smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCC[N@@H+]4CC3)c2-c2ccncc2)cc1 ZINC000000590353 210250347 /nfs/dbraw/zinc/25/03/47/210250347.db2.gz KVBWUPVGVUIAIX-FQEVSTJZSA-N 1 0 359.448 5.134 1 0 FKAFRO O=C(CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000000597843 219304703 /nfs/dbraw/zinc/30/47/03/219304703.db2.gz MHVQZSQFNIXABK-UHFFFAOYSA-N 1 0 360.284 5.356 1 0 FKAFRO Clc1ccc(-c2cc(C3CC[NH+](Cc4ccccc4)CC3)[nH]n2)cc1 ZINC000000837042 210279244 /nfs/dbraw/zinc/27/92/44/210279244.db2.gz VCKOBAOVBZHUOW-UHFFFAOYSA-N 1 0 351.881 5.110 1 0 FKAFRO Fc1ccc(-c2[nH]cc(C3=C[C@H]4CCC[N@@H+]4CC3)c2-c2ccncc2)cc1 ZINC000001493739 210356862 /nfs/dbraw/zinc/35/68/62/210356862.db2.gz KVBWUPVGVUIAIX-HXUWFJFHSA-N 1 0 359.448 5.134 1 0 FKAFRO COc1ccc(NC(=[NH2+])Nc2ccc3c4c(cccc42)CC3)c2ccccc12 ZINC000001539267 210359258 /nfs/dbraw/zinc/35/92/58/210359258.db2.gz AZZRFSWIWLKNLQ-UHFFFAOYSA-N 1 0 367.452 5.559 1 0 FKAFRO COc1cccc(-c2ccc(/C=C\C[NH+]3CCCCCC3)cc2Cl)c1 ZINC000001550016 206888137 /nfs/dbraw/zinc/88/81/37/206888137.db2.gz ZDPINFKDQWCRTF-FPLPWBNLSA-N 1 0 355.909 5.905 1 0 FKAFRO CCCC[NH+](CCCC)C[C@H](O)c1ccc2cc(Cl)cc(Cl)c2n1 ZINC000001606184 204013427 /nfs/dbraw/zinc/01/34/27/204013427.db2.gz BXGKQBBUTRQTOV-SFHVURJKSA-N 1 0 369.336 5.477 1 0 FKAFRO CC[C@@]12CCC[N@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3n(C)c1CC2 ZINC000001630796 210364710 /nfs/dbraw/zinc/36/47/10/210364710.db2.gz AYTQCCBUFYJHMJ-RPBOFIJWSA-N 1 0 358.529 5.858 1 0 FKAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000001660248 210363707 /nfs/dbraw/zinc/36/37/07/210363707.db2.gz OCVGKOKAQNBCSV-SZPZYZBQSA-N 1 0 369.455 5.254 1 0 FKAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000001660259 204016677 /nfs/dbraw/zinc/01/66/77/204016677.db2.gz USTUNSNQMDWSMK-WKRVNPTQSA-N 1 0 371.471 5.334 1 0 FKAFRO c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001669268 132382335 /nfs/dbraw/zinc/38/23/35/132382335.db2.gz GZPPTPXSBCSPFO-ZWKOTPCHSA-N 1 0 350.531 5.554 1 0 FKAFRO Cc1c(-c2ccc(OCCC[NH+]3CCCCC3)cc2C)cn2ccccc12 ZINC000001909688 204022452 /nfs/dbraw/zinc/02/24/52/204022452.db2.gz OBLSNCNPUWHPQK-UHFFFAOYSA-N 1 0 362.517 5.478 1 0 FKAFRO CCc1c(-c2ccc(OCCC[NH+]3CCCCC3)cc2)cn2ccccc12 ZINC000001909698 210374965 /nfs/dbraw/zinc/37/49/65/210374965.db2.gz UUZOHNIUYVKMHS-UHFFFAOYSA-N 1 0 362.517 5.424 1 0 FKAFRO Nc1c2ccccc2nc2c1[C@H]([NH+]1CCC(c3ccccc3)CC1)CCC2 ZINC000001913912 206899051 /nfs/dbraw/zinc/89/90/51/206899051.db2.gz PGVCHVAHRSNQMJ-JOCHJYFZSA-N 1 0 357.501 5.074 1 0 FKAFRO CCCCN(CC)c1cc(C)[nH+]c2c1cccc2-c1c(C)cc(C)cc1C ZINC000001996666 210376550 /nfs/dbraw/zinc/37/65/50/210376550.db2.gz YLBFOSKJJOYRAY-UHFFFAOYSA-N 1 0 360.545 6.762 1 0 FKAFRO C[NH+](C)Cc1c2cccc3c2n(c1-c1ccccc1)-c1ccccc1CC3 ZINC000002001846 210377443 /nfs/dbraw/zinc/37/74/43/210377443.db2.gz LOCRWEKRIBPWKR-UHFFFAOYSA-N 1 0 352.481 5.458 1 0 FKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc2ccccc2c2ccsc21 ZINC000002008244 204023236 /nfs/dbraw/zinc/02/32/36/204023236.db2.gz ZVUGFVRUENWPOO-OAQYLSRUSA-N 1 0 355.547 5.990 1 0 FKAFRO CC[NH+](CC)C(C)(C)CNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 ZINC000002014043 204023824 /nfs/dbraw/zinc/02/38/24/204023824.db2.gz SFUQGDZOLMVMOP-UHFFFAOYSA-N 1 0 374.532 5.343 1 0 FKAFRO CN1Cc2ccccc2[C@@H](c2ccccc2)[NH+]=C1CCc1ccc(Cl)cc1 ZINC000003779575 206988542 /nfs/dbraw/zinc/98/85/42/206988542.db2.gz ZMGJMFUZMUYSJM-XMMPIXPASA-N 1 0 374.915 5.906 1 0 FKAFRO FC(F)(F)c1ccccc1-c1nc2ccccc2c(Nc2cc[nH+]cc2)n1 ZINC000004258539 204130353 /nfs/dbraw/zinc/13/03/53/204130353.db2.gz KEOSJTIYNSQYET-UHFFFAOYSA-N 1 0 366.346 5.454 1 0 FKAFRO C[NH+](C)CCc1c(-c2ccccc2)c2cccc3c2n1-c1ccccc1CC3 ZINC000005317756 204202135 /nfs/dbraw/zinc/20/21/35/204202135.db2.gz XSJGUSVLDONBPZ-UHFFFAOYSA-N 1 0 366.508 5.500 1 0 FKAFRO Clc1ccc(C2=C[C@H](c3ccccc3)N3C(=[NH+][C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832809 207119337 /nfs/dbraw/zinc/11/93/37/207119337.db2.gz UJRXKHRJJKJIQL-SESVDKBCSA-N 1 0 363.892 5.008 1 0 FKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(/C=C/C3CCCCC3)c2c1 ZINC000005929858 210647410 /nfs/dbraw/zinc/64/74/10/210647410.db2.gz ZLGJEKZBEBWUKB-SXSDINLZSA-N 1 0 367.537 5.376 1 0 FKAFRO C[C@H](CCC[NH+](C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036366 560204639 /nfs/dbraw/zinc/20/46/39/560204639.db2.gz LJQDDVJEZIEHNY-FHNVJLOUSA-N 1 0 373.669 7.013 1 0 in-vitro FKAFRO CC[C@H](c1ccccc1)[C@@H](c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000006358714 207138348 /nfs/dbraw/zinc/13/83/48/207138348.db2.gz YUFAHBUWIVNVNJ-FTJBHMTQSA-N 1 0 373.540 5.953 1 0 FKAFRO S=C(Nc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)s1 ZINC000006535201 204251693 /nfs/dbraw/zinc/25/16/93/204251693.db2.gz ADTDVXWCGNHHME-UHFFFAOYSA-N 1 0 350.940 5.175 1 0 FKAFRO Clc1ccc2[nH]cc([C@H]3Nc4ccc(Cl)cc4[C@H]4[NH2+]CC[C@H]43)c2c1 ZINC000006567458 207146245 /nfs/dbraw/zinc/14/62/45/207146245.db2.gz LRXPVHXBVVJXRU-HQOQDVMHSA-N 1 0 358.272 5.292 1 0 FKAFRO Clc1ccc2[nH]cc([C@@H]3Nc4ccc(Cl)cc4[C@H]4[NH2+]CC[C@H]43)c2c1 ZINC000006567463 204255184 /nfs/dbraw/zinc/25/51/84/204255184.db2.gz LRXPVHXBVVJXRU-ZUSMLRIVSA-N 1 0 358.272 5.292 1 0 FKAFRO CC[n+]1c(/C=C/c2cc(Br)ccc2OC)ccc2ccccc21 ZINC000008198977 204322428 /nfs/dbraw/zinc/32/24/28/204322428.db2.gz CXMRNBDUVFGTNU-FMIVXFBMSA-N 1 0 369.282 5.089 1 0 FKAFRO C[NH+](C)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000008536371 204334027 /nfs/dbraw/zinc/33/40/27/204334027.db2.gz QPRPWLRGVVKXAH-UHFFFAOYSA-N 1 0 372.447 5.006 1 0 FKAFRO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119887 570773912 /nfs/dbraw/zinc/77/39/12/570773912.db2.gz XXNRZZXPXAFYRJ-HVVFZDMJSA-N 1 0 357.497 5.328 1 0 FKAFRO C[C@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119889 211024674 /nfs/dbraw/zinc/02/46/74/211024674.db2.gz XXNRZZXPXAFYRJ-CTZQYXLCSA-N 1 0 357.497 5.328 1 0 FKAFRO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119892 211023919 /nfs/dbraw/zinc/02/39/19/211023919.db2.gz XXNRZZXPXAFYRJ-KTEAYJLESA-N 1 0 357.497 5.328 1 0 FKAFRO C[NH+](C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 ZINC000013437223 211034930 /nfs/dbraw/zinc/03/49/30/211034930.db2.gz RUWZQSJWDUNAEU-WIOPSUGQSA-N 1 0 370.496 5.071 1 0 FKAFRO CCCc1[nH+]c(Nc2c(C)cc(C)cc2C)n2ccnc(N(CC)CC)c12 ZINC000013437393 211033778 /nfs/dbraw/zinc/03/37/78/211033778.db2.gz SLSZUHNBVDPEEH-UHFFFAOYSA-N 1 0 365.525 5.197 1 0 FKAFRO CCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 ZINC000013437762 220067559 /nfs/dbraw/zinc/06/75/59/220067559.db2.gz SGSPDHQGPCJISU-MRXNPFEDSA-N 1 0 357.513 6.530 1 0 FKAFRO CCCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 ZINC000013437765 220067097 /nfs/dbraw/zinc/06/70/97/220067097.db2.gz SGSPDHQGPCJISU-INIZCTEOSA-N 1 0 357.513 6.530 1 0 FKAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000013437881 211033709 /nfs/dbraw/zinc/03/37/09/211033709.db2.gz OMMIMDGHTTXEFT-UHFFFAOYSA-N 1 0 365.936 5.198 1 0 FKAFRO CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1 ZINC000013441086 220066727 /nfs/dbraw/zinc/06/67/27/220066727.db2.gz MRAJXEJREVLHNF-UHFFFAOYSA-N 1 0 373.968 6.874 1 0 FKAFRO CCCCCc1c(-c2ccc(C)cc2)c(CO)c(C(C)C)nc1C(C)C ZINC000013441088 220067167 /nfs/dbraw/zinc/06/71/67/220067167.db2.gz FHPWUWXBZPBBSL-UHFFFAOYSA-N 1 0 353.550 6.529 1 0 FKAFRO Cc1cc(N)c2cc(NC(=O)/C=C/c3c(Cl)cccc3Cl)ccc2[nH+]1 ZINC000013448042 220068891 /nfs/dbraw/zinc/06/88/91/220068891.db2.gz UIRKQLPJWDHWTE-SOFGYWHQSA-N 1 0 372.255 5.084 1 0 FKAFRO CC[NH+](CC)CCCCOC(=O)[C@](C)(c1ccccc1)C1CCCCC1 ZINC000013453140 211034309 /nfs/dbraw/zinc/03/43/09/211034309.db2.gz HXBKNTPSKWVIGR-HSZRJFAPSA-N 1 0 359.554 5.190 1 0 FKAFRO CC[NH+](CC)CCCCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 ZINC000013453144 220067862 /nfs/dbraw/zinc/06/78/62/220067862.db2.gz HXBKNTPSKWVIGR-QHCPKHFHSA-N 1 0 359.554 5.190 1 0 FKAFRO Cc1ccccc1N1CCc2c1[nH+]c1c(C)cccc1c2Nc1ccccc1 ZINC000013454998 220068219 /nfs/dbraw/zinc/06/82/19/220068219.db2.gz PMRUHBGJDVXGPN-UHFFFAOYSA-N 1 0 365.480 6.289 1 0 FKAFRO CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1cc[nH]n1 ZINC000013472106 220068349 /nfs/dbraw/zinc/06/83/49/220068349.db2.gz JPZILXAOIDULDN-UHFFFAOYSA-N 1 0 354.477 5.363 1 0 FKAFRO c1cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)n[nH]1 ZINC000013472107 220067852 /nfs/dbraw/zinc/06/78/52/220067852.db2.gz OKNUWULHZMMVQQ-UHFFFAOYSA-N 1 0 374.467 5.687 1 0 FKAFRO c1c[nH]c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)n1 ZINC000013472122 211036375 /nfs/dbraw/zinc/03/63/75/211036375.db2.gz OETDAOSNYJDQPY-UHFFFAOYSA-N 1 0 374.467 5.687 1 0 FKAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000013487735 220069313 /nfs/dbraw/zinc/06/93/13/220069313.db2.gz GCAHRQVSTZKWEH-GFONPWLDSA-N 1 0 369.936 5.709 1 0 FKAFRO Cc1ccc(-c2cccc(-c3cc4ncccc4c(NCCC[NH3+])n3)c2)cc1 ZINC000013489163 207462753 /nfs/dbraw/zinc/46/27/53/207462753.db2.gz YBDXTCXQWHYRAK-UHFFFAOYSA-N 1 0 368.484 5.033 1 0 FKAFRO C[C@H]1[C@@H]2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CC[N@@H+]2CC1CC1 ZINC000013493431 211035568 /nfs/dbraw/zinc/03/55/68/211035568.db2.gz BZXKIAFEGKPVMG-WDNCENIBSA-N 1 0 360.545 5.233 1 0 FKAFRO C[NH+](C)CCC1=C([C@H](c2ccccc2)c2ccccn2)c2ccccc2C1 ZINC000013493491 211035613 /nfs/dbraw/zinc/03/56/13/211035613.db2.gz UFUQREONAQKXQA-RUZDIDTESA-N 1 0 354.497 5.175 1 0 FKAFRO Brc1ccc(OCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000013517639 220070777 /nfs/dbraw/zinc/07/07/77/220070777.db2.gz RSVFXFQFFXPJAY-UHFFFAOYSA-N 1 0 360.295 5.014 1 0 FKAFRO Fc1ccc([C@@H](Oc2ccc(Cl)c(Cl)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC000013530769 220071693 /nfs/dbraw/zinc/07/16/93/220071693.db2.gz XWBPISXEMVNFRZ-SCLBCKFNSA-N 1 0 354.252 5.252 1 0 FKAFRO Fc1ccc([C@H](Oc2ccc(Cl)c(Cl)c2)[C@H]2CCC[NH2+]C2)cc1 ZINC000013530772 211037898 /nfs/dbraw/zinc/03/78/98/211037898.db2.gz XWBPISXEMVNFRZ-UGSOOPFHSA-N 1 0 354.252 5.252 1 0 FKAFRO CC(C)C1CC[NH+](CCCCCN2c3cccc4cccc(c34)C2=O)CC1 ZINC000013531169 220071765 /nfs/dbraw/zinc/07/17/65/220071765.db2.gz GHLZAQYVJNYCHN-UHFFFAOYSA-N 1 0 364.533 5.338 1 0 FKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)[N@@H+]3C)cc1 ZINC000013532686 211038376 /nfs/dbraw/zinc/03/83/76/211038376.db2.gz SSEYJTZXHQMBJU-IKJKNFHUSA-N 1 0 358.485 5.384 1 0 FKAFRO NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1 ZINC000013532802 581097226 /nfs/dbraw/zinc/09/72/26/581097226.db2.gz IBIOBBJOSFKEEH-UHFFFAOYSA-N 1 0 371.484 5.109 1 0 FKAFRO Cc1ccccc1-c1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1 ZINC000013535180 220072255 /nfs/dbraw/zinc/07/22/55/220072255.db2.gz OWDGVMVOOYZAGC-UHFFFAOYSA-N 1 0 367.452 5.595 1 0 FKAFRO Cc1ccc(-c2ccc3c(C)cc(Oc4ccc(C(N)=[NH2+])cc4)nc3c2)cc1 ZINC000013535183 211037155 /nfs/dbraw/zinc/03/71/55/211037155.db2.gz DMBWVWSYVUFQKW-UHFFFAOYSA-N 1 0 367.452 5.595 1 0 FKAFRO Clc1ccc(-c2cc(Cl)cc3c2N2CC[NH2+]CC[C@@H]2C3)c(Cl)c1 ZINC000013535525 211037054 /nfs/dbraw/zinc/03/70/54/211037054.db2.gz CXYZMDKHIFXQGJ-CQSZACIVSA-N 1 0 367.707 5.038 1 0 FKAFRO Clc1ccc(Cl)c(-c2cc(Cl)cc3c2N2CC[NH2+]CC[C@H]2C3)c1 ZINC000013535530 204534236 /nfs/dbraw/zinc/53/42/36/204534236.db2.gz DLYJFSUJZUIZRA-AWEZNQCLSA-N 1 0 367.707 5.038 1 0 FKAFRO Clc1ccc(Cl)c(-c2cc(Cl)cc3c2N2CC[NH2+]CC[C@@H]2C3)c1 ZINC000013535533 220072213 /nfs/dbraw/zinc/07/22/13/220072213.db2.gz DLYJFSUJZUIZRA-CQSZACIVSA-N 1 0 367.707 5.038 1 0 FKAFRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CC2CCCCCCC2)CC1 ZINC000013553185 220073841 /nfs/dbraw/zinc/07/38/41/220073841.db2.gz KXELCMOUZVFRPN-UHFFFAOYSA-N 1 0 369.471 5.349 1 0 FKAFRO CCCC1CCC([NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000013553192 220073963 /nfs/dbraw/zinc/07/39/63/220073963.db2.gz XUNGUUJFDMFAKR-UHFFFAOYSA-N 1 0 369.471 5.348 1 0 FKAFRO CC(C)C1CCC([NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000013553193 207467298 /nfs/dbraw/zinc/46/72/98/207467298.db2.gz CMHHIZVWSJGTOK-UHFFFAOYSA-N 1 0 369.471 5.204 1 0 FKAFRO CCCN(CCC)c1cc(C)[nH+]c2c1cccc2-c1c(C)cc(C)cc1C ZINC000013553465 211039397 /nfs/dbraw/zinc/03/93/97/211039397.db2.gz NUDMNTFRWJIIBW-UHFFFAOYSA-N 1 0 360.545 6.762 1 0 FKAFRO CCCCN(CCC)c1cc(C)[nH+]c2c1cccc2-c1c(C)cc(C)cc1C ZINC000013553467 211038863 /nfs/dbraw/zinc/03/88/63/211038863.db2.gz BAXLMZUAHKAOIB-UHFFFAOYSA-N 1 0 374.572 7.152 1 0 FKAFRO C[N@@H+]1CCCC[C@@H]1CCC1(c2ccc(Cl)cc2)SCCCS1 ZINC000013554200 220073135 /nfs/dbraw/zinc/07/31/35/220073135.db2.gz WEYUDGFFZFIESK-QGZVFWFLSA-N 1 0 356.000 5.627 1 0 FKAFRO C[N@@H+]1CCCC[C@H]1CCC1(c2ccc(Cl)cc2)SCCCS1 ZINC000013554201 211039459 /nfs/dbraw/zinc/03/94/59/211039459.db2.gz WEYUDGFFZFIESK-KRWDZBQOSA-N 1 0 356.000 5.627 1 0 FKAFRO c1ccc(CCc2ccc(C3=Cc4ccccc4C4=[NH+]CCCN34)cc2)cc1 ZINC000013555258 220073329 /nfs/dbraw/zinc/07/33/29/220073329.db2.gz IDWFDCHPOWAECB-UHFFFAOYSA-N 1 0 364.492 5.436 1 0 FKAFRO CCCCC1=C(c2ccc(C(C)(C)C)cc2)N2CCC[NH+]=C2c2ccccc21 ZINC000013555287 211038769 /nfs/dbraw/zinc/03/87/69/211038769.db2.gz VNBPNFZLNMXVOP-UHFFFAOYSA-N 1 0 372.556 6.509 1 0 FKAFRO O=C(CCC[n+]1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000013558999 210232778 /nfs/dbraw/zinc/23/27/78/210232778.db2.gz KAPIKUHBALFONG-UHFFFAOYSA-N 1 0 354.832 5.097 1 0 FKAFRO CC[NH+](CC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21 ZINC000013560898 211039083 /nfs/dbraw/zinc/03/90/83/211039083.db2.gz FIJOQRLYVALYIU-JXFKEZNVSA-N 1 0 364.316 5.921 1 0 FKAFRO CC[NH+](CC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 ZINC000013560900 207469716 /nfs/dbraw/zinc/46/97/16/207469716.db2.gz NIIGXDSCJHJWSY-BEFAXECRSA-N 1 0 350.289 5.618 1 0 in-vivo FKAFRO C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1ccc(Br)cc1 ZINC000013588062 220077241 /nfs/dbraw/zinc/07/72/41/220077241.db2.gz TVGWXQAGBGCBIQ-LJQANCHMSA-N 1 0 370.290 5.332 1 0 FKAFRO C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1ccccc1C(F)(F)F ZINC000013588064 220076871 /nfs/dbraw/zinc/07/68/71/220076871.db2.gz OIHBSJFKSKENBL-HXUWFJFHSA-N 1 0 359.391 5.588 1 0 FKAFRO C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000013588066 211040731 /nfs/dbraw/zinc/04/07/31/211040731.db2.gz NRBVOOUZUSJEKA-LJQANCHMSA-N 1 0 359.391 5.588 1 0 FKAFRO C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000013588067 211041438 /nfs/dbraw/zinc/04/14/38/211041438.db2.gz NRBVOOUZUSJEKA-IBGZPJMESA-N 1 0 359.391 5.588 1 0 FKAFRO C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000013588068 211041457 /nfs/dbraw/zinc/04/14/57/211041457.db2.gz WGXGFDYUAPSJDQ-LJQANCHMSA-N 1 0 359.391 5.588 1 0 FKAFRO C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000013588069 204539024 /nfs/dbraw/zinc/53/90/24/204539024.db2.gz WGXGFDYUAPSJDQ-IBGZPJMESA-N 1 0 359.391 5.588 1 0 FKAFRO COc1ccc(CCC2=[NH+][C@@H](c3ccccc3)c3ccccc3CN2C)cc1 ZINC000013600221 211042201 /nfs/dbraw/zinc/04/22/01/211042201.db2.gz HOMJVOLHOZINBG-VWLOTQADSA-N 1 0 370.496 5.261 1 0 FKAFRO CN1Cc2ccccc2[C@@H](Cc2ccccc2)[NH+]=C1CCc1ccccc1 ZINC000013600291 220078097 /nfs/dbraw/zinc/07/80/97/220078097.db2.gz GKBWEFQSKYELDR-XMMPIXPASA-N 1 0 354.497 5.447 1 0 FKAFRO CN1Cc2ccccc2[C@H](Cc2ccccc2)[NH+]=C1CCc1ccccc1 ZINC000013600293 220077997 /nfs/dbraw/zinc/07/79/97/220077997.db2.gz GKBWEFQSKYELDR-DEOSSOPVSA-N 1 0 354.497 5.447 1 0 FKAFRO COc1ccc([C@H]2[NH+]=C(CCc3ccccc3)N(C)Cc3ccccc32)cc1 ZINC000013600298 207470221 /nfs/dbraw/zinc/47/02/21/207470221.db2.gz XHOFALWHFBGANP-RUZDIDTESA-N 1 0 370.496 5.261 1 0 FKAFRO CN1Cc2ccccc2[C@@](C)(c2ccccc2)[NH+]=C1CCc1ccccc1 ZINC000013600307 211042943 /nfs/dbraw/zinc/04/29/43/211042943.db2.gz SRQISTJWHGAPAQ-RUZDIDTESA-N 1 0 354.497 5.427 1 0 FKAFRO C[NH+]1CCC(=C2c3ccccc3C=Cc3ccc(Br)cc32)CC1 ZINC000013600922 211042695 /nfs/dbraw/zinc/04/26/95/211042695.db2.gz NSSCINRMNOIVGT-UHFFFAOYSA-N 1 0 366.302 5.460 1 0 FKAFRO CCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000013605659 220078322 /nfs/dbraw/zinc/07/83/22/220078322.db2.gz WWGDEVTWZFFPPI-LIMNOBDPSA-N 1 0 353.506 5.345 1 0 FKAFRO CCCC/C=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000013605663 211042248 /nfs/dbraw/zinc/04/22/48/211042248.db2.gz RIMXSFHITCMBCL-PGGKNCGUSA-N 1 0 367.533 5.735 1 0 FKAFRO CCC(=O)c1cccc(-c2ccc3oc(CC[N@@H+]4CCC[C@H]4C)cc3c2)c1 ZINC000013606779 220078586 /nfs/dbraw/zinc/07/85/86/220078586.db2.gz CELAAZUTSNRGKM-QGZVFWFLSA-N 1 0 361.485 5.719 1 0 FKAFRO c1cc(-c2cccnc2)sc1C[NH2+]Cc1ccc(-c2cccnc2)s1 ZINC000013607132 581091297 /nfs/dbraw/zinc/09/12/97/581091297.db2.gz CKCZUAVVHJHNJY-UHFFFAOYSA-N 1 0 363.511 5.223 1 0 in-vivo FKAFRO Cc1cc2c([nH]1)c(Cl)cc1c2[C@H]2c3ccccc3CC[C@@H]2[N@H+](C)CC1 ZINC000013608516 211042991 /nfs/dbraw/zinc/04/29/91/211042991.db2.gz MJXFQOBCXVELQL-FPOVZHCZSA-N 1 0 350.893 5.064 1 0 FKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[NH2+]CCCCc1ccccc1)O2 ZINC000013651352 211046234 /nfs/dbraw/zinc/04/62/34/211046234.db2.gz UACDBZLFPCRZBA-DEOSSOPVSA-N 1 0 367.533 5.014 1 0 FKAFRO C[C@]12CCCC[C@@]1(c1cccc(O)c1)CC[N@H+](CCCc1ccccc1)C2 ZINC000013677950 211048085 /nfs/dbraw/zinc/04/80/85/211048085.db2.gz YVASRVQRZZSUCP-RPBOFIJWSA-N 1 0 363.545 5.549 1 0 FKAFRO C[NH+](C)CC[C@@H](OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000013684613 211049562 /nfs/dbraw/zinc/04/95/62/211049562.db2.gz NHZQSQXKZNYYSW-OAQYLSRUSA-N 1 0 367.876 5.343 1 0 FKAFRO C[NH+](C)CC[C@H](OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000013684616 211047990 /nfs/dbraw/zinc/04/79/90/211047990.db2.gz NHZQSQXKZNYYSW-NRFANRHFSA-N 1 0 367.876 5.343 1 0 FKAFRO Cc1c(Cl)cccc1C(=O)O[C@H](CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000013684929 220085792 /nfs/dbraw/zinc/08/57/92/220085792.db2.gz CTSVAXKMMQVKRO-GOSISDBHSA-N 1 0 366.288 5.152 1 0 FKAFRO Cc1c(Cl)cccc1C(=O)O[C@@H](CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000013684932 211048815 /nfs/dbraw/zinc/04/88/15/211048815.db2.gz CTSVAXKMMQVKRO-SFHVURJKSA-N 1 0 366.288 5.152 1 0 FKAFRO Cc1cc(C)c(C(=O)O[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1C ZINC000013684948 220085815 /nfs/dbraw/zinc/08/58/15/220085815.db2.gz PRHCORHYTJWCNC-FQEVSTJZSA-N 1 0 359.897 5.115 1 0 FKAFRO C[NH+](C)CC[C@@H](OC(=O)c1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000013684968 220085487 /nfs/dbraw/zinc/08/54/87/220085487.db2.gz RKDJEJLCQXYZOG-OAQYLSRUSA-N 1 0 367.876 5.343 1 0 FKAFRO C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2c3c1cccc3CCc1ccccc12 ZINC000013685312 220086150 /nfs/dbraw/zinc/08/61/50/220086150.db2.gz DNSDIYWJKBRJKP-PISWEHOVSA-N 1 0 353.509 5.583 1 0 FKAFRO C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2c3c1cccc3CCc1ccccc12 ZINC000013685317 211049585 /nfs/dbraw/zinc/04/95/85/211049585.db2.gz DNSDIYWJKBRJKP-ZYKLXPEUSA-N 1 0 353.509 5.583 1 0 FKAFRO C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2c3c1cccc3CCc1ccccc12 ZINC000013685322 220085845 /nfs/dbraw/zinc/08/58/45/220085845.db2.gz DNSDIYWJKBRJKP-MUEKUWCCSA-N 1 0 353.509 5.583 1 0 FKAFRO O[C@H](CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000013729975 211053197 /nfs/dbraw/zinc/05/31/97/211053197.db2.gz CPZOJVSRXNVCFS-HXUWFJFHSA-N 1 0 363.423 5.041 1 0 FKAFRO CC(C)(C)c1ccc(C[NH+]2CCC3(CCc4ccccc4C3=O)CC2)cc1 ZINC000013734350 220091040 /nfs/dbraw/zinc/09/10/40/220091040.db2.gz JRPGEMWAJXMXHL-UHFFFAOYSA-N 1 0 361.529 5.395 1 0 FKAFRO O=C1c2ccccc2CCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000013734356 220090711 /nfs/dbraw/zinc/09/07/11/220090711.db2.gz UGXPMUFKPRFZOM-UHFFFAOYSA-N 1 0 373.418 5.117 1 0 FKAFRO CC(C)=C1c2ccc(Cl)cc2C=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000013738221 220091988 /nfs/dbraw/zinc/09/19/88/220091988.db2.gz QCJIDMPIJUWNKR-UHFFFAOYSA-N 1 0 364.920 5.241 1 0 FKAFRO CCC[NH+](CCC)[C@@H]1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1 ZINC000013738698 204550479 /nfs/dbraw/zinc/55/04/79/204550479.db2.gz LKUMKJQSYINUSG-MRXNPFEDSA-N 1 0 352.444 5.252 1 0 FKAFRO Clc1ccc(C2=CCC[C@@H](C[N@H+]3CC=C(c4ccccc4)CC3)C2)cc1 ZINC000013738849 220092234 /nfs/dbraw/zinc/09/22/34/220092234.db2.gz ITANASSNEOXAJO-LJQANCHMSA-N 1 0 363.932 6.313 1 0 FKAFRO COc1ccc(C2=CCC[C@@H](C[N@H+]3CC=C(c4ccccc4)CC3)C2)cc1 ZINC000013738851 211056965 /nfs/dbraw/zinc/05/69/65/211056965.db2.gz JCNGPOQBWNDDLN-HXUWFJFHSA-N 1 0 359.513 5.668 1 0 FKAFRO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1 ZINC000013740368 211056501 /nfs/dbraw/zinc/05/65/01/211056501.db2.gz JBXUCKVGAYPPEH-LAMXGVLKSA-N 1 0 363.545 5.414 1 0 FKAFRO CC(C)=C1c2ccccc2C=C(C2=CC[N@H+](C)CC2)c2cc(Cl)ccc21 ZINC000013740497 220092022 /nfs/dbraw/zinc/09/20/22/220092022.db2.gz IAOUVQRCRUKJNM-UHFFFAOYSA-N 1 0 361.916 6.298 1 0 FKAFRO CCCCC[N@@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 ZINC000013741146 211056589 /nfs/dbraw/zinc/05/65/89/211056589.db2.gz XPCLUWISULHCPB-DFBJGRDBSA-N 1 0 374.528 5.370 1 0 FKAFRO CCCCCC/[NH+]=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc21 ZINC000013741396 220092097 /nfs/dbraw/zinc/09/20/97/220092097.db2.gz WIXOVCHGCCZODL-DARPEHSRSA-N 1 0 352.909 5.824 1 0 FKAFRO CCCCC/[NH+]=c1\ccn(Cc2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000013741412 211055352 /nfs/dbraw/zinc/05/53/52/211055352.db2.gz CJCYDPWIDBVYTE-DARPEHSRSA-N 1 0 368.908 5.443 1 0 FKAFRO CCCCC/[NH+]=c1\ccn([C@@H]2CCc3ccccc32)c2cc(Cl)ccc21 ZINC000013741418 211055607 /nfs/dbraw/zinc/05/56/07/211055607.db2.gz LJICSCKXMUQXCM-FNBPXTNNSA-N 1 0 364.920 5.921 1 0 FKAFRO CCCCC/[NH+]=c1\ccn([C@H]2CCc3ccccc32)c2cc(Cl)ccc21 ZINC000013741419 211056045 /nfs/dbraw/zinc/05/60/45/211056045.db2.gz LJICSCKXMUQXCM-SCIJIFGBSA-N 1 0 364.920 5.921 1 0 FKAFRO CCCC/[NH+]=c1\ccn(CCCc2ccccc2)c2cc(Cl)ccc21 ZINC000013741423 211055525 /nfs/dbraw/zinc/05/55/25/211055525.db2.gz YVFORDXDHZVWFF-DARPEHSRSA-N 1 0 352.909 5.628 1 0 FKAFRO CCC[NH+](CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1 ZINC000013741710 211056343 /nfs/dbraw/zinc/05/63/43/211056343.db2.gz WYHYLXRVYVASMT-HXUWFJFHSA-N 1 0 374.528 5.378 1 0 FKAFRO CCC[N@H+](CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000013741768 220092312 /nfs/dbraw/zinc/09/23/12/220092312.db2.gz YXESVSAQXNVTIV-JOCHJYFZSA-N 1 0 374.528 5.183 1 0 FKAFRO CCC[N@H+](CCCc1ccccc1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000013741769 220091830 /nfs/dbraw/zinc/09/18/30/220091830.db2.gz YXESVSAQXNVTIV-QFIPXVFZSA-N 1 0 374.528 5.183 1 0 FKAFRO Clc1ccc(-c2cc(C3CC[NH+](CCc4ccccc4)CC3)[nH]n2)cc1 ZINC000013755887 211058994 /nfs/dbraw/zinc/05/89/94/211058994.db2.gz YCDXELFFFUYKMO-UHFFFAOYSA-N 1 0 365.908 5.152 1 0 FKAFRO Clc1ccc(-c2cc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)[nH]n2)cc1 ZINC000013763842 211057803 /nfs/dbraw/zinc/05/78/03/211057803.db2.gz RKWDQZZKDQAENU-GOSISDBHSA-N 1 0 351.881 5.110 1 0 FKAFRO CC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000013763872 220093400 /nfs/dbraw/zinc/09/34/00/220093400.db2.gz UOIRCOOXVJGCIE-UHFFFAOYSA-N 1 0 365.908 5.284 1 0 FKAFRO Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000013763878 211058058 /nfs/dbraw/zinc/05/80/58/211058058.db2.gz GWSJSKIZAIMZOZ-UHFFFAOYSA-N 1 0 365.908 5.418 1 0 FKAFRO Cn1c2ccccc2c(C[NH+]2CCCCC2)c1COc1ccc(Cl)cc1 ZINC000013766324 204552082 /nfs/dbraw/zinc/55/20/82/204552082.db2.gz OUVHCTWMGVFCDT-UHFFFAOYSA-N 1 0 368.908 5.397 1 0 FKAFRO O=C(c1cn(C[C@@H]2CCCC[NH2+]2)c2ccccc12)c1cccc2ccccc21 ZINC000013781970 220094959 /nfs/dbraw/zinc/09/49/59/220094959.db2.gz ACDWUXBEEILJEI-IBGZPJMESA-N 1 0 368.480 5.168 1 0 FKAFRO O=C(c1cn(C[C@H]2CCCC[NH2+]2)c2ccccc12)c1cccc2ccccc21 ZINC000013781971 211059365 /nfs/dbraw/zinc/05/93/65/211059365.db2.gz ACDWUXBEEILJEI-LJQANCHMSA-N 1 0 368.480 5.168 1 0 FKAFRO C(=C1/C=C(CC[NH+]2CCOCC2)c2ccccc21)\c1cccc2ccccc12 ZINC000013782398 204553255 /nfs/dbraw/zinc/55/32/55/204553255.db2.gz RTRAPBQOJODDGH-NKFKGCMQSA-N 1 0 367.492 5.500 1 0 FKAFRO CCCCCC[C@@H]([NH3+])Cc1ccc(OC)c(OCCc2ccccc2)c1 ZINC000013801100 211060182 /nfs/dbraw/zinc/06/01/82/211060182.db2.gz ATWSAMSDOYXNEX-OAQYLSRUSA-N 1 0 355.522 5.157 1 0 FKAFRO c1ccc(-c2ccc(Oc3ccc(OCC[NH+]4CCCC4)cc3)cc2)cc1 ZINC000013805457 581092091 /nfs/dbraw/zinc/09/20/91/581092091.db2.gz JOAPAHXFXLAMGI-UHFFFAOYSA-N 1 0 359.469 5.621 1 0 FKAFRO C[NH+](C)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl ZINC000013814682 220095757 /nfs/dbraw/zinc/09/57/57/220095757.db2.gz NHMOQCPWEXROOA-UHFFFAOYSA-N 1 0 369.317 5.035 1 0 FKAFRO CCCCCCSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(C)C[N@@H+]1C ZINC000013826364 220097202 /nfs/dbraw/zinc/09/72/02/220097202.db2.gz APPQUNGDZNNCCP-YLJYHZDGSA-N 1 0 354.563 5.740 1 0 FKAFRO Fc1ccc(CCCC[N@H+]2[C@@H]3CCC[C@H]2Cc2[nH]c4ccccc4c23)cc1 ZINC000013827328 220097104 /nfs/dbraw/zinc/09/71/04/220097104.db2.gz HFDHTQNBCFVPGS-WMZHIEFXSA-N 1 0 362.492 5.782 1 0 FKAFRO c1[nH]c2ccccc2c1CCCC[N@H+]1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000013827368 211061910 /nfs/dbraw/zinc/06/19/10/211061910.db2.gz XNMOWIHSJLFIBW-MHECFPHRSA-N 1 0 369.512 5.734 1 0 FKAFRO c1ccc(C[NH+]2Cc3c(c(-c4ccccc4)[nH]c3-c3ccccc3)C2)cc1 ZINC000013835379 211061573 /nfs/dbraw/zinc/06/15/73/211061573.db2.gz XPZIIJVAVYDHEE-UHFFFAOYSA-N 1 0 350.465 5.865 1 0 FKAFRO Clc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccccc3)c3ccccc32)cc1Cl ZINC000013835802 204555882 /nfs/dbraw/zinc/55/58/82/204555882.db2.gz FVVRXOHRSYEMTM-UGKGYDQZSA-N 1 0 368.307 6.360 1 0 FKAFRO c1ccc(C[N@@H+]2CCC[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)C2)cc1 ZINC000013862729 220098578 /nfs/dbraw/zinc/09/85/78/220098578.db2.gz RXGPCIHYSMKIRI-JOCHJYFZSA-N 1 0 366.508 6.215 1 0 in-vivo FKAFRO Fc1ccc2c(c1)[nH]c(-c1ccc3ccccc3c1)c2[C@@H]1C[NH2+]CC[C@H]1F ZINC000013862744 204556767 /nfs/dbraw/zinc/55/67/67/204556767.db2.gz DAUSNPVLXKKGNQ-WOJBJXKFSA-N 1 0 362.423 5.542 1 0 FKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1Cl ZINC000013864745 211064455 /nfs/dbraw/zinc/06/44/55/211064455.db2.gz JBNZKLCCRJJSKQ-UHFFFAOYSA-N 1 0 361.832 5.145 1 0 FKAFRO CCCCCC[C@@H](C)CCCCCCCCCCC[C@@H]1[NH2+][C@@H](CO)[C@@H]1O ZINC000014638468 211096401 /nfs/dbraw/zinc/09/64/01/211096401.db2.gz MXSVVKSZJQKNBC-WZYRSQIMSA-N 1 0 369.634 5.578 1 0 FKAFRO CCc1c(C)sc2c1CC[N@H+](Cc1ccccc1F)[C@@H]2c1ccccc1 ZINC000021337804 211313298 /nfs/dbraw/zinc/31/32/98/211313298.db2.gz OFEQTWIRIOQICC-JOCHJYFZSA-N 1 0 365.517 5.906 1 0 FKAFRO CCc1c(C)sc2c1CC[N@H+](Cc1ccccc1F)[C@H]2c1ccccc1 ZINC000021337806 220357248 /nfs/dbraw/zinc/35/72/48/220357248.db2.gz OFEQTWIRIOQICC-QFIPXVFZSA-N 1 0 365.517 5.906 1 0 FKAFRO C[C@@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)[NH+]1C ZINC000022937951 211371168 /nfs/dbraw/zinc/37/11/68/211371168.db2.gz JQBCJANIMSRFBC-SUMGPEMVSA-N 1 0 372.915 5.080 1 0 FKAFRO C[N@@H+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C ZINC000022938069 211370075 /nfs/dbraw/zinc/37/00/75/211370075.db2.gz KMKBRLPCUKJMSX-PZJWPPBQSA-N 1 0 372.915 5.082 1 0 FKAFRO C[N@@H+]1CCN([C@@H]2C[C@@H](c3ccccc3F)c3ccc(Cl)cc32)CC1(C)C ZINC000022938080 211372109 /nfs/dbraw/zinc/37/21/09/211372109.db2.gz BEJFETGIBLFMPS-WIYYLYMNSA-N 1 0 372.915 5.082 1 0 FKAFRO C[N@@H+]1CCN([C@@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C ZINC000022938093 211370766 /nfs/dbraw/zinc/37/07/66/211370766.db2.gz JUUYXOLEDYTRCB-PKOBYXMFSA-N 1 0 360.954 5.004 1 0 FKAFRO CCCCC[C@H](c1ccccc1)N1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000022941634 211369909 /nfs/dbraw/zinc/36/99/09/211369909.db2.gz JQEVLYWMVMKITJ-BHIFYINESA-N 1 0 356.941 5.736 1 0 FKAFRO CCCCCC[C@H](c1ccccc1)N1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000022941646 211371097 /nfs/dbraw/zinc/37/10/97/211371097.db2.gz PYVYQSFRPHLGSU-XPWALMASSA-N 1 0 370.968 6.126 1 0 FKAFRO CCCCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000022941649 211369546 /nfs/dbraw/zinc/36/95/46/211369546.db2.gz PYVYQSFRPHLGSU-RJGXRXQPSA-N 1 0 370.968 6.126 1 0 FKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCc2ccncc2)c1 ZINC000026019629 207907236 /nfs/dbraw/zinc/90/72/36/207907236.db2.gz FGEXGANWPSRWHR-UHFFFAOYSA-N 1 0 369.512 5.222 1 0 FKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCc2ccccn2)c1 ZINC000026019939 220502421 /nfs/dbraw/zinc/50/24/21/220502421.db2.gz MXCVIXZLRNCGTM-UHFFFAOYSA-N 1 0 369.512 5.222 1 0 FKAFRO Cc1cc(C)cc(COC[C@H]([NH3+])C2c3ccccc3C=Cc3ccccc32)c1 ZINC000026271602 211444318 /nfs/dbraw/zinc/44/43/18/211444318.db2.gz MVLDBDSDAOAUMM-VWLOTQADSA-N 1 0 369.508 5.463 1 0 FKAFRO [NH2+]=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000026493864 220517203 /nfs/dbraw/zinc/51/72/03/220517203.db2.gz ABYVXJXTOJUFEC-ZHACJKMWSA-N 1 0 371.528 5.762 1 0 FKAFRO CC1=C(c2ccc(O)cc2)[C@H](CCCCCCC[NH3+])c2ccc(O)cc21 ZINC000026576906 204852925 /nfs/dbraw/zinc/85/29/25/204852925.db2.gz VPFDRKZPSULTNP-OAQYLSRUSA-N 1 0 351.490 5.425 1 0 FKAFRO CC1=C(c2ccc(O)cc2)[C@@H](CCCC[NH+]2CCCC2)c2ccc(O)cc21 ZINC000026577884 204852667 /nfs/dbraw/zinc/85/26/67/204852667.db2.gz RPTJMEGQRQTAMZ-QFIPXVFZSA-N 1 0 363.501 5.392 1 0 FKAFRO CC[NH+](CC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 ZINC000026579738 204852562 /nfs/dbraw/zinc/85/25/62/204852562.db2.gz NIIGXDSCJHJWSY-KXBFYZLASA-N 1 0 350.289 5.618 1 0 in-vivo FKAFRO CC1=C(c2ccc(O)cc2)[C@H](CCCCCC[NH+](C)C)c2ccc(O)cc21 ZINC000026579929 204853714 /nfs/dbraw/zinc/85/37/14/204853714.db2.gz HIRUDKIEYVWEEE-JOCHJYFZSA-N 1 0 365.517 5.638 1 0 FKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ncc(-c4ccccc4)o2)[N@@H+]3C)cc1 ZINC000026663722 204854336 /nfs/dbraw/zinc/85/43/36/204854336.db2.gz GUXROWKWRXBXAG-FBPBVXOASA-N 1 0 358.485 5.384 1 0 FKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](C[C@@H](C)CCC=C(C)C)C1C(=O)OC ZINC000026816635 211454446 /nfs/dbraw/zinc/45/44/46/211454446.db2.gz DUQKWXIFKLCNNB-KBPHNNNPSA-N 1 0 363.498 5.103 1 0 FKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](C[C@@H](C)CCC=C(C)C)C1C(=O)OC ZINC000026816638 220520794 /nfs/dbraw/zinc/52/07/94/220520794.db2.gz DUQKWXIFKLCNNB-IKXRYLQMSA-N 1 0 363.498 5.103 1 0 FKAFRO C[NH+](C)CCCN1c2cscc2Sc2ccc(C(F)(F)F)cc21 ZINC000026963937 535832873 /nfs/dbraw/zinc/83/28/73/535832873.db2.gz NEGMXFBXVHIIRN-UHFFFAOYSA-N 1 0 358.454 5.321 1 0 FKAFRO C[NH+](C)CCCN1c2ccsc2Sc2ccc(C(F)(F)F)cc21 ZINC000026970787 535833345 /nfs/dbraw/zinc/83/33/45/535833345.db2.gz ZBXISTBWUWBJRU-UHFFFAOYSA-N 1 0 358.454 5.321 1 0 FKAFRO c1ccc(CCCC[NH+]2CCC3(CC2)OCc2c3ccc3ccccc23)cc1 ZINC000026981213 220526683 /nfs/dbraw/zinc/52/66/83/220526683.db2.gz UNBQZPWOJXNGJG-UHFFFAOYSA-N 1 0 371.524 5.684 1 0 FKAFRO C[NH+](C)CCCN1c2sccc2Sc2ccc(C(F)(F)F)cc21 ZINC000026981545 535833960 /nfs/dbraw/zinc/83/39/60/535833960.db2.gz ZMACETBWULNHRR-UHFFFAOYSA-N 1 0 358.454 5.321 1 0 FKAFRO CCCCC[NH2+]CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000027101201 211458853 /nfs/dbraw/zinc/45/88/53/211458853.db2.gz DTFSDLQNBQROFA-UHFFFAOYSA-N 1 0 365.473 5.009 1 0 FKAFRO CC(C)C[C@@H]1CN2C(=[NH+]C[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000027209383 211459703 /nfs/dbraw/zinc/45/97/03/211459703.db2.gz SGIBUXSDRUUCRC-UTCUMILBSA-N 1 0 371.613 5.164 1 0 FKAFRO C(=C1\C=C(CC[NH+]2CCOCC2)c2ccccc21)\c1cccc2ccccc12 ZINC000027300802 204860889 /nfs/dbraw/zinc/86/08/89/204860889.db2.gz RTRAPBQOJODDGH-PTGBLXJZSA-N 1 0 367.492 5.500 1 0 FKAFRO C[NH+](C)C1(c2ccc(Cl)cc2)CCC(O)(CCC2=CCCCC2)CC1 ZINC000027328300 211462347 /nfs/dbraw/zinc/46/23/47/211462347.db2.gz ZFQGRACXVDKIRJ-UHFFFAOYSA-N 1 0 361.957 5.683 1 0 FKAFRO CCC[NH+](CCC)[C@H]1CCc2cc(CCc3ccc(OC)cc3)ccc2C1 ZINC000027331120 220531070 /nfs/dbraw/zinc/53/10/70/220531070.db2.gz OUVWNMTXUYBAHT-DEOSSOPVSA-N 1 0 365.561 5.460 1 0 FKAFRO Cc1cccc2c([C@H](O)[C@@H]3CCCC[NH2+]3)cc(-c3ccc(Cl)cc3)nc12 ZINC000027524201 204863685 /nfs/dbraw/zinc/86/36/85/204863685.db2.gz PCDPGQIUKYMHHO-UGKGYDQZSA-N 1 0 366.892 5.039 1 0 FKAFRO Cc1ccc(-c2cc([C@@H](O)[C@H]3CCCC[NH2+]3)c3cc(C)cc(C)c3n2)cc1 ZINC000027524268 211465162 /nfs/dbraw/zinc/46/51/62/211465162.db2.gz VOPRLSQHNFTEJF-ZJSXRUAMSA-N 1 0 360.501 5.003 1 0 FKAFRO Cc1ccc(-c2cc([C@H](O)[C@H]3CCCC[NH2+]3)c3cc(C)cc(C)c3n2)cc1 ZINC000027524269 220537005 /nfs/dbraw/zinc/53/70/05/220537005.db2.gz VOPRLSQHNFTEJF-QPPBQGQZSA-N 1 0 360.501 5.003 1 0 FKAFRO O=C(Oc1ccccc1)C1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000027553549 204864041 /nfs/dbraw/zinc/86/40/41/204864041.db2.gz NGFSASRHKRBNRN-UHFFFAOYSA-N 1 0 363.501 5.164 1 0 FKAFRO CC[NH+](CC)CCS[C@H]1Cc2ccccc2Oc2ccc(SC)cc21 ZINC000027555165 207934297 /nfs/dbraw/zinc/93/42/97/207934297.db2.gz PZVJXPCJOCOJQX-NRFANRHFSA-N 1 0 373.587 5.873 1 0 FKAFRO CC[NH+](CC)CCS[C@H]1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000027556030 220536004 /nfs/dbraw/zinc/53/60/04/220536004.db2.gz FLQUPVMFDKZWRY-FQEVSTJZSA-N 1 0 361.938 5.805 1 0 FKAFRO CC[NH+](CC)CCSC1=Cc2ccccc2Oc2ccc(SC)cc21 ZINC000027557651 220538175 /nfs/dbraw/zinc/53/81/75/220538175.db2.gz CJMWRASALJTHFV-UHFFFAOYSA-N 1 0 371.571 6.087 1 0 FKAFRO CCCCC[NH+]1CCC2(CC1)c1cc(O)ccc1[C@@](C)(CC)O[C@H]2CC ZINC000027751797 211470977 /nfs/dbraw/zinc/47/09/77/211470977.db2.gz QGFMUXAMSWETGC-FCHUYYIVSA-N 1 0 359.554 5.350 1 0 FKAFRO Clc1ccc([C@H]2SC3(CC[NH2+]CC3)c3ccccc32)cc1Cl ZINC000027864900 220549142 /nfs/dbraw/zinc/54/91/42/220549142.db2.gz QVVIRWZJPSLRTI-QGZVFWFLSA-N 1 0 350.314 5.408 1 0 FKAFRO Clc1ccc2[nH]cc(SC3CC[NH+](CCc4ccccc4)CC3)c2c1 ZINC000027886646 204870388 /nfs/dbraw/zinc/87/03/88/204870388.db2.gz UWOYVLCVIYFKSO-UHFFFAOYSA-N 1 0 370.949 5.621 1 0 FKAFRO COc1ccccc1CCC1=[NH+][C@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000028134292 211480781 /nfs/dbraw/zinc/48/07/81/211480781.db2.gz JUWYIWVRSCNDPH-PSWAGMNNSA-N 1 0 356.469 5.112 1 0 FKAFRO CCCC[C@@H](C)Oc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncc(C)cc21 ZINC000028218510 211482652 /nfs/dbraw/zinc/48/26/52/211482652.db2.gz BZXQSWWSPPMCCV-DLBZAZTESA-N 1 0 373.541 5.049 1 0 FKAFRO CCCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncc(C)cc21 ZINC000028218999 204876835 /nfs/dbraw/zinc/87/68/35/204876835.db2.gz NNPMINVFTUETPZ-KRWDZBQOSA-N 1 0 373.541 5.050 1 0 FKAFRO CCC[C@@H](CC)Oc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncc(C)cc21 ZINC000028221337 220563245 /nfs/dbraw/zinc/56/32/45/220563245.db2.gz DNWITSZJVUGCBR-DLBZAZTESA-N 1 0 373.541 5.049 1 0 FKAFRO COc1cccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](C)CC4)c1 ZINC000028230113 220565926 /nfs/dbraw/zinc/56/59/26/220565926.db2.gz WLVLTEKEJBBUJF-QPTUXGOLSA-N 1 0 363.501 5.176 1 0 FKAFRO COc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](C)CC4)cc1 ZINC000028230893 211482016 /nfs/dbraw/zinc/48/20/16/211482016.db2.gz PLUHQFRZUCCQIZ-QPTUXGOLSA-N 1 0 363.501 5.176 1 0 FKAFRO CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCCC[C@@H]1[NH+](C)C ZINC000028240253 220567768 /nfs/dbraw/zinc/56/77/68/220567768.db2.gz BFCJTKARVHSAAF-ZWKOTPCHSA-N 1 0 371.352 5.389 1 0 FKAFRO CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCCC[C@H]1[NH+](C)C ZINC000028240267 211483614 /nfs/dbraw/zinc/48/36/14/211483614.db2.gz BFCJTKARVHSAAF-QZTJIDSGSA-N 1 0 371.352 5.389 1 0 FKAFRO c1ccc(CC[N@@H+]2CCC3=C(C2)[C@@H](c2ccccc2)c2ccccc23)cc1 ZINC000028263086 204878879 /nfs/dbraw/zinc/87/88/79/204878879.db2.gz FLNPBFBYQVNSIL-SANMLTNESA-N 1 0 351.493 5.534 1 0 FKAFRO C[C@@H]([C@@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028344000 581094972 /nfs/dbraw/zinc/09/49/72/581094972.db2.gz ZZGVWUSRXVYCSC-JTSKRJEESA-N 1 0 365.521 5.001 1 0 FKAFRO C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028344007 581094969 /nfs/dbraw/zinc/09/49/69/581094969.db2.gz ZZGVWUSRXVYCSC-VGSWGCGISA-N 1 0 365.521 5.001 1 0 FKAFRO C[C@@H]([C@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028344015 581094909 /nfs/dbraw/zinc/09/49/09/581094909.db2.gz ZZGVWUSRXVYCSC-HTAPYJJXSA-N 1 0 365.521 5.001 1 0 FKAFRO C[C@H]([C@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028344021 581094893 /nfs/dbraw/zinc/09/48/93/581094893.db2.gz ZZGVWUSRXVYCSC-VGOFRKELSA-N 1 0 365.521 5.001 1 0 FKAFRO C[NH+]1CCC(c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028468765 204883201 /nfs/dbraw/zinc/88/32/01/204883201.db2.gz UVANMEJFBICJHW-UHFFFAOYSA-N 1 0 352.428 5.436 1 0 FKAFRO C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(Cl)cc3)[nH]2)CC1 ZINC000028469611 207964287 /nfs/dbraw/zinc/96/42/87/207964287.db2.gz YGLYXGVMOWHGNA-UHFFFAOYSA-N 1 0 351.881 5.206 1 0 FKAFRO CC[NH+](CC)CC[C@@H]1C(c2ccccc2)=NN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000028520236 220575990 /nfs/dbraw/zinc/57/59/90/220575990.db2.gz KATLIWHBKOOPTD-IFMALSPDSA-N 1 0 369.940 5.079 1 0 FKAFRO CC[NH+](CC)CC[C@H]1C(c2ccccc2)=NN(C)[C@H]1c1ccc(Cl)cc1 ZINC000028520238 211492651 /nfs/dbraw/zinc/49/26/51/211492651.db2.gz KATLIWHBKOOPTD-UNMCSNQZSA-N 1 0 369.940 5.079 1 0 FKAFRO CC[NH+](CC)CC[C@@H]1C(c2ccccc2)=NN(C)[C@H]1c1ccc(Cl)cc1 ZINC000028520240 211491522 /nfs/dbraw/zinc/49/15/22/211491522.db2.gz KATLIWHBKOOPTD-IRLDBZIGSA-N 1 0 369.940 5.079 1 0 FKAFRO C[NH2+]CCC[C@]1(C)Cc2ccccc2N(c2ccc(C(C)C)cc2)C1=O ZINC000028526945 132918448 /nfs/dbraw/zinc/91/84/48/132918448.db2.gz CSIVTULLSFNYFC-HSZRJFAPSA-N 1 0 350.506 5.037 1 0 FKAFRO CC[C@]1(CCC[NH2+]C)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O ZINC000028528303 535946192 /nfs/dbraw/zinc/94/61/92/535946192.db2.gz GWNCELRRXGHFMX-QFIPXVFZSA-N 1 0 370.924 5.265 1 0 FKAFRO C[C@@H](Cn1ccc2ccc3ncccc3c21)[NH2+]Cc1ccc2ccccc2c1 ZINC000028568333 204884420 /nfs/dbraw/zinc/88/44/20/204884420.db2.gz HECOADMZVNOEPY-SFHVURJKSA-N 1 0 365.480 5.521 1 0 FKAFRO CCc1cc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)[s+]1 ZINC000028649305 204887683 /nfs/dbraw/zinc/88/76/83/204887683.db2.gz LJLGAAXPVCSPRE-UHFFFAOYSA-N 1 0 363.550 6.058 1 0 FKAFRO OC1(c2ccccc2)CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028708064 211495005 /nfs/dbraw/zinc/49/50/05/211495005.db2.gz VJCUYHKRHUNZBN-UHFFFAOYSA-N 1 0 371.524 5.192 1 0 in-vivo FKAFRO Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000028708172 207971613 /nfs/dbraw/zinc/97/16/13/207971613.db2.gz GBDUIWBXAKZJPC-DEOSSOPVSA-N 1 0 357.497 5.068 1 0 in-vivo FKAFRO Cc1ccc(C2(O)CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028817092 211498399 /nfs/dbraw/zinc/49/83/99/211498399.db2.gz ZDADQNJEUZQHKH-UHFFFAOYSA-N 1 0 357.497 5.068 1 0 in-vivo FKAFRO CCc1ccc(C2(O)CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028817094 211498592 /nfs/dbraw/zinc/49/85/92/211498592.db2.gz JHTQREMVHFRWEJ-UHFFFAOYSA-N 1 0 371.524 5.322 1 0 in-vivo FKAFRO CSc1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCC[N@H+](C)C1 ZINC000028821635 136153567 /nfs/dbraw/zinc/15/35/67/136153567.db2.gz GKDHCOFVJKDDND-OAHLLOKOSA-N 1 0 356.560 5.353 1 0 FKAFRO CSc1ccc2c(c1)Sc1ccccc1N2C[C@H]1CCC[N@H+](C)C1 ZINC000028821636 136153499 /nfs/dbraw/zinc/15/34/99/136153499.db2.gz GKDHCOFVJKDDND-HNNXBMFYSA-N 1 0 356.560 5.353 1 0 FKAFRO CCCC[C@@H]1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000028821798 136153571 /nfs/dbraw/zinc/15/35/71/136153571.db2.gz OTPNVPYDTCYPTA-ABAIWWIYSA-N 1 0 368.365 5.068 1 0 FKAFRO CCCC[C@H]1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000028821799 136153485 /nfs/dbraw/zinc/15/34/85/136153485.db2.gz OTPNVPYDTCYPTA-NHYWBVRUSA-N 1 0 368.365 5.068 1 0 FKAFRO CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@@H](C)[NH2+]1 ZINC000028973421 291086561 /nfs/dbraw/zinc/08/65/61/291086561.db2.gz LRKWDKCSHJWJST-BAGYTPMASA-N 1 0 367.574 5.329 1 0 biogenic,in-vivo FKAFRO CC(C)C[NH2+][C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 ZINC000029037473 136153638 /nfs/dbraw/zinc/15/36/38/136153638.db2.gz PIAONASJEJIRRU-LAUBAEHRSA-N 1 0 356.897 5.401 1 0 FKAFRO CC[C@H]1CCC[C@@]23CC[N@H+](CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000029477559 207991429 /nfs/dbraw/zinc/99/14/29/207991429.db2.gz KAOWEHFUQIEFQN-ZQAWKMMESA-N 1 0 353.550 5.190 1 0 FKAFRO CCC[NH+](CCC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000029486289 207992337 /nfs/dbraw/zinc/99/23/37/207992337.db2.gz LBQHPPISBXXENG-NQIIRXRSSA-N 1 0 362.344 6.692 1 0 FKAFRO c1ccc([C@@H]2C[N@@H+](CCCc3cccnc3)Cc3c4ccccc4[nH]c32)cc1 ZINC000029489243 207993898 /nfs/dbraw/zinc/99/38/98/207993898.db2.gz JULFDEFXVAZHOF-QFIPXVFZSA-N 1 0 367.496 5.143 1 0 FKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccc(Cl)cc2n2cccc12 ZINC000029571974 211514623 /nfs/dbraw/zinc/51/46/23/211514623.db2.gz CDQPPKDSDRGCJT-OAHLLOKOSA-N 1 0 358.917 5.063 1 0 FKAFRO CC1(C)CCc2c1ccc1c2CCc2cc(OCC[NH+]3CCCC3)ccc2-1 ZINC000033828488 211612418 /nfs/dbraw/zinc/61/24/18/211612418.db2.gz PMVGQBXQIGQQAY-UHFFFAOYSA-N 1 0 361.529 5.151 1 0 FKAFRO CC(C)(C)C1(O)CC[NH+](CC2c3ccccc3C=Cc3ccccc32)CC1 ZINC000033865076 208101182 /nfs/dbraw/zinc/10/11/82/208101182.db2.gz XLRXQKXVTVFZOO-UHFFFAOYSA-N 1 0 361.529 5.175 1 0 FKAFRO Fc1ccc(-c2[nH]cc(C3=CC[N@@H+]4CCCC[C@@H]4C3)c2-c2ccncc2)cc1 ZINC000033983767 208102118 /nfs/dbraw/zinc/10/21/18/208102118.db2.gz XDGNTQXBOQQVHL-OAQYLSRUSA-N 1 0 373.475 5.524 1 0 FKAFRO C[NH2+]Cc1ccc(C(F)(F)F)cc1Oc1ccc(Cl)c(Cl)c1 ZINC000034043497 208102721 /nfs/dbraw/zinc/10/27/21/208102721.db2.gz ONXYECUKUIZIBT-UHFFFAOYSA-N 1 0 350.167 5.524 1 0 FKAFRO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1)c1ccccc1 ZINC000034337996 211616090 /nfs/dbraw/zinc/61/60/90/211616090.db2.gz CLYMVAVVSSYJKT-MAOIWGCQSA-N 1 0 369.508 5.291 1 0 FKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3nc4ccccc4s3)ccc2c1 ZINC000034612596 208105629 /nfs/dbraw/zinc/10/56/29/208105629.db2.gz JUQKBZXPODCAKJ-MRXNPFEDSA-N 1 0 373.525 5.538 1 0 FKAFRO C[C@H]([NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1ccccc1 ZINC000035049335 208116100 /nfs/dbraw/zinc/11/61/00/208116100.db2.gz UBCANUJMHQFBRX-ORAYPTAESA-N 1 0 369.306 5.659 1 0 FKAFRO Clc1cccc2c(C3CC[NH+](CC4CCCCCCC4)CC3)c[nH]c21 ZINC000036221510 220808713 /nfs/dbraw/zinc/80/87/13/220808713.db2.gz PFOKKLNWASJYSD-UHFFFAOYSA-N 1 0 358.957 6.361 1 0 FKAFRO Cc1[nH]c2ccc(Cl)cc2c1C1CC[NH+](CC2CCCCCCC2)CC1 ZINC000036221521 208151851 /nfs/dbraw/zinc/15/18/51/208151851.db2.gz SQLQPFWDGFNBPE-UHFFFAOYSA-N 1 0 372.984 6.670 1 0 FKAFRO Fc1ccc2[nH]cc(C3CC[NH+]([C@H]4Cc5cccc6cccc4c56)CC3)c2c1 ZINC000036221528 220808287 /nfs/dbraw/zinc/80/82/87/220808287.db2.gz KSNSVNQHQZZXOD-DEOSSOPVSA-N 1 0 370.471 5.937 1 0 FKAFRO Fc1ccc2[nH]cc(C3CC[NH+]([C@@H]4Cc5cccc6cccc4c56)CC3)c2c1 ZINC000036221531 211657478 /nfs/dbraw/zinc/65/74/78/211657478.db2.gz KSNSVNQHQZZXOD-XMMPIXPASA-N 1 0 370.471 5.937 1 0 FKAFRO Fc1ccc2[nH]cc(C3CC[NH+](Cc4cccc5ccccc54)CC3)c2c1 ZINC000036221540 205008290 /nfs/dbraw/zinc/00/82/90/205008290.db2.gz IFANUTQMGTZRMI-UHFFFAOYSA-N 1 0 358.460 5.840 1 0 FKAFRO Fc1ccc2c(c1)[nH]cc2C1CC[NH+]([C@H]2Cc3cccc4cccc2c34)CC1 ZINC000036222031 208152917 /nfs/dbraw/zinc/15/29/17/208152917.db2.gz DVBJVGHTTIHWNV-DEOSSOPVSA-N 1 0 370.471 5.937 1 0 FKAFRO Cn1cc(C2CC[NH+]([C@@H]3Cc4cccc5cccc3c45)CC2)c2cccnc21 ZINC000036222039 205008882 /nfs/dbraw/zinc/00/88/82/205008882.db2.gz WAXLJMZPFIHYPG-HSZRJFAPSA-N 1 0 367.496 5.203 1 0 FKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2ncc(-c4ccccc4)o2)[N@@H+]3C)cc1 ZINC000036270954 205008471 /nfs/dbraw/zinc/00/84/71/205008471.db2.gz GUXROWKWRXBXAG-JFYQVNSESA-N 1 0 358.485 5.384 1 0 FKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)[N@@H+]3C)cc1 ZINC000036271012 208152571 /nfs/dbraw/zinc/15/25/71/208152571.db2.gz SSEYJTZXHQMBJU-CETSDDCJSA-N 1 0 358.485 5.384 1 0 FKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)[N@@H+]3C)cc1 ZINC000036271014 208153027 /nfs/dbraw/zinc/15/30/27/208153027.db2.gz SSEYJTZXHQMBJU-ZBJYJBBSSA-N 1 0 358.485 5.384 1 0 FKAFRO Fc1ccc2c(C3=CC[N@@H+]([C@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 ZINC000036311391 208151601 /nfs/dbraw/zinc/15/16/01/208151601.db2.gz OXZFNGHFFSZQER-DEOSSOPVSA-N 1 0 368.455 5.847 1 0 FKAFRO Fc1ccc2c(C3=CC[N@@H+]([C@@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 ZINC000036311393 205009203 /nfs/dbraw/zinc/00/92/03/205009203.db2.gz OXZFNGHFFSZQER-XMMPIXPASA-N 1 0 368.455 5.847 1 0 FKAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2[nH+]1 ZINC000036351702 208157703 /nfs/dbraw/zinc/15/77/03/208157703.db2.gz WSVARIJKECKDOY-IZZDOVSWSA-N 1 0 365.864 5.075 1 0 FKAFRO CCCc1cc(N)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351741 205012492 /nfs/dbraw/zinc/01/24/92/205012492.db2.gz RRYDBJNIWFNDQU-UHFFFAOYSA-N 1 0 373.378 5.041 1 0 FKAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000036351810 205011577 /nfs/dbraw/zinc/01/15/77/205011577.db2.gz XVZPYZCIHYPCMH-MDWZMJQESA-N 1 0 373.500 5.545 1 0 FKAFRO CCCc1cc2c(s1)C[N@H+](C)C[C@H]2c1ccc(Br)cc1 ZINC000038157571 208199725 /nfs/dbraw/zinc/19/97/25/208199725.db2.gz MEBGJFJGTRYFQQ-INIZCTEOSA-N 1 0 350.325 5.040 1 0 FKAFRO c1csc([C@@H](NC2=[NH+]CCCCCCCCCCC2)c2ccccc2)c1 ZINC000039200604 208208646 /nfs/dbraw/zinc/20/86/46/208208646.db2.gz XZEHGVZIFWFDDJ-QHCPKHFHSA-N 1 0 368.590 6.740 1 0 FKAFRO Cc1cccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000039233844 208209173 /nfs/dbraw/zinc/20/91/73/208209173.db2.gz AOAIGKHFHYWSMX-VWLOTQADSA-N 1 0 362.561 5.229 1 0 FKAFRO Cc1cccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000039233845 205044966 /nfs/dbraw/zinc/04/49/66/205044966.db2.gz AOAIGKHFHYWSMX-RUZDIDTESA-N 1 0 362.561 5.229 1 0 FKAFRO Cc1ccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000039233850 208207732 /nfs/dbraw/zinc/20/77/32/208207732.db2.gz MXVGNFLAZDGHPE-VWLOTQADSA-N 1 0 362.561 5.229 1 0 FKAFRO CC[C@@H]1CCC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040373617 205066404 /nfs/dbraw/zinc/06/64/04/205066404.db2.gz KAOWEHFUQIEFQN-LKDDOFHYSA-N 1 0 353.550 5.190 1 0 FKAFRO Cc1ccccc1[C@](O)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000040374639 208249631 /nfs/dbraw/zinc/24/96/31/208249631.db2.gz CSEFBNLLZLOJNN-IMSXRSKXSA-N 1 0 351.534 5.274 1 0 FKAFRO C[C@@H]([NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1ccccc1 ZINC000040379455 205068336 /nfs/dbraw/zinc/06/83/36/205068336.db2.gz UBCANUJMHQFBRX-BFUOFWGJSA-N 1 0 369.306 5.659 1 0 FKAFRO Fc1cc(Cl)ccc1CN1CCC([NH2+]CC2=CCCCCCC2)CC1 ZINC000040395653 208250773 /nfs/dbraw/zinc/25/07/73/208250773.db2.gz YJVLVRJBNDZAOW-UHFFFAOYSA-N 1 0 364.936 5.314 1 0 FKAFRO C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000040401842 205069680 /nfs/dbraw/zinc/06/96/80/205069680.db2.gz GRXVSGFWVGQEOE-CPJSRVTESA-N 1 0 357.497 5.006 1 0 FKAFRO c1ccc2sc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1 ZINC000040413869 581091971 /nfs/dbraw/zinc/09/19/71/581091971.db2.gz PWXUWRGUUIWKNG-UHFFFAOYSA-N 1 0 368.502 5.343 1 0 FKAFRO COc1cc2cc(C)[n+](-c3ccc(C(C)(C)C)cc3)c(C)c2c(OC)c1 ZINC000040420709 208252917 /nfs/dbraw/zinc/25/29/17/208252917.db2.gz LRLTYUZBIKONSE-UHFFFAOYSA-N 1 0 350.482 5.048 1 0 FKAFRO CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1Cl ZINC000040429160 205070737 /nfs/dbraw/zinc/07/07/37/205070737.db2.gz XOZXBUKMDWEZOX-UHFFFAOYSA-N 1 0 374.315 6.173 1 0 FKAFRO COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000040461374 208255677 /nfs/dbraw/zinc/25/56/77/208255677.db2.gz URDKDABBNGKIDR-BKOZITRISA-N 1 0 353.550 5.046 1 0 FKAFRO CCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000040472003 205071473 /nfs/dbraw/zinc/07/14/73/205071473.db2.gz FBINLPWZDBDJAV-UXHICEINSA-N 1 0 369.380 5.265 1 0 FKAFRO CN(/C=C1/c2ccccc2N(c2cccc(Cl)c2)C1=O)Cc1ccccc1 ZINC000040496743 208255139 /nfs/dbraw/zinc/25/51/39/208255139.db2.gz DZCULTSUVCZHKB-PGMHBOJBSA-N 1 0 374.871 5.491 1 0 FKAFRO CC(C)C(=O)c1ccc2c(c1)/C(=C\[C@@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000040511624 208255189 /nfs/dbraw/zinc/25/51/89/208255189.db2.gz GKZBVRLWQPIFCM-BKAYVGFPSA-N 1 0 365.542 5.619 1 0 FKAFRO CCC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000040511651 208255080 /nfs/dbraw/zinc/25/50/80/208255080.db2.gz JFOBSYHELCDDBZ-PWDRBQJJSA-N 1 0 351.515 5.373 1 0 FKAFRO CCC(=O)c1ccc2c(c1)/C(=C\[C@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000040511652 205071397 /nfs/dbraw/zinc/07/13/97/205071397.db2.gz JFOBSYHELCDDBZ-BRYHAGSVSA-N 1 0 351.515 5.373 1 0 FKAFRO CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CCc1ccccc1)CC3 ZINC000040640798 205074084 /nfs/dbraw/zinc/07/40/84/205074084.db2.gz ILPOFDRRJCJAHC-SKBVVQJISA-N 1 0 373.540 5.190 1 0 FKAFRO C[N@H+]1Cc2c(NC(=O)OCc3ccccc3)cccc2[C@@H](c2ccccc2)C1 ZINC000040641537 205075002 /nfs/dbraw/zinc/07/50/02/205075002.db2.gz YCXQGXRGCFDGSF-OAQYLSRUSA-N 1 0 372.468 5.013 1 0 FKAFRO CC[C@H]1[C@H](C)CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040690431 208264183 /nfs/dbraw/zinc/26/41/83/208264183.db2.gz GBDVUTUHHVNACT-ODJGSJHLSA-N 1 0 367.577 5.436 1 0 FKAFRO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@]2(CC[C@@H]1C)CC[N@@H+]3CC1CCC1 ZINC000040690433 208262732 /nfs/dbraw/zinc/26/27/32/208262732.db2.gz GBDVUTUHHVNACT-OUZCYRFOSA-N 1 0 367.577 5.436 1 0 FKAFRO CC[C@H]1[C@H](C)CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040690435 208263116 /nfs/dbraw/zinc/26/31/16/208263116.db2.gz GBDVUTUHHVNACT-PHRSOMKHSA-N 1 0 367.577 5.436 1 0 FKAFRO CC[C@H]1[C@H](C)CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040701175 208263808 /nfs/dbraw/zinc/26/38/08/208263808.db2.gz LOXDVVJBFLMGGL-QLEPVXASSA-N 1 0 353.550 5.133 1 0 FKAFRO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CC[C@@H]1C)CC[N@@H+]3CC1CCC1 ZINC000040701177 205076673 /nfs/dbraw/zinc/07/66/73/205076673.db2.gz LOXDVVJBFLMGGL-AZRGUKFXSA-N 1 0 353.550 5.133 1 0 FKAFRO CC[C@H]1[C@H](C)CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040701179 205076717 /nfs/dbraw/zinc/07/67/17/205076717.db2.gz LOXDVVJBFLMGGL-SBWAFVPDSA-N 1 0 353.550 5.133 1 0 FKAFRO CC(C)C(=O)c1ccc2c(c1)/C(=C\CC[NH+](C)C)c1ccccc1S2 ZINC000040719178 220916561 /nfs/dbraw/zinc/91/65/61/220916561.db2.gz ZKFMEGNGUFGUTG-MFOYZWKCSA-N 1 0 351.515 5.373 1 0 FKAFRO CCC(=O)c1ccc2c(c1)/C(=C\[C@@H](CC)C[NH+](C)C)c1ccccc1S2 ZINC000040719770 208263517 /nfs/dbraw/zinc/26/35/17/208263517.db2.gz JTRFBVUSWMSNNE-YZYPPFLQSA-N 1 0 365.542 5.763 1 0 FKAFRO CCC(=O)c1ccc2c(c1)/C(=C\[C@H](CC)C[NH+](C)C)c1ccccc1S2 ZINC000040719772 205077032 /nfs/dbraw/zinc/07/70/32/205077032.db2.gz JTRFBVUSWMSNNE-UEIJICEPSA-N 1 0 365.542 5.763 1 0 FKAFRO C[NH2+][C@@H](C)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000040846011 205083478 /nfs/dbraw/zinc/08/34/78/205083478.db2.gz FZIODVGUIQNDEG-VIFPVBQESA-N 1 0 364.194 6.085 1 0 FKAFRO C[NH2+][C@H](C)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000040846013 208271265 /nfs/dbraw/zinc/27/12/65/208271265.db2.gz FZIODVGUIQNDEG-SECBINFHSA-N 1 0 364.194 6.085 1 0 FKAFRO c1ccc2c3nc(-c4ccc(OCC[NH+]5CCCC5)cc4)oc3ccc2c1 ZINC000040848631 205082899 /nfs/dbraw/zinc/08/28/99/205082899.db2.gz UQBGWNZEDUUJOK-UHFFFAOYSA-N 1 0 358.441 5.123 1 0 FKAFRO c1ccc2c3nc(-c4ccc(OCCC[NH+]5CCCC5)cc4)oc3ccc2c1 ZINC000040860050 208272566 /nfs/dbraw/zinc/27/25/66/208272566.db2.gz UAADJIGHCWVNEH-UHFFFAOYSA-N 1 0 372.468 5.513 1 0 FKAFRO C[NH2+]CCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000040861516 220923573 /nfs/dbraw/zinc/92/35/73/220923573.db2.gz JYDSPORIDWNWOG-SFHVURJKSA-N 1 0 358.312 6.278 1 0 FKAFRO CC[NH+](CC)CCCOc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000040863883 220922874 /nfs/dbraw/zinc/92/28/74/220922874.db2.gz DLJQPWBVDBULKI-UHFFFAOYSA-N 1 0 374.484 5.759 1 0 FKAFRO Clc1ccc2c(c1)nccc2NCC[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000040875272 208272256 /nfs/dbraw/zinc/27/22/56/208272256.db2.gz XROLUQWWPXRCJD-UHFFFAOYSA-N 1 0 369.940 5.106 1 0 FKAFRO O=C1CC[C@@H]([N@H+](Cc2ccc3ccccc3c2)C2CCCC2)c2ccccc21 ZINC000040876864 205083686 /nfs/dbraw/zinc/08/36/86/205083686.db2.gz CXEISEMDSGMVHN-RUZDIDTESA-N 1 0 369.508 6.302 1 0 FKAFRO O=C1CC[C@H]([N@H+](Cc2ccc3ccccc3c2)C2CCCC2)c2ccccc21 ZINC000040876866 208272278 /nfs/dbraw/zinc/27/22/78/208272278.db2.gz CXEISEMDSGMVHN-VWLOTQADSA-N 1 0 369.508 6.302 1 0 FKAFRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040878130 208272337 /nfs/dbraw/zinc/27/23/37/208272337.db2.gz IWOBORNYYLIANT-YIONKMFJSA-N 1 0 362.300 5.071 1 0 FKAFRO CC(C)C[NH2+]Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 ZINC000040900836 208275391 /nfs/dbraw/zinc/27/53/91/208275391.db2.gz YLMXYRPQVCWEQW-UHFFFAOYSA-N 1 0 374.484 5.057 1 0 FKAFRO CCCCc1ccc(-[n+]2c(C)cc3cc(OC)cc(OC)c3c2C)cc1 ZINC000040919090 208275548 /nfs/dbraw/zinc/27/55/48/208275548.db2.gz GZHCQOCJZIUAKO-UHFFFAOYSA-N 1 0 350.482 5.093 1 0 FKAFRO C[NH+](C)Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000040936376 208276899 /nfs/dbraw/zinc/27/68/99/208276899.db2.gz UNSWDCIYZPOJLJ-UHFFFAOYSA-N 1 0 374.200 5.322 1 0 FKAFRO Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CC[NH2+]CC1 ZINC000040937075 208276703 /nfs/dbraw/zinc/27/67/03/208276703.db2.gz QPXKAMQOXFPFPC-UHFFFAOYSA-N 1 0 350.289 5.348 1 0 FKAFRO Clc1ccc2c(c1)nccc2Nc1ccc(Cl)c(C[NH+]2CCCC2)c1 ZINC000040953745 208277164 /nfs/dbraw/zinc/27/71/64/208277164.db2.gz GKIIERMSLWYOBW-UHFFFAOYSA-N 1 0 372.299 5.881 1 0 FKAFRO CC[NH+](CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc32)c1C ZINC000040956395 208277184 /nfs/dbraw/zinc/27/71/84/208277184.db2.gz ZCQJAXOTYHZSHR-UHFFFAOYSA-N 1 0 356.901 5.024 1 0 FKAFRO Cc1cc(C[NH2+]C(C)(C)C)c(C)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040956849 208276267 /nfs/dbraw/zinc/27/62/67/208276267.db2.gz GQRKHKQUENIFSI-UHFFFAOYSA-N 1 0 356.901 5.070 1 0 FKAFRO Brc1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000040957248 211765158 /nfs/dbraw/zinc/76/51/58/211765158.db2.gz KXBFWTYSHRXHFV-QGZVFWFLSA-N 1 0 355.279 5.098 1 0 FKAFRO C[C@H]([NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)c1ccccc1 ZINC000040975097 208278236 /nfs/dbraw/zinc/27/82/36/208278236.db2.gz UBCANUJMHQFBRX-DJJJIMSYSA-N 1 0 369.306 5.659 1 0 FKAFRO CC[NH+](CC)CCOc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000040980402 205086056 /nfs/dbraw/zinc/08/60/56/205086056.db2.gz WXOJCIMYUMWKPK-UHFFFAOYSA-N 1 0 360.457 5.369 1 0 FKAFRO C[NH2+]CCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000040980978 208278688 /nfs/dbraw/zinc/27/86/88/208278688.db2.gz JYDSPORIDWNWOG-GOSISDBHSA-N 1 0 358.312 6.278 1 0 FKAFRO CN1c2ccccc2S/C1=C\C=C/C=C\c1sc2ccccc2[n+]1C ZINC000042682000 208295366 /nfs/dbraw/zinc/29/53/66/208295366.db2.gz BREIFVQIRDIHRZ-UHFFFAOYSA-N 1 0 363.531 5.379 1 0 FKAFRO C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000043010995 211784205 /nfs/dbraw/zinc/78/42/05/211784205.db2.gz HZNTWQAMIOKCMC-JTSKRJEESA-N 1 0 369.530 5.166 1 0 FKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cl)cc(CNc4ccccc4)c3)cc2c1 ZINC000043061965 220944852 /nfs/dbraw/zinc/94/48/52/220944852.db2.gz SLDKYTOXSRNXDQ-UHFFFAOYSA-N 1 0 374.875 5.384 1 0 FKAFRO CCCCCCSc1cc(Cl)c(C(=O)CC[NH+](C)C)c(Cl)c1 ZINC000043067844 205100052 /nfs/dbraw/zinc/10/00/52/205100052.db2.gz FMAGUGAMAUFDGT-UHFFFAOYSA-N 1 0 362.366 5.800 1 0 FKAFRO CCCCCCSc1cc(Cl)c(C(=O)CC[NH+](C)C)cc1Cl ZINC000043074869 208300962 /nfs/dbraw/zinc/30/09/62/208300962.db2.gz STBRKDPOEHLRAR-UHFFFAOYSA-N 1 0 362.366 5.800 1 0 FKAFRO CC1=C(c2ccc(OCCC[NH+]3CCCC3)cc2)Oc2ccccc2S1 ZINC000043075962 208300076 /nfs/dbraw/zinc/30/00/76/208300076.db2.gz DREYZGCIOLBBDK-UHFFFAOYSA-N 1 0 367.514 5.425 1 0 FKAFRO Clc1cc(Cl)c(Cl)c(O[C@@H](c2cccnc2)C2CC[NH2+]CC2)c1 ZINC000043077353 205101507 /nfs/dbraw/zinc/10/15/07/205101507.db2.gz JPUDXOCAZQSFHB-QGZVFWFLSA-N 1 0 371.695 5.162 1 0 FKAFRO Clc1cc(Cl)c(Cl)c(O[C@H](c2cccnc2)C2CC[NH2+]CC2)c1 ZINC000043077356 205100468 /nfs/dbraw/zinc/10/04/68/205100468.db2.gz JPUDXOCAZQSFHB-KRWDZBQOSA-N 1 0 371.695 5.162 1 0 FKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cl)cc(NCc4ccccc4)c3)cc2c1 ZINC000043120401 205101661 /nfs/dbraw/zinc/10/16/61/205101661.db2.gz SKFUFXUGLMAUOW-UHFFFAOYSA-N 1 0 374.875 5.384 1 0 FKAFRO COc1ccc2c(NCCc3ccccc3)cc(-c3ccccc3)[nH+]c2c1 ZINC000045168581 205117297 /nfs/dbraw/zinc/11/72/97/205117297.db2.gz NQTSFNIRFGNOCM-UHFFFAOYSA-N 1 0 354.453 5.565 1 0 FKAFRO O=C1c2ccccc2CC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000045189105 208327440 /nfs/dbraw/zinc/32/74/40/208327440.db2.gz DJIOHAKTOGKYTN-FQEVSTJZSA-N 1 0 370.496 5.092 1 0 FKAFRO C[N@@H+]1CCCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1 ZINC000045191127 205117026 /nfs/dbraw/zinc/11/70/26/205117026.db2.gz RBETUVSLZGJPDW-UHFFFAOYSA-N 1 0 364.276 5.015 1 0 FKAFRO Cc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000045192118 208326749 /nfs/dbraw/zinc/32/67/49/208326749.db2.gz JGFUFQSXEHUHTN-UHFFFAOYSA-N 1 0 361.485 5.087 1 0 FKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]C(C)C)c4)c3)nc21 ZINC000045193162 208327797 /nfs/dbraw/zinc/32/77/97/208327797.db2.gz BQTFBWWLNLOTNB-UHFFFAOYSA-N 1 0 355.485 5.703 1 0 FKAFRO c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCCCC5)c4)c3)nc2c1 ZINC000045195654 205117698 /nfs/dbraw/zinc/11/76/98/205117698.db2.gz RYCSHOBLDALYDM-UHFFFAOYSA-N 1 0 367.496 5.883 1 0 FKAFRO C[NH+](C)Cc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000045195798 205118054 /nfs/dbraw/zinc/11/80/54/205118054.db2.gz WNXVAMGCBICGOU-UHFFFAOYSA-N 1 0 364.876 5.321 1 0 FKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CC(C)C)cc4)cc3)nc21 ZINC000045201322 205117969 /nfs/dbraw/zinc/11/79/69/205117969.db2.gz ATGPWJDPLMQUGE-UHFFFAOYSA-N 1 0 369.512 5.951 1 0 FKAFRO CC(C)[NH2+]Cc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045202500 205117224 /nfs/dbraw/zinc/11/72/24/205117224.db2.gz XNVVVCWHNQBIAY-UHFFFAOYSA-N 1 0 359.448 5.534 1 0 FKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]C(C)C)cc4)cc3)nc21 ZINC000045227573 205119237 /nfs/dbraw/zinc/11/92/37/205119237.db2.gz UTRYHXKVUVLYCQ-UHFFFAOYSA-N 1 0 355.485 5.703 1 0 FKAFRO c1sc(-c2nc3ccccc3[nH]2)cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC000045229228 208327106 /nfs/dbraw/zinc/32/71/06/208327106.db2.gz VHBRBPFMAGUZBO-UHFFFAOYSA-N 1 0 373.525 5.944 1 0 FKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH+]c4c(c(N)c3c2)CCCC4)cc1 ZINC000045231405 205118623 /nfs/dbraw/zinc/11/86/23/205118623.db2.gz PNNISCWOYXEBIB-UHFFFAOYSA-N 1 0 373.500 5.246 1 0 FKAFRO CC(C)[NH2+]Cc1cccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000045238497 205119615 /nfs/dbraw/zinc/11/96/15/205119615.db2.gz BBJYRMWFPMRPRI-UHFFFAOYSA-N 1 0 362.448 5.243 1 0 FKAFRO COc1cc2c(cc1Cl)CC[NH2+][C@@H]2Cc1ccc(Cl)cc1Cl ZINC000045259662 205119590 /nfs/dbraw/zinc/11/95/90/205119590.db2.gz KURLGTMWNJTVCR-MRXNPFEDSA-N 1 0 356.680 5.085 1 0 FKAFRO FCCC[C@H]1OC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000045260767 208328815 /nfs/dbraw/zinc/32/88/15/208328815.db2.gz VCRRGVDRNWQLNT-OAQYLSRUSA-N 1 0 357.444 5.138 1 0 FKAFRO COc1cccc2c1CCC[C@H]2OCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000045261983 205119413 /nfs/dbraw/zinc/11/94/13/205119413.db2.gz KLNBYXPVESPEMQ-XMMPIXPASA-N 1 0 371.565 5.382 1 0 FKAFRO C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](CCCF)c1ccccc12 ZINC000045283517 205119723 /nfs/dbraw/zinc/11/97/23/205119723.db2.gz ZAXUCBNRIKRZHS-PGRDOPGGSA-N 1 0 353.481 5.560 1 0 FKAFRO C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](CCCF)c1ccccc12 ZINC000045283518 205118761 /nfs/dbraw/zinc/11/87/61/205118761.db2.gz ZAXUCBNRIKRZHS-XMSQKQJNSA-N 1 0 353.481 5.560 1 0 FKAFRO Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CC[NH2+]CC2)c1 ZINC000045283811 205118434 /nfs/dbraw/zinc/11/84/34/205118434.db2.gz ROZQUSZIXUCKCC-UHFFFAOYSA-N 1 0 354.252 5.179 1 0 FKAFRO Cc1ccc(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000045285961 208330560 /nfs/dbraw/zinc/33/05/60/208330560.db2.gz DIADJINIBFEMEL-UHFFFAOYSA-N 1 0 371.524 5.143 1 0 in-vitro FKAFRO Cc1ccc([C@H](CC[NH+](C)C)NC(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000045286037 208330032 /nfs/dbraw/zinc/33/00/32/208330032.db2.gz BWJBNDNMEHLJIV-DEOSSOPVSA-N 1 0 372.512 5.085 1 0 FKAFRO Cc1ccc([C@@H](CC[NH+](C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000045286298 220968596 /nfs/dbraw/zinc/96/85/96/220968596.db2.gz PKZUKNKGFLPJNY-XMMPIXPASA-N 1 0 372.512 5.085 1 0 FKAFRO Cc1ccc([C@H](CC[NH+](C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000045286300 205118911 /nfs/dbraw/zinc/11/89/11/205118911.db2.gz PKZUKNKGFLPJNY-DEOSSOPVSA-N 1 0 372.512 5.085 1 0 FKAFRO FC(F)(F)c1cccc(-c2nc3c(s2)C[N@@H+](C2CCCC2)CC3)c1 ZINC000045289285 205118669 /nfs/dbraw/zinc/11/86/69/205118669.db2.gz CURFELRMJIZYRA-UHFFFAOYSA-N 1 0 352.425 5.130 1 0 FKAFRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000045289770 205118966 /nfs/dbraw/zinc/11/89/66/205118966.db2.gz SKNFXIHUJHJEBB-DNVCBOLYSA-N 1 0 373.422 5.693 1 0 FKAFRO O=C1C[C@@H]([N@H+](Cc2ccccc2)[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000045300232 205119522 /nfs/dbraw/zinc/11/95/22/205119522.db2.gz AAEFZAOPNBNCRL-RCZVLFRGSA-N 1 0 367.492 5.374 1 0 FKAFRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12 ZINC000045302854 208330403 /nfs/dbraw/zinc/33/04/03/208330403.db2.gz OUVRMVVWPYKHHU-QHCPKHFHSA-N 1 0 362.517 5.202 1 0 FKAFRO CC(C)C[NH2+]Cc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045303105 208329569 /nfs/dbraw/zinc/32/95/69/208329569.db2.gz KARNAGDVURJWLT-UHFFFAOYSA-N 1 0 355.485 5.643 1 0 FKAFRO c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCCC5)cc4)c3)nc2c1 ZINC000045303122 208329371 /nfs/dbraw/zinc/32/93/71/208329371.db2.gz ZHOLRJQSIKYISX-UHFFFAOYSA-N 1 0 353.469 5.493 1 0 FKAFRO Cc1cccc(C)c1C[NH+]1CCC2(CC1)O[C@@H](CCCF)c1ccccc12 ZINC000045320320 205120264 /nfs/dbraw/zinc/12/02/64/205120264.db2.gz OSMJKVMHONOYHA-QHCPKHFHSA-N 1 0 367.508 5.616 1 0 FKAFRO c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCCCC5)cc4)c3)nc2c1 ZINC000045321030 208330292 /nfs/dbraw/zinc/33/02/92/208330292.db2.gz PPHXALKPJYFXOJ-UHFFFAOYSA-N 1 0 367.496 5.883 1 0 FKAFRO CC(C)Sc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000045322605 211813601 /nfs/dbraw/zinc/81/36/01/211813601.db2.gz PEMJBGWIXSBYQD-QRWLVFNGSA-N 1 0 363.954 5.095 1 0 FKAFRO CC(C)Sc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000045322608 205120034 /nfs/dbraw/zinc/12/00/34/205120034.db2.gz PEMJBGWIXSBYQD-YWZLYKJASA-N 1 0 363.954 5.095 1 0 FKAFRO CC(C)Sc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000045322611 205120531 /nfs/dbraw/zinc/12/05/31/205120531.db2.gz PEMJBGWIXSBYQD-FOIQADDNSA-N 1 0 363.954 5.095 1 0 FKAFRO [NH3+]C[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045337970 132951281 /nfs/dbraw/zinc/95/12/81/132951281.db2.gz BDEPEXOFFGBLLA-SGTLLEGYSA-N 1 0 369.723 5.563 1 0 FKAFRO CCO[C@H](c1ccc(C(F)(F)F)cc1)[C@H](OC(C)(C)C)n1cnc(C)c1 ZINC000045355887 208332518 /nfs/dbraw/zinc/33/25/18/208332518.db2.gz OZBDUANXCWNNPS-SJORKVTESA-N 1 0 370.415 5.302 1 0 FKAFRO CC(C)(C)[N@H+](CCC(=O)c1cc2ccccc2s1)Cc1ccccc1 ZINC000045355993 208331372 /nfs/dbraw/zinc/33/13/72/208331372.db2.gz AZUMQCHYXSJVJB-UHFFFAOYSA-N 1 0 351.515 5.775 1 0 FKAFRO CCO[C@H](c1cc(Cl)cc(Cl)c1)[C@H](SC(C)(C)C)n1ccnc1 ZINC000045357641 208331589 /nfs/dbraw/zinc/33/15/89/208331589.db2.gz TXBNGJUWIZRYNB-CVEARBPZSA-N 1 0 373.349 5.998 1 0 FKAFRO CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 ZINC000045358621 208331750 /nfs/dbraw/zinc/33/17/50/208331750.db2.gz LIQHJFUFDAHGIS-IAGOWNOFSA-N 1 0 352.931 5.653 1 0 FKAFRO [NH3+]C[C@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000045358831 209327181 /nfs/dbraw/zinc/32/71/81/209327181.db2.gz LOIQBFGRVRSEIL-SFTDATJTSA-N 1 0 372.295 5.799 1 0 FKAFRO [NH3+]C[C@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000045358835 209325946 /nfs/dbraw/zinc/32/59/46/209325946.db2.gz LOIQBFGRVRSEIL-LEWJYISDSA-N 1 0 372.295 5.799 1 0 FKAFRO CCO[C@@H](c1ccc2sccc2c1)[C@H](SC(C)(C)C)n1ccnc1 ZINC000045364715 208331435 /nfs/dbraw/zinc/33/14/35/208331435.db2.gz IUJKCXJHRZUPQZ-ROUUACIJSA-N 1 0 360.548 5.906 1 0 FKAFRO NC(=[NH2+])c1cc2cc(-c3cccc(OCc4ccccc4)c3)ccc2s1 ZINC000045365658 205121413 /nfs/dbraw/zinc/12/14/13/205121413.db2.gz HCMFEDPYXOWDMW-UHFFFAOYSA-N 1 0 358.466 5.431 1 0 in-vivo FKAFRO COc1cccc2c(CC[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)coc21 ZINC000045366329 208332311 /nfs/dbraw/zinc/33/23/11/208332311.db2.gz XQCLCGLKJFCJMT-UHFFFAOYSA-N 1 0 372.468 5.255 1 0 FKAFRO CCO[C@H](c1cccc(Cl)c1)[C@@H](SC(C)(C)C)n1cnc(C)c1 ZINC000045366958 208331954 /nfs/dbraw/zinc/33/19/54/208331954.db2.gz FGZAOCWSFPMXJL-IAGOWNOFSA-N 1 0 352.931 5.653 1 0 FKAFRO CCCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 ZINC000045367041 208332021 /nfs/dbraw/zinc/33/20/21/208332021.db2.gz NPXXXZGTBMEGTC-MSOLQXFVSA-N 1 0 366.958 6.043 1 0 FKAFRO Brc1ccc2[nH]c3c[n+](CCCc4ccccc4)ccc3c2c1 ZINC000045368003 205122142 /nfs/dbraw/zinc/12/21/42/205122142.db2.gz OXCNAUDODZKRFZ-UHFFFAOYSA-O 1 0 366.282 5.004 1 0 FKAFRO C[C@@H](Cc1ccccc1)[NH2+]CCC1c2ccccc2CCc2ccccc21 ZINC000045374191 208331809 /nfs/dbraw/zinc/33/18/09/208331809.db2.gz XDNDLKMCEARGNF-FQEVSTJZSA-N 1 0 355.525 5.528 1 0 FKAFRO C[C@H](Cc1ccccc1)[NH2+]CCC1c2ccccc2CCc2ccccc21 ZINC000045374195 208330912 /nfs/dbraw/zinc/33/09/12/208330912.db2.gz XDNDLKMCEARGNF-HXUWFJFHSA-N 1 0 355.525 5.528 1 0 FKAFRO NC(=[NH2+])c1cc2cc(-c3cccc(OCCc4ccccc4)c3)ccc2s1 ZINC000045390782 208334396 /nfs/dbraw/zinc/33/43/96/208334396.db2.gz BVYUHVHWZYUWRD-UHFFFAOYSA-N 1 0 372.493 5.474 1 0 FKAFRO Fc1ccc2[nH]cc(C3=CC[N@H+](CCc4coc5ccccc45)CC3)c2c1 ZINC000045390935 205121023 /nfs/dbraw/zinc/12/10/23/205121023.db2.gz UQJKOGAIEZXISJ-UHFFFAOYSA-N 1 0 360.432 5.385 1 0 FKAFRO CC(C)(C)c1ccc([C@H](O[C@@H](C[NH3+])c2ccccc2)c2ccccc2)cc1 ZINC000045391501 205121291 /nfs/dbraw/zinc/12/12/91/205121291.db2.gz FUAZOBTVSMDITA-BJKOFHAPSA-N 1 0 359.513 5.790 1 0 FKAFRO CC(C)(C)c1ccc([C@@H](O[C@@H](C[NH3+])c2ccccc2)c2ccccc2)cc1 ZINC000045391505 208333570 /nfs/dbraw/zinc/33/35/70/208333570.db2.gz FUAZOBTVSMDITA-ZEQRLZLVSA-N 1 0 359.513 5.790 1 0 FKAFRO CC(C)(C)c1ccc([C@H](O[C@H](C[NH3+])c2ccccc2)c2ccccc2)cc1 ZINC000045391509 208333041 /nfs/dbraw/zinc/33/30/41/208333041.db2.gz FUAZOBTVSMDITA-DNQXCXABSA-N 1 0 359.513 5.790 1 0 FKAFRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 ZINC000045392160 208332773 /nfs/dbraw/zinc/33/27/73/208332773.db2.gz HMYMSZLQKFXEMI-CBQGHPETSA-N 1 0 359.513 5.680 1 0 FKAFRO Fc1ccc(Oc2ccc(-c3cc4ccc(C5=[NH+]CCN5)cc4[nH]3)cc2)cc1 ZINC000045392497 220971019 /nfs/dbraw/zinc/97/10/19/220971019.db2.gz YOJFIPSJNBCJRD-UHFFFAOYSA-N 1 0 371.415 5.116 1 0 FKAFRO CC(C)[N@H+](CCC(=O)c1ccc(Oc2ccccc2)cc1)Cc1ccccc1 ZINC000045393781 205121887 /nfs/dbraw/zinc/12/18/87/205121887.db2.gz QCZRAUBLGSITLN-UHFFFAOYSA-N 1 0 373.496 5.962 1 0 FKAFRO C[NH2+]C[C@H]1CC[C@H]2[C@H](c3cccs3)Nc3ccc(C(C)(C)C)cc3[C@H]2O1 ZINC000049050384 221017790 /nfs/dbraw/zinc/01/77/90/221017790.db2.gz USUYYJVVBRVSEY-XTCWOQMQSA-N 1 0 370.562 5.268 1 0 FKAFRO CCc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](CC[NH+](C)C)[C@@]3(C)CC[C@H]21 ZINC000049066653 208412350 /nfs/dbraw/zinc/41/23/50/208412350.db2.gz HWJACWVSWOZCGZ-FFVWILKPSA-N 1 0 355.566 5.379 1 0 FKAFRO CC[N@@H+]1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@@H]1C ZINC000049071724 221019183 /nfs/dbraw/zinc/01/91/83/221019183.db2.gz ASPRKFLJNYTNON-INIZCTEOSA-N 1 0 361.464 5.380 1 0 FKAFRO CSc1ccc([C@H]2CC(c3cccc(N)c3)=[NH+]N2c2ccccc2)cc1 ZINC000049088384 221019502 /nfs/dbraw/zinc/01/95/02/221019502.db2.gz KJLFAFDSRDXKAB-JOCHJYFZSA-N 1 0 359.498 5.346 1 0 FKAFRO c1ccc(-c2ccc(Oc3ccc(OC[C@H]4CCCC[NH2+]4)cc3)cc2)cc1 ZINC000049088400 208413179 /nfs/dbraw/zinc/41/31/79/208413179.db2.gz OFUKQKWKCUIKLJ-OAQYLSRUSA-N 1 0 359.469 5.667 1 0 FKAFRO c1ccc(-c2ccc(Oc3ccc(OC[C@@H]4CCCC[NH2+]4)cc3)cc2)cc1 ZINC000049088401 221019682 /nfs/dbraw/zinc/01/96/82/221019682.db2.gz OFUKQKWKCUIKLJ-NRFANRHFSA-N 1 0 359.469 5.667 1 0 FKAFRO C[NH2+]C[C@H]1CC[C@H]2[C@H](c3ccccc3)Nc3ccc(C(C)(C)C)cc3[C@H]2O1 ZINC000049110715 221018701 /nfs/dbraw/zinc/01/87/01/221018701.db2.gz WXIHHOOSOJQUAD-FUKQBSRTSA-N 1 0 364.533 5.207 1 0 FKAFRO FC(F)(F)c1ccc(Oc2ccc(OC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC000049113632 221019218 /nfs/dbraw/zinc/01/92/18/221019218.db2.gz MFZMQTXBPSJJSE-OAHLLOKOSA-N 1 0 351.368 5.019 1 0 FKAFRO CC(C)[N@H+]1CC=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 ZINC000049124825 221018942 /nfs/dbraw/zinc/01/89/42/221018942.db2.gz FFAVDJZKSDDAOW-UHFFFAOYSA-N 1 0 361.464 5.380 1 0 FKAFRO c1csc(-c2ccc(Cc3ccc(OC[C@@H]4CCCC[NH2+]4)cc3)cc2)c1 ZINC000049125789 581092064 /nfs/dbraw/zinc/09/20/64/581092064.db2.gz XIOLMZDMRZUZEA-NRFANRHFSA-N 1 0 363.526 5.527 1 0 FKAFRO COc1ccc([C@@H]2Cc3ccccc3[NH+]=C(c3ccccc3)N2C)cc1OC ZINC000049649976 221026402 /nfs/dbraw/zinc/02/64/02/221026402.db2.gz NJGQPGOPNFFSCP-NRFANRHFSA-N 1 0 372.468 5.011 1 0 FKAFRO COc1ccc([C@H]2Cc3ccccc3[NH+]=C(c3ccccc3)N2C)cc1OC ZINC000049649977 221026153 /nfs/dbraw/zinc/02/61/53/221026153.db2.gz NJGQPGOPNFFSCP-OAQYLSRUSA-N 1 0 372.468 5.011 1 0 FKAFRO c1cc(-c2ccc(Oc3ccc(OC[C@@H]4CCCC[NH2+]4)cc3)cc2)cs1 ZINC000049784749 581092083 /nfs/dbraw/zinc/09/20/83/581092083.db2.gz GLLLFAXFNZDBAF-IBGZPJMESA-N 1 0 365.498 5.728 1 0 FKAFRO C[N@H+](CCCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1 ZINC000053021947 536334276 /nfs/dbraw/zinc/33/42/76/536334276.db2.gz QUBIIFLNSZKWIJ-UHFFFAOYSA-N 1 0 374.553 6.202 1 0 FKAFRO Cc1cc2c(cc1C)C[C@](CC[NH+](C)C)(c1ccc3ccccc3c1)OC2 ZINC000053246815 211915773 /nfs/dbraw/zinc/91/57/73/211915773.db2.gz YMOHKUBSMBRLSY-RUZDIDTESA-N 1 0 359.513 5.377 1 0 FKAFRO Cc1cc2c(cc1C)C(=O)O[C@@](CC[NH+](C)C)(c1ccc3ccccc3c1)C2 ZINC000053247018 205192142 /nfs/dbraw/zinc/19/21/42/205192142.db2.gz UCCGZCRQUKXQFI-RUZDIDTESA-N 1 0 373.496 5.017 1 0 FKAFRO O=C1c2cc(Cl)ccc2Oc2ccccc2C12CC[NH+](CC1CC1)CC2 ZINC000060051800 212018911 /nfs/dbraw/zinc/01/89/11/212018911.db2.gz MKMOXJNSSHPPJV-UHFFFAOYSA-N 1 0 367.876 5.072 1 0 FKAFRO CCC[NH+]1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc1C2=O ZINC000060051811 212018845 /nfs/dbraw/zinc/01/88/45/212018845.db2.gz CGOUIJKVXDJLTI-UHFFFAOYSA-N 1 0 355.865 5.072 1 0 FKAFRO CCCCN(C(C)=O)c1ccc2c(c1)[C@@H]1C[C@H]2CC[N@H+]1Cc1ccccc1 ZINC000061924189 212027954 /nfs/dbraw/zinc/02/79/54/212027954.db2.gz VUVVUBCWFOOBRD-YKSBVNFPSA-N 1 0 362.517 5.274 1 0 FKAFRO Clc1cccc(C[N@@H+]2CC[C@H]3C[C@@H]2c2cc(N4CCCCC4)ccc23)c1 ZINC000061942430 136132568 /nfs/dbraw/zinc/13/25/68/136132568.db2.gz KZJJRDZSSLUTQV-FDDCHVKYSA-N 1 0 366.936 5.765 1 0 FKAFRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@@H]2c2cc(-c4cccc(C)c4)ccc23)cc1 ZINC000061943040 212027799 /nfs/dbraw/zinc/02/77/99/212027799.db2.gz JAFOOEBCAFRBFR-BKMJKUGQSA-N 1 0 369.508 6.105 1 0 FKAFRO FC(F)(F)Oc1ccc(-c2ccc3[nH]cc(C4=CC[NH2+]CC4)c3c2)cc1 ZINC000063539553 205293881 /nfs/dbraw/zinc/29/38/81/205293881.db2.gz GVPOWKVWVGYUKF-UHFFFAOYSA-N 1 0 358.363 5.110 1 0 FKAFRO Fc1ccc(-c2[nH]cc(C3=CC[N@@H+]4CCC[C@H]4C3)c2-c2ccncc2)cc1 ZINC000064311294 221145988 /nfs/dbraw/zinc/14/59/88/221145988.db2.gz OSLWXIZAFXKEFT-FQEVSTJZSA-N 1 0 359.448 5.134 1 0 FKAFRO CCC(C)(C)C1CCC([NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)CC1 ZINC000064437212 205299525 /nfs/dbraw/zinc/29/95/25/205299525.db2.gz OPRXBLIAOOZDAC-OBFZPWGMSA-N 1 0 368.565 5.429 1 0 FKAFRO Clc1ccc2c(c1)nccc2NCC[NH2+]Cc1ccc2ccccc2c1 ZINC000064453942 205299066 /nfs/dbraw/zinc/29/90/66/205299066.db2.gz MWLKKSMXZYIZEO-UHFFFAOYSA-N 1 0 361.876 5.243 1 0 FKAFRO CC(C)=CCn1cc(C[NH+]2CCCCC2)c2cc(-c3cccc(C)c3)ccc21 ZINC000064540586 212038767 /nfs/dbraw/zinc/03/87/67/212038767.db2.gz NFFTYRXJQSIFNG-UHFFFAOYSA-N 1 0 372.556 6.569 1 0 FKAFRO CC[NH+](CC)Cc1cn(CC=C(C)C)c2ccc(-c3cccc(C)c3)cc12 ZINC000064549367 205300405 /nfs/dbraw/zinc/30/04/05/205300405.db2.gz KQAJIRCVJGRVCT-UHFFFAOYSA-N 1 0 360.545 6.425 1 0 FKAFRO Clc1ccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000066080220 205362697 /nfs/dbraw/zinc/36/26/97/205362697.db2.gz FQHCMJGVOMGZJD-PMACEKPBSA-N 1 0 363.332 5.184 1 0 FKAFRO Clc1ccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000066100619 221241669 /nfs/dbraw/zinc/24/16/69/221241669.db2.gz FQHCMJGVOMGZJD-BGYRXZFFSA-N 1 0 363.332 5.184 1 0 FKAFRO Clc1ccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000066100620 221241898 /nfs/dbraw/zinc/24/18/98/221241898.db2.gz FQHCMJGVOMGZJD-WOJBJXKFSA-N 1 0 363.332 5.184 1 0 FKAFRO Clc1ccc(-c2cn(Cc3ccccc3)c3c2C[NH2+]CC3)c(Cl)c1 ZINC000066112003 221241699 /nfs/dbraw/zinc/24/16/99/221241699.db2.gz RZQLETLOSJMVRS-UHFFFAOYSA-N 1 0 357.284 5.156 1 0 FKAFRO CC(=O)[C@@H]1CC[C@H]2CC[C@@H]1[N@@H+]2CCC=C(c1ccccc1)c1ccccc1 ZINC000066165914 221243081 /nfs/dbraw/zinc/24/30/81/221243081.db2.gz WRSAFOGQFQCOPC-LSQMVHIFSA-N 1 0 359.513 5.340 1 0 FKAFRO CC[N@@H+]1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1 ZINC000066252661 221243296 /nfs/dbraw/zinc/24/32/96/221243296.db2.gz HSUSOKSRYOCAIB-UHFFFAOYSA-N 1 0 350.893 5.235 1 0 FKAFRO CC(C)[N@@H+]1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1 ZINC000066259986 221243544 /nfs/dbraw/zinc/24/35/44/221243544.db2.gz MLWONAXYSDGFLC-UHFFFAOYSA-N 1 0 364.920 5.623 1 0 FKAFRO COc1ccc2c(c1)c1c(ccc[n+]1C)n2CCCCCC1CCCCC1 ZINC000071294377 221340792 /nfs/dbraw/zinc/34/07/92/221340792.db2.gz ANYUNQDCHHRPPF-UHFFFAOYSA-N 1 0 365.541 5.768 1 0 FKAFRO C[n+]1cccc2c1c1ccc(Cl)cc1n2CCCCCC1CCCCC1 ZINC000071294511 221340111 /nfs/dbraw/zinc/34/01/11/221340111.db2.gz ZDGJGJVAIQGSHI-UHFFFAOYSA-N 1 0 369.960 6.413 1 0 FKAFRO C[n+]1cccc2c1c1cc(F)ccc1n2CCCCCC1CCCCC1 ZINC000071295226 221340278 /nfs/dbraw/zinc/34/02/78/221340278.db2.gz KNOOYBVUNXFIHT-UHFFFAOYSA-N 1 0 353.505 5.899 1 0 FKAFRO C[n+]1cccc2c1c1cccc(Cl)c1n2CCCCCC1CCCCC1 ZINC000071295567 221341868 /nfs/dbraw/zinc/34/18/68/221341868.db2.gz YVIYKXTZUITMBG-UHFFFAOYSA-N 1 0 369.960 6.413 1 0 FKAFRO c1ccc(C(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc2)cc1 ZINC000071295846 221341530 /nfs/dbraw/zinc/34/15/30/221341530.db2.gz QRKFWYLBWNOMIM-FCHUYYIVSA-N 1 0 351.559 5.774 1 0 FKAFRO c1csc(C[NH2+][C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1 ZINC000071319080 221342890 /nfs/dbraw/zinc/34/28/90/221342890.db2.gz VWWCNBBOUNLRTM-UNMCSNQZSA-N 1 0 363.526 5.217 1 0 FKAFRO c1[nH]c2ccccc2c1CC[NH+](CC1CCCCC1)CC1CCCCC1 ZINC000071331745 221343754 /nfs/dbraw/zinc/34/37/54/221343754.db2.gz YZOCXRCCRVUPNM-UHFFFAOYSA-N 1 0 352.566 6.173 1 0 FKAFRO CCCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccccc2Br)n1 ZINC000072103900 208798469 /nfs/dbraw/zinc/79/84/69/208798469.db2.gz XVUWPLGEVFXFKU-CQSZACIVSA-N 1 0 365.315 5.553 1 0 FKAFRO CCCCCC[C@H](C)[NH2+]Cc1coc(-c2ccccc2Br)n1 ZINC000072103901 536296871 /nfs/dbraw/zinc/29/68/71/536296871.db2.gz XVUWPLGEVFXFKU-AWEZNQCLSA-N 1 0 365.315 5.553 1 0 FKAFRO COc1cccc(NCCC2(c3ccccc3)CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000072109745 221407030 /nfs/dbraw/zinc/40/70/30/221407030.db2.gz LEAZATVHWSJCHL-UHFFFAOYSA-N 1 0 366.549 5.376 1 0 FKAFRO C[NH+](C)C[C@@H]1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1 ZINC000072114394 221406633 /nfs/dbraw/zinc/40/66/33/221406633.db2.gz OYEJDXFRODAUIU-OAQYLSRUSA-N 1 0 370.540 5.632 1 0 FKAFRO C[NH+](C)C[C@H]1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1 ZINC000072114395 205469815 /nfs/dbraw/zinc/46/98/15/205469815.db2.gz OYEJDXFRODAUIU-NRFANRHFSA-N 1 0 370.540 5.632 1 0 FKAFRO Cc1ccc(CN2C(C)=[NH+]c3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 ZINC000072124272 221411283 /nfs/dbraw/zinc/41/12/83/221411283.db2.gz CDEORBLGVMIYOR-HSZRJFAPSA-N 1 0 360.888 6.304 1 0 FKAFRO CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccccc2)N1CCc1ccccc1 ZINC000072141204 221418720 /nfs/dbraw/zinc/41/87/20/221418720.db2.gz GUCMRSUQSKLWCK-QHCPKHFHSA-N 1 0 360.888 6.038 1 0 FKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072183760 208824892 /nfs/dbraw/zinc/82/48/92/208824892.db2.gz JNUVAFMGBASYJZ-GOSISDBHSA-N 1 0 364.489 6.192 1 0 FKAFRO Cc1ccc(Sc2ccccc2)c(Nc2cc[nH+]c3cc(C)ccc23)c1 ZINC000073315545 221563938 /nfs/dbraw/zinc/56/39/38/221563938.db2.gz DMIKADCENWOHJS-UHFFFAOYSA-N 1 0 356.494 6.746 1 0 FKAFRO CCCc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1 ZINC000082153986 221706461 /nfs/dbraw/zinc/70/64/61/221706461.db2.gz MPKAPXJXRWOYLD-UHFFFAOYSA-N 1 0 361.554 5.623 1 0 FKAFRO CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCCCC[C@H](C)O)[NH2+][C@@H]1C ZINC000084153989 291086566 /nfs/dbraw/zinc/08/65/66/291086566.db2.gz RNRUHRONLFGPJY-YUVXSKOASA-N 1 0 369.590 5.121 1 0 biogenic,in-vitro FKAFRO CC(C)=CCC/C(C)=C\CN(C)C(=[NH2+])N(C)C/C=C(/C)CCC=C(C)C ZINC000084154163 291087042 /nfs/dbraw/zinc/08/70/42/291087042.db2.gz NQJSPBXUQXWVRB-BMJUYKDLSA-N 1 0 359.602 6.170 1 0 biogenic,in-vitro FKAFRO CCCc1cccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)c1 ZINC000084619925 221724864 /nfs/dbraw/zinc/72/48/64/221724864.db2.gz YCFSKQRZJMJUPV-UHFFFAOYSA-N 1 0 361.554 5.623 1 0 FKAFRO [NH3+]CCS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1 ZINC000084652457 221725017 /nfs/dbraw/zinc/72/50/17/221725017.db2.gz RVNWBDVAULKSHY-JOCHJYFZSA-N 1 0 351.490 5.004 1 0 FKAFRO [NH3+]CCS[C@@](Cc1ccccc1)(c1ccccc1)c1ccccc1F ZINC000084653104 205658802 /nfs/dbraw/zinc/65/88/02/205658802.db2.gz WITLBIJKJWFEOJ-QFIPXVFZSA-N 1 0 351.490 5.004 1 0 FKAFRO CC[C@H](C)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 ZINC000084688618 208961078 /nfs/dbraw/zinc/96/10/78/208961078.db2.gz GZBMFPCVMJIDLD-NRFANRHFSA-N 1 0 365.520 6.520 1 0 FKAFRO C[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000084690319 205660449 /nfs/dbraw/zinc/66/04/49/205660449.db2.gz CKMSNVMYZASRFE-JOCHJYFZSA-N 1 0 363.504 6.329 1 0 FKAFRO [NH3+]C1(c2ccc(-c3ncc4cnccc4c3-c3ccccc3)cc2)CCC1 ZINC000084707828 208961618 /nfs/dbraw/zinc/96/16/18/208961618.db2.gz RGRNCTMXYHOPHP-UHFFFAOYSA-N 1 0 351.453 5.302 1 0 FKAFRO [NH3+]C1(c2ccc(-c3ncc4ccccc4c3-c3ccccc3)cc2)CCC1 ZINC000084709021 205659304 /nfs/dbraw/zinc/65/93/04/205659304.db2.gz UIKDMTZAMLGVGD-UHFFFAOYSA-N 1 0 350.465 5.907 1 0 FKAFRO CC(C)C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 ZINC000084732999 208962627 /nfs/dbraw/zinc/96/26/27/208962627.db2.gz BPLGHMSDVOTOHI-UHFFFAOYSA-N 1 0 365.520 6.377 1 0 FKAFRO O=C(CCCC[NH+]1CCCCC1)Nc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000084740157 208962726 /nfs/dbraw/zinc/96/27/26/208962726.db2.gz HSJHANWKJLOWGS-UHFFFAOYSA-N 1 0 370.924 5.602 1 0 FKAFRO Clc1ccc(C(OC[C@H]2CCCC[NH2+]2)c2ccc(Cl)cc2)cc1 ZINC000084741582 208962903 /nfs/dbraw/zinc/96/29/03/208962903.db2.gz KFHNLNACTABJSO-GOSISDBHSA-N 1 0 350.289 5.242 1 0 FKAFRO CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@H]3[N@@H+]3CC36CCCC6)[C@]4(C)[C@@]25CC1 ZINC000085548254 291087200 /nfs/dbraw/zinc/08/72/00/291087200.db2.gz YEIBEVVNVXLGGP-OMSBISQBSA-N 1 0 363.589 6.256 1 0 biogenic,in-vitro FKAFRO CC1=C2C[C@]3(C[N@@H+]4C[C@]45CCCC54CCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548262 291087173 /nfs/dbraw/zinc/08/71/73/291087173.db2.gz WXPVGYXKHDXKPM-IBOMKHEGSA-N 1 0 367.621 6.728 1 0 biogenic,in-vitro FKAFRO CC1=C2C[C@]3(C[N@@H+]4C[C@@]45CC[C@H](CCCO)C5)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548269 291087165 /nfs/dbraw/zinc/08/71/65/291087165.db2.gz WGPUEWMIWBAADN-SBMSYECRSA-N 1 0 371.609 5.556 1 0 biogenic,in-vitro FKAFRO C[NH2+]C[C@H]1CN1C[C@@]12CC3=C(C)CC[C@]3([C@H](C)CC13CCCC3)C2(C)C ZINC000085548292 291088879 /nfs/dbraw/zinc/08/88/79/291088879.db2.gz WRAPTTSOOBLOEP-JOLNIJMXSA-N 1 0 356.598 5.003 1 0 biogenic,in-vitro FKAFRO CC1=C2C[C@]3(CN4C[C@H]4C[NH2+]C4CCCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548308 291087197 /nfs/dbraw/zinc/08/71/97/291087197.db2.gz WIMITFNNPJBCPT-MNOMTMIWSA-N 1 0 370.625 5.536 1 0 biogenic,in-vitro FKAFRO CCCCCC1=CC[C@@]2(C)[C@@]3(CC4=C(C)CC[C@@]42[C@H](C)CC3)[C@@H]1[NH+]1CC1 ZINC000085548328 291087998 /nfs/dbraw/zinc/08/79/98/291087998.db2.gz VZAPAZLMTOYKEU-UTHIKGHZSA-N 1 0 353.594 6.504 1 0 biogenic,in-vitro FKAFRO CC(C)Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21 ZINC000095552669 209079198 /nfs/dbraw/zinc/07/91/98/209079198.db2.gz KJZKHXKANOCIIW-UHFFFAOYSA-N 1 0 364.880 5.802 1 0 FKAFRO Clc1ccc(O[C@@H](c2ccc3ccccc3c2)C2C[NH2+]C2)cc1Cl ZINC000095554480 209079070 /nfs/dbraw/zinc/07/90/70/209079070.db2.gz FMNHTBXXYZCSCU-FQEVSTJZSA-N 1 0 358.268 5.486 1 0 FKAFRO Clc1ccc(O[C@H](c2ccc3ccccc3c2)C2C[NH2+]C2)cc1Cl ZINC000095554481 209079376 /nfs/dbraw/zinc/07/93/76/209079376.db2.gz FMNHTBXXYZCSCU-HXUWFJFHSA-N 1 0 358.268 5.486 1 0 FKAFRO Clc1ccc(-c2nc3sc4ccccc4n3c2C[NH+]2CCCC2)cc1 ZINC000095556165 209078550 /nfs/dbraw/zinc/07/85/50/209078550.db2.gz BMCMZLQOKMKHOM-UHFFFAOYSA-N 1 0 367.905 5.465 1 0 FKAFRO CC(C)(C)c1cc(C(C)(C)C[NH2+]Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000095558193 205788054 /nfs/dbraw/zinc/78/80/54/205788054.db2.gz MXHNPIHSSMHELW-UHFFFAOYSA-N 1 0 367.577 6.055 1 0 FKAFRO C[N@H+](Cc1ccc(I)cc1)CC1=CCCCCCC1 ZINC000095563444 205789055 /nfs/dbraw/zinc/78/90/55/205789055.db2.gz MEBVDVKSUCNCRJ-UHFFFAOYSA-N 1 0 369.290 5.004 1 0 FKAFRO COc1ccc([C@](C[C@H](F)C[NH3+])(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000095581218 209081348 /nfs/dbraw/zinc/08/13/48/209081348.db2.gz CHQFZSXWIXTJPN-LADGPHEKSA-N 1 0 363.476 5.025 1 0 FKAFRO [NH3+]CCS[C@](c1ccccc1)(c1cccc(O)c1)c1cccc(Cl)c1 ZINC000095582134 209082473 /nfs/dbraw/zinc/08/24/73/209082473.db2.gz QVCXZUIOMIZJCE-NRFANRHFSA-N 1 0 369.917 5.029 1 0 FKAFRO [NH3+]CCS[C@@](c1ccccc1)(c1cccc(O)c1)c1cccc(Cl)c1 ZINC000095582135 221964723 /nfs/dbraw/zinc/96/47/23/221964723.db2.gz QVCXZUIOMIZJCE-OAQYLSRUSA-N 1 0 369.917 5.029 1 0 FKAFRO CCc1cc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)ccc1C ZINC000095582572 209082050 /nfs/dbraw/zinc/08/20/50/209082050.db2.gz BWKUTWAESKKHIC-UHFFFAOYSA-N 1 0 361.554 5.541 1 0 FKAFRO [NH3+]CCCC(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000095582716 209082408 /nfs/dbraw/zinc/08/24/08/209082408.db2.gz QMVMMWDSVRYLQS-UHFFFAOYSA-N 1 0 370.323 6.067 1 0 FKAFRO CCOc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1 ZINC000095584814 221963897 /nfs/dbraw/zinc/96/38/97/221963897.db2.gz QLYADQBZTPCMEJ-UHFFFAOYSA-N 1 0 363.526 5.069 1 0 FKAFRO Clc1cc(Cl)c(Cl)c(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1 ZINC000095586104 209081743 /nfs/dbraw/zinc/08/17/43/209081743.db2.gz OIMUKKZXUMOQAB-SJCJKPOMSA-N 1 0 356.680 5.376 1 0 FKAFRO CCCCn1cc[n+]([C@@H](c2cc3ccccc3o2)c2ccccc2)c1CC ZINC000095589922 209083747 /nfs/dbraw/zinc/08/37/47/209083747.db2.gz JBGRGAYVRBYTCT-XMMPIXPASA-N 1 0 359.493 5.522 1 0 FKAFRO CCn1c2cc(OCC(C)C)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 ZINC000095597305 209084182 /nfs/dbraw/zinc/08/41/82/209084182.db2.gz OXVAKNGJAUMWID-UHFFFAOYSA-N 1 0 373.520 5.493 1 0 FKAFRO CC(C)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000095603631 209085182 /nfs/dbraw/zinc/08/51/82/209085182.db2.gz GYVSDGRZPBXQQE-NJYVYQBISA-N 1 0 362.344 6.411 1 0 FKAFRO CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000095909416 291089227 /nfs/dbraw/zinc/08/92/27/291089227.db2.gz ZTNBSFMIFOLVCM-QAKNPMBRSA-N 1 0 359.598 5.531 1 0 biogenic,in-vitro FKAFRO CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@@]21C ZINC000096269538 222107144 /nfs/dbraw/zinc/10/71/44/222107144.db2.gz ITZGIHXZLZSWCK-QIGHUWCUSA-N 1 0 368.629 7.114 1 0 FKAFRO C[C@@H]1CC(=O)N(C2CC[NH+](C3CCCCCCC3)CC2)c2ccccc21 ZINC000096270677 132224782 /nfs/dbraw/zinc/22/47/82/132224782.db2.gz OOLFHBYKMZMHBX-GOSISDBHSA-N 1 0 354.538 5.104 1 0 FKAFRO C[C@H]1CC(=O)N(C2CC[NH+](C3CCCCCCC3)CC2)c2ccccc21 ZINC000096270678 132224708 /nfs/dbraw/zinc/22/47/08/132224708.db2.gz OOLFHBYKMZMHBX-SFHVURJKSA-N 1 0 354.538 5.104 1 0 FKAFRO CCCOc1ccc(-c2cc(O[C@H](C)C[NH+](C)C)c3ccccc3n2)cc1 ZINC000096271009 222106890 /nfs/dbraw/zinc/10/68/90/222106890.db2.gz QFXVHAARSCTVDY-QGZVFWFLSA-N 1 0 364.489 5.020 1 0 FKAFRO CCCOc1ccc(-c2cc(OC[C@@H](C)[NH+](C)C)c3ccccc3n2)cc1 ZINC000096271021 222107279 /nfs/dbraw/zinc/10/72/79/222107279.db2.gz QMOFOWRNZKXJBH-QGZVFWFLSA-N 1 0 364.489 5.020 1 0 FKAFRO Clc1cccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1Cl ZINC000096283198 132224701 /nfs/dbraw/zinc/22/47/01/132224701.db2.gz OJVGHPDSXXGXQT-UHFFFAOYSA-N 1 0 371.311 5.469 1 0 FKAFRO c1ccc(C(c2ccccc2)n2c(C[NH+]3CCCC3)nc3ccccc32)cc1 ZINC000096285122 222111533 /nfs/dbraw/zinc/11/15/33/222111533.db2.gz KVVFXIDTRQNBOT-UHFFFAOYSA-N 1 0 367.496 5.270 1 0 FKAFRO FCCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000096907876 222137646 /nfs/dbraw/zinc/13/76/46/222137646.db2.gz OHESZUPGMIFNLT-UHFFFAOYSA-N 1 0 370.899 5.091 1 0 FKAFRO Cc1cccc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c1C ZINC000096910020 132226304 /nfs/dbraw/zinc/22/63/04/132226304.db2.gz USLDCNLFZCAKMC-UHFFFAOYSA-N 1 0 356.513 5.293 1 0 FKAFRO Cc1ccc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c(C)c1 ZINC000096910021 132226138 /nfs/dbraw/zinc/22/61/38/132226138.db2.gz OWIDBBBKDHVHLM-UHFFFAOYSA-N 1 0 356.513 5.293 1 0 FKAFRO Cc1ccc(C)c(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c1 ZINC000096910022 132226361 /nfs/dbraw/zinc/22/63/61/132226361.db2.gz HKBCOKQTMGCZFX-UHFFFAOYSA-N 1 0 356.513 5.293 1 0 FKAFRO Cc1cc(C)cc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c1 ZINC000096910023 132226124 /nfs/dbraw/zinc/22/61/24/132226124.db2.gz RTRAQWFTPPYWRI-UHFFFAOYSA-N 1 0 356.513 5.293 1 0 FKAFRO Clc1ccccc1N1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000096910036 132226174 /nfs/dbraw/zinc/22/61/74/132226174.db2.gz BXJORGABSLLRAD-UHFFFAOYSA-N 1 0 362.904 5.329 1 0 FKAFRO Clc1ccc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)cc1 ZINC000096910037 132226333 /nfs/dbraw/zinc/22/63/33/132226333.db2.gz PXKOBOQZUOWWFF-UHFFFAOYSA-N 1 0 362.904 5.329 1 0 FKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[NH2+]CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000096914256 222138625 /nfs/dbraw/zinc/13/86/25/222138625.db2.gz UCHPGGJBWXZJQO-XHGRUUOTSA-N 1 0 373.669 7.060 1 0 FKAFRO CCCCn1c[n+]([C@@H](C)c2ccc3oc4ccccc4c3c2)c2ccccc21 ZINC000096915720 222138705 /nfs/dbraw/zinc/13/87/05/222138705.db2.gz LQOWBKWJRDKEIR-SFHVURJKSA-N 1 0 369.488 6.238 1 0 FKAFRO CCCCn1c[n+]([C@H](C)c2ccc3oc4ccccc4c3c2)c2ccccc21 ZINC000096915721 222138889 /nfs/dbraw/zinc/13/88/89/222138889.db2.gz LQOWBKWJRDKEIR-GOSISDBHSA-N 1 0 369.488 6.238 1 0 FKAFRO CCOc1cc(C(C)(C)C)ccc1C1=[NH+]C[C@@H](c2ccc(Cl)cc2)N1 ZINC000096916549 205885922 /nfs/dbraw/zinc/88/59/22/205885922.db2.gz LSIYAOPPHCNKAP-SFHVURJKSA-N 1 0 356.897 5.127 1 0 FKAFRO Fc1ccc(Cn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)cc1 ZINC000096922764 209161567 /nfs/dbraw/zinc/16/15/67/209161567.db2.gz KUEWEEUDGGMAPS-UHFFFAOYSA-N 1 0 367.447 5.318 1 0 FKAFRO CCCCCC[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1 ZINC000096922771 222139832 /nfs/dbraw/zinc/13/98/32/222139832.db2.gz IYWCFCHZOBDJPD-UHFFFAOYSA-N 1 0 371.548 6.295 1 0 FKAFRO CC(C)(C)c1ccc(C[NH2+]CCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000096928865 222141186 /nfs/dbraw/zinc/14/11/86/222141186.db2.gz OPWXHHGDAWNRDQ-UHFFFAOYSA-N 1 0 367.924 5.387 1 0 FKAFRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000096930044 222142411 /nfs/dbraw/zinc/14/24/11/222142411.db2.gz NPCGCCKRSLASPG-OAHLLOKOSA-N 1 0 359.391 5.931 1 0 FKAFRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000096930046 209163134 /nfs/dbraw/zinc/16/31/34/209163134.db2.gz NGKGDAJLTDWAHS-HXUWFJFHSA-N 1 0 351.493 6.700 1 0 FKAFRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccccc1Br ZINC000096930048 209163117 /nfs/dbraw/zinc/16/31/17/209163117.db2.gz JBDUFWKYBYZVGJ-OAHLLOKOSA-N 1 0 354.291 5.795 1 0 FKAFRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1cccc(Br)c1 ZINC000096930051 209162475 /nfs/dbraw/zinc/16/24/75/209162475.db2.gz CEFBDZIOKWAKRJ-OAHLLOKOSA-N 1 0 354.291 5.795 1 0 FKAFRO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000096930055 222142775 /nfs/dbraw/zinc/14/27/75/222142775.db2.gz WXCGLKJLEYYBFB-HXUWFJFHSA-N 1 0 359.557 6.947 1 0 FKAFRO CCCCCn1c2ccccc2c(=O)cc1-c1cc[n+](CCCCC)cc1 ZINC000096932252 222142442 /nfs/dbraw/zinc/14/24/42/222142442.db2.gz AMJFDNNUJQOECL-UHFFFAOYSA-N 1 0 363.525 5.336 1 0 FKAFRO Fc1ccc([C@]2(CC[NH2+]Cc3ccccc3)CCOC3(CCCC3)C2)cc1 ZINC000096940335 222145205 /nfs/dbraw/zinc/14/52/05/222145205.db2.gz NBXSEADGQTYSNU-HSZRJFAPSA-N 1 0 367.508 5.367 1 0 FKAFRO Fc1ccc([C@@]2(CC[NH2+]Cc3ccccc3)CCOC3(CCCC3)C2)cc1 ZINC000096940336 209163883 /nfs/dbraw/zinc/16/38/83/209163883.db2.gz NBXSEADGQTYSNU-QHCPKHFHSA-N 1 0 367.508 5.367 1 0 FKAFRO CCC1(CC)C[C@](CC[NH2+]Cc2ccccc2)(c2ccc(F)cc2)CCO1 ZINC000096940356 222144663 /nfs/dbraw/zinc/14/46/63/222144663.db2.gz STWFUAGIYHEJBN-HSZRJFAPSA-N 1 0 369.524 5.613 1 0 FKAFRO CC[C@H]1c2ccccc2N(C2CC[NH+](C3CCCCCCC3)CC2)C1=O ZINC000098081813 209204708 /nfs/dbraw/zinc/20/47/08/209204708.db2.gz KGUVKPUXAPIJSW-FQEVSTJZSA-N 1 0 354.538 5.104 1 0 FKAFRO c1ccc2c(c1)ncc1c2N(CC[NH+]2CCCCC2)c2ccccc2S1 ZINC000098082841 132232094 /nfs/dbraw/zinc/23/20/94/132232094.db2.gz RYZNSCDPERUSMN-UHFFFAOYSA-N 1 0 361.514 5.323 1 0 FKAFRO COc1cc2[nH+]c(-c3ccccc3)cc(NC3CCCCC3)c2c(OC)c1 ZINC000098083126 222226902 /nfs/dbraw/zinc/22/69/02/222226902.db2.gz YPHABYOXTFGEGV-UHFFFAOYSA-N 1 0 362.473 5.664 1 0 FKAFRO COc1cc2[nH+]c(-c3ccccc3)cc(Nc3ccccc3)c2c(OC)c1 ZINC000098083127 222227108 /nfs/dbraw/zinc/22/71/08/222227108.db2.gz GTKIBDAQYUGPCT-UHFFFAOYSA-N 1 0 356.425 5.663 1 0 FKAFRO C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@@H](CCC)C1C(=O)SCC ZINC000100038015 209207654 /nfs/dbraw/zinc/20/76/54/209207654.db2.gz DQAPCAIOIAMAQE-HGSNWSKYSA-N 1 0 373.518 5.374 1 0 FKAFRO CCCCN(CC)C1=CC(C)=[NH+][C@H]2[C@@H]1C(C)=CN2c1c(C)cc(C)cc1C ZINC000100058218 222234672 /nfs/dbraw/zinc/23/46/72/222234672.db2.gz OXBSTIROOYKZJO-ISKFKSNPSA-N 1 0 365.565 5.758 1 0 FKAFRO CCCC[C@@H](CC)CN1CN2C[N@H+](C[C@@H](CC)CCCC)CC2(C)C1 ZINC000100379673 222243028 /nfs/dbraw/zinc/24/30/28/222243028.db2.gz MSJBLPVXRJMJSY-CBQGHPETSA-N 1 0 351.623 5.026 1 0 in-man FKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 ZINC000100834453 209218720 /nfs/dbraw/zinc/21/87/20/209218720.db2.gz ISSICWWQXUMDRL-IVAOSVALSA-N 1 0 359.872 5.210 1 0 FKAFRO CC(=O)OC1=C(c2cccc3ccccc32)Oc2ccccc2[N+]2=C1CC=C2 ZINC000101025341 222260183 /nfs/dbraw/zinc/26/01/83/222260183.db2.gz FAPSIUKSTMWDJJ-UHFFFAOYSA-N 1 0 368.412 5.167 1 0 FKAFRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)Cc2c(-c4ccc(O)cc4)n[nH]c2-3)CC1 ZINC000101107529 209222146 /nfs/dbraw/zinc/22/21/46/209222146.db2.gz UZYWNMNHDXLFCZ-GLRZTSSQSA-N 1 0 373.500 5.022 1 0 FKAFRO Cc1ccc(-c2n[nH]c3c2Cc2cc(C[NH2+][C@H]4CC[C@H](C)CC4)ccc2-3)cc1 ZINC000101115321 222262436 /nfs/dbraw/zinc/26/24/36/222262436.db2.gz GXUAMVYPUMPBMN-UEDWGHLCSA-N 1 0 371.528 5.625 1 0 FKAFRO C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)Cc2c(-c4ccccc4)n[nH]c2-3)CC1 ZINC000101115327 222262092 /nfs/dbraw/zinc/26/20/92/222262092.db2.gz LQDUMEQZHKIAQN-MOBUCQHHSA-N 1 0 357.501 5.316 1 0 FKAFRO O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc2ccccc12 ZINC000101185316 209221861 /nfs/dbraw/zinc/22/18/61/209221861.db2.gz CNNRPXDUHKLPGW-NGRWLJPCSA-N 1 0 367.876 5.101 1 0 FKAFRO Clc1ccc(CO[C@@]2(c3ccccc3)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000101300587 209223293 /nfs/dbraw/zinc/22/32/93/209223293.db2.gz RVSLPYXAWKWRCQ-YRWFTTLQSA-N 1 0 362.300 5.320 1 0 FKAFRO FC(F)(F)c1ccc([C@]2(OCc3ccccc3)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000101300670 205954959 /nfs/dbraw/zinc/95/49/59/205954959.db2.gz MYNMNBPZOKCPBO-PMOLBWCYSA-N 1 0 361.407 5.032 1 0 FKAFRO CCC(C)(C)C1CCC([NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)CC1 ZINC000101376161 222273455 /nfs/dbraw/zinc/27/34/55/222273455.db2.gz OPRXBLIAOOZDAC-AJTFCVKESA-N 1 0 368.565 5.429 1 0 FKAFRO C[NH+](C)[C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 ZINC000101509258 222278308 /nfs/dbraw/zinc/27/83/08/222278308.db2.gz WNDQUNBYWXFFGU-KOMQPUFPSA-N 1 0 366.534 5.255 1 0 FKAFRO CC[NH2+][C@H]1CC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 ZINC000101509274 209227338 /nfs/dbraw/zinc/22/73/38/209227338.db2.gz WKNJJZDFDCGVSZ-GASCZTMLSA-N 1 0 366.534 5.303 1 0 FKAFRO C[C@@H]1C[C@@H]2[C@H](C1)[C@@]2(c1cccc(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101511250 132233955 /nfs/dbraw/zinc/23/39/55/132233955.db2.gz HQUMRIMZYIEYKN-WKJJFCIUSA-N 1 0 366.936 5.033 1 0 FKAFRO CCC(C)(C)[C@H]1CC[C@@H]([NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 ZINC000101680317 222280782 /nfs/dbraw/zinc/28/07/82/222280782.db2.gz VPRGZBLRSGAWRB-MXVIHJGJSA-N 1 0 368.565 5.035 1 0 FKAFRO CC[C@H]1c2ccccc2N(C2CC[NH+]([C@H]3CC[C@@H](C(C)C)CC3)CC2)C1=O ZINC000101680362 222280389 /nfs/dbraw/zinc/28/03/89/222280389.db2.gz AFKOBULTASCVMS-ZJOUEHCJSA-N 1 0 368.565 5.206 1 0 FKAFRO Cn1c2cc(Cl)ccc2[n+](-c2ccccc2)c1C=CNc1ccccc1 ZINC000101742322 222281980 /nfs/dbraw/zinc/28/19/80/222281980.db2.gz WAIBPQZXBUNNLQ-UHFFFAOYSA-O 1 0 360.868 5.191 1 0 FKAFRO [18F]CCCC[C@@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000102898171 222313340 /nfs/dbraw/zinc/31/33/40/222313340.db2.gz JJMQPXXODDTMDK-RFFBRQACSA-N 1 0 352.484 5.389 1 0 FKAFRO [18F]CCCC[C@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000102898174 222313997 /nfs/dbraw/zinc/31/39/97/222313997.db2.gz JJMQPXXODDTMDK-GRXQWEFTSA-N 1 0 352.484 5.389 1 0 FKAFRO O=c1cc(-c2ccc(Cl)cc2)oc2ccc(C[NH+]3CCCCC3)cc12 ZINC000103217746 209247709 /nfs/dbraw/zinc/24/77/09/209247709.db2.gz JCIJAGWHCYZUBW-UHFFFAOYSA-N 1 0 353.849 5.099 1 0 FKAFRO O=c1cc(-c2ccccc2Cl)oc2cc(C[NH+]3CCCCC3)ccc12 ZINC000103221438 222325862 /nfs/dbraw/zinc/32/58/62/222325862.db2.gz ROIOCRIIVHXSFZ-UHFFFAOYSA-N 1 0 353.849 5.099 1 0 FKAFRO c1ccc(C(C[NH2+]C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000103229509 222327015 /nfs/dbraw/zinc/32/70/15/222327015.db2.gz PBORQYFUYBFWPY-UHFFFAOYSA-N 1 0 363.504 6.198 1 0 FKAFRO Cc1cc(N)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2[nH+]1 ZINC000103237074 209249808 /nfs/dbraw/zinc/24/98/08/209249808.db2.gz GTACRKCNWXMANA-UHFFFAOYSA-N 1 0 369.424 5.170 1 0 FKAFRO Cc1cc(N)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2[nH+]1 ZINC000103237094 222327325 /nfs/dbraw/zinc/32/73/25/222327325.db2.gz DVRYCISNGRIQDW-UHFFFAOYSA-N 1 0 353.425 5.045 1 0 FKAFRO Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1nccn1C ZINC000103244907 209249705 /nfs/dbraw/zinc/24/97/05/209249705.db2.gz YAWYKJFTXCRSSS-IBGZPJMESA-N 1 0 350.853 5.065 1 0 FKAFRO Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1nccn1C ZINC000103244910 222328383 /nfs/dbraw/zinc/32/83/83/222328383.db2.gz YAWYKJFTXCRSSS-LJQANCHMSA-N 1 0 350.853 5.065 1 0 FKAFRO c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1C1CCCCC1 ZINC000103245991 222328357 /nfs/dbraw/zinc/32/83/57/222328357.db2.gz SXXFSFLRWWNRRB-UHFFFAOYSA-N 1 0 357.457 5.669 1 0 FKAFRO [NH2+]=C1N[C@@H](c2ccccc2)C[C@H]2CC[C@H](c3ccc(-c4ccccc4)cc3)N12 ZINC000103262107 222329083 /nfs/dbraw/zinc/32/90/83/222329083.db2.gz QZMYJUVTGUVPEQ-WXFUMESZSA-N 1 0 367.496 5.528 1 0 FKAFRO c1c(C[N@H+]2CC=C(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1 ZINC000103265618 222330957 /nfs/dbraw/zinc/33/09/57/222330957.db2.gz DAQKAFDCAWFAKG-UHFFFAOYSA-N 1 0 364.492 5.920 1 0 FKAFRO CC(C)(C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000103265726 222330617 /nfs/dbraw/zinc/33/06/17/222330617.db2.gz ZWPJICWYFDUWEG-NRFANRHFSA-N 1 0 350.893 5.880 1 0 FKAFRO CC(C)(C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000103265727 222330307 /nfs/dbraw/zinc/33/03/07/222330307.db2.gz ZWPJICWYFDUWEG-OAQYLSRUSA-N 1 0 350.893 5.880 1 0 FKAFRO CC(C)C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265740 222331017 /nfs/dbraw/zinc/33/10/17/222331017.db2.gz WJQLOJRKFXLWBU-QFIPXVFZSA-N 1 0 350.893 5.737 1 0 FKAFRO CC(C)C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265742 209250950 /nfs/dbraw/zinc/25/09/50/209250950.db2.gz WJQLOJRKFXLWBU-JOCHJYFZSA-N 1 0 350.893 5.737 1 0 FKAFRO CC(C)(C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265744 222330808 /nfs/dbraw/zinc/33/08/08/222330808.db2.gz DYNMXXYTOFUDLF-NRFANRHFSA-N 1 0 350.893 5.880 1 0 FKAFRO CC(C)(C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265747 222330790 /nfs/dbraw/zinc/33/07/90/222330790.db2.gz DYNMXXYTOFUDLF-OAQYLSRUSA-N 1 0 350.893 5.880 1 0 FKAFRO Clc1ccc([C@@H]([NH2+]C2CCCCC2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000103265784 209250797 /nfs/dbraw/zinc/25/07/97/209250797.db2.gz ZDIXEQRWXYBXTA-QFIPXVFZSA-N 1 0 365.908 5.742 1 0 FKAFRO Clc1ccc([C@@H]([NH2+]Cc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000103265795 222330344 /nfs/dbraw/zinc/33/03/44/222330344.db2.gz FSVQYXOQASTJRX-QHCPKHFHSA-N 1 0 373.887 5.609 1 0 FKAFRO Clc1ccc([C@H]([NH2+]Cc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000103265796 205990924 /nfs/dbraw/zinc/99/09/24/205990924.db2.gz FSVQYXOQASTJRX-HSZRJFAPSA-N 1 0 373.887 5.609 1 0 FKAFRO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 ZINC000103272450 205991052 /nfs/dbraw/zinc/99/10/52/205991052.db2.gz WGLCKRKVHNBWOJ-FYZMTGAWSA-N 1 0 371.609 5.282 1 0 FKAFRO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 ZINC000103272452 222331041 /nfs/dbraw/zinc/33/10/41/222331041.db2.gz WGLCKRKVHNBWOJ-LYTPWFCKSA-N 1 0 371.609 5.282 1 0 FKAFRO CN(C)c1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 ZINC000103279074 209250917 /nfs/dbraw/zinc/25/09/17/209250917.db2.gz WHDYQHGSCKOMDI-UHFFFAOYSA-N 1 0 364.301 5.927 1 0 FKAFRO Cc1ccc(C2=NO[C@H](c3c[nH]c4ccccc43)[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000103289245 209252608 /nfs/dbraw/zinc/25/26/08/209252608.db2.gz MHYREROENGKCHO-ZJSXRUAMSA-N 1 0 373.500 5.054 1 0 FKAFRO Cc1ccc(C2=NO[C@@H](c3c[nH]c4ccccc43)[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000103289248 209252289 /nfs/dbraw/zinc/25/22/89/209252289.db2.gz MHYREROENGKCHO-QPPBQGQZSA-N 1 0 373.500 5.054 1 0 FKAFRO Cc1ccc(C2=NO[C@H](c3c[nH]c4ccccc43)[C@H]2C[NH+]2CCCCC2)cc1 ZINC000103289251 222332352 /nfs/dbraw/zinc/33/23/52/222332352.db2.gz MHYREROENGKCHO-XUZZJYLKSA-N 1 0 373.500 5.054 1 0 FKAFRO Cc1ccc(C2=NO[C@@H](c3c[nH]c4ccccc43)[C@H]2C[NH+]2CCCCC2)cc1 ZINC000103289252 222331875 /nfs/dbraw/zinc/33/18/75/222331875.db2.gz MHYREROENGKCHO-URXFXBBRSA-N 1 0 373.500 5.054 1 0 FKAFRO Fc1cc(F)cc(CC[C@H]2CCC[C@@H](CCc3cc(F)cc(F)c3)[NH2+]2)c1 ZINC000103297292 222333226 /nfs/dbraw/zinc/33/32/26/222333226.db2.gz LHHBKXHRLUHBQZ-OYRHEFFESA-N 1 0 365.414 5.319 1 0 FKAFRO Cc1ccc2c(c1)c1c(n2CCC[NH2+]Cc2ccc(F)cc2)CCCC1 ZINC000103298744 222333368 /nfs/dbraw/zinc/33/33/68/222333368.db2.gz VPRAVFPHEQQLBJ-UHFFFAOYSA-N 1 0 350.481 5.148 1 0 FKAFRO Cc1ccc2c(c1)c1c(n2CCC[NH2+]Cc2ccc(Cl)cc2)CCCC1 ZINC000103298749 222333504 /nfs/dbraw/zinc/33/35/04/222333504.db2.gz PQKIKZCTWPBEHA-UHFFFAOYSA-N 1 0 366.936 5.662 1 0 FKAFRO COc1ccc(C[NH2+]CCCn2c3ccc(C)cc3c3c2CCCC3)cc1 ZINC000103298938 222333645 /nfs/dbraw/zinc/33/36/45/222333645.db2.gz DKMLFVBLPCNFEK-UHFFFAOYSA-N 1 0 362.517 5.017 1 0 FKAFRO CN(C)CC[N@@H+]1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 ZINC000103301415 222333907 /nfs/dbraw/zinc/33/39/07/222333907.db2.gz YWQQAWCNLAEXCI-PLQXJYEYSA-N 1 0 364.577 5.037 1 0 FKAFRO CCCCCC[NH2+][C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917885 206103650 /nfs/dbraw/zinc/10/36/50/206103650.db2.gz JCVJZIOPZNIDLZ-HUVRVWIJSA-N 1 0 373.625 5.849 1 0 FKAFRO CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCCCC[C@@H](C)O)[NH2+][C@@H]1C ZINC000141000130 560045161 /nfs/dbraw/zinc/04/51/61/560045161.db2.gz RNRUHRONLFGPJY-KRXUUXHPSA-N 1 0 369.590 5.121 1 0 biogenic,in-vitro FKAFRO c1ccc(CC[NH+]2CCC(c3ccccc3Cc3ccccc3)CC2)cc1 ZINC000141965139 209380200 /nfs/dbraw/zinc/38/02/00/209380200.db2.gz ANFZTPZTMCRMTF-UHFFFAOYSA-N 1 0 355.525 5.700 1 0 FKAFRO c1c(-c2ccccc2)oc2cccc(CN3CCC([NH+]4CCCCC4)CC3)c12 ZINC000144290846 206139370 /nfs/dbraw/zinc/13/93/70/206139370.db2.gz PBZFVNCEUTUVME-UHFFFAOYSA-N 1 0 374.528 5.550 1 0 FKAFRO C[NH+](C)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000148728945 222548812 /nfs/dbraw/zinc/54/88/12/222548812.db2.gz QPYNETAIAKXHTF-BCSMXPLCSA-N 1 0 373.544 5.235 1 0 FKAFRO Clc1ccc2c(c1)[nH]cc2[C@@H]([NH2+]CC1CC1)c1cccc2ccccc21 ZINC000149925664 209384052 /nfs/dbraw/zinc/38/40/52/209384052.db2.gz BNFPNYAGULOZSX-QHCPKHFHSA-N 1 0 360.888 6.064 1 0 FKAFRO C[N@H+](Cc1ccc(I)cc1)C/C1=C\CCCCCC1 ZINC000169292097 206248872 /nfs/dbraw/zinc/24/88/72/206248872.db2.gz MEBVDVKSUCNCRJ-CHHVJCJISA-N 1 0 369.290 5.004 1 0 FKAFRO O=C1C[C@H]([N@H+](Cc2ccccc2)[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000169303758 209516093 /nfs/dbraw/zinc/51/60/93/209516093.db2.gz AAEFZAOPNBNCRL-RDGATRHJSA-N 1 0 367.492 5.374 1 0 FKAFRO CCSc1nc2c(cc(-c3ccccc3)n2-c2ccccc2)c(=[NH2+])s1 ZINC000169313042 206250489 /nfs/dbraw/zinc/25/04/89/206250489.db2.gz WWXACISREQLKEB-UHFFFAOYSA-N 1 0 363.511 5.345 1 0 FKAFRO C[NH+](C)CCC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc21 ZINC000169316289 206250249 /nfs/dbraw/zinc/25/02/49/206250249.db2.gz PXVVTGYAEYPBLA-RELWKKBWSA-N 1 0 356.922 5.074 1 0 FKAFRO c1ccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000169317939 203876386 /nfs/dbraw/zinc/87/63/86/203876386.db2.gz OOXAMAXYPASGNA-RUZDIDTESA-N 1 0 362.561 5.311 1 0 FKAFRO CCCCC[NH2+]C[C@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000169325762 209517769 /nfs/dbraw/zinc/51/77/69/209517769.db2.gz KYADBKGHEZGXFJ-DEOSSOPVSA-N 1 0 360.501 5.229 1 0 FKAFRO CN(CCCCCC[NH+]1CCC(c2ccccc2)CC1)c1cccc(O)c1 ZINC000169326014 206250144 /nfs/dbraw/zinc/25/01/44/206250144.db2.gz DOYNNPHTWZNFPM-UHFFFAOYSA-N 1 0 366.549 5.268 1 0 FKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(CCC3CCCCC3)c2c1 ZINC000169326498 209517744 /nfs/dbraw/zinc/51/77/44/209517744.db2.gz LXMVIIVTFTVQHB-KRWDZBQOSA-N 1 0 369.553 5.296 1 0 FKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(CCC3CCCCC3)c2c1 ZINC000169326500 209518223 /nfs/dbraw/zinc/51/82/23/209518223.db2.gz LXMVIIVTFTVQHB-QGZVFWFLSA-N 1 0 369.553 5.296 1 0 FKAFRO C[NH+](C)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000169331290 206251575 /nfs/dbraw/zinc/25/15/75/206251575.db2.gz QPYNETAIAKXHTF-JIZIIQPCSA-N 1 0 373.544 5.235 1 0 FKAFRO Cc1ccc(-c2cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c3cc(C)cc(C)c3n2)cc1 ZINC000169334605 206251501 /nfs/dbraw/zinc/25/15/01/206251501.db2.gz HQCJBJGJAWODSX-GBXCKJPGSA-N 1 0 374.528 5.393 1 0 FKAFRO Cc1ccc(-c2cc([C@H](O)C[C@H]3CCCC[NH2+]3)c3cc(C)cc(C)c3n2)cc1 ZINC000169334608 206252713 /nfs/dbraw/zinc/25/27/13/206252713.db2.gz HQCJBJGJAWODSX-HYBUGGRVSA-N 1 0 374.528 5.393 1 0 FKAFRO O[C@H](C[C@H]1CCCC[NH2+]1)c1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000169334649 206251923 /nfs/dbraw/zinc/25/19/23/206251923.db2.gz MPCWZYMRZKKBIE-VGOFRKELSA-N 1 0 366.892 5.121 1 0 FKAFRO O[C@@H](C[C@@H]1CCCC[NH2+]1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000169334660 222563471 /nfs/dbraw/zinc/56/34/71/222563471.db2.gz OSIKORCARZAAQO-KKSFZXQISA-N 1 0 366.892 5.121 1 0 FKAFRO O[C@H](C[C@H]1CCCC[NH2+]1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000169334666 206251982 /nfs/dbraw/zinc/25/19/82/206251982.db2.gz OSIKORCARZAAQO-IIBYNOLFSA-N 1 0 366.892 5.121 1 0 FKAFRO Cc1ccc(-c2cc([C@H](O)C[NH+]3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000169334792 222563993 /nfs/dbraw/zinc/56/39/93/222563993.db2.gz YUKLPKIPEYYYGZ-XMMPIXPASA-N 1 0 360.501 5.038 1 0 FKAFRO Cc1cc(C)cc(-c2cc([C@H](O)C[C@H]3CCCC[NH2+]3)c3ccccc3n2)c1 ZINC000169334845 222563474 /nfs/dbraw/zinc/56/34/74/222563474.db2.gz LESUFCJHGHVDIG-NTKDMRAZSA-N 1 0 360.501 5.084 1 0 FKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc2ccsc2c2ccccc21 ZINC000169336971 222563538 /nfs/dbraw/zinc/56/35/38/222563538.db2.gz RODAWXPCKCHUOS-OAQYLSRUSA-N 1 0 355.547 5.990 1 0 FKAFRO CC(C)(C)[C@@]1(O)CC[N@@H+]2C[C@H]3CCc4ccccc4-c4cccc(c43)[C@@H]2C1 ZINC000169337523 206252172 /nfs/dbraw/zinc/25/21/72/206252172.db2.gz QALOPIQRQWRCTP-WSUBETFTSA-N 1 0 361.529 5.311 1 0 FKAFRO Cc1cc2ccc(-c3ccccc3)nc2c([C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000169338161 222563835 /nfs/dbraw/zinc/56/38/35/222563835.db2.gz CFVQCRSMFFENPA-QHCPKHFHSA-N 1 0 360.501 5.120 1 0 FKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cnc2c(C)cc(C)cc2c1Cl ZINC000169338271 206251317 /nfs/dbraw/zinc/25/13/17/206251317.db2.gz NHMQFOFQUZYJAR-LJQANCHMSA-N 1 0 362.945 5.441 1 0 FKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1c(Cl)cc(Cl)c2ncccc21 ZINC000169338274 209519998 /nfs/dbraw/zinc/51/99/98/209519998.db2.gz LSNFWNNVICBESW-QGZVFWFLSA-N 1 0 369.336 5.477 1 0 FKAFRO Cc1cc([C@@H](O)C[NH+]2CCCCCC2)cc2ccc(-c3ccccc3)nc12 ZINC000169338308 206251816 /nfs/dbraw/zinc/25/18/16/206251816.db2.gz HJNWYQGJRFIKDD-QHCPKHFHSA-N 1 0 360.501 5.120 1 0 FKAFRO Cc1cc([C@H](O)C[NH+]2CCCCCC2)cc2ccc(-c3ccccc3)nc12 ZINC000169338310 222563728 /nfs/dbraw/zinc/56/37/28/222563728.db2.gz HJNWYQGJRFIKDD-HSZRJFAPSA-N 1 0 360.501 5.120 1 0 FKAFRO Cc1cc(-c2ccccc2)nc2c(C)cc([C@@H](O)C[NH+]3CCCCCC3)cc12 ZINC000169338311 209519968 /nfs/dbraw/zinc/51/99/68/209519968.db2.gz WLLKHSQMPJEGEC-DEOSSOPVSA-N 1 0 374.528 5.428 1 0 FKAFRO Cc1cc(-c2ccccc2)nc2c(C)cc([C@H](O)C[NH+]3CCCCCC3)cc12 ZINC000169338313 206252501 /nfs/dbraw/zinc/25/25/01/206252501.db2.gz WLLKHSQMPJEGEC-XMMPIXPASA-N 1 0 374.528 5.428 1 0 FKAFRO CC[C@H]1c2ccccc2N(C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1=O ZINC000169341820 222565198 /nfs/dbraw/zinc/56/51/98/222565198.db2.gz AJLIYNOOTFOYSN-NZQKXSOJSA-N 1 0 374.528 5.069 1 0 FKAFRO CC[C@@H]1c2ccccc2N(C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1=O ZINC000169341823 222564790 /nfs/dbraw/zinc/56/47/90/222564790.db2.gz AJLIYNOOTFOYSN-OFNKIYASSA-N 1 0 374.528 5.069 1 0 FKAFRO CC[C@H]1c2ccccc2N(C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1=O ZINC000169341827 209520490 /nfs/dbraw/zinc/52/04/90/209520490.db2.gz AJLIYNOOTFOYSN-REWPJTCUSA-N 1 0 374.528 5.069 1 0 FKAFRO C[C@@H](CCC[NH+](C)C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000169343254 209520655 /nfs/dbraw/zinc/52/06/55/209520655.db2.gz UXALZDQQEPFNDH-HOTGVXAUSA-N 1 0 357.538 5.582 1 0 FKAFRO C[C@@H](CCC[NH+](C)C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000169343256 206251947 /nfs/dbraw/zinc/25/19/47/206251947.db2.gz UXALZDQQEPFNDH-CVEARBPZSA-N 1 0 357.538 5.582 1 0 FKAFRO CC[N@@H+]1[C@@H](CC[C@@H]2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@@H]32)CCC1(C)C ZINC000169347346 206254101 /nfs/dbraw/zinc/25/41/01/206254101.db2.gz JMUXXPVTXZBUDS-GCOKGBOCSA-N 1 0 361.570 5.034 1 0 FKAFRO C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2c3c1cccc3CCc1ccccc12 ZINC000169359717 206253529 /nfs/dbraw/zinc/25/35/29/206253529.db2.gz DNSDIYWJKBRJKP-RIEVBORMSA-N 1 0 353.509 5.583 1 0 FKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](c1nc3ccccc3s1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000169371810 206254513 /nfs/dbraw/zinc/25/45/13/206254513.db2.gz VNCQCMIYVRPIMZ-HBXLWWENSA-N 1 0 368.933 5.684 1 0 FKAFRO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)c1ccccc1 ZINC000255976058 223000677 /nfs/dbraw/zinc/00/06/77/223000677.db2.gz HEXUVKQFPIUPML-QSWKYWCCSA-N 1 0 371.524 5.574 1 0 FKAFRO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccccc1 ZINC000255976059 210218490 /nfs/dbraw/zinc/21/84/90/210218490.db2.gz HEXUVKQFPIUPML-TYNUAKKSSA-N 1 0 371.524 5.574 1 0 FKAFRO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1ccccc1 ZINC000006202023 207133182 /nfs/dbraw/zinc/13/31/82/207133182.db2.gz ZWMWNOXLPBMYMO-DQAOFOOOSA-N 1 0 358.485 5.141 3 0 FKAFRO C[N@@H+]1C[C@@H]2[C@@H](c3ccccc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008679902 207240111 /nfs/dbraw/zinc/24/01/11/207240111.db2.gz GCILWQXCVMXYDE-CAOORNBYSA-N 1 0 365.520 5.805 3 0 FKAFRO C[N@@H+]1C[C@@H]2[C@@H](c3ccccc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008690100 204338958 /nfs/dbraw/zinc/33/89/58/204338958.db2.gz UKSLWRALKJDMKI-MUUWIZIASA-N 1 0 366.508 5.200 3 0 FKAFRO C[N@@H+]1C[C@@H]2[C@H](c3ccccc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812894 220095372 /nfs/dbraw/zinc/09/53/72/220095372.db2.gz GCILWQXCVMXYDE-ILQJIGPNSA-N 1 0 365.520 5.805 3 0 FKAFRO C[N@@H+]1C[C@@H]2[C@H](c3ccccc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812975 220095579 /nfs/dbraw/zinc/09/55/79/220095579.db2.gz UKSLWRALKJDMKI-WIPBBCIJSA-N 1 0 366.508 5.200 3 0 FKAFRO CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3cccc(C)c3)s2)cc1 ZINC000015936896 211151050 /nfs/dbraw/zinc/15/10/50/211151050.db2.gz GGOBLNCIDYYEIH-UHFFFAOYSA-N 1 0 372.517 5.701 3 0 FKAFRO C(=C/c1ccccc1)\c1sc(Nc2ccccc2)n[n+]1-c1ccccc1 ZINC000015974359 220173910 /nfs/dbraw/zinc/17/39/10/220173910.db2.gz PTSQHEQDJSBJCM-WUKNDPDISA-N 1 0 356.474 5.334 3 0 FKAFRO CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 ZINC000036386665 205013706 /nfs/dbraw/zinc/01/37/06/205013706.db2.gz PRYQSCKWFZFLNT-AOMIVXANSA-N 1 0 369.597 6.037 3 0 FKAFRO [NH3+][C@H](c1csc(NC(=O)Nc2cccc(Cl)c2)n1)C1CCCCC1 ZINC000061896303 212027168 /nfs/dbraw/zinc/02/71/68/212027168.db2.gz QSJGUZXUCAPLTE-HNNXBMFYSA-N 1 0 364.902 5.021 3 0 FKAFRO CC(C)C[C@H]([NH3+])c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000061897664 212026758 /nfs/dbraw/zinc/02/67/58/212026758.db2.gz FDOCSWGFXDSARI-AWEZNQCLSA-N 1 0 360.527 5.131 3 0 FKAFRO CC(C)C[C@@H]([NH3+])c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000061897667 212027209 /nfs/dbraw/zinc/02/72/09/212027209.db2.gz FDOCSWGFXDSARI-CQSZACIVSA-N 1 0 360.527 5.131 3 0 FKAFRO CC(=O)c1ccc(O[C@]2(C)CC[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000061902703 212026154 /nfs/dbraw/zinc/02/61/54/212026154.db2.gz AJHUMSXXWNOSEE-XMMPIXPASA-N 1 0 359.469 5.086 3 0 FKAFRO CC(C)c1ccc(NC(=O)Nc2nc([C@H]([NH3+])C3CCCCC3)cs2)cc1 ZINC000061903175 221135948 /nfs/dbraw/zinc/13/59/48/221135948.db2.gz AQSLRJWHQXZJDW-GOSISDBHSA-N 1 0 372.538 5.491 3 0 FKAFRO CC(C)c1ccc(NC(=O)Nc2nc([C@@H]([NH3+])C3CCCCC3)cs2)cc1 ZINC000061903176 205288053 /nfs/dbraw/zinc/28/80/53/205288053.db2.gz AQSLRJWHQXZJDW-SFHVURJKSA-N 1 0 372.538 5.491 3 0 FKAFRO CCCCNC(=O)[C@@]1(C)CCCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC000061905303 221137285 /nfs/dbraw/zinc/13/72/85/221137285.db2.gz PVDVAAVHEIHLJO-XMMPIXPASA-N 1 0 364.533 5.015 3 0 FKAFRO CSc1ccc(O[C@]2(C)CC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000061906937 221136633 /nfs/dbraw/zinc/13/66/33/221136633.db2.gz YDATWSJWHAYKPR-OAQYLSRUSA-N 1 0 353.487 5.198 3 0 FKAFRO [NH3+][C@@H](c1csc(NC(=O)Nc2ccccc2Cl)n1)C1CCCCC1 ZINC000061906970 212026198 /nfs/dbraw/zinc/02/61/98/212026198.db2.gz WIAMGDCJQDRGIF-OAHLLOKOSA-N 1 0 364.902 5.021 3 0 FKAFRO [NH3+][C@H](c1csc(NC(=O)Nc2ccccc2Cl)n1)C1CCCCC1 ZINC000061906971 212027195 /nfs/dbraw/zinc/02/71/95/212027195.db2.gz WIAMGDCJQDRGIF-HNNXBMFYSA-N 1 0 364.902 5.021 3 0 FKAFRO COc1ccc(C[N@@H+]2CC[C@](C)(Oc3cccc(F)c3)C2)c2ccccc12 ZINC000061926610 212028204 /nfs/dbraw/zinc/02/82/04/212028204.db2.gz UMNDBDNXPSFPNZ-QHCPKHFHSA-N 1 0 365.448 5.031 3 0 FKAFRO COc1ccc(C[N@@H+]2CC[C@@](C)(Oc3cccc(F)c3)C2)c2ccccc12 ZINC000061926611 221136885 /nfs/dbraw/zinc/13/68/85/221136885.db2.gz UMNDBDNXPSFPNZ-HSZRJFAPSA-N 1 0 365.448 5.031 3 0 FKAFRO CC(=O)c1ccc(O[C@]2(C)CC[N@H+](Cc3csc4ccccc34)C2)cc1 ZINC000061929156 205289582 /nfs/dbraw/zinc/28/95/82/205289582.db2.gz ADFAZDYJGVMZSA-JOCHJYFZSA-N 1 0 365.498 5.147 3 0 FKAFRO C[NH+](C)CCOc1ccc(-c2c3ccccc3sc2-c2ccccc2)cc1 ZINC000061947951 221138178 /nfs/dbraw/zinc/13/81/78/221138178.db2.gz HQDXGLXETMQWFK-UHFFFAOYSA-N 1 0 373.521 6.176 3 0 FKAFRO CC1CCC(CN2C(Nc3ccccc3)=[NH+]C[C@@H]2Cc2ccccc2)CC1 ZINC000061959466 208601957 /nfs/dbraw/zinc/60/19/57/208601957.db2.gz HAHMEPQTVAKNKP-IRSIHTCSSA-N 1 0 361.533 5.208 3 0 FKAFRO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccccc1 ZINC000095568338 209080321 /nfs/dbraw/zinc/08/03/21/209080321.db2.gz GOGIGBZOEFMTAL-DEOSSOPVSA-N 1 0 372.512 5.158 3 0 FKAFRO C(=C/N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)\Cc1ccccc1 ZINC000100069475 209209585 /nfs/dbraw/zinc/20/95/85/209209585.db2.gz SSKFWBSXNIWCBH-VCHYOVAHSA-N 1 0 368.524 5.150 3 0 in-man FKAFRO