.003 40 0 HIABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000257220829 568782289 /nfs/dbraw/zinc/78/22/89/568782289.db2.gz DMISCMPGYWLQLN-LADGPHEKSA-N 1 2 414.521 4.003 40 0 HIABLO Cc1nc(NC(=O)C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)sc1C ZINC000257246547 568789351 /nfs/dbraw/zinc/78/93/51/568789351.db2.gz IUQMFRQJOYPONL-UHFFFAOYSA-N 1 2 422.558 4.112 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1cccnc1Cl ZINC000257288701 568801048 /nfs/dbraw/zinc/80/10/48/568801048.db2.gz PVFRQQQRXIXVGL-UHFFFAOYSA-N 1 2 422.920 4.087 40 0 HIABLO COc1ccccc1CCCNc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N(C)C)n1 ZINC000257289225 568801271 /nfs/dbraw/zinc/80/12/71/568801271.db2.gz PXQGHYAQUKSRNA-UHFFFAOYSA-N 1 2 422.577 4.294 40 0 HIABLO CO[C@H]1C[N@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@]12CCCO2 ZINC000257293067 568802503 /nfs/dbraw/zinc/80/25/03/568802503.db2.gz QNZGBIUXYAAOKX-JTHBVZDNSA-N 1 2 410.539 4.086 40 0 HIABLO CO[C@H]1C[N@@H+](CC(=O)N2c3ccccc3Sc3ccccc32)CC[C@]12CCCO2 ZINC000257293067 568802504 /nfs/dbraw/zinc/80/25/04/568802504.db2.gz QNZGBIUXYAAOKX-JTHBVZDNSA-N 1 2 410.539 4.086 40 0 HIABLO COc1cccc(OC)c1CN1CCO[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000257314617 568808737 /nfs/dbraw/zinc/80/87/37/568808737.db2.gz UXSNWXIGHDDGSK-HSZRJFAPSA-N 1 2 420.513 4.119 40 0 HIABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2cccc(F)c2)CCCC1 ZINC000257325772 568812015 /nfs/dbraw/zinc/81/20/15/568812015.db2.gz WUJJQODBEZFDQQ-HXUWFJFHSA-N 1 2 421.516 4.003 40 0 HIABLO CNc1nc(Nc2cccc(SC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328979185 568971007 /nfs/dbraw/zinc/97/10/07/568971007.db2.gz GDZNGZRKHLLERE-UHFFFAOYSA-N 1 2 406.433 4.393 40 0 HIABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329047162 568974532 /nfs/dbraw/zinc/97/45/32/568974532.db2.gz UEYCNQPFVGCHBO-LBPRGKRZSA-N 1 2 422.838 4.196 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000229845659 569287143 /nfs/dbraw/zinc/28/71/43/569287143.db2.gz FIFIQUODPRGWMZ-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc12 ZINC000229845659 569287144 /nfs/dbraw/zinc/28/71/44/569287144.db2.gz FIFIQUODPRGWMZ-IVZQSRNASA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000008433913 569340981 /nfs/dbraw/zinc/34/09/81/569340981.db2.gz DIKUMGBHRRVSGK-UHFFFAOYSA-N 1 2 402.494 4.179 40 0 HIABLO O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000019402047 569345474 /nfs/dbraw/zinc/34/54/74/569345474.db2.gz GNWXUNFMLJGDBH-DENIHFKCSA-N 1 2 406.917 4.252 40 0 HIABLO O=C(c1cnc2ccccc2c1O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032641337 569350422 /nfs/dbraw/zinc/35/04/22/569350422.db2.gz RDMGMYVUHUNEDC-UHFFFAOYSA-N 1 2 423.516 4.076 40 0 HIABLO O=C(Nc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675870 291269823 /nfs/dbraw/zinc/26/98/23/291269823.db2.gz LZVFPQJLTKGLHB-SFHVURJKSA-N 1 2 420.860 4.445 40 0 biogenic,in-vitro HIABLO O=C(Nc1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675870 291269824 /nfs/dbraw/zinc/26/98/24/291269824.db2.gz LZVFPQJLTKGLHB-SFHVURJKSA-N 1 2 420.860 4.445 40 0 biogenic,in-vitro HIABLO COc1ccc2nc(Cl)c(C[NH2+]Cc3ccccc3F)c(N3CCOCC3)c2c1 ZINC000012186172 132356173 /nfs/dbraw/zinc/35/61/73/132356173.db2.gz BGYZATZYIBAUNA-UHFFFAOYSA-N 1 2 415.896 4.162 40 0 HIABLO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(O)cc2)[NH+]2CCOCC2)c1C ZINC000020192414 558756186 /nfs/dbraw/zinc/75/61/86/558756186.db2.gz HNWBUBUODLODSA-HXUWFJFHSA-N 1 2 412.511 4.337 40 0 HIABLO Cc1cccc(C2(CNC(=O)CCn3cc[nH+]c3-c3ccccc3)CCOCC2)c1 ZINC000019234544 558853863 /nfs/dbraw/zinc/85/38/63/558853863.db2.gz ISIPCSHDBDXBGY-UHFFFAOYSA-N 1 2 403.526 4.113 40 0 HIABLO O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000054569353 558868433 /nfs/dbraw/zinc/86/84/33/558868433.db2.gz QHNSKKCBCHQJPF-QPJJXVBHSA-N 1 2 419.500 4.271 40 0 HIABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373585 558880727 /nfs/dbraw/zinc/88/07/27/558880727.db2.gz OPKIQSCOPXNZON-UHFFFAOYSA-N 1 2 410.477 4.183 40 0 HIABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373585 558880730 /nfs/dbraw/zinc/88/07/30/558880730.db2.gz OPKIQSCOPXNZON-UHFFFAOYSA-N 1 2 410.477 4.183 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1 ZINC000072349547 558946355 /nfs/dbraw/zinc/94/63/55/558946355.db2.gz PQHBSUGTBYJVEH-LJQANCHMSA-N 1 2 404.489 4.025 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)Nc1ccccn1 ZINC000072349547 558946357 /nfs/dbraw/zinc/94/63/57/558946357.db2.gz PQHBSUGTBYJVEH-LJQANCHMSA-N 1 2 404.489 4.025 40 0 HIABLO CCn1nc([C@H](C)C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c2ccccc2c1=O ZINC000019660598 558951838 /nfs/dbraw/zinc/95/18/38/558951838.db2.gz LYOWIBIKWIKIJW-AWEZNQCLSA-N 1 2 417.513 4.332 40 0 HIABLO Cc1[nH+]c2cc(NC(=O)c3nc4ccccc4n(C)c3=O)ccc2n1C1CCCCC1 ZINC000019666353 558956210 /nfs/dbraw/zinc/95/62/10/558956210.db2.gz IUEOZFNIMXJYSY-UHFFFAOYSA-N 1 2 415.497 4.349 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370222 558956499 /nfs/dbraw/zinc/95/64/99/558956499.db2.gz OLYQGCAYAWYTQB-LJQANCHMSA-N 1 2 403.507 4.122 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370222 558956501 /nfs/dbraw/zinc/95/65/01/558956501.db2.gz OLYQGCAYAWYTQB-LJQANCHMSA-N 1 2 403.507 4.122 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370221 558956609 /nfs/dbraw/zinc/95/66/09/558956609.db2.gz OLYQGCAYAWYTQB-IBGZPJMESA-N 1 2 403.507 4.122 40 0 HIABLO NC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370221 558956611 /nfs/dbraw/zinc/95/66/11/558956611.db2.gz OLYQGCAYAWYTQB-IBGZPJMESA-N 1 2 403.507 4.122 40 0 HIABLO CCn1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c1C ZINC000072372858 558960670 /nfs/dbraw/zinc/96/06/70/558960670.db2.gz RNTMNAIYEXRBGY-JOCHJYFZSA-N 1 2 408.594 4.200 40 0 HIABLO CCn1ncc(C[N@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c1C ZINC000072372858 558960672 /nfs/dbraw/zinc/96/06/72/558960672.db2.gz RNTMNAIYEXRBGY-JOCHJYFZSA-N 1 2 408.594 4.200 40 0 HIABLO COc1ccc(CNc2cc([C@H](C)Cn3nc(C)c(C)c3C)[nH+]c(C)n2)cc1OC ZINC000019717903 558981034 /nfs/dbraw/zinc/98/10/34/558981034.db2.gz SKFVNKUUJHISKN-CQSZACIVSA-N 1 2 409.534 4.340 40 0 HIABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096037046 559090936 /nfs/dbraw/zinc/09/09/36/559090936.db2.gz PEFGBXCRVOWILC-UHFFFAOYSA-N 1 2 406.555 4.079 40 0 HIABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096037046 559090937 /nfs/dbraw/zinc/09/09/37/559090937.db2.gz PEFGBXCRVOWILC-UHFFFAOYSA-N 1 2 406.555 4.079 40 0 HIABLO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053214 559093085 /nfs/dbraw/zinc/09/30/85/559093085.db2.gz UNKDKXOAQRIVSA-SFHVURJKSA-N 1 2 411.571 4.057 40 0 HIABLO COc1cccc(-c2cccc3c([C@@H]4CN(Cc5c(C)noc5C)CCO4)[nH+]cn32)c1 ZINC000096267332 559108072 /nfs/dbraw/zinc/10/80/72/559108072.db2.gz PIZGIORCBLNHAX-QHCPKHFHSA-N 1 2 418.497 4.188 40 0 HIABLO Cc1nc(Nc2cc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)sc1C ZINC000585292219 559124718 /nfs/dbraw/zinc/12/47/18/559124718.db2.gz YKYJLESKFOGFSH-LKGOPFMKSA-N 1 2 423.546 4.092 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000889892 560542098 /nfs/dbraw/zinc/54/20/98/560542098.db2.gz SBTVMESSHMQYSJ-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000889892 560542099 /nfs/dbraw/zinc/54/20/99/560542099.db2.gz SBTVMESSHMQYSJ-NYHFZMIOSA-N 1 2 420.561 4.068 40 0 HIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000000892521 560543384 /nfs/dbraw/zinc/54/33/84/560543384.db2.gz ZWGSCYDEHJQSIT-JOCHJYFZSA-N 1 2 420.561 4.150 40 0 HIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000000894464 560543597 /nfs/dbraw/zinc/54/35/97/560543597.db2.gz IYQBMNZAFSXSKQ-JOCHJYFZSA-N 1 2 420.561 4.068 40 0 HIABLO CC(=O)c1cccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3CC(C)C)CC2)c1 ZINC000001370978 560577833 /nfs/dbraw/zinc/57/78/33/560577833.db2.gz UWZOLLACRAZIAB-UHFFFAOYSA-N 1 2 419.529 4.249 40 0 HIABLO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)Nc1cc(Cl)ccc1Cl ZINC000001380808 560582982 /nfs/dbraw/zinc/58/29/82/560582982.db2.gz OJPDSOIKPFMUTR-UHFFFAOYSA-N 1 2 422.291 4.153 40 0 HIABLO Cc1ccc(Cn2nnnc2C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000004966598 560621705 /nfs/dbraw/zinc/62/17/05/560621705.db2.gz DLCDWBTUVHDBRG-UHFFFAOYSA-N 1 2 404.543 4.019 40 0 HIABLO COc1ccc(C[N@@H+](Cc2cc3c(cc2Cl)OCO3)C[C@@H]2CCCO2)cc1OC ZINC000013994176 560831621 /nfs/dbraw/zinc/83/16/21/560831621.db2.gz BEHYHENNDJCMGB-KRWDZBQOSA-N 1 2 419.905 4.267 40 0 HIABLO COc1ccc(C[N@H+](Cc2cc3c(cc2Cl)OCO3)C[C@@H]2CCCO2)cc1OC ZINC000013994176 560831623 /nfs/dbraw/zinc/83/16/23/560831623.db2.gz BEHYHENNDJCMGB-KRWDZBQOSA-N 1 2 419.905 4.267 40 0 HIABLO Cc1ccc([C@@H](c2nnnn2C(C)C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000020140422 560881347 /nfs/dbraw/zinc/88/13/47/560881347.db2.gz DKVBQTHKPGRHCM-QHCPKHFHSA-N 1 2 404.562 4.091 40 0 HIABLO O=C(CSCc1ccccc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238242 560883131 /nfs/dbraw/zinc/88/31/31/560883131.db2.gz KGSWMIUVXKKEOB-UHFFFAOYSA-N 1 2 419.388 4.027 40 0 HIABLO CCCC[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057671205 568495123 /nfs/dbraw/zinc/49/51/23/568495123.db2.gz YYDVPFILMMKFQC-HXUWFJFHSA-N 1 2 414.941 4.021 40 0 HIABLO CCOCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OCC ZINC000224701454 568592806 /nfs/dbraw/zinc/59/28/06/568592806.db2.gz NJLZOKKSTGNMHG-DHZHZOJOSA-N 1 2 408.542 4.093 40 0 HIABLO COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3c3nnc(-c4ccccn4)o3)ccc2c1 ZINC000257285822 568800162 /nfs/dbraw/zinc/80/01/62/568800162.db2.gz PJAFIMYCELKAEK-OAQYLSRUSA-N 1 2 401.470 4.416 40 0 HIABLO COc1ccc2nc(C[N@H+]3CCCC[C@@H]3c3nnc(-c4ccccn4)o3)ccc2c1 ZINC000257285822 568800164 /nfs/dbraw/zinc/80/01/64/568800164.db2.gz PJAFIMYCELKAEK-OAQYLSRUSA-N 1 2 401.470 4.416 40 0 HIABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cn[nH]c4C)CC3)CO[C@H]21 ZINC000257289493 568801254 /nfs/dbraw/zinc/80/12/54/568801254.db2.gz PYWWXHSJBFDBNH-PZJWPPBQSA-N 1 2 411.546 4.258 40 0 HIABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1ccc(F)cc1F ZINC000257327483 568812528 /nfs/dbraw/zinc/81/25/28/568812528.db2.gz XBMZZMNTRLAGDA-UHFFFAOYSA-N 1 2 423.467 4.317 40 0 HIABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1OC ZINC000328967553 568970313 /nfs/dbraw/zinc/97/03/13/568970313.db2.gz CVEZOWFADNUDTC-UHFFFAOYSA-N 1 2 404.514 4.493 40 0 HIABLO CC[C@@H](C)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329013970 568972629 /nfs/dbraw/zinc/97/26/29/568972629.db2.gz MSYUNWMRIFPPIL-CQSZACIVSA-N 1 2 417.435 4.104 40 0 HIABLO Cc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000008433906 569340994 /nfs/dbraw/zinc/34/09/94/569340994.db2.gz AVLHQWQTMOZRLW-UHFFFAOYSA-N 1 2 416.521 4.488 40 0 HIABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@@H](c4c5ccccc5sc4C(N)=O)C3)ccc2O1 ZINC000019697582 569346896 /nfs/dbraw/zinc/34/68/96/569346896.db2.gz YKVRKRYNYARLHB-LJQANCHMSA-N 1 2 422.550 4.287 40 0 HIABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@@H](c4c5ccccc5sc4C(N)=O)C3)ccc2O1 ZINC000019697582 569346897 /nfs/dbraw/zinc/34/68/97/569346897.db2.gz YKVRKRYNYARLHB-LJQANCHMSA-N 1 2 422.550 4.287 40 0 HIABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)Nc3ccccc3)n2)c1 ZINC000015675888 291268462 /nfs/dbraw/zinc/26/84/62/291268462.db2.gz MKXAFMKPFWKHQB-IBGZPJMESA-N 1 2 400.442 4.100 40 0 biogenic,in-vitro HIABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)Nc3ccccc3)n2)c1 ZINC000015675888 291268466 /nfs/dbraw/zinc/26/84/66/291268466.db2.gz MKXAFMKPFWKHQB-IBGZPJMESA-N 1 2 400.442 4.100 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccc2Cl)Oc2ccccc2N1Cc1cccnc1 ZINC000096111826 291270306 /nfs/dbraw/zinc/27/03/06/291270306.db2.gz DPIPKSHWCNBLAL-UGKGYDQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccc2Cl)Oc2ccccc2N1Cc1cccnc1 ZINC000096111826 291270308 /nfs/dbraw/zinc/27/03/08/291270308.db2.gz DPIPKSHWCNBLAL-UGKGYDQZSA-N 1 2 419.912 4.304 40 0 biogenic,in-vitro HIABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)nc1C ZINC000019753398 558272750 /nfs/dbraw/zinc/27/27/50/558272750.db2.gz NQUMGEZOQOYAAD-NRFANRHFSA-N 1 2 417.513 4.168 40 0 HIABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2cccnc2)nc1C ZINC000019753398 558272753 /nfs/dbraw/zinc/27/27/53/558272753.db2.gz NQUMGEZOQOYAAD-NRFANRHFSA-N 1 2 417.513 4.168 40 0 HIABLO COc1cc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1OC ZINC000019120887 558843112 /nfs/dbraw/zinc/84/31/12/558843112.db2.gz ANMRAHWNGGXVCY-KRWDZBQOSA-N 1 2 412.490 4.126 40 0 HIABLO COc1cc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1OC ZINC000019120887 558843114 /nfs/dbraw/zinc/84/31/14/558843114.db2.gz ANMRAHWNGGXVCY-KRWDZBQOSA-N 1 2 412.490 4.126 40 0 HIABLO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000054277336 558867203 /nfs/dbraw/zinc/86/72/03/558867203.db2.gz JIRUENSINIWMIK-UHFFFAOYSA-N 1 2 401.510 4.123 40 0 HIABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000019453707 558890970 /nfs/dbraw/zinc/89/09/70/558890970.db2.gz VJXUDQYYGBLWEG-UHFFFAOYSA-N 1 2 420.479 4.014 40 0 HIABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000019453707 558890972 /nfs/dbraw/zinc/89/09/72/558890972.db2.gz VJXUDQYYGBLWEG-UHFFFAOYSA-N 1 2 420.479 4.014 40 0 HIABLO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000019568604 558927729 /nfs/dbraw/zinc/92/77/29/558927729.db2.gz NKHAKOYOOGDBSS-KGLIPLIRSA-N 1 2 421.423 4.104 40 0 HIABLO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)n1 ZINC000061620422 558945594 /nfs/dbraw/zinc/94/55/94/558945594.db2.gz HFQZIZLNBGRAAJ-RMKNXTFCSA-N 1 2 414.553 4.019 40 0 HIABLO COc1cccc(CC(=O)N2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c1 ZINC000072353315 558950126 /nfs/dbraw/zinc/95/01/26/558950126.db2.gz YQAGSTRWISQKOK-FQEVSTJZSA-N 1 2 416.525 4.486 40 0 HIABLO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072359420 558955136 /nfs/dbraw/zinc/95/51/36/558955136.db2.gz ZMNZSICIYCUEDM-OAHLLOKOSA-N 1 2 413.934 4.072 40 0 HIABLO O=C(C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072359420 558955138 /nfs/dbraw/zinc/95/51/38/558955138.db2.gz ZMNZSICIYCUEDM-OAHLLOKOSA-N 1 2 413.934 4.072 40 0 HIABLO Cc1nc(N[C@H](C)COc2ccc(Cl)cc2)cc(Cn2nnc3ccccc32)[nH+]1 ZINC000072373306 558961122 /nfs/dbraw/zinc/96/11/22/558961122.db2.gz JCMUBVSNNKKFQP-CQSZACIVSA-N 1 2 408.893 4.111 40 0 HIABLO CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(O)CC4)cc3)cc2c1 ZINC000072396145 558975247 /nfs/dbraw/zinc/97/52/47/558975247.db2.gz SEWDOFACEGWEAT-UHFFFAOYSA-N 1 2 405.542 4.399 40 0 HIABLO CC(C)[C@H]([NH2+]Cc1cccc(F)c1F)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1 ZINC000100769466 559140217 /nfs/dbraw/zinc/14/02/17/559140217.db2.gz GYVDGLAULIOGGH-QFIPXVFZSA-N 1 2 416.472 4.094 40 0 HIABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257262561 559284825 /nfs/dbraw/zinc/28/48/25/559284825.db2.gz LLXOZBPBWRFEMZ-HXUWFJFHSA-N 1 2 415.493 4.009 40 0 HIABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514288478 560035129 /nfs/dbraw/zinc/03/51/29/560035129.db2.gz FVMDCXVHQGUIRS-KBPBESRZSA-N 1 2 409.452 4.235 40 0 biogenic,in-vitro HIABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCC(F)(F)CC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514288478 560035131 /nfs/dbraw/zinc/03/51/31/560035131.db2.gz FVMDCXVHQGUIRS-KBPBESRZSA-N 1 2 409.452 4.235 40 0 biogenic,in-vitro HIABLO c1ccc(CC2CC[NH+]([C@@H](c3nnnn3Cc3ccccc3)c3ccncc3)CC2)cc1 ZINC000004925532 560618743 /nfs/dbraw/zinc/61/87/43/560618743.db2.gz DCHNIWDRZQBBEG-RUZDIDTESA-N 1 2 424.552 4.161 40 0 HIABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)NC3CCCC3)CC2)cc1 ZINC000017090387 560865304 /nfs/dbraw/zinc/86/53/04/560865304.db2.gz FVTOIKMMRIKHEO-UHFFFAOYSA-N 1 2 415.553 4.489 40 0 HIABLO CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000222839991 568527974 /nfs/dbraw/zinc/52/79/74/568527974.db2.gz GFFYONZTTGSRSA-YADHBBJMSA-N 1 2 405.571 4.319 40 0 HIABLO C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000222853969 568528551 /nfs/dbraw/zinc/52/85/51/568528551.db2.gz NABJBEVQUFWQNH-OGECGYFKSA-N 1 2 404.554 4.190 40 0 HIABLO Cc1ccc([C@H](C)[NH+]2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1C ZINC000026417035 568547795 /nfs/dbraw/zinc/54/77/95/568547795.db2.gz WDURBHVIXZMZRK-SFHVURJKSA-N 1 2 406.979 4.333 40 0 HIABLO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225339340 568630388 /nfs/dbraw/zinc/63/03/88/568630388.db2.gz OKYKEMFRCXJMFW-UHFFFAOYSA-N 1 2 407.341 4.075 40 0 HIABLO Cc1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000225453407 568639120 /nfs/dbraw/zinc/63/91/20/568639120.db2.gz GRXMQRHDIAGTIO-UHFFFAOYSA-N 1 2 401.333 4.430 40 0 HIABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257212738 568779733 /nfs/dbraw/zinc/77/97/33/568779733.db2.gz CESMMSQUGZPKRA-NRFANRHFSA-N 1 2 408.477 4.250 40 0 HIABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 ZINC000257212738 568779734 /nfs/dbraw/zinc/77/97/34/568779734.db2.gz CESMMSQUGZPKRA-NRFANRHFSA-N 1 2 408.477 4.250 40 0 HIABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 ZINC000257261688 568793337 /nfs/dbraw/zinc/79/33/37/568793337.db2.gz LIKORPAHSWKAJI-UHFFFAOYSA-N 1 2 419.504 4.486 40 0 HIABLO CNc1cc([C@H]2CCCN2C(=O)c2cccnc2Nc2ccc(OC)cc2)cc[nH+]1 ZINC000257288135 568800902 /nfs/dbraw/zinc/80/09/02/568800902.db2.gz PSZULTRTVQVHIV-HXUWFJFHSA-N 1 2 403.486 4.248 40 0 HIABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)nc1 ZINC000257308763 568807188 /nfs/dbraw/zinc/80/71/88/568807188.db2.gz TXZLCLUMPWMHCJ-OAQYLSRUSA-N 1 2 404.518 4.016 40 0 HIABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)c(C)n1 ZINC000257312162 568807909 /nfs/dbraw/zinc/80/79/09/568807909.db2.gz UMSSXYWJXDLRDR-VWLOTQADSA-N 1 2 420.557 4.088 40 0 HIABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)c(C)n1 ZINC000257312162 568807911 /nfs/dbraw/zinc/80/79/11/568807911.db2.gz UMSSXYWJXDLRDR-VWLOTQADSA-N 1 2 420.557 4.088 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257338099 568815385 /nfs/dbraw/zinc/81/53/85/568815385.db2.gz YVUZQYZXEBMYHH-QFIPXVFZSA-N 1 2 418.476 4.118 40 0 HIABLO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257338099 568815387 /nfs/dbraw/zinc/81/53/87/568815387.db2.gz YVUZQYZXEBMYHH-QFIPXVFZSA-N 1 2 418.476 4.118 40 0 HIABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328965685 568970023 /nfs/dbraw/zinc/97/00/23/568970023.db2.gz CFFTZQDXSNKDKV-AWEZNQCLSA-N 1 2 418.419 4.887 40 0 HIABLO Brc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCC2)n1 ZINC000328987618 568971471 /nfs/dbraw/zinc/97/14/71/568971471.db2.gz IBTYETNXMGSHOK-UHFFFAOYSA-N 1 2 424.346 4.112 40 0 HIABLO CCNc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008154 568972316 /nfs/dbraw/zinc/97/23/16/568972316.db2.gz LQNHGRYCVDPRPP-UHFFFAOYSA-N 1 2 406.383 4.069 40 0 HIABLO Brc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329067297 568975493 /nfs/dbraw/zinc/97/54/93/568975493.db2.gz YHODJUNJWOXQAF-UHFFFAOYSA-N 1 2 424.346 4.112 40 0 HIABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1C(F)(F)F ZINC000329070907 568975773 /nfs/dbraw/zinc/97/57/73/568975773.db2.gz ZLBISBYDBSQWKK-UHFFFAOYSA-N 1 2 400.404 4.333 40 0 HIABLO