smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1noc(CN2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000276198109 776633720 /nfs/dbraw/zinc/63/37/20/776633720.db2.gz JUTHCZMUBWQALM-UHFFFAOYSA-N 1 2 363.437 1.739 20 10 FDCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC000896568608 824609171 /nfs/dbraw/zinc/60/91/71/824609171.db2.gz AYEVHPOQJWWNNT-CRAIPNDOSA-N 1 2 355.486 1.853 20 10 FDCDLO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000896568608 824609177 /nfs/dbraw/zinc/60/91/77/824609177.db2.gz AYEVHPOQJWWNNT-CRAIPNDOSA-N 1 2 355.486 1.853 20 10 FDCDLO Cn1c2ccncc2n(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1=O ZINC000156638384 862566148 /nfs/dbraw/zinc/56/61/48/862566148.db2.gz FJRNULYDKAMABL-UHFFFAOYSA-N 1 2 367.453 1.661 20 10 FDCDLO Cn1c2ccncc2n(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1=O ZINC000156638384 862566156 /nfs/dbraw/zinc/56/61/56/862566156.db2.gz FJRNULYDKAMABL-UHFFFAOYSA-N 1 2 367.453 1.661 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000912751275 860155040 /nfs/dbraw/zinc/15/50/40/860155040.db2.gz BSYVLAGMRDJRCZ-IBGZPJMESA-N 1 2 355.438 1.655 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000912751275 860155046 /nfs/dbraw/zinc/15/50/46/860155046.db2.gz BSYVLAGMRDJRCZ-IBGZPJMESA-N 1 2 355.438 1.655 20 10 FDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000915365700 876155845 /nfs/dbraw/zinc/15/58/45/876155845.db2.gz HJINCNPLUFRTAH-HNNXBMFYSA-N 1 2 352.454 1.802 20 10 FDCDLO CNS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708196802 886899726 /nfs/dbraw/zinc/89/97/26/886899726.db2.gz KQFDPSJLKNCWIR-UHFFFAOYSA-N 1 2 357.657 1.447 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNc3ncnc(N)c3Cl)CC2)cc1 ZINC000764798525 905698713 /nfs/dbraw/zinc/69/87/13/905698713.db2.gz DKDBALIEZKJXME-UHFFFAOYSA-N 1 2 362.865 1.955 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000785438934 908207209 /nfs/dbraw/zinc/20/72/09/908207209.db2.gz HYDSLEFSWFDTEF-KRWDZBQOSA-N 1 2 355.442 1.429 20 10 FDCDLO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc(Br)c1O ZINC000731451066 918110297 /nfs/dbraw/zinc/11/02/97/918110297.db2.gz GQOMIBACBHUKJX-UHFFFAOYSA-N 1 2 363.277 1.670 20 10 FDCDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cccc(Br)c3O)CCN2C1=O ZINC000770292327 929957145 /nfs/dbraw/zinc/95/71/45/929957145.db2.gz PGIDWTTVIIECFD-LBPRGKRZSA-N 1 2 368.231 1.623 20 10 FDCDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)CCN2C1=O ZINC000770292327 929957146 /nfs/dbraw/zinc/95/71/46/929957146.db2.gz PGIDWTTVIIECFD-LBPRGKRZSA-N 1 2 368.231 1.623 20 10 FDCDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nnc3n2CCOC3)ccc1N1CCCCC1 ZINC000791007012 933820274 /nfs/dbraw/zinc/82/02/74/933820274.db2.gz FZIMNJUNKBVDMU-UHFFFAOYSA-N 1 2 372.429 1.997 20 10 FDCDLO C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(N(C)C)cc1 ZINC000806990252 940179164 /nfs/dbraw/zinc/17/91/64/940179164.db2.gz YYRMBDKOGOSFGC-CQSZACIVSA-N 1 2 365.437 1.894 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000807101145 940250832 /nfs/dbraw/zinc/25/08/32/940250832.db2.gz VBJSGGHXRUSGTB-MRXNPFEDSA-N 1 2 369.469 1.807 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(N(C)C)cc1 ZINC000807677176 940454068 /nfs/dbraw/zinc/45/40/68/940454068.db2.gz MEIGDRKOQQFRSH-ZBFHGGJFSA-N 1 2 369.469 1.679 20 10 FDCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000809460257 940842541 /nfs/dbraw/zinc/84/25/41/940842541.db2.gz VUNJCGRVPPPAEY-HNNXBMFYSA-N 1 2 356.426 1.459 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1O ZINC000810156927 940961947 /nfs/dbraw/zinc/96/19/47/940961947.db2.gz ZUTFVZQWBIQPTI-MRXNPFEDSA-N 1 2 358.442 1.847 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1O ZINC000810156927 940961950 /nfs/dbraw/zinc/96/19/50/940961950.db2.gz ZUTFVZQWBIQPTI-MRXNPFEDSA-N 1 2 358.442 1.847 20 10 FDCDLO COc1ccc(O)c(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000810404163 940990963 /nfs/dbraw/zinc/99/09/63/940990963.db2.gz HSYBOBVIQOQBTF-MRXNPFEDSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1ccc(O)c(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000810404163 940990964 /nfs/dbraw/zinc/99/09/64/940990964.db2.gz HSYBOBVIQOQBTF-MRXNPFEDSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1ccc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c(O)c1 ZINC000811484910 941135781 /nfs/dbraw/zinc/13/57/81/941135781.db2.gz OYOTUDREOUDAGB-INIZCTEOSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1ccc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c(O)c1 ZINC000811484910 941135782 /nfs/dbraw/zinc/13/57/82/941135782.db2.gz OYOTUDREOUDAGB-INIZCTEOSA-N 1 2 374.441 1.514 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)OCC13CCC3)cc2=O ZINC000844422251 948048734 /nfs/dbraw/zinc/04/87/34/948048734.db2.gz LCGIKCFPKYTFRB-GFCCVEGCSA-N 1 2 360.414 1.755 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)OCC13CCC3)cc2=O ZINC000844422251 948048739 /nfs/dbraw/zinc/04/87/39/948048739.db2.gz LCGIKCFPKYTFRB-GFCCVEGCSA-N 1 2 360.414 1.755 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3C[C@@H](C)C[C@H]3CO)cc12 ZINC001184356440 963540102 /nfs/dbraw/zinc/54/01/02/963540102.db2.gz ITVDHDVNWQBMNB-WFASDCNBSA-N 1 2 374.437 1.468 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3C[C@@H](C)C[C@H]3CO)cc12 ZINC001184356440 963540105 /nfs/dbraw/zinc/54/01/05/963540105.db2.gz ITVDHDVNWQBMNB-WFASDCNBSA-N 1 2 374.437 1.468 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC4(C3)CCCO4)cc12 ZINC001184360196 963541338 /nfs/dbraw/zinc/54/13/38/963541338.db2.gz XLOGRHSSUGRJSK-UHFFFAOYSA-N 1 2 372.421 1.630 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC4(C3)CCCO4)cc12 ZINC001184360196 963541343 /nfs/dbraw/zinc/54/13/43/963541343.db2.gz XLOGRHSSUGRJSK-UHFFFAOYSA-N 1 2 372.421 1.630 20 10 FDCDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180130272 965106312 /nfs/dbraw/zinc/10/63/12/965106312.db2.gz GAKSPAKREZULNV-NUCSPZLJSA-N 1 2 370.453 1.790 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@](C)(C4CC4)C3)CC2)cc1 ZINC000852324417 967223615 /nfs/dbraw/zinc/22/36/15/967223615.db2.gz STDMWAUVDQVBKJ-OAQYLSRUSA-N 1 2 373.497 1.845 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@](C)(C4CC4)C3)CC2)cc1 ZINC000852324417 967223624 /nfs/dbraw/zinc/22/36/24/967223624.db2.gz STDMWAUVDQVBKJ-OAQYLSRUSA-N 1 2 373.497 1.845 20 10 FDCDLO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCN1S(C)(=O)=O ZINC000853565011 968127522 /nfs/dbraw/zinc/12/75/22/968127522.db2.gz YGZXQTUCHYPWOD-GFCCVEGCSA-N 1 2 356.488 1.861 20 10 FDCDLO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCN1S(C)(=O)=O ZINC000853565011 968127530 /nfs/dbraw/zinc/12/75/30/968127530.db2.gz YGZXQTUCHYPWOD-GFCCVEGCSA-N 1 2 356.488 1.861 20 10 FDCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)c2c[nH+]c[nH]2)cc1 ZINC000865058993 974045489 /nfs/dbraw/zinc/04/54/89/974045489.db2.gz BKQPKQJPAVHXDC-WMZOPIPTSA-N 1 2 358.442 1.717 20 10 FDCDLO C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](C)[NH+]1CCOCC1 ZINC000105206669 974467782 /nfs/dbraw/zinc/46/77/82/974467782.db2.gz YCODHQORONLNBB-HZPDHXFCSA-N 1 2 360.502 1.977 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852138687 979385124 /nfs/dbraw/zinc/38/51/24/979385124.db2.gz RLDKBPDLJONXGA-IBGZPJMESA-N 1 2 356.470 1.679 20 10 FDCDLO Cc1cc(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)n1-c1ccc(F)cn1 ZINC000828091373 979605796 /nfs/dbraw/zinc/60/57/96/979605796.db2.gz PCLLJLSRVWJRLG-UHFFFAOYSA-N 1 2 363.433 1.734 20 10 FDCDLO Cc1cc(C(=O)C[N@H+](C)CC(C)(CO)CO)c(C)n1-c1ccc(F)cn1 ZINC000828091373 979605804 /nfs/dbraw/zinc/60/58/04/979605804.db2.gz PCLLJLSRVWJRLG-UHFFFAOYSA-N 1 2 363.433 1.734 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882265274 980523753 /nfs/dbraw/zinc/52/37/53/980523753.db2.gz DQDISCFCAWDGEU-OAHLLOKOSA-N 1 2 350.488 1.808 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000361140205 988281050 /nfs/dbraw/zinc/28/10/50/988281050.db2.gz ARDFBQWHELUANH-UHFFFAOYSA-N 1 2 373.497 1.737 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@@](C)(C(N)=O)c2ccccc2)cc1 ZINC000298374649 990077692 /nfs/dbraw/zinc/07/76/92/990077692.db2.gz GGLULDUBLPZKHM-HXUWFJFHSA-N 1 2 354.454 1.359 20 10 FDCDLO COc1ccc(N2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)c(OC)c1 ZINC000877708442 993459609 /nfs/dbraw/zinc/45/96/09/993459609.db2.gz MGOFNAVEHBXPQV-UHFFFAOYSA-N 1 2 363.502 1.937 20 10 FDCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826510620 996808888 /nfs/dbraw/zinc/80/88/88/996808888.db2.gz ATXJOTUCQINUJP-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287360516 999956799 /nfs/dbraw/zinc/95/67/99/999956799.db2.gz YFCCCZYYAIGNBH-GOEBONIOSA-N 1 2 364.465 1.896 20 10 FDCDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000931948774 1004630520 /nfs/dbraw/zinc/63/05/20/1004630520.db2.gz KFSCYXQSEMEYPM-MRXNPFEDSA-N 1 2 357.458 1.892 20 10 FDCDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000931948774 1004630527 /nfs/dbraw/zinc/63/05/27/1004630527.db2.gz KFSCYXQSEMEYPM-MRXNPFEDSA-N 1 2 357.458 1.892 20 10 FDCDLO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000779480369 1009624636 /nfs/dbraw/zinc/62/46/36/1009624636.db2.gz SVYKVMIIVOHMDE-HCABJEFNSA-N 1 2 364.467 1.435 20 10 FDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC ZINC000271120099 674312342 /nfs/dbraw/zinc/31/23/42/674312342.db2.gz XSSSNBYKLYGGHT-HNNXBMFYSA-N 1 2 350.415 1.233 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000172193446 524155012 /nfs/dbraw/zinc/15/50/12/524155012.db2.gz CLSPKTHANYZNOM-SFHVURJKSA-N 1 2 358.486 1.454 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000172193446 524155018 /nfs/dbraw/zinc/15/50/18/524155018.db2.gz CLSPKTHANYZNOM-SFHVURJKSA-N 1 2 358.486 1.454 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000156849654 524162371 /nfs/dbraw/zinc/16/23/71/524162371.db2.gz MJQIKAUYSHNWRM-MSOLQXFVSA-N 1 2 358.486 1.454 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000156849654 524162378 /nfs/dbraw/zinc/16/23/78/524162378.db2.gz MJQIKAUYSHNWRM-MSOLQXFVSA-N 1 2 358.486 1.454 20 10 FDCDLO C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000127268186 525404761 /nfs/dbraw/zinc/40/47/61/525404761.db2.gz WOVZNCBCIUXFGX-IAGOWNOFSA-N 1 2 358.486 1.971 20 10 FDCDLO COc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000179537350 525599560 /nfs/dbraw/zinc/59/95/60/525599560.db2.gz BDOKJMQAOYDZCZ-UHFFFAOYSA-N 1 2 362.451 1.907 20 10 FDCDLO Nc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000168286043 525616032 /nfs/dbraw/zinc/61/60/32/525616032.db2.gz IKHHFKZHRBEXLH-LJQANCHMSA-N 1 2 369.465 1.395 20 10 FDCDLO CC(=O)NC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180283244 525685123 /nfs/dbraw/zinc/68/51/23/525685123.db2.gz DEYPBNBBYDVXBX-AWEZNQCLSA-N 1 2 357.248 1.800 20 10 FDCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180283244 525685127 /nfs/dbraw/zinc/68/51/27/525685127.db2.gz DEYPBNBBYDVXBX-AWEZNQCLSA-N 1 2 357.248 1.800 20 10 FDCDLO Cc1nc(N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)cc[nH+]1 ZINC000185363644 536206664 /nfs/dbraw/zinc/20/66/64/536206664.db2.gz MIHQMMIQBAINBK-UHFFFAOYSA-N 1 2 354.458 1.883 20 10 FDCDLO CCCN1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1=O ZINC000189370820 537034944 /nfs/dbraw/zinc/03/49/44/537034944.db2.gz BEIUSIJQTLJVNW-UHFFFAOYSA-N 1 2 360.502 1.655 20 10 FDCDLO CCCN1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1=O ZINC000189370820 537034946 /nfs/dbraw/zinc/03/49/46/537034946.db2.gz BEIUSIJQTLJVNW-UHFFFAOYSA-N 1 2 360.502 1.655 20 10 FDCDLO COCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000293953853 537630751 /nfs/dbraw/zinc/63/07/51/537630751.db2.gz PHCBSXZBKPZGTI-NSHDSACASA-N 1 2 351.827 1.820 20 10 FDCDLO COCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000293953853 537630752 /nfs/dbraw/zinc/63/07/52/537630752.db2.gz PHCBSXZBKPZGTI-NSHDSACASA-N 1 2 351.827 1.820 20 10 FDCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376198695 537845273 /nfs/dbraw/zinc/84/52/73/537845273.db2.gz KPXCIQZUXYVMTR-VXGBXAGGSA-N 1 2 362.386 1.225 20 10 FDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC000368917503 537993417 /nfs/dbraw/zinc/99/34/17/537993417.db2.gz ICLSEMMWILEHCO-AWEZNQCLSA-N 1 2 362.474 1.782 20 10 FDCDLO CN1CCN(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C(=O)C1 ZINC000365256380 568375634 /nfs/dbraw/zinc/37/56/34/568375634.db2.gz NFRMCHOVHAOJQX-UHFFFAOYSA-N 1 2 355.841 1.923 20 10 FDCDLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000274166783 674585640 /nfs/dbraw/zinc/58/56/40/674585640.db2.gz GLWMMGMHUQJKAX-UHFFFAOYSA-N 1 2 367.515 1.429 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)CC2)cc1F ZINC000084866241 671480143 /nfs/dbraw/zinc/48/01/43/671480143.db2.gz NSBMQHISPXZSNP-AWEZNQCLSA-N 1 2 351.422 1.204 20 10 FDCDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866998 671480240 /nfs/dbraw/zinc/48/02/40/671480240.db2.gz OGVQIQHTJCSUQP-LBPRGKRZSA-N 1 2 352.410 1.191 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNc3cn[nH]c(=O)c3Cl)CC2)cc1 ZINC000299298318 676526046 /nfs/dbraw/zinc/52/60/46/676526046.db2.gz AIUOFQYBMFIAOM-UHFFFAOYSA-N 1 2 363.849 1.666 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378080279 678688166 /nfs/dbraw/zinc/68/81/66/678688166.db2.gz TVYQNIQRFYESJJ-UHFFFAOYSA-N 1 2 364.427 1.507 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CCC(=O)[C@@H]3C)CC2)cc1 ZINC000279749053 809060263 /nfs/dbraw/zinc/06/02/63/809060263.db2.gz YLGUOBCQANJIFD-IAGOWNOFSA-N 1 2 373.497 1.939 20 10 FDCDLO Cc1nc(N(C)C)nc(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH+]1 ZINC000840325643 823759041 /nfs/dbraw/zinc/75/90/41/823759041.db2.gz KAPONLDPHPAKNA-UHFFFAOYSA-N 1 2 364.400 1.973 20 10 FDCDLO Nc1ccc(CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000842242137 845885678 /nfs/dbraw/zinc/88/56/78/845885678.db2.gz OPWCWPGALZTWNG-QGZVFWFLSA-N 1 2 354.410 1.002 20 10 FDCDLO C[C@@H]1CCO[C@@H]1C(=O)NCCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001089863680 896937049 /nfs/dbraw/zinc/93/70/49/896937049.db2.gz CRYCULBSGYMACQ-CJNGLKHVSA-N 1 2 370.457 1.431 20 10 FDCDLO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC001168801453 928108752 /nfs/dbraw/zinc/10/87/52/928108752.db2.gz PDRBFMRYRGYMTJ-KGLIPLIRSA-N 1 2 371.489 1.768 20 10 FDCDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cccc(Br)c3O)CCN2C1=O ZINC000770292326 929957018 /nfs/dbraw/zinc/95/70/18/929957018.db2.gz PGIDWTTVIIECFD-GFCCVEGCSA-N 1 2 368.231 1.623 20 10 FDCDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(Br)c3O)CCN2C1=O ZINC000770292326 929957024 /nfs/dbraw/zinc/95/70/24/929957024.db2.gz PGIDWTTVIIECFD-GFCCVEGCSA-N 1 2 368.231 1.623 20 10 FDCDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000806665256 940013366 /nfs/dbraw/zinc/01/33/66/940013366.db2.gz LJEWPNBECXNNPJ-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000806665256 940013373 /nfs/dbraw/zinc/01/33/73/940013373.db2.gz LJEWPNBECXNNPJ-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(Br)cc(F)c1O ZINC000810263933 940969388 /nfs/dbraw/zinc/96/93/88/940969388.db2.gz VHOWQOWWEBRBNE-QMMMGPOBSA-N 1 2 369.256 1.836 20 10 FDCDLO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cscn3)CC2)cc1 ZINC000818987674 943374376 /nfs/dbraw/zinc/37/43/76/943374376.db2.gz HAZFBFSXHLVINQ-KRWDZBQOSA-N 1 2 362.499 1.424 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3cnnn3C)cc12 ZINC001184356302 963540340 /nfs/dbraw/zinc/54/03/40/963540340.db2.gz FBGWZDPBZBHZIO-UHFFFAOYSA-N 1 2 357.370 1.006 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3cnnn3C)cc12 ZINC001184356302 963540344 /nfs/dbraw/zinc/54/03/44/963540344.db2.gz FBGWZDPBZBHZIO-UHFFFAOYSA-N 1 2 357.370 1.006 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC(=N)c3ncc[nH]3)cc12 ZINC001184362061 963543713 /nfs/dbraw/zinc/54/37/13/963543713.db2.gz MIEMIKPPVUMFLZ-UHFFFAOYSA-N 1 2 369.381 1.104 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC(=N)c3ncc[nH]3)cc12 ZINC001184362061 963543716 /nfs/dbraw/zinc/54/37/16/963543716.db2.gz MIEMIKPPVUMFLZ-UHFFFAOYSA-N 1 2 369.381 1.104 20 10 FDCDLO COCC1CN(C(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184355347 963559068 /nfs/dbraw/zinc/55/90/68/963559068.db2.gz XVVRUIFEDBKXRS-UHFFFAOYSA-N 1 2 360.410 1.344 20 10 FDCDLO COCC1CN(C(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184355347 963559074 /nfs/dbraw/zinc/55/90/74/963559074.db2.gz XVVRUIFEDBKXRS-UHFFFAOYSA-N 1 2 360.410 1.344 20 10 FDCDLO O=C(CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(O)c(O)c1 ZINC001176971441 963624729 /nfs/dbraw/zinc/62/47/29/963624729.db2.gz VZPZPGDTZQHYBD-AWEZNQCLSA-N 1 2 355.394 1.708 20 10 FDCDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1O ZINC001177089231 963679866 /nfs/dbraw/zinc/67/98/66/963679866.db2.gz VBFPDWOOZLAVGU-AWEZNQCLSA-N 1 2 360.414 1.868 20 10 FDCDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1O ZINC001177089231 963679873 /nfs/dbraw/zinc/67/98/73/963679873.db2.gz VBFPDWOOZLAVGU-AWEZNQCLSA-N 1 2 360.414 1.868 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000852712500 967549302 /nfs/dbraw/zinc/54/93/02/967549302.db2.gz QSAOOJRYDJUFEG-GOSISDBHSA-N 1 2 363.408 1.970 20 10 FDCDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc[nH+]1 ZINC000853955395 968467320 /nfs/dbraw/zinc/46/73/20/968467320.db2.gz MXYLJGRNSLAJNX-CQSZACIVSA-N 1 2 357.458 1.843 20 10 FDCDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]cn1 ZINC000853955395 968467327 /nfs/dbraw/zinc/46/73/27/968467327.db2.gz MXYLJGRNSLAJNX-CQSZACIVSA-N 1 2 357.458 1.843 20 10 FDCDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000865462675 974311867 /nfs/dbraw/zinc/31/18/67/974311867.db2.gz PEMDGHGPSUYWSE-UHFFFAOYSA-N 1 2 363.487 1.384 20 10 FDCDLO CC[C@]1(C)C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000135636339 984924688 /nfs/dbraw/zinc/92/46/88/984924688.db2.gz UTJCPFQIMSXIQK-HXUWFJFHSA-N 1 2 361.486 1.845 20 10 FDCDLO CC[C@]1(C)C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000135636339 984924694 /nfs/dbraw/zinc/92/46/94/984924694.db2.gz UTJCPFQIMSXIQK-HXUWFJFHSA-N 1 2 361.486 1.845 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c(OC)c1 ZINC000870164889 985760267 /nfs/dbraw/zinc/76/02/67/985760267.db2.gz FTLVAIQJQSGKES-HNNXBMFYSA-N 1 2 370.453 1.812 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC000297440575 989535385 /nfs/dbraw/zinc/53/53/85/989535385.db2.gz OCQZJDYIOXUCHG-UHFFFAOYSA-N 1 2 364.490 1.825 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC000297440575 989535398 /nfs/dbraw/zinc/53/53/98/989535398.db2.gz OCQZJDYIOXUCHG-UHFFFAOYSA-N 1 2 364.490 1.825 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000373585042 992305765 /nfs/dbraw/zinc/30/57/65/992305765.db2.gz MQCVLCOEFJFPOH-SFHVURJKSA-N 1 2 368.481 1.971 20 10 FDCDLO COc1ccc(N2CC[NH+](CCN3C[C@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000879463496 994928671 /nfs/dbraw/zinc/92/86/71/994928671.db2.gz YNHAMOLMAIGBBY-IRXDYDNUSA-N 1 2 363.502 1.935 20 10 FDCDLO COc1ccc(N2CC[NH+](CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000879463494 994928879 /nfs/dbraw/zinc/92/88/79/994928879.db2.gz YNHAMOLMAIGBBY-CALCHBBNSA-N 1 2 363.502 1.935 20 10 FDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000267448363 999338749 /nfs/dbraw/zinc/33/87/49/999338749.db2.gz LGOPIGDVOYGMHC-UHFFFAOYSA-N 1 2 372.400 1.550 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283873418 999762742 /nfs/dbraw/zinc/76/27/42/999762742.db2.gz LBPLKQRJHORAJT-HNNXBMFYSA-N 1 2 355.442 1.304 20 10 FDCDLO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000778229844 1005716965 /nfs/dbraw/zinc/71/69/65/1005716965.db2.gz AILNUYQYUHGOOM-WMLDXEAASA-N 1 2 367.440 1.958 20 10 FDCDLO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000778229844 1005716967 /nfs/dbraw/zinc/71/69/67/1005716967.db2.gz AILNUYQYUHGOOM-WMLDXEAASA-N 1 2 367.440 1.958 20 10 FDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC ZINC000271120101 674312271 /nfs/dbraw/zinc/31/22/71/674312271.db2.gz XSSSNBYKLYGGHT-OAHLLOKOSA-N 1 2 350.415 1.233 20 10 FDCDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000137384896 524238665 /nfs/dbraw/zinc/23/86/65/524238665.db2.gz IIXJKLUGUZBCTQ-UHFFFAOYSA-N 1 2 357.458 1.951 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120497198 526086121 /nfs/dbraw/zinc/08/61/21/526086121.db2.gz KEAGIJUSWXPTRW-CQSZACIVSA-N 1 2 372.874 1.904 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120497198 526086132 /nfs/dbraw/zinc/08/61/32/526086132.db2.gz KEAGIJUSWXPTRW-CQSZACIVSA-N 1 2 372.874 1.904 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278192382 537278073 /nfs/dbraw/zinc/27/80/73/537278073.db2.gz IEDLFBFVKDWJBO-LBPRGKRZSA-N 1 2 373.431 1.213 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278192382 537278077 /nfs/dbraw/zinc/27/80/77/537278077.db2.gz IEDLFBFVKDWJBO-LBPRGKRZSA-N 1 2 373.431 1.213 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000279578407 537350620 /nfs/dbraw/zinc/35/06/20/537350620.db2.gz UIHCPZDWOVVWCD-QGZVFWFLSA-N 1 2 358.486 1.925 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](COC)c1ccco1)cc2=O ZINC000273220322 537418639 /nfs/dbraw/zinc/41/86/39/537418639.db2.gz AQXNXSUHNXDZMC-ZDUSSCGKSA-N 1 2 360.370 1.682 20 10 FDCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)NS(C)(=O)=O ZINC000109041250 671619921 /nfs/dbraw/zinc/61/99/21/671619921.db2.gz MBIMNJALYGDXHX-UHFFFAOYSA-N 1 2 351.266 1.572 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000265632053 672957069 /nfs/dbraw/zinc/95/70/69/672957069.db2.gz SEKWHMWJVHJDCL-UHFFFAOYSA-N 1 2 364.427 1.391 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000285043449 675787373 /nfs/dbraw/zinc/78/73/73/675787373.db2.gz GXLYYFXPSLKVJI-UHFFFAOYSA-N 1 2 369.483 1.951 20 10 FDCDLO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000529640870 694790465 /nfs/dbraw/zinc/79/04/65/694790465.db2.gz DSKDXAVOVLQYBX-QGZVFWFLSA-N 1 2 358.841 1.890 20 10 FDCDLO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891878309 779920617 /nfs/dbraw/zinc/92/06/17/779920617.db2.gz HKDSKWGVHJEVBH-UHFFFAOYSA-N 1 2 354.838 1.009 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766047026 882124220 /nfs/dbraw/zinc/12/42/20/882124220.db2.gz BVHRBKLVOLSVOW-UHFFFAOYSA-N 1 2 355.504 1.203 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(C)n3)CC2)cc1 ZINC000742919724 926214978 /nfs/dbraw/zinc/21/49/78/926214978.db2.gz DDFFHKKJBCBWSU-UHFFFAOYSA-N 1 2 354.454 1.951 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CC3CCC3)CC2)cc1 ZINC000771754382 930862662 /nfs/dbraw/zinc/86/26/62/930862662.db2.gz PLIKYIGBNVNUJA-UHFFFAOYSA-N 1 2 367.515 1.537 20 10 FDCDLO COC(=O)/C=C/c1ccc(N(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000788565999 932740911 /nfs/dbraw/zinc/74/09/11/932740911.db2.gz QYBUWZSLZDFDQB-HZRUHFOJSA-N 1 2 363.414 1.938 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000807098561 940248673 /nfs/dbraw/zinc/24/86/73/940248673.db2.gz YDELURYNFMIWNX-OAHLLOKOSA-N 1 2 355.442 1.005 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000807100654 940249650 /nfs/dbraw/zinc/24/96/50/940249650.db2.gz OFDOGYJTBJKNEB-SFHVURJKSA-N 1 2 369.469 1.737 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000809460094 940842421 /nfs/dbraw/zinc/84/24/21/940842421.db2.gz OZCWKKNHDCRKPT-HNNXBMFYSA-N 1 2 355.442 1.039 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000810628664 941029846 /nfs/dbraw/zinc/02/98/46/941029846.db2.gz OIZPTDXOBWAFHX-HNNXBMFYSA-N 1 2 374.441 1.253 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000810628664 941029851 /nfs/dbraw/zinc/02/98/51/941029851.db2.gz OIZPTDXOBWAFHX-HNNXBMFYSA-N 1 2 374.441 1.253 20 10 FDCDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)c(C)c1 ZINC000815012531 941752047 /nfs/dbraw/zinc/75/20/47/941752047.db2.gz LXRSBXYTJBLADQ-MRXNPFEDSA-N 1 2 367.515 1.186 20 10 FDCDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)c(C)c1 ZINC000815012531 941752048 /nfs/dbraw/zinc/75/20/48/941752048.db2.gz LXRSBXYTJBLADQ-MRXNPFEDSA-N 1 2 367.515 1.186 20 10 FDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(Br)c1O ZINC000824677630 946676370 /nfs/dbraw/zinc/67/63/70/946676370.db2.gz GXDGMAZZUIGYIZ-SNVBAGLBSA-N 1 2 351.266 1.572 20 10 FDCDLO C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)n1cc[nH+]c1 ZINC000844346703 947982958 /nfs/dbraw/zinc/98/29/58/947982958.db2.gz KZEVYKYQYMVBJX-RDJZCZTQSA-N 1 2 369.469 1.852 20 10 FDCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001144504544 949715242 /nfs/dbraw/zinc/71/52/42/949715242.db2.gz UOMDCQPKWSQHEC-CJNGLKHVSA-N 1 2 366.414 1.624 20 10 FDCDLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144504544 949715250 /nfs/dbraw/zinc/71/52/50/949715250.db2.gz UOMDCQPKWSQHEC-CJNGLKHVSA-N 1 2 366.414 1.624 20 10 FDCDLO O=C(CCc1ccc(O)c(O)c1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001182154484 961502496 /nfs/dbraw/zinc/50/24/96/961502496.db2.gz ILPSJHJKPBUEHT-UHFFFAOYSA-N 1 2 360.414 1.198 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@H]3C[C@@H](O)C3)cc12 ZINC001184362156 963543517 /nfs/dbraw/zinc/54/35/17/963543517.db2.gz NALCLQDVXNRLSB-XBXGTLAGSA-N 1 2 360.410 1.126 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@H]3C[C@@H](O)C3)cc12 ZINC001184362156 963543521 /nfs/dbraw/zinc/54/35/21/963543521.db2.gz NALCLQDVXNRLSB-XBXGTLAGSA-N 1 2 360.410 1.126 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2CCC(N3CC[NH+](C)CC3)CC2)cc1OC ZINC000866213453 975490061 /nfs/dbraw/zinc/49/00/61/975490061.db2.gz VFJHFVJHPFBZIT-UHFFFAOYSA-N 1 2 364.446 1.828 20 10 FDCDLO CCc1cccc(C[N@H+](CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1O ZINC000848877034 977218417 /nfs/dbraw/zinc/21/84/17/977218417.db2.gz NXOFRGDRAIAATO-OAHLLOKOSA-N 1 2 354.472 1.080 20 10 FDCDLO CCc1cccc(C[N@@H+](CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1O ZINC000848877034 977218429 /nfs/dbraw/zinc/21/84/29/977218429.db2.gz NXOFRGDRAIAATO-OAHLLOKOSA-N 1 2 354.472 1.080 20 10 FDCDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(F)c(N(C)C)cc3F)CCN2C1=O ZINC000862251666 984283999 /nfs/dbraw/zinc/28/39/99/984283999.db2.gz KPXDGTQGQSVLMV-OAHLLOKOSA-N 1 2 352.385 1.499 20 10 FDCDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(F)c(N(C)C)cc3F)CCN2C1=O ZINC000862251666 984284011 /nfs/dbraw/zinc/28/40/11/984284011.db2.gz KPXDGTQGQSVLMV-OAHLLOKOSA-N 1 2 352.385 1.499 20 10 FDCDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000884693541 984699737 /nfs/dbraw/zinc/69/97/37/984699737.db2.gz DDOXNZHXZOWSKG-SFHVURJKSA-N 1 2 352.438 1.230 20 10 FDCDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000884693541 984699739 /nfs/dbraw/zinc/69/97/39/984699739.db2.gz DDOXNZHXZOWSKG-SFHVURJKSA-N 1 2 352.438 1.230 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368304341 988987783 /nfs/dbraw/zinc/98/77/83/988987783.db2.gz MDJWDSJNXCJQDA-LJQANCHMSA-N 1 2 358.486 1.949 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368304341 988987788 /nfs/dbraw/zinc/98/77/88/988987788.db2.gz MDJWDSJNXCJQDA-LJQANCHMSA-N 1 2 358.486 1.949 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000368838437 989012250 /nfs/dbraw/zinc/01/22/50/989012250.db2.gz LSGOCMXVLYZWMP-UHFFFAOYSA-N 1 2 369.469 1.383 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000368838437 989012263 /nfs/dbraw/zinc/01/22/63/989012263.db2.gz LSGOCMXVLYZWMP-UHFFFAOYSA-N 1 2 369.469 1.383 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)CC(C)(C)N1CCOCC1 ZINC000877598427 993372108 /nfs/dbraw/zinc/37/21/08/993372108.db2.gz FFEQJLWBWHVKJQ-UHFFFAOYSA-N 1 2 350.459 1.868 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC(C)(C)N1CCOCC1 ZINC000877598427 993372125 /nfs/dbraw/zinc/37/21/25/993372125.db2.gz FFEQJLWBWHVKJQ-UHFFFAOYSA-N 1 2 350.459 1.868 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)CC(C)(C)[NH+]1CCOCC1 ZINC000877598427 993372133 /nfs/dbraw/zinc/37/21/33/993372133.db2.gz FFEQJLWBWHVKJQ-UHFFFAOYSA-N 1 2 350.459 1.868 20 10 FDCDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2C1 ZINC000877790265 993514769 /nfs/dbraw/zinc/51/47/69/993514769.db2.gz FANLAAXISZOTII-JKSUJKDBSA-N 1 2 368.474 1.529 20 10 FDCDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2C1 ZINC000877790265 993514775 /nfs/dbraw/zinc/51/47/75/993514775.db2.gz FANLAAXISZOTII-JKSUJKDBSA-N 1 2 368.474 1.529 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3n[nH]c(C)c3C)CC2)cc1 ZINC000265276828 997747382 /nfs/dbraw/zinc/74/73/82/997747382.db2.gz XGJZEJHDRQAYJB-UHFFFAOYSA-N 1 2 357.458 1.587 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777466116 999099957 /nfs/dbraw/zinc/09/99/57/999099957.db2.gz QWCPAMBMOASYSK-INIZCTEOSA-N 1 2 355.442 1.534 20 10 FDCDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000284154823 999778535 /nfs/dbraw/zinc/77/85/35/999778535.db2.gz QNSHQLAGGORRAA-ZYIDEWGLSA-N 1 2 371.481 1.468 20 10 FDCDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000284154823 999778537 /nfs/dbraw/zinc/77/85/37/999778537.db2.gz QNSHQLAGGORRAA-ZYIDEWGLSA-N 1 2 371.481 1.468 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3cccc(=O)[nH]3)CC2)cc1 ZINC000933394740 1005550913 /nfs/dbraw/zinc/55/09/13/1005550913.db2.gz VKGNLVWSTBPCHS-UHFFFAOYSA-N 1 2 370.453 1.576 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3cccc(=O)[nH]3)CC2)cc1 ZINC000933394740 1005550914 /nfs/dbraw/zinc/55/09/14/1005550914.db2.gz VKGNLVWSTBPCHS-UHFFFAOYSA-N 1 2 370.453 1.576 20 10 FDCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000091929080 1006984713 /nfs/dbraw/zinc/98/47/13/1006984713.db2.gz MIGUPRVUNAUOAY-UHFFFAOYSA-N 1 2 372.513 1.799 20 10 FDCDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000779432355 1009247245 /nfs/dbraw/zinc/24/72/45/1009247245.db2.gz CTQCJSQIVUSLTR-NSHDSACASA-N 1 2 354.204 1.199 20 10 FDCDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1O ZINC000779432355 1009247255 /nfs/dbraw/zinc/24/72/55/1009247255.db2.gz CTQCJSQIVUSLTR-NSHDSACASA-N 1 2 354.204 1.199 20 10 FDCDLO Cc1cc(C[NH+]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)on1 ZINC000022254297 518895639 /nfs/dbraw/zinc/89/56/39/518895639.db2.gz IHVHKJBBQBGCBR-UHFFFAOYSA-N 1 2 371.485 1.483 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3snnc3C)CC2)cc1 ZINC000038598302 519635094 /nfs/dbraw/zinc/63/50/94/519635094.db2.gz YRHSBECNIGXJCL-UHFFFAOYSA-N 1 2 361.471 1.407 20 10 FDCDLO O=C(C[NH+]1CCSCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051914811 523093048 /nfs/dbraw/zinc/09/30/48/523093048.db2.gz KDEQQIKPAFOVKW-UHFFFAOYSA-N 1 2 353.463 1.327 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)c1O ZINC000184675081 536175201 /nfs/dbraw/zinc/17/52/01/536175201.db2.gz KYTIFGZZARYVIO-UHFFFAOYSA-N 1 2 355.866 1.696 20 10 FDCDLO O=C(NCC[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000278437729 537326272 /nfs/dbraw/zinc/32/62/72/537326272.db2.gz SIWVURQKIASEGE-UHFFFAOYSA-N 1 2 358.236 1.286 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000278575411 537338904 /nfs/dbraw/zinc/33/89/04/537338904.db2.gz CPKCMCFHJLGGDZ-LBPRGKRZSA-N 1 2 358.416 1.708 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000278575411 537338910 /nfs/dbraw/zinc/33/89/10/537338910.db2.gz CPKCMCFHJLGGDZ-LBPRGKRZSA-N 1 2 358.416 1.708 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000283527898 537379819 /nfs/dbraw/zinc/37/98/19/537379819.db2.gz PCVIOOMERPNGLD-HNNXBMFYSA-N 1 2 355.442 1.498 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000278756520 675190801 /nfs/dbraw/zinc/19/08/01/675190801.db2.gz BGXSKAGTBYKXOD-HNNXBMFYSA-N 1 2 370.446 1.734 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000278756520 675190804 /nfs/dbraw/zinc/19/08/04/675190804.db2.gz BGXSKAGTBYKXOD-HNNXBMFYSA-N 1 2 370.446 1.734 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000298400396 676459064 /nfs/dbraw/zinc/45/90/64/676459064.db2.gz QKSNZGNIMDHHPU-UHFFFAOYSA-N 1 2 351.516 1.776 20 10 FDCDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)CCN2C1=O ZINC000375880624 678189889 /nfs/dbraw/zinc/18/98/89/678189889.db2.gz NTUKOEMTBSBGJU-AWEZNQCLSA-N 1 2 365.817 1.717 20 10 FDCDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)CCN2C1=O ZINC000375880624 678189893 /nfs/dbraw/zinc/18/98/93/678189893.db2.gz NTUKOEMTBSBGJU-AWEZNQCLSA-N 1 2 365.817 1.717 20 10 FDCDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(O)c1O ZINC000275133891 771358278 /nfs/dbraw/zinc/35/82/78/771358278.db2.gz ODIIFGBZRNBNOY-AWEZNQCLSA-N 1 2 356.426 1.433 20 10 FDCDLO CN(C)c1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)[nH+]cn1 ZINC000894519868 818139972 /nfs/dbraw/zinc/13/99/72/818139972.db2.gz UGFRNYMMBZJTPR-UHFFFAOYSA-N 1 2 361.471 1.390 20 10 FDCDLO CN(C)c1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc[nH+]1 ZINC000894519868 818139976 /nfs/dbraw/zinc/13/99/76/818139976.db2.gz UGFRNYMMBZJTPR-UHFFFAOYSA-N 1 2 361.471 1.390 20 10 FDCDLO Nc1nn2c(nc(C[N@H+](Cc3ccco3)Cc3ccccc3O)cc2=O)[nH]1 ZINC001167983491 818454303 /nfs/dbraw/zinc/45/43/03/818454303.db2.gz NFNONTLLQIEEHF-UHFFFAOYSA-N 1 2 366.381 1.501 20 10 FDCDLO Cc1nnc(CN2CC[NH+](Cc3c(O)cccc3Br)CC2)[nH]1 ZINC000895263413 822341137 /nfs/dbraw/zinc/34/11/37/822341137.db2.gz SDPWOWRAOLCKGI-UHFFFAOYSA-N 1 2 366.263 1.899 20 10 FDCDLO CN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]2C1=O ZINC000895457796 822607958 /nfs/dbraw/zinc/60/79/58/822607958.db2.gz RQCWGILGGFBQFD-AOOOYVTPSA-N 1 2 373.634 1.855 20 10 FDCDLO CN1C(=O)[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]2C1=O ZINC000895457796 822607960 /nfs/dbraw/zinc/60/79/60/822607960.db2.gz RQCWGILGGFBQFD-AOOOYVTPSA-N 1 2 373.634 1.855 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)/C=C(/C)C[NH+]3CCOCC3)C2)cc1 ZINC000912293120 859566859 /nfs/dbraw/zinc/56/68/59/859566859.db2.gz RUZQMUNGFHAYGF-VZVUQDNOSA-N 1 2 359.470 1.669 20 10 FDCDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761108820 864110353 /nfs/dbraw/zinc/11/03/53/864110353.db2.gz DILWRLVDKBDPLV-FQEVSTJZSA-N 1 2 361.486 1.845 20 10 FDCDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761108820 864110367 /nfs/dbraw/zinc/11/03/67/864110367.db2.gz DILWRLVDKBDPLV-FQEVSTJZSA-N 1 2 361.486 1.845 20 10 FDCDLO C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804149283 886571378 /nfs/dbraw/zinc/57/13/78/886571378.db2.gz ZFSWDQVVNGXYJI-GUYCJALGSA-N 1 2 369.425 1.470 20 10 FDCDLO C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804149283 886571389 /nfs/dbraw/zinc/57/13/89/886571389.db2.gz ZFSWDQVVNGXYJI-GUYCJALGSA-N 1 2 369.425 1.470 20 10 FDCDLO O=C(CN1CC[NH+](Cc2cc(F)ccc2O)CC1)NCc1ccccc1 ZINC000179902953 889049406 /nfs/dbraw/zinc/04/94/06/889049406.db2.gz MGJSKGVXLMCACU-UHFFFAOYSA-N 1 2 357.429 1.965 20 10 FDCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000770665778 930171546 /nfs/dbraw/zinc/17/15/46/930171546.db2.gz ONIRXDOQOOQHGS-HOTGVXAUSA-N 1 2 372.421 1.433 20 10 FDCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000770665778 930171552 /nfs/dbraw/zinc/17/15/52/930171552.db2.gz ONIRXDOQOOQHGS-HOTGVXAUSA-N 1 2 372.421 1.433 20 10 FDCDLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816600142 942271849 /nfs/dbraw/zinc/27/18/49/942271849.db2.gz MHAZBBQUITXBEF-RNCFNFMXSA-N 1 2 350.843 1.992 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)NCCc3cn(C)c[nH+]3)C2)cc1 ZINC000823688885 945913461 /nfs/dbraw/zinc/91/34/61/945913461.db2.gz VWQXDLBHSXTWAU-HNNXBMFYSA-N 1 2 357.458 1.797 20 10 FDCDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001144841510 951185250 /nfs/dbraw/zinc/18/52/50/951185250.db2.gz JUQHICWNZSARKN-UHFFFAOYSA-N 1 2 364.496 1.316 20 10 FDCDLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773083256 955271566 /nfs/dbraw/zinc/27/15/66/955271566.db2.gz CUZPNJKCORVQKA-OAHLLOKOSA-N 1 2 355.504 1.455 20 10 FDCDLO CN1CCN(c2ccc(C[NH2+]C3CC[NH+](CC(=O)[O-])CC3)cc2F)CC1 ZINC001329775503 957706694 /nfs/dbraw/zinc/70/66/94/957706694.db2.gz UFAWHWRUAKMEON-UHFFFAOYSA-N 1 2 364.465 1.216 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000774212585 961841866 /nfs/dbraw/zinc/84/18/66/961841866.db2.gz HSGIFFHYYNHFEG-NSHDSACASA-N 1 2 354.366 1.864 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3C[C@H](O)[C@@H](C)C3)cc12 ZINC001184356765 963539991 /nfs/dbraw/zinc/53/99/91/963539991.db2.gz OTCJFPCRVJNPFX-LRDDRELGSA-N 1 2 360.410 1.078 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3C[C@H](O)[C@@H](C)C3)cc12 ZINC001184356765 963539997 /nfs/dbraw/zinc/53/99/97/963539997.db2.gz OTCJFPCRVJNPFX-LRDDRELGSA-N 1 2 360.410 1.078 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@]3(C)CCCOC3)cc12 ZINC001184363486 963543131 /nfs/dbraw/zinc/54/31/31/963543131.db2.gz QIHVGGCZCNLKPC-HXUWFJFHSA-N 1 2 374.437 1.924 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@]3(C)CCCOC3)cc12 ZINC001184363486 963543134 /nfs/dbraw/zinc/54/31/34/963543134.db2.gz QIHVGGCZCNLKPC-HXUWFJFHSA-N 1 2 374.437 1.924 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCCOC(C)C)cc12 ZINC001184355051 963558761 /nfs/dbraw/zinc/55/87/61/963558761.db2.gz OFJIXBUUDRAJTB-UHFFFAOYSA-N 1 2 362.426 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCCOC(C)C)cc12 ZINC001184355051 963558767 /nfs/dbraw/zinc/55/87/67/963558767.db2.gz OFJIXBUUDRAJTB-UHFFFAOYSA-N 1 2 362.426 1.780 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000852266805 967172071 /nfs/dbraw/zinc/17/20/71/967172071.db2.gz UOCLUJYZXLFSHV-HUUCEWRRSA-N 1 2 355.442 1.785 20 10 FDCDLO C[C@@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC001192892154 969351195 /nfs/dbraw/zinc/35/11/95/969351195.db2.gz XTBVUECSBLDIBY-CYBMUJFWSA-N 1 2 357.462 1.207 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)N[C@@H](CO)Cc3c[nH]c[nH+]3)cs2)cc1 ZINC001193176685 969504539 /nfs/dbraw/zinc/50/45/39/969504539.db2.gz VJQPIOZIXVGRSP-CQSZACIVSA-N 1 2 371.466 1.933 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)N[C@@H](CO)Cc3c[nH+]c[nH]3)cs2)cc1 ZINC001193176685 969504544 /nfs/dbraw/zinc/50/45/44/969504544.db2.gz VJQPIOZIXVGRSP-CQSZACIVSA-N 1 2 371.466 1.933 20 10 FDCDLO C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)[NH+]1CCOCC1 ZINC000105206674 974467869 /nfs/dbraw/zinc/46/78/69/974467869.db2.gz YCODHQORONLNBB-HOTGVXAUSA-N 1 2 360.502 1.977 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000882265273 980523802 /nfs/dbraw/zinc/52/38/02/980523802.db2.gz DQDISCFCAWDGEU-HNNXBMFYSA-N 1 2 350.488 1.808 20 10 FDCDLO CN(CC[NH2+]Cc1cc(Br)cc(F)c1O)CCOCCO ZINC000883347634 982089536 /nfs/dbraw/zinc/08/95/36/982089536.db2.gz WFQAHLSEHMCPAW-UHFFFAOYSA-N 1 2 365.243 1.324 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000870166253 985762446 /nfs/dbraw/zinc/76/24/46/985762446.db2.gz XKTSNROIWILUMD-CQSZACIVSA-N 1 2 358.442 1.954 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)c(OC)c1 ZINC000870166253 985762455 /nfs/dbraw/zinc/76/24/55/985762455.db2.gz XKTSNROIWILUMD-CQSZACIVSA-N 1 2 358.442 1.954 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000368828791 989012199 /nfs/dbraw/zinc/01/21/99/989012199.db2.gz HHCLZISHCGCCKA-UHFFFAOYSA-N 1 2 368.481 1.988 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000368828791 989012209 /nfs/dbraw/zinc/01/22/09/989012209.db2.gz HHCLZISHCGCCKA-UHFFFAOYSA-N 1 2 368.481 1.988 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875119061 990921240 /nfs/dbraw/zinc/92/12/40/990921240.db2.gz YQUFNMSYODHZCS-CQSZACIVSA-N 1 2 373.432 1.407 20 10 FDCDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc4c(c3)CCN4C)C2)CC1 ZINC000372454778 991122849 /nfs/dbraw/zinc/12/28/49/991122849.db2.gz PHGAJTUESVRQJS-IBGZPJMESA-N 1 2 371.529 1.600 20 10 FDCDLO C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CC[NH2+]CC1=O ZINC000876754258 992875526 /nfs/dbraw/zinc/87/55/26/992875526.db2.gz DOFAUKIXAXQBFU-MRXNPFEDSA-N 1 2 358.486 1.359 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283061832 999739509 /nfs/dbraw/zinc/73/95/09/999739509.db2.gz AZRFXZLWBZNYCP-UHFFFAOYSA-N 1 2 357.458 1.504 20 10 FDCDLO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000935463544 1005915904 /nfs/dbraw/zinc/91/59/04/1005915904.db2.gz JSVFFZGUNWCQQX-IPELMVKDSA-N 1 2 361.486 1.810 20 10 FDCDLO O=C(NCC[NH+]1CCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000053955144 523539810 /nfs/dbraw/zinc/53/98/10/523539810.db2.gz ZHDWKZUBJKUTLE-KRWDZBQOSA-N 1 2 363.458 1.415 20 10 FDCDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022743 524387319 /nfs/dbraw/zinc/38/73/19/524387319.db2.gz ASQIMBAOEPSWSR-RISCZKNCSA-N 1 2 374.890 1.559 20 10 FDCDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022743 524387329 /nfs/dbraw/zinc/38/73/29/524387329.db2.gz ASQIMBAOEPSWSR-RISCZKNCSA-N 1 2 374.890 1.559 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000177275395 525268009 /nfs/dbraw/zinc/26/80/09/525268009.db2.gz MQGNRIZTIGYYLP-INIZCTEOSA-N 1 2 359.392 1.710 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000177275395 525268015 /nfs/dbraw/zinc/26/80/15/525268015.db2.gz MQGNRIZTIGYYLP-INIZCTEOSA-N 1 2 359.392 1.710 20 10 FDCDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCOCC1 ZINC000105205915 525475079 /nfs/dbraw/zinc/47/50/79/525475079.db2.gz DFPJBEIDHPWLRM-UONOGXRCSA-N 1 2 352.454 1.800 20 10 FDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)c1O ZINC000179628756 525607278 /nfs/dbraw/zinc/60/72/78/525607278.db2.gz WDUUAGIIMWLVRC-UHFFFAOYSA-N 1 2 353.850 1.523 20 10 FDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283276144 537365379 /nfs/dbraw/zinc/36/53/79/537365379.db2.gz GFUYUAPVFLGZQG-UHFFFAOYSA-N 1 2 357.458 1.503 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000283937925 537394795 /nfs/dbraw/zinc/39/47/95/537394795.db2.gz NNVAOYDKEAOZEE-HNNXBMFYSA-N 1 2 357.458 1.550 20 10 FDCDLO O=C(NCCNc1cccc[nH+]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000298987865 537397985 /nfs/dbraw/zinc/39/79/85/537397985.db2.gz KGLPFRZQPSCBCZ-UHFFFAOYSA-N 1 2 373.432 1.969 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3ccccn3)CC2)cc1 ZINC000295102900 537710934 /nfs/dbraw/zinc/71/09/34/537710934.db2.gz GPBZTMHXPLNVLT-UHFFFAOYSA-N 1 2 354.454 1.871 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3ccccn3)CC2)cc1 ZINC000295102900 537710935 /nfs/dbraw/zinc/71/09/35/537710935.db2.gz GPBZTMHXPLNVLT-UHFFFAOYSA-N 1 2 354.454 1.871 20 10 FDCDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)cc(OC)c1OC ZINC000273643114 674557884 /nfs/dbraw/zinc/55/78/84/674557884.db2.gz UVTNQTXYUUAOPN-ZDUSSCGKSA-N 1 2 351.447 1.311 20 10 FDCDLO O=C(NCCC[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000277744153 675028736 /nfs/dbraw/zinc/02/87/36/675028736.db2.gz MQQRUCJKQUNXFI-UHFFFAOYSA-N 1 2 372.263 1.676 20 10 FDCDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CS(=O)(=O)CC ZINC000278286699 675117481 /nfs/dbraw/zinc/11/74/81/675117481.db2.gz UKNSKMMKLCRLKX-LLVKDONJSA-N 1 2 360.432 1.954 20 10 FDCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CS(=O)(=O)CC ZINC000278286699 675117485 /nfs/dbraw/zinc/11/74/85/675117485.db2.gz UKNSKMMKLCRLKX-LLVKDONJSA-N 1 2 360.432 1.954 20 10 FDCDLO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1O ZINC000294680741 676395873 /nfs/dbraw/zinc/39/58/73/676395873.db2.gz MWNBPZBCMIMOJS-UHFFFAOYSA-N 1 2 373.856 1.407 20 10 FDCDLO COc1ccc(C[NH+]2CCN(C(=O)c3cccn3C)CC2)c(O)c1OC ZINC000891539933 778257553 /nfs/dbraw/zinc/25/75/53/778257553.db2.gz GQKHNSIMLCQNHA-UHFFFAOYSA-N 1 2 359.426 1.706 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000515076979 816092597 /nfs/dbraw/zinc/09/25/97/816092597.db2.gz BERGIZORESXPSG-CYBMUJFWSA-N 1 2 353.426 1.504 20 10 FDCDLO CS(=O)(=O)N1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000707130983 886769743 /nfs/dbraw/zinc/76/97/43/886769743.db2.gz YZKDYRNHRIYGHZ-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO CS(=O)(=O)N1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000707130983 886769757 /nfs/dbraw/zinc/76/97/57/886769757.db2.gz YZKDYRNHRIYGHZ-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708195785 886900042 /nfs/dbraw/zinc/90/00/42/886900042.db2.gz CBFNCPAPMVKOFU-UHFFFAOYSA-N 1 2 357.657 1.447 20 10 FDCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC000179792862 888982301 /nfs/dbraw/zinc/98/23/01/888982301.db2.gz BFVDDRZHJYWJAE-UHFFFAOYSA-N 1 2 360.502 1.702 20 10 FDCDLO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000785429246 905159896 /nfs/dbraw/zinc/15/98/96/905159896.db2.gz XTGCHBMZSAVPCK-QAPCUYQASA-N 1 2 369.469 1.675 20 10 FDCDLO COC(=O)C[N@H+](CCCN1CCOC1=O)Cc1cc(Cl)ccc1O ZINC000731845202 918669248 /nfs/dbraw/zinc/66/92/48/918669248.db2.gz ROWCXIJSMMIMHT-UHFFFAOYSA-N 1 2 356.806 1.863 20 10 FDCDLO COC(=O)C[N@@H+](CCCN1CCOC1=O)Cc1cc(Cl)ccc1O ZINC000731845202 918669260 /nfs/dbraw/zinc/66/92/60/918669260.db2.gz ROWCXIJSMMIMHT-UHFFFAOYSA-N 1 2 356.806 1.863 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(Br)ccc1O ZINC000804916040 938606257 /nfs/dbraw/zinc/60/62/57/938606257.db2.gz UVMMMXTYTRZEGY-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000809459603 940842550 /nfs/dbraw/zinc/84/25/50/940842550.db2.gz DGQJEYLPSJNQQI-MRXNPFEDSA-N 1 2 370.453 1.849 20 10 FDCDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000846120904 950518028 /nfs/dbraw/zinc/51/80/28/950518028.db2.gz GEBKUTCQCWGCGX-NMNMAYGDSA-N 1 2 357.410 1.282 20 10 FDCDLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000857256183 971677863 /nfs/dbraw/zinc/67/78/63/971677863.db2.gz AHMWWHTZFXIPFR-UHFFFAOYSA-N 1 2 367.421 1.300 20 10 FDCDLO O=C(CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc(O)c(O)c1 ZINC001176971442 963624857 /nfs/dbraw/zinc/62/48/57/963624857.db2.gz VZPZPGDTZQHYBD-CQSZACIVSA-N 1 2 355.394 1.708 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCC[NH+]2CC3(COC3)C2)c1 ZINC001186850228 964770069 /nfs/dbraw/zinc/77/00/69/964770069.db2.gz VEOTWZJEPKVOKS-UHFFFAOYSA-N 1 2 355.438 1.862 20 10 FDCDLO CN(C)c1ccc(/C=C/C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001180124018 965119000 /nfs/dbraw/zinc/11/90/00/965119000.db2.gz WPZAHNFNDVJAGK-VMPITWQZSA-N 1 2 369.469 1.933 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852192657 967081843 /nfs/dbraw/zinc/08/18/43/967081843.db2.gz SPHFGYPIUBCEQV-FQEVSTJZSA-N 1 2 372.421 1.130 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852192657 967081855 /nfs/dbraw/zinc/08/18/55/967081855.db2.gz SPHFGYPIUBCEQV-FQEVSTJZSA-N 1 2 372.421 1.130 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)NC[C@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC001193176275 969504830 /nfs/dbraw/zinc/50/48/30/969504830.db2.gz RWUXTONMTJIVRR-HNNXBMFYSA-N 1 2 360.483 1.937 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC001193176275 969504836 /nfs/dbraw/zinc/50/48/36/969504836.db2.gz RWUXTONMTJIVRR-HNNXBMFYSA-N 1 2 360.483 1.937 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854988475 970085607 /nfs/dbraw/zinc/08/56/07/970085607.db2.gz YDKZYSIUHXYYKN-HUUCEWRRSA-N 1 2 357.410 1.821 20 10 FDCDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634318 970658942 /nfs/dbraw/zinc/65/89/42/970658942.db2.gz REHGWXACQBBFKA-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634318 970658947 /nfs/dbraw/zinc/65/89/47/970658947.db2.gz REHGWXACQBBFKA-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC001201842906 975174480 /nfs/dbraw/zinc/17/44/80/975174480.db2.gz SAONJBLYXZENQB-UHFFFAOYSA-N 1 2 350.843 1.946 20 10 FDCDLO CCc1cccc(C[N@H+](CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1O ZINC000848877033 977218449 /nfs/dbraw/zinc/21/84/49/977218449.db2.gz NXOFRGDRAIAATO-HNNXBMFYSA-N 1 2 354.472 1.080 20 10 FDCDLO CCc1cccc(C[N@@H+](CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1O ZINC000848877033 977218464 /nfs/dbraw/zinc/21/84/64/977218464.db2.gz NXOFRGDRAIAATO-HNNXBMFYSA-N 1 2 354.472 1.080 20 10 FDCDLO COC(=O)CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716991 979012941 /nfs/dbraw/zinc/01/29/41/979012941.db2.gz SXZOXNPLYBLQTI-KRWDZBQOSA-N 1 2 364.442 1.450 20 10 FDCDLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716991 979012948 /nfs/dbraw/zinc/01/29/48/979012948.db2.gz SXZOXNPLYBLQTI-KRWDZBQOSA-N 1 2 364.442 1.450 20 10 FDCDLO COc1ccc(N2CCC[N@@H+]([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1 ZINC000851733172 979020336 /nfs/dbraw/zinc/02/03/36/979020336.db2.gz LYMXCYRRFYULPU-DLBZAZTESA-N 1 2 354.472 1.019 20 10 FDCDLO COc1ccc(N2CCC[N@H+]([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1 ZINC000851733172 979020342 /nfs/dbraw/zinc/02/03/42/979020342.db2.gz LYMXCYRRFYULPU-DLBZAZTESA-N 1 2 354.472 1.019 20 10 FDCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000883144047 981978007 /nfs/dbraw/zinc/97/80/07/981978007.db2.gz CQDZQXCZIOMERD-JTQLQIEISA-N 1 2 361.627 1.550 20 10 FDCDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000360448624 988039524 /nfs/dbraw/zinc/03/95/24/988039524.db2.gz NUUFQMXJNSQUJQ-UABRLCRWSA-N 1 2 359.470 1.597 20 10 FDCDLO Cc1n[nH]c(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000365826513 988119045 /nfs/dbraw/zinc/11/90/45/988119045.db2.gz VCAHKTGICCCEEI-UHFFFAOYSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000365826513 988119049 /nfs/dbraw/zinc/11/90/49/988119049.db2.gz VCAHKTGICCCEEI-UHFFFAOYSA-N 1 2 356.474 1.675 20 10 FDCDLO C[C@@H](O)CNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000298287068 990013098 /nfs/dbraw/zinc/01/30/98/990013098.db2.gz PYRHAFHGQPDFJU-OAHLLOKOSA-N 1 2 357.458 1.742 20 10 FDCDLO C[C@@H](O)CNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000298287068 990013110 /nfs/dbraw/zinc/01/31/10/990013110.db2.gz PYRHAFHGQPDFJU-OAHLLOKOSA-N 1 2 357.458 1.742 20 10 FDCDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1Cc2cccc(O)c2C1 ZINC000875139785 990952193 /nfs/dbraw/zinc/95/21/93/990952193.db2.gz CCJDLUAATIYRJX-SFHVURJKSA-N 1 2 363.483 1.625 20 10 FDCDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)nn1 ZINC000877176620 993089748 /nfs/dbraw/zinc/08/97/48/993089748.db2.gz SWQOSRSKCNZSPK-CQSZACIVSA-N 1 2 357.458 1.349 20 10 FDCDLO COCCn1cc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)cn1 ZINC000877708373 993460207 /nfs/dbraw/zinc/46/02/07/993460207.db2.gz KBNHQCBWVBEIKX-UHFFFAOYSA-N 1 2 360.458 1.869 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000929527343 1002168862 /nfs/dbraw/zinc/16/88/62/1002168862.db2.gz MFXYTNCGZGAKFI-MOPGFXCFSA-N 1 2 361.486 1.591 20 10 FDCDLO O=C(NCCn1cc[nH+]c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000079876535 1010708464 /nfs/dbraw/zinc/70/84/64/1010708464.db2.gz CCARVWQJLGQBOY-UHFFFAOYSA-N 1 2 357.458 1.591 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCn3cccc3[C@H]1C)cc2=O ZINC000051960189 523097242 /nfs/dbraw/zinc/09/72/42/523097242.db2.gz SMFAMCSNVSYMNJ-GFCCVEGCSA-N 1 2 355.398 1.990 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCn3cccc3[C@H]1C)cc2=O ZINC000051960189 523097258 /nfs/dbraw/zinc/09/72/58/523097258.db2.gz SMFAMCSNVSYMNJ-GFCCVEGCSA-N 1 2 355.398 1.990 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC2)cc1F ZINC000084866793 524334085 /nfs/dbraw/zinc/33/40/85/524334085.db2.gz OZFXIFJXIFBZKW-CYBMUJFWSA-N 1 2 366.437 1.579 20 10 FDCDLO O=C(NC1CC1)C(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091929791 524813411 /nfs/dbraw/zinc/81/34/11/524813411.db2.gz PTRDGASFIDRODV-UHFFFAOYSA-N 1 2 370.497 1.600 20 10 FDCDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000092842967 524924352 /nfs/dbraw/zinc/92/43/52/524924352.db2.gz SERFQYNRSWUMQT-CYBMUJFWSA-N 1 2 360.863 1.762 20 10 FDCDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000092842967 524924365 /nfs/dbraw/zinc/92/43/65/524924365.db2.gz SERFQYNRSWUMQT-CYBMUJFWSA-N 1 2 360.863 1.762 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1F ZINC000155457292 525872544 /nfs/dbraw/zinc/87/25/44/525872544.db2.gz WBUDZOZLNAPJCZ-UHFFFAOYSA-N 1 2 371.460 1.725 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120361745 526038899 /nfs/dbraw/zinc/03/88/99/526038899.db2.gz BLCDNTKSEGUALL-CQSZACIVSA-N 1 2 356.419 1.390 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120361745 526038902 /nfs/dbraw/zinc/03/89/02/526038902.db2.gz BLCDNTKSEGUALL-CQSZACIVSA-N 1 2 356.419 1.390 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000171911674 526180814 /nfs/dbraw/zinc/18/08/14/526180814.db2.gz YICAOYLMYCYQEG-SFHVURJKSA-N 1 2 355.442 1.356 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000283901871 537391207 /nfs/dbraw/zinc/39/12/07/537391207.db2.gz GJZQAFJQKDKNGI-UHFFFAOYSA-N 1 2 371.485 1.894 20 10 FDCDLO C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000372616076 537989864 /nfs/dbraw/zinc/98/98/64/537989864.db2.gz DPTSSCVEYVZKKO-KGLIPLIRSA-N 1 2 355.429 1.728 20 10 FDCDLO C[N@@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1O ZINC000271781344 674381074 /nfs/dbraw/zinc/38/10/74/674381074.db2.gz GWPCTWYVKBGQFR-UHFFFAOYSA-N 1 2 352.026 1.834 20 10 FDCDLO C[N@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1O ZINC000271781344 674381072 /nfs/dbraw/zinc/38/10/72/674381072.db2.gz GWPCTWYVKBGQFR-UHFFFAOYSA-N 1 2 352.026 1.834 20 10 FDCDLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1O ZINC000821649691 606322355 /nfs/dbraw/zinc/32/23/55/606322355.db2.gz BEAYPUXRLSMCGZ-MRXNPFEDSA-N 1 2 353.382 1.918 20 10 FDCDLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1O ZINC000821649691 606322356 /nfs/dbraw/zinc/32/23/56/606322356.db2.gz BEAYPUXRLSMCGZ-MRXNPFEDSA-N 1 2 353.382 1.918 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1OC ZINC000286515637 675896489 /nfs/dbraw/zinc/89/64/89/675896489.db2.gz ZFTQOVQDSVEZHM-STQMWFEESA-N 1 2 351.403 1.911 20 10 FDCDLO CCN(CCC[NH2+]Cc1cccc(Br)c1O)S(C)(=O)=O ZINC000048797552 671086312 /nfs/dbraw/zinc/08/63/12/671086312.db2.gz KSYLCECZBCDXDX-UHFFFAOYSA-N 1 2 365.293 1.916 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000274602951 768896226 /nfs/dbraw/zinc/89/62/26/768896226.db2.gz LUEBUCMINOPAOY-FQEVSTJZSA-N 1 2 373.497 1.640 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000274602951 768896239 /nfs/dbraw/zinc/89/62/39/768896239.db2.gz LUEBUCMINOPAOY-FQEVSTJZSA-N 1 2 373.497 1.640 20 10 FDCDLO NC(=O)C1(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CCCCC1 ZINC000378345043 793974390 /nfs/dbraw/zinc/97/43/90/793974390.db2.gz GPZWNYHBMGFQEZ-UHFFFAOYSA-N 1 2 361.442 1.427 20 10 FDCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893902306 809794420 /nfs/dbraw/zinc/79/44/20/809794420.db2.gz VBCWDTBDKVLZGV-UHFFFAOYSA-N 1 2 361.211 1.584 20 10 FDCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893902306 809794424 /nfs/dbraw/zinc/79/44/24/809794424.db2.gz VBCWDTBDKVLZGV-UHFFFAOYSA-N 1 2 361.211 1.584 20 10 FDCDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000172617784 865719014 /nfs/dbraw/zinc/71/90/14/865719014.db2.gz VWVTVDQRAIKNBU-UHFFFAOYSA-N 1 2 358.486 1.973 20 10 FDCDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000172617784 865719021 /nfs/dbraw/zinc/71/90/21/865719021.db2.gz VWVTVDQRAIKNBU-UHFFFAOYSA-N 1 2 358.486 1.973 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000917062949 882890438 /nfs/dbraw/zinc/89/04/38/882890438.db2.gz YXHDORRAHJOHOC-WOJBJXKFSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000917062949 882890460 /nfs/dbraw/zinc/89/04/60/882890460.db2.gz YXHDORRAHJOHOC-WOJBJXKFSA-N 1 2 373.497 1.987 20 10 FDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(F)c1O ZINC000824999012 947033670 /nfs/dbraw/zinc/03/36/70/947033670.db2.gz CHYGNLSTGOLYIO-NSHDSACASA-N 1 2 370.392 1.212 20 10 FDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(F)c1O ZINC000824999012 947033673 /nfs/dbraw/zinc/03/36/73/947033673.db2.gz CHYGNLSTGOLYIO-NSHDSACASA-N 1 2 370.392 1.212 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000845126931 948711344 /nfs/dbraw/zinc/71/13/44/948711344.db2.gz FTTVAABUQAKEJW-OAHLLOKOSA-N 1 2 357.458 1.984 20 10 FDCDLO COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000774248309 961913774 /nfs/dbraw/zinc/91/37/74/961913774.db2.gz QLOGHPVUMTVOGT-UHFFFAOYSA-N 1 2 354.366 1.612 20 10 FDCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000774475338 962230936 /nfs/dbraw/zinc/23/09/36/962230936.db2.gz ZTBIOCYQFQBRMD-UHFFFAOYSA-N 1 2 371.485 1.894 20 10 FDCDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)C1 ZINC001173621194 962479503 /nfs/dbraw/zinc/47/95/03/962479503.db2.gz VDUIFQGNBIUALV-SNPRPXQTSA-N 1 2 365.426 1.893 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3C[C@@H](O)C3(C)C)cc12 ZINC001184359819 963542126 /nfs/dbraw/zinc/54/21/26/963542126.db2.gz LURKEFKTLTZXMN-IAGOWNOFSA-N 1 2 374.437 1.514 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3C[C@@H](O)C3(C)C)cc12 ZINC001184359819 963542135 /nfs/dbraw/zinc/54/21/35/963542135.db2.gz LURKEFKTLTZXMN-IAGOWNOFSA-N 1 2 374.437 1.514 20 10 FDCDLO Cn1c[nH+]c(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000852377627 967263957 /nfs/dbraw/zinc/26/39/57/967263957.db2.gz NFMWBBIAWXNQLA-UHFFFAOYSA-N 1 2 357.458 1.423 20 10 FDCDLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000776243941 975233639 /nfs/dbraw/zinc/23/36/39/975233639.db2.gz DCBZFPCIMBWLHI-QAPCUYQASA-N 1 2 364.490 1.148 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851990285 979249783 /nfs/dbraw/zinc/24/97/83/979249783.db2.gz TZBSCRVLVGOXAQ-OAHLLOKOSA-N 1 2 357.458 1.732 20 10 FDCDLO COc1ccc(N2CCCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000881802556 980159021 /nfs/dbraw/zinc/15/90/21/980159021.db2.gz CCNXTRPIZJRBFQ-UHFFFAOYSA-N 1 2 364.471 1.434 20 10 FDCDLO COc1ccc(N(C)CCN(C)S(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC000882321018 980558383 /nfs/dbraw/zinc/55/83/83/980558383.db2.gz RVSMJVXXGUEWQJ-UHFFFAOYSA-N 1 2 352.460 1.290 20 10 FDCDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000360448623 988039485 /nfs/dbraw/zinc/03/94/85/988039485.db2.gz NUUFQMXJNSQUJQ-QQOXCAACSA-N 1 2 359.470 1.597 20 10 FDCDLO COC(=O)[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C[NH2+]1 ZINC000365097313 990022890 /nfs/dbraw/zinc/02/28/90/990022890.db2.gz DLEKZGLIUFXSOK-WMLDXEAASA-N 1 2 359.401 1.867 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000371014793 990181207 /nfs/dbraw/zinc/18/12/07/990181207.db2.gz CCIDUWIWUJXCFO-OAHLLOKOSA-N 1 2 372.444 1.862 20 10 FDCDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000877694542 993447464 /nfs/dbraw/zinc/44/74/64/993447464.db2.gz CRTMZJGYEPRCAE-LJQANCHMSA-N 1 2 367.442 1.960 20 10 FDCDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000877694542 993447493 /nfs/dbraw/zinc/44/74/93/993447493.db2.gz CRTMZJGYEPRCAE-LJQANCHMSA-N 1 2 367.442 1.960 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000879462009 994928071 /nfs/dbraw/zinc/92/80/71/994928071.db2.gz KQKMRRSQJPVEMJ-CQSZACIVSA-N 1 2 354.472 1.261 20 10 FDCDLO CC(C)CC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000879760326 995256639 /nfs/dbraw/zinc/25/66/39/995256639.db2.gz YHIHRMNDCJURGC-UHFFFAOYSA-N 1 2 374.529 1.949 20 10 FDCDLO CC(C)CC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000879760326 995256644 /nfs/dbraw/zinc/25/66/44/995256644.db2.gz YHIHRMNDCJURGC-UHFFFAOYSA-N 1 2 374.529 1.949 20 10 FDCDLO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000927029218 996419779 /nfs/dbraw/zinc/41/97/79/996419779.db2.gz ZIQOLRXRSZLVAT-IONNQARKSA-N 1 2 370.240 1.350 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000270472865 674215190 /nfs/dbraw/zinc/21/51/90/674215190.db2.gz CFYYWKQATPQNAU-UHFFFAOYSA-N 1 2 351.790 1.422 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000054346599 523620035 /nfs/dbraw/zinc/62/00/35/523620035.db2.gz OGGBMUSNHXLQET-RBUKOAKNSA-N 1 2 359.470 1.597 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000054346599 523620047 /nfs/dbraw/zinc/62/00/47/523620047.db2.gz OGGBMUSNHXLQET-RBUKOAKNSA-N 1 2 359.470 1.597 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)c3ccoc3)CC2)cc1 ZINC000285312213 537681962 /nfs/dbraw/zinc/68/19/62/537681962.db2.gz VWDNOJGMIWNTGD-UHFFFAOYSA-N 1 2 365.455 1.389 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000292352915 537729771 /nfs/dbraw/zinc/72/97/71/537729771.db2.gz VNSBIKDDFZTMBC-INIZCTEOSA-N 1 2 367.515 1.078 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000292352915 537729773 /nfs/dbraw/zinc/72/97/73/537729773.db2.gz VNSBIKDDFZTMBC-INIZCTEOSA-N 1 2 367.515 1.078 20 10 FDCDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285605875 537736113 /nfs/dbraw/zinc/73/61/13/537736113.db2.gz BYZXWMJTTJSFJX-UHFFFAOYSA-N 1 2 369.469 1.430 20 10 FDCDLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CCOCC1 ZINC000368019839 537973099 /nfs/dbraw/zinc/97/30/99/537973099.db2.gz KTLYCBGLAWAOTH-AWEZNQCLSA-N 1 2 374.890 1.672 20 10 FDCDLO O=S(=O)([C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)N1CCOCC1 ZINC000368019839 537973106 /nfs/dbraw/zinc/97/31/06/537973106.db2.gz KTLYCBGLAWAOTH-AWEZNQCLSA-N 1 2 374.890 1.672 20 10 FDCDLO C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000372616078 537989727 /nfs/dbraw/zinc/98/97/27/537989727.db2.gz DPTSSCVEYVZKKO-ZIAGYGMSSA-N 1 2 355.429 1.728 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000278258988 675113308 /nfs/dbraw/zinc/11/33/08/675113308.db2.gz QCYDGFQKJNNCCK-NSHDSACASA-N 1 2 366.443 1.918 20 10 FDCDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129092547 671783467 /nfs/dbraw/zinc/78/34/67/671783467.db2.gz RMVNMLWRRHCDFS-HNNXBMFYSA-N 1 2 350.482 1.924 20 10 FDCDLO COc1cc(Cl)cc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)c1O ZINC000375628859 678154398 /nfs/dbraw/zinc/15/43/98/678154398.db2.gz OOYIHNYGVARHTG-UHFFFAOYSA-N 1 2 355.866 1.650 20 10 FDCDLO COc1cc(Cl)cc(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)c1O ZINC000375628859 678154401 /nfs/dbraw/zinc/15/44/01/678154401.db2.gz OOYIHNYGVARHTG-UHFFFAOYSA-N 1 2 355.866 1.650 20 10 FDCDLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(O)c1O ZINC000274929921 771005055 /nfs/dbraw/zinc/00/50/55/771005055.db2.gz AMMQOILZRQBPKH-UHFFFAOYSA-N 1 2 372.421 1.739 20 10 FDCDLO CN1CC[NH+](CCOc2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000275126872 771354284 /nfs/dbraw/zinc/35/42/84/771354284.db2.gz NDQKAOVQBDYCAL-UHFFFAOYSA-N 1 2 371.437 1.976 20 10 FDCDLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1c(F)ccc(O)c1O ZINC000276598824 778334574 /nfs/dbraw/zinc/33/45/74/778334574.db2.gz OAMOSTWNVHRUND-UHFFFAOYSA-N 1 2 360.385 1.999 20 10 FDCDLO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891745424 779244083 /nfs/dbraw/zinc/24/40/83/779244083.db2.gz APNDRIOQUSQMDT-UHFFFAOYSA-N 1 2 354.882 1.871 20 10 FDCDLO CN1CC[NH+](C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891745424 779244095 /nfs/dbraw/zinc/24/40/95/779244095.db2.gz APNDRIOQUSQMDT-UHFFFAOYSA-N 1 2 354.882 1.871 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000272344997 814663077 /nfs/dbraw/zinc/66/30/77/814663077.db2.gz ACLFICRKKGLYNY-DUXPYHPUSA-N 1 2 358.398 1.278 20 10 FDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088045 820180687 /nfs/dbraw/zinc/18/06/87/820180687.db2.gz GTAXAGRONZCXJW-KOLCDFICSA-N 1 2 362.195 1.650 20 10 FDCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088045 820180695 /nfs/dbraw/zinc/18/06/95/820180695.db2.gz GTAXAGRONZCXJW-KOLCDFICSA-N 1 2 362.195 1.650 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168229560 834704452 /nfs/dbraw/zinc/70/44/52/834704452.db2.gz UWODIJUDXFWEIH-WBVHZDCISA-N 1 2 357.406 1.948 20 10 FDCDLO C[N@@H+]1CCO[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925293437 836131392 /nfs/dbraw/zinc/13/13/92/836131392.db2.gz LKOJYJZJPHALDM-CYBMUJFWSA-N 1 2 353.806 1.140 20 10 FDCDLO C[N@H+]1CCO[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925293437 836131396 /nfs/dbraw/zinc/13/13/96/836131396.db2.gz LKOJYJZJPHALDM-CYBMUJFWSA-N 1 2 353.806 1.140 20 10 FDCDLO C/C(=C\C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCOCC1 ZINC000912709895 860058425 /nfs/dbraw/zinc/05/84/25/860058425.db2.gz YCFBRVMSHJOTKG-SAPNQHFASA-N 1 2 373.497 1.542 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)c1O ZINC000761203379 864338157 /nfs/dbraw/zinc/33/81/57/864338157.db2.gz QWDRKJHTCVCZCI-UHFFFAOYSA-N 1 2 364.833 1.470 20 10 FDCDLO COC(=O)C[N@H+](CCN1CCOCC1)Cc1c(O)ccc2ccccc21 ZINC000173898882 866153465 /nfs/dbraw/zinc/15/34/65/866153465.db2.gz WNZAWJROFVMRGN-UHFFFAOYSA-N 1 2 358.438 1.853 20 10 FDCDLO COC(=O)C[N@@H+](CCN1CCOCC1)Cc1c(O)ccc2ccccc21 ZINC000173898882 866153470 /nfs/dbraw/zinc/15/34/70/866153470.db2.gz WNZAWJROFVMRGN-UHFFFAOYSA-N 1 2 358.438 1.853 20 10 FDCDLO Nc1ccc(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000262674843 883912486 /nfs/dbraw/zinc/91/24/86/883912486.db2.gz RFKRVUJQUCOSHK-HXUWFJFHSA-N 1 2 353.466 1.871 20 10 FDCDLO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2)C1 ZINC000806539746 939956726 /nfs/dbraw/zinc/95/67/26/939956726.db2.gz VZXYIWVYUKZNAW-OAHLLOKOSA-N 1 2 355.442 1.360 20 10 FDCDLO C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(N(C)C)cc1 ZINC000807679034 940454510 /nfs/dbraw/zinc/45/45/10/940454510.db2.gz MHWRNKMPPIJPBZ-MAUKXSAKSA-N 1 2 369.469 1.990 20 10 FDCDLO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000809763723 940896006 /nfs/dbraw/zinc/89/60/06/940896006.db2.gz QHIRNNKGVNYOAR-ZDUSSCGKSA-N 1 2 359.444 1.045 20 10 FDCDLO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000809763723 940896010 /nfs/dbraw/zinc/89/60/10/940896010.db2.gz QHIRNNKGVNYOAR-ZDUSSCGKSA-N 1 2 359.444 1.045 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000817849207 943012734 /nfs/dbraw/zinc/01/27/34/943012734.db2.gz IZVUYYBHEBWSDI-UHFFFAOYSA-N 1 2 358.442 1.613 20 10 FDCDLO O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000819168220 943458703 /nfs/dbraw/zinc/45/87/03/943458703.db2.gz NHIMCRIBDYYVEA-OAHLLOKOSA-N 1 2 352.394 1.830 20 10 FDCDLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000825437459 947244984 /nfs/dbraw/zinc/24/49/84/947244984.db2.gz GJQFWPSBVKGZHI-UHFFFAOYSA-N 1 2 359.401 1.789 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)OCC13CCC3)cc2=O ZINC000844422252 948048871 /nfs/dbraw/zinc/04/88/71/948048871.db2.gz LCGIKCFPKYTFRB-LBPRGKRZSA-N 1 2 360.414 1.755 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)OCC13CCC3)cc2=O ZINC000844422252 948048877 /nfs/dbraw/zinc/04/88/77/948048877.db2.gz LCGIKCFPKYTFRB-LBPRGKRZSA-N 1 2 360.414 1.755 20 10 FDCDLO COCCOCC[NH+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000844468897 948105695 /nfs/dbraw/zinc/10/56/95/948105695.db2.gz ZOKHKGCUWIHPGE-UHFFFAOYSA-N 1 2 354.422 1.515 20 10 FDCDLO COC(=O)[C@@H]1CN(C[N@H+](C)CCN(C)c2ccc(OC)cc2)C(=O)O1 ZINC000844725198 948332721 /nfs/dbraw/zinc/33/27/21/948332721.db2.gz HXNJAXLXEGWPHO-HNNXBMFYSA-N 1 2 351.403 1.015 20 10 FDCDLO COC(=O)[C@@H]1CN(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C(=O)O1 ZINC000844725198 948332728 /nfs/dbraw/zinc/33/27/28/948332728.db2.gz HXNJAXLXEGWPHO-HNNXBMFYSA-N 1 2 351.403 1.015 20 10 FDCDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148582521 952757304 /nfs/dbraw/zinc/75/73/04/952757304.db2.gz JPFHQOMDIXDGJB-UHFFFAOYSA-N 1 2 360.414 1.565 20 10 FDCDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148582521 952757306 /nfs/dbraw/zinc/75/73/06/952757306.db2.gz JPFHQOMDIXDGJB-UHFFFAOYSA-N 1 2 360.414 1.565 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172731960 961756337 /nfs/dbraw/zinc/75/63/37/961756337.db2.gz NLRYFGPQYWUZKZ-ZDUSSCGKSA-N 1 2 352.387 1.002 20 10 FDCDLO COC[C@@H](NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O)C1CC1 ZINC001184360354 963541866 /nfs/dbraw/zinc/54/18/66/963541866.db2.gz NUMLOGURQVBJJR-MRXNPFEDSA-N 1 2 374.437 1.780 20 10 FDCDLO COC[C@@H](NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O)C1CC1 ZINC001184360354 963541870 /nfs/dbraw/zinc/54/18/70/963541870.db2.gz NUMLOGURQVBJJR-MRXNPFEDSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@@H]3CC(C)(C)O3)cc12 ZINC001184362159 963543822 /nfs/dbraw/zinc/54/38/22/963543822.db2.gz NGOAMXHALHBZNC-AWEZNQCLSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@@H]3CC(C)(C)O3)cc12 ZINC001184362159 963543834 /nfs/dbraw/zinc/54/38/34/963543834.db2.gz NGOAMXHALHBZNC-AWEZNQCLSA-N 1 2 374.437 1.923 20 10 FDCDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(O)c(O)c1Cl ZINC001193219460 969547256 /nfs/dbraw/zinc/54/72/56/969547256.db2.gz IEPZTWZRPSHEHQ-UHFFFAOYSA-N 1 2 366.805 1.532 20 10 FDCDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634319 970658447 /nfs/dbraw/zinc/65/84/47/970658447.db2.gz REHGWXACQBBFKA-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634319 970658458 /nfs/dbraw/zinc/65/84/58/970658458.db2.gz REHGWXACQBBFKA-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO COc1ccc(N2CC[C@H](CNS(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000882277123 980533536 /nfs/dbraw/zinc/53/35/36/980533536.db2.gz WXHGCLAZESTWRJ-OAHLLOKOSA-N 1 2 364.471 1.338 20 10 FDCDLO C[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(N2CCOCC2)c(F)c1 ZINC000886702840 986486262 /nfs/dbraw/zinc/48/62/62/986486262.db2.gz DVJSNYYYIWIIAD-GFCCVEGCSA-N 1 2 372.404 1.244 20 10 FDCDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000871543172 987113943 /nfs/dbraw/zinc/11/39/43/987113943.db2.gz NZUNJGLSALNAMI-UHFFFAOYSA-N 1 2 350.415 1.634 20 10 FDCDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000872754005 988037871 /nfs/dbraw/zinc/03/78/71/988037871.db2.gz TXHDCMVGEYKFFD-SWLSCSKDSA-N 1 2 360.332 1.461 20 10 FDCDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000872754005 988037888 /nfs/dbraw/zinc/03/78/88/988037888.db2.gz TXHDCMVGEYKFFD-SWLSCSKDSA-N 1 2 360.332 1.461 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366132590 988451585 /nfs/dbraw/zinc/45/15/85/988451585.db2.gz GIWISMKGXGEFPW-LJQANCHMSA-N 1 2 374.485 1.186 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366132590 988451595 /nfs/dbraw/zinc/45/15/95/988451595.db2.gz GIWISMKGXGEFPW-LJQANCHMSA-N 1 2 374.485 1.186 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnc(F)c3)CC2)cc1 ZINC000299697543 988690315 /nfs/dbraw/zinc/69/03/15/988690315.db2.gz PHISEOADYABIMY-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO CN1CCc2cc(CNC(=O)N(CC3CC3)C[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000364702079 989726035 /nfs/dbraw/zinc/72/60/35/989726035.db2.gz DEHNGLKYCQTVMU-LJQANCHMSA-N 1 2 372.513 1.931 20 10 FDCDLO CN1CCc2cc(CNC(=O)N(CC3CC3)C[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000364702079 989726040 /nfs/dbraw/zinc/72/60/40/989726040.db2.gz DEHNGLKYCQTVMU-LJQANCHMSA-N 1 2 372.513 1.931 20 10 FDCDLO C[C@H](O)CNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000298287057 990013311 /nfs/dbraw/zinc/01/33/11/990013311.db2.gz PYRHAFHGQPDFJU-HNNXBMFYSA-N 1 2 357.458 1.742 20 10 FDCDLO C[C@H](O)CNc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH+]cn1 ZINC000298287057 990013324 /nfs/dbraw/zinc/01/33/24/990013324.db2.gz PYRHAFHGQPDFJU-HNNXBMFYSA-N 1 2 357.458 1.742 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+](CCCO)Cc2ccccn2)cc1 ZINC000298641642 990211618 /nfs/dbraw/zinc/21/16/18/990211618.db2.gz WUYAPYCEAYTZQU-UHFFFAOYSA-N 1 2 356.470 1.648 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000298641642 990211624 /nfs/dbraw/zinc/21/16/24/990211624.db2.gz WUYAPYCEAYTZQU-UHFFFAOYSA-N 1 2 356.470 1.648 20 10 FDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCc2ncnn21 ZINC000878242473 993824307 /nfs/dbraw/zinc/82/43/07/993824307.db2.gz KITMRRPGCAEKJM-ZDUSSCGKSA-N 1 2 350.806 1.800 20 10 FDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCc2ncnn21 ZINC000878242473 993824316 /nfs/dbraw/zinc/82/43/16/993824316.db2.gz KITMRRPGCAEKJM-ZDUSSCGKSA-N 1 2 350.806 1.800 20 10 FDCDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)C1 ZINC000879484080 994949943 /nfs/dbraw/zinc/94/99/43/994949943.db2.gz RWKZVEIJMMFGJY-KRWDZBQOSA-N 1 2 350.346 1.628 20 10 FDCDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)C1 ZINC000879484080 994949946 /nfs/dbraw/zinc/94/99/46/994949946.db2.gz RWKZVEIJMMFGJY-KRWDZBQOSA-N 1 2 350.346 1.628 20 10 FDCDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000284154809 999778291 /nfs/dbraw/zinc/77/82/91/999778291.db2.gz QNSHQLAGGORRAA-FOPBSNOLSA-N 1 2 371.481 1.468 20 10 FDCDLO C[N@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000284154809 999778292 /nfs/dbraw/zinc/77/82/92/999778292.db2.gz QNSHQLAGGORRAA-FOPBSNOLSA-N 1 2 371.481 1.468 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3Cc4c[nH]nc4[C@H](C)C3)CC2)cc1 ZINC000931454796 1004175633 /nfs/dbraw/zinc/17/56/33/1004175633.db2.gz UQFXJNPIWDJMND-OAHLLOKOSA-N 1 2 369.469 1.686 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3Cc4c[nH]nc4[C@H](C)C3)CC2)cc1 ZINC000931454796 1004175636 /nfs/dbraw/zinc/17/56/36/1004175636.db2.gz UQFXJNPIWDJMND-OAHLLOKOSA-N 1 2 369.469 1.686 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932943833 1005261392 /nfs/dbraw/zinc/26/13/92/1005261392.db2.gz PGWRNJCJFQDRCI-MOPGFXCFSA-N 1 2 361.486 1.557 20 10 FDCDLO CCC[N@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000069009885 521782387 /nfs/dbraw/zinc/78/23/87/521782387.db2.gz WLEAIVXAVOQCLG-MRXNPFEDSA-N 1 2 368.499 1.640 20 10 FDCDLO CCC[N@@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000069009885 521782394 /nfs/dbraw/zinc/78/23/94/521782394.db2.gz WLEAIVXAVOQCLG-MRXNPFEDSA-N 1 2 368.499 1.640 20 10 FDCDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000092842968 524924652 /nfs/dbraw/zinc/92/46/52/524924652.db2.gz SERFQYNRSWUMQT-ZDUSSCGKSA-N 1 2 360.863 1.762 20 10 FDCDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000092842968 524924660 /nfs/dbraw/zinc/92/46/60/524924660.db2.gz SERFQYNRSWUMQT-ZDUSSCGKSA-N 1 2 360.863 1.762 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000178592588 525451052 /nfs/dbraw/zinc/45/10/52/525451052.db2.gz SSLOUCHYFMVTGD-UHFFFAOYSA-N 1 2 361.486 1.592 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000178592588 525451060 /nfs/dbraw/zinc/45/10/60/525451060.db2.gz SSLOUCHYFMVTGD-UHFFFAOYSA-N 1 2 361.486 1.592 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000283937928 537393931 /nfs/dbraw/zinc/39/39/31/537393931.db2.gz NNVAOYDKEAOZEE-OAHLLOKOSA-N 1 2 357.458 1.550 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000367987535 537971865 /nfs/dbraw/zinc/97/18/65/537971865.db2.gz FQUKRATXLDPQPF-UHFFFAOYSA-N 1 2 358.446 1.072 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1OC ZINC000286515634 675896551 /nfs/dbraw/zinc/89/65/51/675896551.db2.gz ZFTQOVQDSVEZHM-QWHCGFSZSA-N 1 2 351.403 1.911 20 10 FDCDLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccccc3O)c[nH+]2)CC1 ZINC000119692373 671678361 /nfs/dbraw/zinc/67/83/61/671678361.db2.gz FIOXKGVPAKADFU-UHFFFAOYSA-N 1 2 362.455 1.481 20 10 FDCDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129092309 671783436 /nfs/dbraw/zinc/78/34/36/671783436.db2.gz RMVNMLWRRHCDFS-OAHLLOKOSA-N 1 2 350.482 1.924 20 10 FDCDLO COC1CCN(c2ccc(C[NH+]3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000296674591 676419908 /nfs/dbraw/zinc/41/99/08/676419908.db2.gz ZUMGMLCZNRLTKE-UHFFFAOYSA-N 1 2 367.515 1.379 20 10 FDCDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762779 771648179 /nfs/dbraw/zinc/64/81/79/771648179.db2.gz IMDVCHVXSHCEJW-ZDUSSCGKSA-N 1 2 354.834 1.937 20 10 FDCDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762779 771648185 /nfs/dbraw/zinc/64/81/85/771648185.db2.gz IMDVCHVXSHCEJW-ZDUSSCGKSA-N 1 2 354.834 1.937 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000728940832 772002430 /nfs/dbraw/zinc/00/24/30/772002430.db2.gz IHWGOLWCSYEOHQ-CYBMUJFWSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)O[C@@H](C)[C@H]3C)CC2)cc1 ZINC000782624285 785475792 /nfs/dbraw/zinc/47/57/92/785475792.db2.gz UJUONQGLZUHSPR-BBWFWOEESA-N 1 2 361.486 1.842 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)O[C@@H](C)[C@H]3C)CC2)cc1 ZINC000782624285 785475800 /nfs/dbraw/zinc/47/58/00/785475800.db2.gz UJUONQGLZUHSPR-BBWFWOEESA-N 1 2 361.486 1.842 20 10 FDCDLO COCC(COC)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000840954428 828119373 /nfs/dbraw/zinc/11/93/73/828119373.db2.gz JJMRAQUXBNJBMQ-UHFFFAOYSA-N 1 2 369.418 1.088 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOC(C)(C)[C@H]3C)CC2)cc1 ZINC000763415252 881939334 /nfs/dbraw/zinc/93/93/34/881939334.db2.gz HDYKYZJMXNWBIG-MRXNPFEDSA-N 1 2 361.486 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOC(C)(C)[C@H]3C)CC2)cc1 ZINC000763415252 881939337 /nfs/dbraw/zinc/93/93/37/881939337.db2.gz HDYKYZJMXNWBIG-MRXNPFEDSA-N 1 2 361.486 1.843 20 10 FDCDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000123277366 898648637 /nfs/dbraw/zinc/64/86/37/898648637.db2.gz UAADKDMLQKIWIT-HXUWFJFHSA-N 1 2 374.485 1.879 20 10 FDCDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000123277366 898648649 /nfs/dbraw/zinc/64/86/49/898648649.db2.gz UAADKDMLQKIWIT-HXUWFJFHSA-N 1 2 374.485 1.879 20 10 FDCDLO CCCn1cc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000766410165 928002304 /nfs/dbraw/zinc/00/23/04/928002304.db2.gz NSOKIUZOHVCGCY-UHFFFAOYSA-N 1 2 372.473 1.249 20 10 FDCDLO COc1ccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)cc1F ZINC000767414492 929255812 /nfs/dbraw/zinc/25/58/12/929255812.db2.gz ISJSUHXODWIGDS-UHFFFAOYSA-N 1 2 356.463 1.781 20 10 FDCDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000785984499 931696194 /nfs/dbraw/zinc/69/61/94/931696194.db2.gz HCPIVSQSLMGZON-CQSZACIVSA-N 1 2 368.459 1.448 20 10 FDCDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000785984499 931696197 /nfs/dbraw/zinc/69/61/97/931696197.db2.gz HCPIVSQSLMGZON-CQSZACIVSA-N 1 2 368.459 1.448 20 10 FDCDLO Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c(O)c1O ZINC000790156435 933391755 /nfs/dbraw/zinc/39/17/55/933391755.db2.gz DCOAQRLBXVRNEK-UHFFFAOYSA-N 1 2 355.394 1.502 20 10 FDCDLO Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c(O)c1O ZINC000790156435 933391761 /nfs/dbraw/zinc/39/17/61/933391761.db2.gz DCOAQRLBXVRNEK-UHFFFAOYSA-N 1 2 355.394 1.502 20 10 FDCDLO CN1CCCc2cc(CNC(=O)C(=O)NCCCCn3cc[nH+]c3)ccc21 ZINC000793737354 934258498 /nfs/dbraw/zinc/25/84/98/934258498.db2.gz HLZOPHDTDZEFOU-UHFFFAOYSA-N 1 2 369.469 1.478 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OCC34CCC4)CC2)cc1 ZINC000844423646 948049844 /nfs/dbraw/zinc/04/98/44/948049844.db2.gz VJJQPDSFNAZZFD-QGZVFWFLSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)OCC34CCC4)CC2)cc1 ZINC000844423646 948049850 /nfs/dbraw/zinc/04/98/50/948049850.db2.gz VJJQPDSFNAZZFD-QGZVFWFLSA-N 1 2 373.497 1.987 20 10 FDCDLO O=S(=O)(c1ccccc1)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509550 949786784 /nfs/dbraw/zinc/78/67/84/949786784.db2.gz YMISDYJPDHBEBA-UHFFFAOYSA-N 1 2 364.423 1.310 20 10 FDCDLO COc1cc(C)c(C[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c(O)c1 ZINC001182978859 962741250 /nfs/dbraw/zinc/74/12/50/962741250.db2.gz PLMUUZUSQFTPDA-UHFFFAOYSA-N 1 2 368.480 1.976 20 10 FDCDLO COc1cc(C)c(C[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c(O)c1 ZINC001182978859 962741257 /nfs/dbraw/zinc/74/12/57/962741257.db2.gz PLMUUZUSQFTPDA-UHFFFAOYSA-N 1 2 368.480 1.976 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC[C@@](C)(O)C3)cc12 ZINC001184356940 963540262 /nfs/dbraw/zinc/54/02/62/963540262.db2.gz QDVITHXCFVGDPP-LJQANCHMSA-N 1 2 360.410 1.222 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC[C@@](C)(O)C3)cc12 ZINC001184356940 963540264 /nfs/dbraw/zinc/54/02/64/963540264.db2.gz QDVITHXCFVGDPP-LJQANCHMSA-N 1 2 360.410 1.222 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC(OC(C)C)C3)cc12 ZINC001184362225 963543186 /nfs/dbraw/zinc/54/31/86/963543186.db2.gz XVIXQGSAOUTLSN-UHFFFAOYSA-N 1 2 374.437 1.875 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC(OC(C)C)C3)cc12 ZINC001184362225 963543195 /nfs/dbraw/zinc/54/31/95/963543195.db2.gz XVIXQGSAOUTLSN-UHFFFAOYSA-N 1 2 374.437 1.875 20 10 FDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953608 974588011 /nfs/dbraw/zinc/58/80/11/974588011.db2.gz SXPALOAWKQQFBI-OWOJBTEDSA-N 1 2 373.497 1.400 20 10 FDCDLO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000866457381 975673486 /nfs/dbraw/zinc/67/34/86/975673486.db2.gz NBINJPMCIWCPRO-MRVPVSSYSA-N 1 2 369.256 1.884 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccncc3F)CC2)cc1 ZINC000265922452 976030137 /nfs/dbraw/zinc/03/01/37/976030137.db2.gz VBHIWYAZFUKHRU-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000847858254 976098100 /nfs/dbraw/zinc/09/81/00/976098100.db2.gz LJYCQTUARIFMQI-OAHLLOKOSA-N 1 2 369.469 1.573 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)cc2)CC1 ZINC000847858254 976098119 /nfs/dbraw/zinc/09/81/19/976098119.db2.gz LJYCQTUARIFMQI-OAHLLOKOSA-N 1 2 369.469 1.573 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851988234 979247977 /nfs/dbraw/zinc/24/79/77/979247977.db2.gz WEBMMVAKDJQREK-IBGZPJMESA-N 1 2 358.486 1.903 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)C3CCC3)CC2)cc1 ZINC000881885740 980254745 /nfs/dbraw/zinc/25/47/45/980254745.db2.gz PWWLRGCIOUKBRS-UHFFFAOYSA-N 1 2 353.488 1.289 20 10 FDCDLO Oc1c(F)cc(Br)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000883102459 981946586 /nfs/dbraw/zinc/94/65/86/981946586.db2.gz PYYFEVCWRZNCNJ-UHFFFAOYSA-N 1 2 357.183 1.705 20 10 FDCDLO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883102348 981946720 /nfs/dbraw/zinc/94/67/20/981946720.db2.gz NJNSNENTCHLVJY-LBPRGKRZSA-N 1 2 366.227 1.797 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)c(OC)c1 ZINC000870165139 985759857 /nfs/dbraw/zinc/75/98/57/985759857.db2.gz PEYCIAPMOITBBM-HNNXBMFYSA-N 1 2 370.453 1.812 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877519338 993317826 /nfs/dbraw/zinc/31/78/26/993317826.db2.gz QTBCNPYRGZOTAH-UHFFFAOYSA-N 1 2 355.456 1.643 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000283468799 999754576 /nfs/dbraw/zinc/75/45/76/999754576.db2.gz LLOIYYWOFJKEGX-UHFFFAOYSA-N 1 2 355.442 1.429 20 10 FDCDLO COc1ccc(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1F ZINC000777670807 1001332643 /nfs/dbraw/zinc/33/26/43/1001332643.db2.gz OCWSELBPEUWSNA-CQSZACIVSA-N 1 2 373.432 1.877 20 10 FDCDLO O=S(=O)(CCC[NH+]1CCOCC1)NCCCSc1nccs1 ZINC000779428807 1009182997 /nfs/dbraw/zinc/18/29/97/1009182997.db2.gz BVQCGBJVVLQXIJ-UHFFFAOYSA-N 1 2 365.546 1.267 20 10 FDCDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000119777862 781958739 /nfs/dbraw/zinc/95/87/39/781958739.db2.gz XXDLFFKNFOUOAG-CQSZACIVSA-N 1 2 371.489 1.549 20 10 FDCDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000119777862 781958746 /nfs/dbraw/zinc/95/87/46/781958746.db2.gz XXDLFFKNFOUOAG-CQSZACIVSA-N 1 2 371.489 1.549 20 10 FDCDLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000057423176 522086932 /nfs/dbraw/zinc/08/69/32/522086932.db2.gz OUORHSXOEHZWQH-UHFFFAOYSA-N 1 2 371.485 1.981 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045845400 522174039 /nfs/dbraw/zinc/17/40/39/522174039.db2.gz GPUTWHBKKAPROH-UHFFFAOYSA-N 1 2 356.426 1.965 20 10 FDCDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866068 524333973 /nfs/dbraw/zinc/33/39/73/524333973.db2.gz OPDOULBCBWOORD-OAHLLOKOSA-N 1 2 367.465 1.888 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)cc1F ZINC000122007074 524429523 /nfs/dbraw/zinc/42/95/23/524429523.db2.gz ODMZJUNXRHWPJE-LBPRGKRZSA-N 1 2 364.421 1.333 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000152302351 524839545 /nfs/dbraw/zinc/83/95/45/524839545.db2.gz UBHPJEAIIAKTTE-OALUTQOASA-N 1 2 361.486 1.591 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000152302351 524839550 /nfs/dbraw/zinc/83/95/50/524839550.db2.gz UBHPJEAIIAKTTE-OALUTQOASA-N 1 2 361.486 1.591 20 10 FDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000101591731 525238261 /nfs/dbraw/zinc/23/82/61/525238261.db2.gz YOKGDXGSOGWWPF-GOSISDBHSA-N 1 2 357.410 1.809 20 10 FDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000101591731 525238267 /nfs/dbraw/zinc/23/82/67/525238267.db2.gz YOKGDXGSOGWWPF-GOSISDBHSA-N 1 2 357.410 1.809 20 10 FDCDLO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1cccnc1 ZINC000132412051 525964141 /nfs/dbraw/zinc/96/41/41/525964141.db2.gz JJGWFDATMOXUMP-UHFFFAOYSA-N 1 2 372.444 1.806 20 10 FDCDLO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1cccnc1 ZINC000132412051 525964151 /nfs/dbraw/zinc/96/41/51/525964151.db2.gz JJGWFDATMOXUMP-UHFFFAOYSA-N 1 2 372.444 1.806 20 10 FDCDLO COc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000183487208 535990993 /nfs/dbraw/zinc/99/09/93/535990993.db2.gz WPALSOPBNPYCMC-UHFFFAOYSA-N 1 2 362.451 1.907 20 10 FDCDLO COc1cccc(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1O ZINC000266681346 536918812 /nfs/dbraw/zinc/91/88/12/536918812.db2.gz QXDCORPANZUTNR-UHFFFAOYSA-N 1 2 372.425 1.632 20 10 FDCDLO COc1ccc(N2CCCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)cc1 ZINC000188736327 536938991 /nfs/dbraw/zinc/93/89/91/536938991.db2.gz YTZIDIMUWOFMGY-UHFFFAOYSA-N 1 2 355.442 1.417 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNc3nc[nH+]c(N)c3Cl)cc2)CC1 ZINC000192359741 537223512 /nfs/dbraw/zinc/22/35/12/537223512.db2.gz XPOWOYVTJIHVRN-UHFFFAOYSA-N 1 2 360.849 1.993 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNc3[nH+]cnc(N)c3Cl)cc2)CC1 ZINC000192359741 537223513 /nfs/dbraw/zinc/22/35/13/537223513.db2.gz XPOWOYVTJIHVRN-UHFFFAOYSA-N 1 2 360.849 1.993 20 10 FDCDLO CCCOc1ccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000290314950 537321810 /nfs/dbraw/zinc/32/18/10/537321810.db2.gz CKMCQTWKXNMJQO-OAHLLOKOSA-N 1 2 357.472 1.817 20 10 FDCDLO CCCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000290314950 537321818 /nfs/dbraw/zinc/32/18/18/537321818.db2.gz CKMCQTWKXNMJQO-OAHLLOKOSA-N 1 2 357.472 1.817 20 10 FDCDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283888286 537389981 /nfs/dbraw/zinc/38/99/81/537389981.db2.gz FVBWTVOPNPAOLZ-UHFFFAOYSA-N 1 2 355.442 1.295 20 10 FDCDLO COCCCS(=O)(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271347231 537426359 /nfs/dbraw/zinc/42/63/59/537426359.db2.gz PFWDXLCUERIJGG-UHFFFAOYSA-N 1 2 362.879 1.530 20 10 FDCDLO O=C(NCc1ccccc1O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299480570 537589987 /nfs/dbraw/zinc/58/99/87/537589987.db2.gz GUBBYJRZWCGDHD-UHFFFAOYSA-N 1 2 369.421 1.479 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000285588570 537734010 /nfs/dbraw/zinc/73/40/10/537734010.db2.gz ANYKQRHHSWTYLW-CQSZACIVSA-N 1 2 373.432 1.637 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(c3nc(C)ns3)CC2)ccc1[N+](=O)[O-] ZINC000278225493 675107577 /nfs/dbraw/zinc/10/75/77/675107577.db2.gz MBHDYLJQHAXRMR-UHFFFAOYSA-N 1 2 365.415 1.791 20 10 FDCDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093057096 671520033 /nfs/dbraw/zinc/52/00/33/671520033.db2.gz BEYIPCUNYBBTDP-CQSZACIVSA-N 1 2 369.893 1.704 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000279012703 675231807 /nfs/dbraw/zinc/23/18/07/675231807.db2.gz FRRQIPPMRXUQEL-INIZCTEOSA-N 1 2 351.790 1.422 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000279012703 675231809 /nfs/dbraw/zinc/23/18/09/675231809.db2.gz FRRQIPPMRXUQEL-INIZCTEOSA-N 1 2 351.790 1.422 20 10 FDCDLO Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(O)c1O ZINC000371180581 677652088 /nfs/dbraw/zinc/65/20/88/677652088.db2.gz LMHUZRIUVAVWNB-KRWDZBQOSA-N 1 2 352.456 1.344 20 10 FDCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000274790237 770205656 /nfs/dbraw/zinc/20/56/56/770205656.db2.gz MXAVZINCIUACPS-CYBMUJFWSA-N 1 2 366.414 1.846 20 10 FDCDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000274790237 770205661 /nfs/dbraw/zinc/20/56/61/770205661.db2.gz MXAVZINCIUACPS-CYBMUJFWSA-N 1 2 366.414 1.846 20 10 FDCDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000123277549 795687019 /nfs/dbraw/zinc/68/70/19/795687019.db2.gz UAADKDMLQKIWIT-FQEVSTJZSA-N 1 2 374.485 1.879 20 10 FDCDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000123277549 795687023 /nfs/dbraw/zinc/68/70/23/795687023.db2.gz UAADKDMLQKIWIT-FQEVSTJZSA-N 1 2 374.485 1.879 20 10 FDCDLO COC(=O)c1c(C[N@@H+]2CCCN(C(N)=O)CC2)c2cc(F)ccc2n1C ZINC000893987545 809851276 /nfs/dbraw/zinc/85/12/76/809851276.db2.gz UADCMXQWCRPUQY-UHFFFAOYSA-N 1 2 362.405 1.690 20 10 FDCDLO COC(=O)c1c(C[N@H+]2CCCN(C(N)=O)CC2)c2cc(F)ccc2n1C ZINC000893987545 809851290 /nfs/dbraw/zinc/85/12/90/809851290.db2.gz UADCMXQWCRPUQY-UHFFFAOYSA-N 1 2 362.405 1.690 20 10 FDCDLO CCn1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000843776118 820458523 /nfs/dbraw/zinc/45/85/23/820458523.db2.gz KNGLVNCKCABDDD-UHFFFAOYSA-N 1 2 357.458 1.464 20 10 FDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000729600576 832285768 /nfs/dbraw/zinc/28/57/68/832285768.db2.gz STHPXIHSERMQLH-MRXNPFEDSA-N 1 2 362.474 1.043 20 10 FDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000729600576 832285776 /nfs/dbraw/zinc/28/57/76/832285776.db2.gz STHPXIHSERMQLH-MRXNPFEDSA-N 1 2 362.474 1.043 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000917062948 882891294 /nfs/dbraw/zinc/89/12/94/882891294.db2.gz YXHDORRAHJOHOC-UXHICEINSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000917062948 882891311 /nfs/dbraw/zinc/89/13/11/882891311.db2.gz YXHDORRAHJOHOC-UXHICEINSA-N 1 2 373.497 1.987 20 10 FDCDLO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000922825712 879387609 /nfs/dbraw/zinc/38/76/09/879387609.db2.gz PLZWLDDLMOPYGY-SECBINFHSA-N 1 2 372.668 1.303 20 10 FDCDLO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1[NH3+] ZINC001236347646 888167824 /nfs/dbraw/zinc/16/78/24/888167824.db2.gz LEVWPHXFSXALDR-KOLCDFICSA-N 1 2 363.639 1.740 20 10 FDCDLO COc1cc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000764036977 902999749 /nfs/dbraw/zinc/99/97/49/902999749.db2.gz UUJOPRGGQOFBGZ-UHFFFAOYSA-N 1 2 360.414 1.244 20 10 FDCDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769983917 929784624 /nfs/dbraw/zinc/78/46/24/929784624.db2.gz BSTXANALHUIIMU-CYBMUJFWSA-N 1 2 360.437 1.910 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000788645988 932755268 /nfs/dbraw/zinc/75/52/68/932755268.db2.gz IREATMRPSBKKGY-UHFFFAOYSA-N 1 2 369.469 1.691 20 10 FDCDLO O=C(CNC(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675145 947449875 /nfs/dbraw/zinc/44/98/75/947449875.db2.gz HLQBAAUQYBTUQO-APWZRJJASA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(CNC(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675145 947449885 /nfs/dbraw/zinc/44/98/85/947449885.db2.gz HLQBAAUQYBTUQO-APWZRJJASA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000844453363 948073256 /nfs/dbraw/zinc/07/32/56/948073256.db2.gz QEVYIOCDGAMVLO-OKILXGFUSA-N 1 2 369.387 1.475 20 10 FDCDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000844453363 948073268 /nfs/dbraw/zinc/07/32/68/948073268.db2.gz QEVYIOCDGAMVLO-OKILXGFUSA-N 1 2 369.387 1.475 20 10 FDCDLO COCCOCC[NH+]1CCN(Cc2cccc(Br)c2O)CC1 ZINC000846116086 950514887 /nfs/dbraw/zinc/51/48/87/950514887.db2.gz FDVWDVVCDOGYFD-UHFFFAOYSA-N 1 2 373.291 1.935 20 10 FDCDLO COc1ccc(-n2nnnc2C[N@H+]2C[C@@H](CNC(=O)C3CC3)[C@H](C)C2)cc1 ZINC001092418132 955152536 /nfs/dbraw/zinc/15/25/36/955152536.db2.gz SFDPOBWPJOSCMQ-UKRRQHHQSA-N 1 2 370.457 1.265 20 10 FDCDLO COc1ccc(-n2nnnc2C[N@@H+]2C[C@@H](CNC(=O)C3CC3)[C@H](C)C2)cc1 ZINC001092418132 955152542 /nfs/dbraw/zinc/15/25/42/955152542.db2.gz SFDPOBWPJOSCMQ-UKRRQHHQSA-N 1 2 370.457 1.265 20 10 FDCDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCS1(=O)=O ZINC000715828991 958482633 /nfs/dbraw/zinc/48/26/33/958482633.db2.gz QWJGXXPJCWFZKJ-RDDDGLTNSA-N 1 2 352.225 1.959 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCCc3cc[nH]n3)cc12 ZINC001184362020 963544101 /nfs/dbraw/zinc/54/41/01/963544101.db2.gz MFYOSKSTLZEHQX-UHFFFAOYSA-N 1 2 370.409 1.321 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCCc3cc[nH]n3)cc12 ZINC001184362020 963544107 /nfs/dbraw/zinc/54/41/07/963544107.db2.gz MFYOSKSTLZEHQX-UHFFFAOYSA-N 1 2 370.409 1.321 20 10 FDCDLO O=C1NC(=S)S/C1=C\c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000864362701 973518305 /nfs/dbraw/zinc/51/83/05/973518305.db2.gz JJKWCBDHLZHITE-KAMYIIQDSA-N 1 2 350.465 1.886 20 10 FDCDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)CS(N)(=O)=O ZINC000865813162 974513983 /nfs/dbraw/zinc/51/39/83/974513983.db2.gz HWQZUKGTNWFSLA-UHFFFAOYSA-N 1 2 351.266 1.559 20 10 FDCDLO OCCO[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000883167394 981993711 /nfs/dbraw/zinc/99/37/11/981993711.db2.gz XQALSNLKKIAIFC-CQSZACIVSA-N 1 2 364.211 1.551 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)c(OC)c1 ZINC000870165782 985761088 /nfs/dbraw/zinc/76/10/88/985761088.db2.gz NGLQYFXNTVWDRC-HZPDHXFCSA-N 1 2 370.453 1.890 20 10 FDCDLO CN(C)c1ccc(CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000297948230 989790768 /nfs/dbraw/zinc/79/07/68/989790768.db2.gz RRUZYYIBXCJWBU-UHFFFAOYSA-N 1 2 370.497 1.550 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000373565552 992294609 /nfs/dbraw/zinc/29/46/09/992294609.db2.gz CHKZPGBMEKAGAR-HNNXBMFYSA-N 1 2 358.417 1.738 20 10 FDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165684 993079950 /nfs/dbraw/zinc/07/99/50/993079950.db2.gz PSZFKENSDMFHDS-OALUTQOASA-N 1 2 362.470 1.800 20 10 FDCDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165684 993079957 /nfs/dbraw/zinc/07/99/57/993079957.db2.gz PSZFKENSDMFHDS-OALUTQOASA-N 1 2 362.470 1.800 20 10 FDCDLO CCOC(=O)[C@]1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877703939 993455564 /nfs/dbraw/zinc/45/55/64/993455564.db2.gz GSRHOFMEDPXYQO-FQEVSTJZSA-N 1 2 362.470 1.802 20 10 FDCDLO CCOC(=O)[C@]1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877703939 993455577 /nfs/dbraw/zinc/45/55/77/993455577.db2.gz GSRHOFMEDPXYQO-FQEVSTJZSA-N 1 2 362.470 1.802 20 10 FDCDLO c1cc(N2CCOCC2)ccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000265409201 997783134 /nfs/dbraw/zinc/78/31/34/997783134.db2.gz DIPDAQUMVWRTEX-UHFFFAOYSA-N 1 2 355.442 1.762 20 10 FDCDLO c1cc(N2CCOCC2)ccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000265409201 997783147 /nfs/dbraw/zinc/78/31/47/997783147.db2.gz DIPDAQUMVWRTEX-UHFFFAOYSA-N 1 2 355.442 1.762 20 10 FDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000101595232 525237795 /nfs/dbraw/zinc/23/77/95/525237795.db2.gz XCZIRMUTDDWNJC-UHFFFAOYSA-N 1 2 365.411 1.510 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108777112 526021783 /nfs/dbraw/zinc/02/17/83/526021783.db2.gz IEKVCAQAPKCISE-BBOMDTFKSA-N 1 2 359.470 1.373 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@]3(C)C(N)=O)CC2)cc1 ZINC000185933829 536221864 /nfs/dbraw/zinc/22/18/64/536221864.db2.gz BPBNKRYLVMOZDE-HXUWFJFHSA-N 1 2 374.485 1.074 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@]3(C)C(N)=O)CC2)cc1 ZINC000185933829 536221865 /nfs/dbraw/zinc/22/18/65/536221865.db2.gz BPBNKRYLVMOZDE-HXUWFJFHSA-N 1 2 374.485 1.074 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](c3ccn[nH]3)C1)cc2=O ZINC000193590638 537252015 /nfs/dbraw/zinc/25/20/15/537252015.db2.gz KVSGRLHOKHYDET-GFCCVEGCSA-N 1 2 370.413 1.714 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](c3ccn[nH]3)C1)cc2=O ZINC000193590638 537252016 /nfs/dbraw/zinc/25/20/16/537252016.db2.gz KVSGRLHOKHYDET-GFCCVEGCSA-N 1 2 370.413 1.714 20 10 FDCDLO COC(=O)Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000294591343 537707793 /nfs/dbraw/zinc/70/77/93/537707793.db2.gz SAGFRLQFZICPSG-MRXNPFEDSA-N 1 2 360.414 1.338 20 10 FDCDLO COC(=O)Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000294591343 537707795 /nfs/dbraw/zinc/70/77/95/537707795.db2.gz SAGFRLQFZICPSG-MRXNPFEDSA-N 1 2 360.414 1.338 20 10 FDCDLO COc1ccc(N2CCCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)cc1 ZINC000367312703 537957310 /nfs/dbraw/zinc/95/73/10/537957310.db2.gz QCBPCNCUBOLQPW-UHFFFAOYSA-N 1 2 361.486 1.845 20 10 FDCDLO CCN(C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1)S(C)(=O)=O ZINC000267102857 673250393 /nfs/dbraw/zinc/25/03/93/673250393.db2.gz YJGDNROMUMTPIQ-UHFFFAOYSA-N 1 2 372.462 1.980 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@@H]3CO)cc2F)C[C@@H](C)O1 ZINC000934025979 780625892 /nfs/dbraw/zinc/62/58/92/780625892.db2.gz IMYXLKUCWQCGND-IIAWOOMASA-N 1 2 365.449 1.122 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@@H]3CO)cc2F)C[C@@H](C)O1 ZINC000934025979 780625897 /nfs/dbraw/zinc/62/58/97/780625897.db2.gz IMYXLKUCWQCGND-IIAWOOMASA-N 1 2 365.449 1.122 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000377474137 791916834 /nfs/dbraw/zinc/91/68/34/791916834.db2.gz HWXYEPPZGKMLTF-UHFFFAOYSA-N 1 2 373.501 1.032 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000377474137 791916839 /nfs/dbraw/zinc/91/68/39/791916839.db2.gz HWXYEPPZGKMLTF-UHFFFAOYSA-N 1 2 373.501 1.032 20 10 FDCDLO COC(=O)/C(C)=C\C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759878826 795992190 /nfs/dbraw/zinc/99/21/90/795992190.db2.gz OBTHGTJNWMWBBC-NSIKDUERSA-N 1 2 364.442 1.954 20 10 FDCDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894469361 818099931 /nfs/dbraw/zinc/09/99/31/818099931.db2.gz MGGGNDGSLVVWRA-GFCCVEGCSA-N 1 2 352.341 1.886 20 10 FDCDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894469361 818099945 /nfs/dbraw/zinc/09/99/45/818099945.db2.gz MGGGNDGSLVVWRA-GFCCVEGCSA-N 1 2 352.341 1.886 20 10 FDCDLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]12 ZINC000894901900 819269291 /nfs/dbraw/zinc/26/92/91/819269291.db2.gz GPXOXRJDSYCMAR-DTORHVGOSA-N 1 2 359.607 1.513 20 10 FDCDLO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3O)C[C@H]12 ZINC000894901900 819269298 /nfs/dbraw/zinc/26/92/98/819269298.db2.gz GPXOXRJDSYCMAR-DTORHVGOSA-N 1 2 359.607 1.513 20 10 FDCDLO Nc1ccc(CCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000842038533 840859087 /nfs/dbraw/zinc/85/90/87/840859087.db2.gz IBBRBUUHHABMCV-UHFFFAOYSA-N 1 2 372.494 1.164 20 10 FDCDLO Nc1ccc(CCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000842038533 840859107 /nfs/dbraw/zinc/85/91/07/840859107.db2.gz IBBRBUUHHABMCV-UHFFFAOYSA-N 1 2 372.494 1.164 20 10 FDCDLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000920258522 886771236 /nfs/dbraw/zinc/77/12/36/886771236.db2.gz OXOUDOZGVIJKFN-UHFFFAOYSA-N 1 2 354.520 1.457 20 10 FDCDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C)n1 ZINC001082953775 911092135 /nfs/dbraw/zinc/09/21/35/911092135.db2.gz ZUJQGDAXFVNFKU-QMTHXVAHSA-N 1 2 371.401 1.791 20 10 FDCDLO CC[C@@H](C)CS(=O)(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000733315230 920952059 /nfs/dbraw/zinc/95/20/59/920952059.db2.gz FPHKRKSFGGAMRE-MRXNPFEDSA-N 1 2 369.531 1.783 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc(OC)nc3)CC2)cc1 ZINC000733954205 922709732 /nfs/dbraw/zinc/70/97/32/922709732.db2.gz VTXUEWSTNBKCJQ-UHFFFAOYSA-N 1 2 371.441 1.046 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCSc1nccs1 ZINC000789090826 932933325 /nfs/dbraw/zinc/93/33/25/932933325.db2.gz MXPGZZCXFVLQBS-ZDUSSCGKSA-N 1 2 358.533 1.987 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000807292448 940310490 /nfs/dbraw/zinc/31/04/90/940310490.db2.gz XSVPZNBPKQNOSZ-MRXNPFEDSA-N 1 2 365.437 1.007 20 10 FDCDLO C[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000807674294 940451746 /nfs/dbraw/zinc/45/17/46/940451746.db2.gz JRNYYGMWWSQFQK-DZGCQCFKSA-N 1 2 355.442 1.258 20 10 FDCDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000811925699 941173114 /nfs/dbraw/zinc/17/31/14/941173114.db2.gz ZORXWACPVMZPRL-HNNXBMFYSA-N 1 2 370.457 1.121 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000856212562 970986678 /nfs/dbraw/zinc/98/66/78/970986678.db2.gz PIAQQQODDFFHMJ-INIZCTEOSA-N 1 2 354.454 1.723 20 10 FDCDLO COCC[NH+]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000844167909 947810877 /nfs/dbraw/zinc/81/08/77/947810877.db2.gz VENGHXQRRGZGLA-UHFFFAOYSA-N 1 2 360.483 1.720 20 10 FDCDLO COC(=O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCC[C@H](OC)C1 ZINC000846109076 950510014 /nfs/dbraw/zinc/51/00/14/950510014.db2.gz RUZCSVKNDBLKGW-PLQHRBFRSA-N 1 2 351.399 1.957 20 10 FDCDLO COC[C@H](NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O)C1CC1 ZINC001184360353 963541569 /nfs/dbraw/zinc/54/15/69/963541569.db2.gz NUMLOGURQVBJJR-INIZCTEOSA-N 1 2 374.437 1.780 20 10 FDCDLO COC[C@H](NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O)C1CC1 ZINC001184360353 963541577 /nfs/dbraw/zinc/54/15/77/963541577.db2.gz NUMLOGURQVBJJR-INIZCTEOSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001186849262 964769897 /nfs/dbraw/zinc/76/98/97/964769897.db2.gz KWGRBTFPCLQWLX-OAHLLOKOSA-N 1 2 354.410 1.856 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001186849262 964769907 /nfs/dbraw/zinc/76/99/07/964769907.db2.gz KWGRBTFPCLQWLX-OAHLLOKOSA-N 1 2 354.410 1.856 20 10 FDCDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129633 965106406 /nfs/dbraw/zinc/10/64/06/965106406.db2.gz ABKODWUBAHWQSD-PYUISTEWSA-N 1 2 356.426 1.400 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000852266614 967172104 /nfs/dbraw/zinc/17/21/04/967172104.db2.gz RDTPYQMBXKCXBT-MRXNPFEDSA-N 1 2 369.469 1.658 20 10 FDCDLO COc1ccc(N2CCN(C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)c(OC)c1 ZINC000864417465 973547442 /nfs/dbraw/zinc/54/74/42/973547442.db2.gz ZWHGRWYLWBFESI-OAHLLOKOSA-N 1 2 373.457 1.821 20 10 FDCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](O)c2c[nH+]c[nH]2)cc1 ZINC000865058986 974046069 /nfs/dbraw/zinc/04/60/69/974046069.db2.gz BKQPKQJPAVHXDC-AEFFLSMTSA-N 1 2 358.442 1.717 20 10 FDCDLO C[C@H]([C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCOCC1 ZINC000105206665 974467482 /nfs/dbraw/zinc/46/74/82/974467482.db2.gz YCODHQORONLNBB-JKSUJKDBSA-N 1 2 360.502 1.977 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000847858253 976097980 /nfs/dbraw/zinc/09/79/80/976097980.db2.gz LJYCQTUARIFMQI-HNNXBMFYSA-N 1 2 369.469 1.573 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)cc2)CC1 ZINC000847858253 976097985 /nfs/dbraw/zinc/09/79/85/976097985.db2.gz LJYCQTUARIFMQI-HNNXBMFYSA-N 1 2 369.469 1.573 20 10 FDCDLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1O ZINC000868232885 977369832 /nfs/dbraw/zinc/36/98/32/977369832.db2.gz UCBKBBGRGHEPMC-CYBMUJFWSA-N 1 2 369.487 1.261 20 10 FDCDLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000881812823 980170765 /nfs/dbraw/zinc/17/07/65/980170765.db2.gz FPCSAZJMSXLBJB-OAHLLOKOSA-N 1 2 364.471 1.400 20 10 FDCDLO COc1ccc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c(O)c1 ZINC000882146952 980449900 /nfs/dbraw/zinc/44/99/00/980449900.db2.gz FTVOVAUBWRFSKY-UHFFFAOYSA-N 1 2 362.451 1.867 20 10 FDCDLO COc1ccc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c(O)c1 ZINC000882146952 980449905 /nfs/dbraw/zinc/44/99/05/980449905.db2.gz FTVOVAUBWRFSKY-UHFFFAOYSA-N 1 2 362.451 1.867 20 10 FDCDLO CN(C)C(=O)CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862212734 984251966 /nfs/dbraw/zinc/25/19/66/984251966.db2.gz KWLRNJXODXBSNP-UHFFFAOYSA-N 1 2 356.264 1.361 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744681 992935148 /nfs/dbraw/zinc/93/51/48/992935148.db2.gz SUOZQWKQSSXELC-LSDHHAIUSA-N 1 2 372.448 1.506 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCOCC1 ZINC000878727986 994170366 /nfs/dbraw/zinc/17/03/66/994170366.db2.gz HPPUKVONECGMMX-MRXNPFEDSA-N 1 2 367.442 1.050 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCOCC1 ZINC000878727986 994170373 /nfs/dbraw/zinc/17/03/73/994170373.db2.gz HPPUKVONECGMMX-MRXNPFEDSA-N 1 2 367.442 1.050 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933668880 1005603968 /nfs/dbraw/zinc/60/39/68/1005603968.db2.gz ZBAGAOYNJVYKTR-MJGOQNOKSA-N 1 2 361.486 1.496 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933668880 1005603970 /nfs/dbraw/zinc/60/39/70/1005603970.db2.gz ZBAGAOYNJVYKTR-MJGOQNOKSA-N 1 2 361.486 1.496 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000045376501 522082258 /nfs/dbraw/zinc/08/22/58/522082258.db2.gz UQHJSSJNFMOQMM-UHFFFAOYSA-N 1 2 356.426 1.965 20 10 FDCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000172876288 524286210 /nfs/dbraw/zinc/28/62/10/524286210.db2.gz AXHPBKDATBIBTK-INIZCTEOSA-N 1 2 367.515 1.268 20 10 FDCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000172876288 524286211 /nfs/dbraw/zinc/28/62/11/524286211.db2.gz AXHPBKDATBIBTK-INIZCTEOSA-N 1 2 367.515 1.268 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000158277899 524436257 /nfs/dbraw/zinc/43/62/57/524436257.db2.gz GLWIVZHGKZPZPA-IBGZPJMESA-N 1 2 369.469 1.746 20 10 FDCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCOCC1 ZINC000119971834 525922919 /nfs/dbraw/zinc/92/29/19/525922919.db2.gz JVMVPEKXJFLFTC-UHFFFAOYSA-N 1 2 353.850 1.022 20 10 FDCDLO COc1ccc(N2CCCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000171264884 525923271 /nfs/dbraw/zinc/92/32/71/525923271.db2.gz BXICEZSSOZJQMC-QGZVFWFLSA-N 1 2 360.502 1.370 20 10 FDCDLO C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000264655235 537147171 /nfs/dbraw/zinc/14/71/71/537147171.db2.gz RJMXZXPQDROEMP-BBOMDTFKSA-N 1 2 359.470 1.373 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000364399407 537392056 /nfs/dbraw/zinc/39/20/56/537392056.db2.gz IYLOHKFMSOCSEH-IBGZPJMESA-N 1 2 359.470 1.455 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000364399407 537392063 /nfs/dbraw/zinc/39/20/63/537392063.db2.gz IYLOHKFMSOCSEH-IBGZPJMESA-N 1 2 359.470 1.455 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000283971261 537400011 /nfs/dbraw/zinc/40/00/11/537400011.db2.gz OVJVLEFSNCOESX-OAHLLOKOSA-N 1 2 369.469 1.645 20 10 FDCDLO COc1cc(N2CC[NH+](CC(=O)N(C)C3CC3)CC2)cc(OC)c1OC ZINC000273639096 537477670 /nfs/dbraw/zinc/47/76/70/537477670.db2.gz UIRQPXFGSWAZRB-UHFFFAOYSA-N 1 2 363.458 1.455 20 10 FDCDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131496782 671804341 /nfs/dbraw/zinc/80/43/41/671804341.db2.gz WYWQONKWDDYPHE-CQSZACIVSA-N 1 2 369.893 1.704 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CC3CC3)CC2)cc1 ZINC000267197846 673268099 /nfs/dbraw/zinc/26/80/99/673268099.db2.gz MORJKRLZDIBPBK-UHFFFAOYSA-N 1 2 353.488 1.147 20 10 FDCDLO CN(C)c1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1F ZINC000373698045 678066461 /nfs/dbraw/zinc/06/64/61/678066461.db2.gz CPCOZQNUQMIZIP-UHFFFAOYSA-N 1 2 369.506 1.587 20 10 FDCDLO C[NH+]1CCN(c2ccc(CNc3[nH+]cccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001167426501 774584653 /nfs/dbraw/zinc/58/46/53/774584653.db2.gz GXGQNHRUIFMAJC-UHFFFAOYSA-N 1 2 366.513 1.855 20 10 FDCDLO CNc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)nc[nH+]1 ZINC000893172103 793677692 /nfs/dbraw/zinc/67/76/92/793677692.db2.gz CWVPVRVOXSIGKC-UHFFFAOYSA-N 1 2 359.430 1.871 20 10 FDCDLO CNc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)[nH+]cn1 ZINC000893172103 793677701 /nfs/dbraw/zinc/67/77/01/793677701.db2.gz CWVPVRVOXSIGKC-UHFFFAOYSA-N 1 2 359.430 1.871 20 10 FDCDLO NC(=O)C1CCN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000894597080 818237324 /nfs/dbraw/zinc/23/73/24/818237324.db2.gz UPBCNIDLKCMACX-UHFFFAOYSA-N 1 2 355.442 1.291 20 10 FDCDLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)C1CC1 ZINC000894785540 818448510 /nfs/dbraw/zinc/44/85/10/818448510.db2.gz VWJHHVWZIMBFKK-NSHDSACASA-N 1 2 360.426 1.964 20 10 FDCDLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)C1CC1 ZINC000894785540 818448515 /nfs/dbraw/zinc/44/85/15/818448515.db2.gz VWJHHVWZIMBFKK-NSHDSACASA-N 1 2 360.426 1.964 20 10 FDCDLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000897052980 826830985 /nfs/dbraw/zinc/83/09/85/826830985.db2.gz PHXRTRGPIIPPEO-MRVPVSSYSA-N 1 2 367.240 1.404 20 10 FDCDLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000897052980 826830993 /nfs/dbraw/zinc/83/09/93/826830993.db2.gz PHXRTRGPIIPPEO-MRVPVSSYSA-N 1 2 367.240 1.404 20 10 FDCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000529642840 829964401 /nfs/dbraw/zinc/96/44/01/829964401.db2.gz IHMWOSCBKROLKU-OAHLLOKOSA-N 1 2 365.474 1.828 20 10 FDCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000529642840 829964402 /nfs/dbraw/zinc/96/44/02/829964402.db2.gz IHMWOSCBKROLKU-OAHLLOKOSA-N 1 2 365.474 1.828 20 10 FDCDLO CN(C)c1ccc(C[N@H+](Cc2cn(Cc3ncon3)nn2)C2CC2)cc1 ZINC000906258527 852740654 /nfs/dbraw/zinc/74/06/54/852740654.db2.gz VMHWQZPSARRAGQ-UHFFFAOYSA-N 1 2 353.430 1.940 20 10 FDCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(Cc3ncon3)nn2)C2CC2)cc1 ZINC000906258527 852740659 /nfs/dbraw/zinc/74/06/59/852740659.db2.gz VMHWQZPSARRAGQ-UHFFFAOYSA-N 1 2 353.430 1.940 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000785433231 907327867 /nfs/dbraw/zinc/32/78/67/907327867.db2.gz KOCCXKLEWBYCGU-LJQANCHMSA-N 1 2 366.465 1.672 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000785433231 907327890 /nfs/dbraw/zinc/32/78/90/907327890.db2.gz KOCCXKLEWBYCGU-LJQANCHMSA-N 1 2 366.465 1.672 20 10 FDCDLO COc1ccc(-n2nnnc2C[N@@H+]2CC[C@@H]3CCN(C(C)=O)C[C@@H]32)cc1 ZINC001084876931 917918163 /nfs/dbraw/zinc/91/81/63/917918163.db2.gz GTQDSRMPDSRHAV-YOEHRIQHSA-N 1 2 356.430 1.114 20 10 FDCDLO COc1ccc(-n2nnnc2C[N@H+]2CC[C@@H]3CCN(C(C)=O)C[C@@H]32)cc1 ZINC001084876931 917918170 /nfs/dbraw/zinc/91/81/70/917918170.db2.gz GTQDSRMPDSRHAV-YOEHRIQHSA-N 1 2 356.430 1.114 20 10 FDCDLO C[C@@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000788639471 932769624 /nfs/dbraw/zinc/76/96/24/932769624.db2.gz OTVVPUFWVWEBAC-OAHLLOKOSA-N 1 2 369.469 1.943 20 10 FDCDLO C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000790897440 933775378 /nfs/dbraw/zinc/77/53/78/933775378.db2.gz WVHDBOYAEITOAA-LBPRGKRZSA-N 1 2 365.430 1.379 20 10 FDCDLO C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000790897440 933775390 /nfs/dbraw/zinc/77/53/90/933775390.db2.gz WVHDBOYAEITOAA-LBPRGKRZSA-N 1 2 365.430 1.379 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000807098560 940248481 /nfs/dbraw/zinc/24/84/81/940248481.db2.gz YDELURYNFMIWNX-HNNXBMFYSA-N 1 2 355.442 1.005 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000807101541 940250190 /nfs/dbraw/zinc/25/01/90/940250190.db2.gz ZGFIJHXQTZFMNY-MRXNPFEDSA-N 1 2 369.469 1.427 20 10 FDCDLO COc1ccc(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c(O)c1 ZINC000811484911 941135830 /nfs/dbraw/zinc/13/58/30/941135830.db2.gz OYOTUDREOUDAGB-MRXNPFEDSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1ccc(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c(O)c1 ZINC000811484911 941135831 /nfs/dbraw/zinc/13/58/31/941135831.db2.gz OYOTUDREOUDAGB-MRXNPFEDSA-N 1 2 374.441 1.514 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816615868 942278673 /nfs/dbraw/zinc/27/86/73/942278673.db2.gz HUQCZQTYCYGTOJ-UHFFFAOYSA-N 1 2 365.858 1.499 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816615868 942278676 /nfs/dbraw/zinc/27/86/76/942278676.db2.gz HUQCZQTYCYGTOJ-UHFFFAOYSA-N 1 2 365.858 1.499 20 10 FDCDLO O=C(c1cc(O)c(O)c(O)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001148581824 952757249 /nfs/dbraw/zinc/75/72/49/952757249.db2.gz BQPHBARPOUFMDZ-UHFFFAOYSA-N 1 2 356.338 1.235 20 10 FDCDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182157082 961505685 /nfs/dbraw/zinc/50/56/85/961505685.db2.gz GMRIVNSIGHZHMY-AWEZNQCLSA-N 1 2 361.398 1.055 20 10 FDCDLO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)C1 ZINC001173621193 962479707 /nfs/dbraw/zinc/47/97/07/962479707.db2.gz VDUIFQGNBIUALV-QEJZJMRPSA-N 1 2 365.426 1.893 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCCC3COC3)cc12 ZINC001184361441 963541520 /nfs/dbraw/zinc/54/15/20/963541520.db2.gz HJVOGONVWHHQME-UHFFFAOYSA-N 1 2 360.410 1.392 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCCC3COC3)cc12 ZINC001184361441 963541523 /nfs/dbraw/zinc/54/15/23/963541523.db2.gz HJVOGONVWHHQME-UHFFFAOYSA-N 1 2 360.410 1.392 20 10 FDCDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1NC(=O)C(F)(F)F ZINC000853622556 968202427 /nfs/dbraw/zinc/20/24/27/968202427.db2.gz IDZJOFFIGCORQF-LQJRIPTKSA-N 1 2 374.359 1.707 20 10 FDCDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1NC(=O)C(F)(F)F ZINC000853622556 968202435 /nfs/dbraw/zinc/20/24/35/968202435.db2.gz IDZJOFFIGCORQF-LQJRIPTKSA-N 1 2 374.359 1.707 20 10 FDCDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853776655 968306928 /nfs/dbraw/zinc/30/69/28/968306928.db2.gz TWUPJITYTSWLMH-SJORKVTESA-N 1 2 358.486 1.971 20 10 FDCDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853776655 968306934 /nfs/dbraw/zinc/30/69/34/968306934.db2.gz TWUPJITYTSWLMH-SJORKVTESA-N 1 2 358.486 1.971 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3nc(C4CC4)no3)CC2)cc1 ZINC000865919101 974570020 /nfs/dbraw/zinc/57/00/20/974570020.db2.gz UNJXWEANDLAHKD-UHFFFAOYSA-N 1 2 371.441 1.508 20 10 FDCDLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000776243939 975233508 /nfs/dbraw/zinc/23/35/08/975233508.db2.gz DCBZFPCIMBWLHI-MAUKXSAKSA-N 1 2 364.490 1.148 20 10 FDCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000106819042 975561651 /nfs/dbraw/zinc/56/16/51/975561651.db2.gz SIOFEDGYCWRGJS-HNNXBMFYSA-N 1 2 355.486 1.855 20 10 FDCDLO COc1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1F ZINC000881980263 980341453 /nfs/dbraw/zinc/34/14/53/980341453.db2.gz FUKUETGFWPKWQS-UHFFFAOYSA-N 1 2 368.434 1.183 20 10 FDCDLO CS(=O)(=O)CCOCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883017853 981890047 /nfs/dbraw/zinc/89/00/47/981890047.db2.gz DRVVCYIIZZVPCV-UHFFFAOYSA-N 1 2 370.240 1.445 20 10 FDCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Br)CC1)NC1CC1 ZINC000862214375 984253944 /nfs/dbraw/zinc/25/39/44/984253944.db2.gz PUJHUONLALRQSZ-UHFFFAOYSA-N 1 2 368.275 1.551 20 10 FDCDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862215029 984255810 /nfs/dbraw/zinc/25/58/10/984255810.db2.gz GRNBQRAOVCXINE-ZDUSSCGKSA-N 1 2 366.456 1.816 20 10 FDCDLO CN(C)c1cc(F)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1F ZINC000862234704 984270647 /nfs/dbraw/zinc/27/06/47/984270647.db2.gz XUVKGSRGDYUWKR-UHFFFAOYSA-N 1 2 361.458 1.887 20 10 FDCDLO Nc1nsc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC000862252436 984284546 /nfs/dbraw/zinc/28/45/46/984284546.db2.gz UCQMHAUXJDUPTH-UHFFFAOYSA-N 1 2 370.276 1.911 20 10 FDCDLO NC(=O)c1cn(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)nn1 ZINC000862483964 984399124 /nfs/dbraw/zinc/39/91/24/984399124.db2.gz ZTNIXPJSJLQOIX-UHFFFAOYSA-N 1 2 353.785 1.712 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)c(OC)c1 ZINC000870164424 985759017 /nfs/dbraw/zinc/75/90/17/985759017.db2.gz WWTUTWWYGUGYAX-HNNXBMFYSA-N 1 2 370.453 1.812 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3nc[nH]n3)CC1)cc2=O ZINC000365933224 988238650 /nfs/dbraw/zinc/23/86/50/988238650.db2.gz CCOYMKAZXAFGLK-UHFFFAOYSA-N 1 2 371.401 1.109 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000361439238 988379965 /nfs/dbraw/zinc/37/99/65/988379965.db2.gz CCCARZVBJBXKJQ-UHFFFAOYSA-N 1 2 373.501 1.250 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000361439238 988379983 /nfs/dbraw/zinc/37/99/83/988379983.db2.gz CCCARZVBJBXKJQ-UHFFFAOYSA-N 1 2 373.501 1.250 20 10 FDCDLO C[C@H](CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+]1CCOCC1 ZINC000364615307 989679260 /nfs/dbraw/zinc/67/92/60/989679260.db2.gz WJWFQQNXKLUJRM-MRXNPFEDSA-N 1 2 358.486 1.882 20 10 FDCDLO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875101808 990896950 /nfs/dbraw/zinc/89/69/50/990896950.db2.gz FVJMDVASQYTUDJ-HNNXBMFYSA-N 1 2 357.483 1.860 20 10 FDCDLO COC(=O)c1cn(C2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)nn1 ZINC000877178317 993090481 /nfs/dbraw/zinc/09/04/81/993090481.db2.gz SDIDCPAQQZOCJM-UHFFFAOYSA-N 1 2 371.441 1.083 20 10 FDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCc2ncnn21 ZINC000878242471 993824925 /nfs/dbraw/zinc/82/49/25/993824925.db2.gz KITMRRPGCAEKJM-CYBMUJFWSA-N 1 2 350.806 1.800 20 10 FDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCc2ncnn21 ZINC000878242471 993824934 /nfs/dbraw/zinc/82/49/34/993824934.db2.gz KITMRRPGCAEKJM-CYBMUJFWSA-N 1 2 350.806 1.800 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(C4CCC4)C3=O)CC2)c(OC)c1 ZINC000879461033 994926777 /nfs/dbraw/zinc/92/67/77/994926777.db2.gz AEJVFVQOHSTRRX-SFHVURJKSA-N 1 2 359.470 1.979 20 10 FDCDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000826131711 995381112 /nfs/dbraw/zinc/38/11/12/995381112.db2.gz XZUOPVKLYMXCKM-LBPRGKRZSA-N 1 2 371.231 1.408 20 10 FDCDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000826131711 995381123 /nfs/dbraw/zinc/38/11/23/995381123.db2.gz XZUOPVKLYMXCKM-LBPRGKRZSA-N 1 2 371.231 1.408 20 10 FDCDLO CCn1ccnc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1=O ZINC000271331029 999693027 /nfs/dbraw/zinc/69/30/27/999693027.db2.gz AHWNCBQCUQOWBJ-UHFFFAOYSA-N 1 2 357.458 1.506 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000779014643 1007134974 /nfs/dbraw/zinc/13/49/74/1007134974.db2.gz OXHAAGOSKPNHDN-UHFFFAOYSA-N 1 2 353.469 1.664 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000079399166 523745355 /nfs/dbraw/zinc/74/53/55/523745355.db2.gz TWIRDCOWWXTCAL-AWEZNQCLSA-N 1 2 358.435 1.638 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000079399166 523745358 /nfs/dbraw/zinc/74/53/58/523745358.db2.gz TWIRDCOWWXTCAL-AWEZNQCLSA-N 1 2 358.435 1.638 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083442447 524256605 /nfs/dbraw/zinc/25/66/05/524256605.db2.gz SWNVYIPJXCQKGE-UHFFFAOYSA-N 1 2 356.474 1.709 20 10 FDCDLO COCCCS(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180760206 525752857 /nfs/dbraw/zinc/75/28/57/525752857.db2.gz SVGIARVNMCFERS-UHFFFAOYSA-N 1 2 362.879 1.530 20 10 FDCDLO Cc1nc(N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc[nH+]1 ZINC000183792159 536049950 /nfs/dbraw/zinc/04/99/50/536049950.db2.gz YZHFSRWGALQZEA-UHFFFAOYSA-N 1 2 368.485 1.289 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2)CC1 ZINC000191725617 537211602 /nfs/dbraw/zinc/21/16/02/537211602.db2.gz YZHNSYCXIVYBTD-UHFFFAOYSA-N 1 2 365.441 1.644 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000298899121 537362510 /nfs/dbraw/zinc/36/25/10/537362510.db2.gz MIIBKFNZFLETTG-QGZVFWFLSA-N 1 2 363.408 1.970 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000283681681 537386478 /nfs/dbraw/zinc/38/64/78/537386478.db2.gz ZXDYRUXJTQITNV-UHFFFAOYSA-N 1 2 367.453 1.113 20 10 FDCDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237775791 537639905 /nfs/dbraw/zinc/63/99/05/537639905.db2.gz XRNPVRDIBSLJTH-INIZCTEOSA-N 1 2 358.486 1.357 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCc3nnc(N)cc3C2)c1O ZINC000371373418 537824747 /nfs/dbraw/zinc/82/47/47/537824747.db2.gz MAMFCQPCHTXREX-UHFFFAOYSA-N 1 2 365.231 2.094 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCc3nnc(N)cc3C2)c1O ZINC000371373418 537824756 /nfs/dbraw/zinc/82/47/56/537824756.db2.gz MAMFCQPCHTXREX-UHFFFAOYSA-N 1 2 365.231 2.094 20 10 FDCDLO CN1CCc2cc(CNc3cc(N4CCN(C)C(=O)C4)nc[nH+]3)ccc21 ZINC000365458095 568723503 /nfs/dbraw/zinc/72/35/03/568723503.db2.gz YLTJOOHRHQXYJS-UHFFFAOYSA-N 1 2 352.442 1.359 20 10 FDCDLO CN1CCc2cc(CNc3cc(N4CCN(C)C(=O)C4)[nH+]cn3)ccc21 ZINC000365458095 568723504 /nfs/dbraw/zinc/72/35/04/568723504.db2.gz YLTJOOHRHQXYJS-UHFFFAOYSA-N 1 2 352.442 1.359 20 10 FDCDLO Fc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccc1N1CCOCC1 ZINC000822748289 599411065 /nfs/dbraw/zinc/41/10/65/599411065.db2.gz RGJPFJMFCJQJEU-UHFFFAOYSA-N 1 2 358.377 1.725 20 10 FDCDLO CNC(=O)CN1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048796069 671086102 /nfs/dbraw/zinc/08/61/02/671086102.db2.gz RMBMYAAXGOBCPT-UHFFFAOYSA-N 1 2 356.264 1.455 20 10 FDCDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000280508031 675430359 /nfs/dbraw/zinc/43/03/59/675430359.db2.gz AKKJQTKXCYSBGK-UHFFFAOYSA-N 1 2 351.472 1.882 20 10 FDCDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C)Cc1ccccc1O ZINC000280508031 675430360 /nfs/dbraw/zinc/43/03/60/675430360.db2.gz AKKJQTKXCYSBGK-UHFFFAOYSA-N 1 2 351.472 1.882 20 10 FDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000160992791 777782205 /nfs/dbraw/zinc/78/22/05/777782205.db2.gz PQTPNIVPUSPWCM-IBGZPJMESA-N 1 2 359.470 1.346 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000729052511 810940723 /nfs/dbraw/zinc/94/07/23/810940723.db2.gz LIKYSPZORBUGEH-CYBMUJFWSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000729052511 810940725 /nfs/dbraw/zinc/94/07/25/810940725.db2.gz LIKYSPZORBUGEH-CYBMUJFWSA-N 1 2 351.447 1.872 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000785421153 859888621 /nfs/dbraw/zinc/88/86/21/859888621.db2.gz ARPZINAPANKHAL-UHFFFAOYSA-N 1 2 355.442 1.498 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000785421153 859888631 /nfs/dbraw/zinc/88/86/31/859888631.db2.gz ARPZINAPANKHAL-UHFFFAOYSA-N 1 2 355.442 1.498 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000730832270 917331448 /nfs/dbraw/zinc/33/14/48/917331448.db2.gz IQINKQKCJUORKT-UHFFFAOYSA-N 1 2 363.395 1.062 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CCC3CC3)CC2)cc1 ZINC000770685372 930182676 /nfs/dbraw/zinc/18/26/76/930182676.db2.gz NTYYJLAQORCKHF-UHFFFAOYSA-N 1 2 367.515 1.537 20 10 FDCDLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816600143 942271946 /nfs/dbraw/zinc/27/19/46/942271946.db2.gz MHAZBBQUITXBEF-TVQRCGJNSA-N 1 2 350.843 1.992 20 10 FDCDLO CN(c1ccc(C[NH+]2CC(O)C2)cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001212668086 961695865 /nfs/dbraw/zinc/69/58/65/961695865.db2.gz GPNFBJLLHUWCPA-UHFFFAOYSA-N 1 2 361.467 1.412 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CC[NH+]4CC[C@@H]4C3)cc12 ZINC001184360735 963541702 /nfs/dbraw/zinc/54/17/02/963541702.db2.gz JCBLQLAOEIHZRQ-OAHLLOKOSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CC[NH+]4CC[C@@H]4C3)cc12 ZINC001184360735 963541707 /nfs/dbraw/zinc/54/17/07/963541707.db2.gz JCBLQLAOEIHZRQ-OAHLLOKOSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[NH+](C)CC(=O)N3CC[N@@H+]4CC[C@@H]4C3)cc12 ZINC001184360735 963541711 /nfs/dbraw/zinc/54/17/11/963541711.db2.gz JCBLQLAOEIHZRQ-OAHLLOKOSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[NH+](C)CC(=O)N3CC[N@H+]4CC[C@@H]4C3)cc12 ZINC001184360735 963541715 /nfs/dbraw/zinc/54/17/15/963541715.db2.gz JCBLQLAOEIHZRQ-OAHLLOKOSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3cncnc3)cc12 ZINC001184361938 963543155 /nfs/dbraw/zinc/54/31/55/963543155.db2.gz LVAITTSQXMJCDK-UHFFFAOYSA-N 1 2 368.393 1.345 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3cncnc3)cc12 ZINC001184361938 963543161 /nfs/dbraw/zinc/54/31/61/963543161.db2.gz LVAITTSQXMJCDK-UHFFFAOYSA-N 1 2 368.393 1.345 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000853652581 968226478 /nfs/dbraw/zinc/22/64/78/968226478.db2.gz PSRXMXKKZKPFQT-CYBMUJFWSA-N 1 2 351.403 1.913 20 10 FDCDLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000776243541 975233315 /nfs/dbraw/zinc/23/33/15/975233315.db2.gz DCBZFPCIMBWLHI-CRAIPNDOSA-N 1 2 364.490 1.148 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1[N+](=O)[O-] ZINC000862525464 984403997 /nfs/dbraw/zinc/40/39/97/984403997.db2.gz BOUHPPAHJCKNIW-NEPJUHHUSA-N 1 2 356.400 1.461 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1[N+](=O)[O-] ZINC000862525464 984404002 /nfs/dbraw/zinc/40/40/02/984404002.db2.gz BOUHPPAHJCKNIW-NEPJUHHUSA-N 1 2 356.400 1.461 20 10 FDCDLO CC1CC(n2nnc3c2C[N@H+](Cc2cc4c(cc2O)OC[C@H]4O)CC3)C1 ZINC000872686231 987969929 /nfs/dbraw/zinc/96/99/29/987969929.db2.gz BMDNHEJDDZVGTL-LJMKFJKQSA-N 1 2 356.426 1.939 20 10 FDCDLO CC1CC(n2nnc3c2C[N@@H+](Cc2cc4c(cc2O)OC[C@H]4O)CC3)C1 ZINC000872686231 987969933 /nfs/dbraw/zinc/96/99/33/987969933.db2.gz BMDNHEJDDZVGTL-LJMKFJKQSA-N 1 2 356.426 1.939 20 10 FDCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000294823939 988545065 /nfs/dbraw/zinc/54/50/65/988545065.db2.gz KVPJFDIXVJWDGP-UHFFFAOYSA-N 1 2 367.421 1.253 20 10 FDCDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000294823939 988545074 /nfs/dbraw/zinc/54/50/74/988545074.db2.gz KVPJFDIXVJWDGP-UHFFFAOYSA-N 1 2 367.421 1.253 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc(C)cn3)CC2)cc1 ZINC000299502122 988547637 /nfs/dbraw/zinc/54/76/37/988547637.db2.gz NMSZQNZJZQXXSB-UHFFFAOYSA-N 1 2 355.442 1.346 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000297900512 989760170 /nfs/dbraw/zinc/76/01/70/989760170.db2.gz RPQDYSDZQOXKMT-UHFFFAOYSA-N 1 2 369.469 1.771 20 10 FDCDLO C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218166 994281586 /nfs/dbraw/zinc/28/15/86/994281586.db2.gz GKWWTWNDEAEOOD-GOEBONIOSA-N 1 2 363.458 1.148 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000879129731 994564243 /nfs/dbraw/zinc/56/42/43/994564243.db2.gz KRFYMWRNYAVWAK-WOJBJXKFSA-N 1 2 369.465 1.493 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000879129731 994564249 /nfs/dbraw/zinc/56/42/49/994564249.db2.gz KRFYMWRNYAVWAK-WOJBJXKFSA-N 1 2 369.465 1.493 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000879461639 994928156 /nfs/dbraw/zinc/92/81/56/994928156.db2.gz DHABTAWSFVVJHC-HNNXBMFYSA-N 1 2 368.499 1.651 20 10 FDCDLO O=C(NCCc1ccc(O)c(O)c1)c1ccccc1C[NH+]1CCOCC1 ZINC000271258974 999681803 /nfs/dbraw/zinc/68/18/03/999681803.db2.gz UFYQDTJMZQQHGE-UHFFFAOYSA-N 1 2 356.422 1.903 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccnc3F)CC2)cc1 ZINC000287445209 999958017 /nfs/dbraw/zinc/95/80/17/999958017.db2.gz MDECAFXIOCAVRP-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO CN(C)c1ccc(CNC(=O)CSc2[nH+]cnc3c2cnn3C)cc1 ZINC000011495069 518562228 /nfs/dbraw/zinc/56/22/28/518562228.db2.gz BGXRNSCCIHWWDA-UHFFFAOYSA-N 1 2 356.455 1.838 20 10 FDCDLO C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105205917 525474974 /nfs/dbraw/zinc/47/49/74/525474974.db2.gz DFPJBEIDHPWLRM-ZIAGYGMSSA-N 1 2 352.454 1.800 20 10 FDCDLO O=S(=O)(Cc1ccon1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180512844 525715043 /nfs/dbraw/zinc/71/50/43/525715043.db2.gz WLKZPZHQKNIONR-UHFFFAOYSA-N 1 2 371.846 1.681 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000171911678 526181279 /nfs/dbraw/zinc/18/12/79/526181279.db2.gz YICAOYLMYCYQEG-GOSISDBHSA-N 1 2 355.442 1.356 20 10 FDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)Cn1cccn1 ZINC000171927473 526183670 /nfs/dbraw/zinc/18/36/70/526183670.db2.gz RWKQQBCUBUCFPL-CQSZACIVSA-N 1 2 353.806 1.278 20 10 FDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)Cn1cccn1 ZINC000171927473 526183676 /nfs/dbraw/zinc/18/36/76/526183676.db2.gz RWKQQBCUBUCFPL-CQSZACIVSA-N 1 2 353.806 1.278 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000267407966 536976788 /nfs/dbraw/zinc/97/67/88/536976788.db2.gz SNFBPFJOBAPBSK-NSHDSACASA-N 1 2 360.863 1.749 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000267407966 536976791 /nfs/dbraw/zinc/97/67/91/536976791.db2.gz SNFBPFJOBAPBSK-NSHDSACASA-N 1 2 360.863 1.749 20 10 FDCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)c1O ZINC000268498166 537014149 /nfs/dbraw/zinc/01/41/49/537014149.db2.gz RNQORCPPERLXLE-UHFFFAOYSA-N 1 2 367.877 1.844 20 10 FDCDLO Nc1nsc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000271263727 537414188 /nfs/dbraw/zinc/41/41/88/537414188.db2.gz LFCSKALLTLRAIE-UHFFFAOYSA-N 1 2 370.276 1.911 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000289116425 537556045 /nfs/dbraw/zinc/55/60/45/537556045.db2.gz DFUDAFIKTWWLEL-LBPRGKRZSA-N 1 2 373.431 1.165 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000289116425 537556051 /nfs/dbraw/zinc/55/60/51/537556051.db2.gz DFUDAFIKTWWLEL-LBPRGKRZSA-N 1 2 373.431 1.165 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368604078 677500648 /nfs/dbraw/zinc/50/06/48/677500648.db2.gz SVYKVMIIVOHMDE-BWDYHRDRSA-N 1 2 364.467 1.435 20 10 FDCDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(O)c1O ZINC000275133901 771358888 /nfs/dbraw/zinc/35/88/88/771358888.db2.gz ODIIFGBZRNBNOY-CQSZACIVSA-N 1 2 356.426 1.433 20 10 FDCDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762778 771648404 /nfs/dbraw/zinc/64/84/04/771648404.db2.gz IMDVCHVXSHCEJW-CYBMUJFWSA-N 1 2 354.834 1.937 20 10 FDCDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890762778 771648411 /nfs/dbraw/zinc/64/84/11/771648411.db2.gz IMDVCHVXSHCEJW-CYBMUJFWSA-N 1 2 354.834 1.937 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)O[C@H](C)[C@H]3C)CC2)cc1 ZINC000782624286 785476924 /nfs/dbraw/zinc/47/69/24/785476924.db2.gz UJUONQGLZUHSPR-GVDBMIGSSA-N 1 2 361.486 1.842 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)O[C@H](C)[C@H]3C)CC2)cc1 ZINC000782624286 785476928 /nfs/dbraw/zinc/47/69/28/785476928.db2.gz UJUONQGLZUHSPR-GVDBMIGSSA-N 1 2 361.486 1.842 20 10 FDCDLO CC(=O)N1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000182166893 794050658 /nfs/dbraw/zinc/05/06/58/794050658.db2.gz RRVHYDNCRFDTSN-UHFFFAOYSA-N 1 2 360.502 1.654 20 10 FDCDLO CC(=O)N1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000182166893 794050662 /nfs/dbraw/zinc/05/06/62/794050662.db2.gz RRVHYDNCRFDTSN-UHFFFAOYSA-N 1 2 360.502 1.654 20 10 FDCDLO COc1cc(O)c(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1OC ZINC000378442358 794137175 /nfs/dbraw/zinc/13/71/75/794137175.db2.gz KAPSPCZLCSBKOQ-OAHLLOKOSA-N 1 2 363.458 1.196 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364416240 795951514 /nfs/dbraw/zinc/95/15/14/795951514.db2.gz OOZDRQRGKRHECQ-KRWDZBQOSA-N 1 2 354.454 1.941 20 10 FDCDLO Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(O)c1O ZINC000272543947 814745736 /nfs/dbraw/zinc/74/57/36/814745736.db2.gz DBLPAVSAUPSTBM-UHFFFAOYSA-N 1 2 368.397 1.045 20 10 FDCDLO COCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000894489590 818118540 /nfs/dbraw/zinc/11/85/40/818118540.db2.gz AOWCDCQMBYAGIQ-ZDUSSCGKSA-N 1 2 359.444 1.045 20 10 FDCDLO COCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000894489590 818118548 /nfs/dbraw/zinc/11/85/48/818118548.db2.gz AOWCDCQMBYAGIQ-ZDUSSCGKSA-N 1 2 359.444 1.045 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302588417 827719829 /nfs/dbraw/zinc/71/98/29/827719829.db2.gz VKVGCBKVTRGPNY-UHFFFAOYSA-N 1 2 354.458 1.742 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302588417 827719840 /nfs/dbraw/zinc/71/98/40/827719840.db2.gz VKVGCBKVTRGPNY-UHFFFAOYSA-N 1 2 354.458 1.742 20 10 FDCDLO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000898358992 840996212 /nfs/dbraw/zinc/99/62/12/840996212.db2.gz LGVCXBYHTZHPCA-DGCLKSJQSA-N 1 2 373.247 1.694 20 10 FDCDLO CN(C)c1ccc([C@H](CNS(=O)(=O)C2CCC(=O)CC2)[NH+](C)C)cc1 ZINC000908460448 855445640 /nfs/dbraw/zinc/44/56/40/855445640.db2.gz TWSYMWMKZXQXHK-SFHVURJKSA-N 1 2 367.515 1.786 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000916623176 881840343 /nfs/dbraw/zinc/84/03/43/881840343.db2.gz HWHGVVOEXQJVJQ-INIZCTEOSA-N 1 2 357.458 1.950 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NCC[N@@H+]3CCOCC3(C)C)ccc21 ZINC000170833775 888118840 /nfs/dbraw/zinc/11/88/40/888118840.db2.gz QDTOOIMYGSUILP-UHFFFAOYSA-N 1 2 360.502 1.979 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NCC[N@H+]3CCOCC3(C)C)ccc21 ZINC000170833775 888118846 /nfs/dbraw/zinc/11/88/46/888118846.db2.gz QDTOOIMYGSUILP-UHFFFAOYSA-N 1 2 360.502 1.979 20 10 FDCDLO O=C(CCNC(=O)C1=CC(=O)CS1)N1CCN(c2cccc[nH+]2)CC1 ZINC000732279625 919302191 /nfs/dbraw/zinc/30/21/91/919302191.db2.gz NXEMFHMPWYVMSG-UHFFFAOYSA-N 1 2 360.439 1.317 20 10 FDCDLO C[C@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000788639470 932769890 /nfs/dbraw/zinc/76/98/90/932769890.db2.gz OTVVPUFWVWEBAC-HNNXBMFYSA-N 1 2 369.469 1.943 20 10 FDCDLO CN1CCC(CNC(=O)c2c(F)ccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000790070824 933331382 /nfs/dbraw/zinc/33/13/82/933331382.db2.gz HZKSLHOPPXHPLO-UHFFFAOYSA-N 1 2 365.449 1.917 20 10 FDCDLO C[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000807674297 940451692 /nfs/dbraw/zinc/45/16/92/940451692.db2.gz JRNYYGMWWSQFQK-ZFWWWQNUSA-N 1 2 355.442 1.258 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000856210605 970983729 /nfs/dbraw/zinc/98/37/29/970983729.db2.gz JIDZHHDEDWEJPC-INIZCTEOSA-N 1 2 354.454 1.723 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000819697088 943695499 /nfs/dbraw/zinc/69/54/99/943695499.db2.gz OMNJFOWQEDRNJA-CQSZACIVSA-N 1 2 357.410 1.743 20 10 FDCDLO COCCOCC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000844782316 948384169 /nfs/dbraw/zinc/38/41/69/948384169.db2.gz VVBLWMJKWBJIGN-UHFFFAOYSA-N 1 2 364.490 1.243 20 10 FDCDLO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715813362 958480371 /nfs/dbraw/zinc/48/03/71/958480371.db2.gz NWEACYKWFLDLCN-UHFFFAOYSA-N 1 2 352.225 1.961 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC[C@](C)(O)C3)cc12 ZINC001184356933 963540537 /nfs/dbraw/zinc/54/05/37/963540537.db2.gz QDVITHXCFVGDPP-IBGZPJMESA-N 1 2 360.410 1.222 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC[C@](C)(O)C3)cc12 ZINC001184356933 963540543 /nfs/dbraw/zinc/54/05/43/963540543.db2.gz QDVITHXCFVGDPP-IBGZPJMESA-N 1 2 360.410 1.222 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3cccn3C)cc12 ZINC001184362321 963543002 /nfs/dbraw/zinc/54/30/02/963543002.db2.gz PSNWNJXAWJUJOE-UHFFFAOYSA-N 1 2 369.421 1.894 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3cccn3C)cc12 ZINC001184362321 963543006 /nfs/dbraw/zinc/54/30/06/963543006.db2.gz PSNWNJXAWJUJOE-UHFFFAOYSA-N 1 2 369.421 1.894 20 10 FDCDLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853014707 967774485 /nfs/dbraw/zinc/77/44/85/967774485.db2.gz BNCLQUZQJKXXNY-UHFFFAOYSA-N 1 2 357.458 1.734 20 10 FDCDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CO1 ZINC000853776650 968306781 /nfs/dbraw/zinc/30/67/81/968306781.db2.gz TWUPJITYTSWLMH-IAGOWNOFSA-N 1 2 358.486 1.971 20 10 FDCDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CO1 ZINC000853776650 968306786 /nfs/dbraw/zinc/30/67/86/968306786.db2.gz TWUPJITYTSWLMH-IAGOWNOFSA-N 1 2 358.486 1.971 20 10 FDCDLO COc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc(O)c1O ZINC001193096315 969500697 /nfs/dbraw/zinc/50/06/97/969500697.db2.gz PNEIJIAAFZFDJY-UHFFFAOYSA-N 1 2 357.410 1.502 20 10 FDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000847365918 975536187 /nfs/dbraw/zinc/53/61/87/975536187.db2.gz GLBSBPBMKBGQEE-GOEBONIOSA-N 1 2 369.469 1.606 20 10 FDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000847365918 975536192 /nfs/dbraw/zinc/53/61/92/975536192.db2.gz GLBSBPBMKBGQEE-GOEBONIOSA-N 1 2 369.469 1.606 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000882277122 980533723 /nfs/dbraw/zinc/53/37/23/980533723.db2.gz WXHGCLAZESTWRJ-HNNXBMFYSA-N 1 2 364.471 1.338 20 10 FDCDLO CC(C)NC(=O)CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862213736 984253114 /nfs/dbraw/zinc/25/31/14/984253114.db2.gz VOCPXONXHAVTTJ-UHFFFAOYSA-N 1 2 370.291 1.797 20 10 FDCDLO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875101810 990896540 /nfs/dbraw/zinc/89/65/40/990896540.db2.gz FVJMDVASQYTUDJ-OAHLLOKOSA-N 1 2 357.483 1.860 20 10 FDCDLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876550930 992699209 /nfs/dbraw/zinc/69/92/09/992699209.db2.gz IDCLEKLACSRECL-SFHVURJKSA-N 1 2 371.485 1.783 20 10 FDCDLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876550930 992699214 /nfs/dbraw/zinc/69/92/14/992699214.db2.gz IDCLEKLACSRECL-SFHVURJKSA-N 1 2 371.485 1.783 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1F ZINC000285838878 999921547 /nfs/dbraw/zinc/92/15/47/999921547.db2.gz ZJGIJAUMWIMSDY-UHFFFAOYSA-N 1 2 361.421 1.253 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)cc1 ZINC000931195511 1003950940 /nfs/dbraw/zinc/95/09/40/1003950940.db2.gz BECMYTVHUAXQSF-UHFFFAOYSA-N 1 2 357.458 1.208 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)cc1 ZINC000931195511 1003950942 /nfs/dbraw/zinc/95/09/42/1003950942.db2.gz BECMYTVHUAXQSF-UHFFFAOYSA-N 1 2 357.458 1.208 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3Cc4c[nH]nc4[C@@H](C)C3)CC2)cc1 ZINC000931454795 1004175458 /nfs/dbraw/zinc/17/54/58/1004175458.db2.gz UQFXJNPIWDJMND-HNNXBMFYSA-N 1 2 369.469 1.686 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3Cc4c[nH]nc4[C@@H](C)C3)CC2)cc1 ZINC000931454795 1004175461 /nfs/dbraw/zinc/17/54/61/1004175461.db2.gz UQFXJNPIWDJMND-HNNXBMFYSA-N 1 2 369.469 1.686 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556647168 544168105 /nfs/dbraw/zinc/16/81/05/544168105.db2.gz XWTKLQGHCFPUQG-UHFFFAOYSA-N 1 2 367.453 1.896 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000007352810 518415518 /nfs/dbraw/zinc/41/55/18/518415518.db2.gz NHZGWLJSOKGJHU-UHFFFAOYSA-N 1 2 368.485 1.323 20 10 FDCDLO Cc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC000082983546 524223017 /nfs/dbraw/zinc/22/30/17/524223017.db2.gz VEWSYDWDMAYFDB-IBGZPJMESA-N 1 2 371.481 1.859 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cc(F)ccc3O)CC2)cn1C ZINC000180231976 525675096 /nfs/dbraw/zinc/67/50/96/525675096.db2.gz IWPXHGZNMCRCCY-UHFFFAOYSA-N 1 2 368.434 1.080 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3cccnc3)CC2)cc1 ZINC000155882306 525999097 /nfs/dbraw/zinc/99/90/97/525999097.db2.gz NLWFFGDZGDRRSB-UHFFFAOYSA-N 1 2 354.454 1.871 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3cccnc3)CC2)cc1 ZINC000155882306 525999107 /nfs/dbraw/zinc/99/91/07/525999107.db2.gz NLWFFGDZGDRRSB-UHFFFAOYSA-N 1 2 354.454 1.871 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)cc1F ZINC000283939336 537394117 /nfs/dbraw/zinc/39/41/17/537394117.db2.gz CYFFWIQECNJESZ-CQSZACIVSA-N 1 2 356.463 1.781 20 10 FDCDLO COc1cc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc(OC)c1OC ZINC000273550740 537469024 /nfs/dbraw/zinc/46/90/24/537469024.db2.gz BXXSLXXEZKLVKL-CYBMUJFWSA-N 1 2 363.458 1.502 20 10 FDCDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000276614016 537593491 /nfs/dbraw/zinc/59/34/91/537593491.db2.gz PZVSPZFJXOCWML-ZDUSSCGKSA-N 1 2 374.416 1.572 20 10 FDCDLO O=C(CN1CCOCC1)N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295008411 537710046 /nfs/dbraw/zinc/71/00/46/537710046.db2.gz VIWYTUDGDPUVRW-UHFFFAOYSA-N 1 2 371.840 1.161 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4ccn(C)n4)C3=O)CC2)cc1 ZINC000365349024 568547955 /nfs/dbraw/zinc/54/79/55/568547955.db2.gz NBGCJNYXABOWME-KRWDZBQOSA-N 1 2 355.442 1.356 20 10 FDCDLO CCCCS(=O)(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000038598314 670883969 /nfs/dbraw/zinc/88/39/69/670883969.db2.gz KNOOTVZXHQITFG-UHFFFAOYSA-N 1 2 355.504 1.537 20 10 FDCDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093057095 671519967 /nfs/dbraw/zinc/51/99/67/671519967.db2.gz BEYIPCUNYBBTDP-AWEZNQCLSA-N 1 2 369.893 1.704 20 10 FDCDLO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891927857 780236996 /nfs/dbraw/zinc/23/69/96/780236996.db2.gz YQKDZIYWHIEMDB-UHFFFAOYSA-N 1 2 354.838 1.055 20 10 FDCDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759872711 795964651 /nfs/dbraw/zinc/96/46/51/795964651.db2.gz NQSRCWRIADWWCZ-CQSZACIVSA-N 1 2 365.474 1.749 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000279395642 808969314 /nfs/dbraw/zinc/96/93/14/808969314.db2.gz GSUVNPFQALAWRP-INIZCTEOSA-N 1 2 360.502 1.931 20 10 FDCDLO Fc1cc(C[NH2+]Cc2c[nH]cn2)ccc1N1CCN(c2ncccn2)CC1 ZINC000894199825 810877489 /nfs/dbraw/zinc/87/74/89/810877489.db2.gz QVZXRWSDMGEQLD-UHFFFAOYSA-N 1 2 367.432 1.955 20 10 FDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4cccc[nH+]4)CC3)cc2N1 ZINC000301605643 827660974 /nfs/dbraw/zinc/66/09/74/827660974.db2.gz MLJWSZXFEGUHPJ-UHFFFAOYSA-N 1 2 355.354 1.647 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)/C=C(\C)C[NH+]3CCOCC3)C2)cc1 ZINC000911276994 858396779 /nfs/dbraw/zinc/39/67/79/858396779.db2.gz QHKABTXODUKOMC-VJSYINPZSA-N 1 2 373.497 1.916 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)/C=C(/C)C[NH+]3CCOCC3)C2)cc1 ZINC000912293119 859566471 /nfs/dbraw/zinc/56/64/71/859566471.db2.gz RUZQMUNGFHAYGF-NOCRFKNCSA-N 1 2 359.470 1.669 20 10 FDCDLO C[C@@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169180 875327253 /nfs/dbraw/zinc/32/72/53/875327253.db2.gz JTXTVLUIZFJLKJ-NHYWBVRUSA-N 1 2 367.833 1.529 20 10 FDCDLO C[C@@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169180 875327271 /nfs/dbraw/zinc/32/72/71/875327271.db2.gz JTXTVLUIZFJLKJ-NHYWBVRUSA-N 1 2 367.833 1.529 20 10 FDCDLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169174 875327523 /nfs/dbraw/zinc/32/75/23/875327523.db2.gz JTXTVLUIZFJLKJ-ABAIWWIYSA-N 1 2 367.833 1.529 20 10 FDCDLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169174 875327539 /nfs/dbraw/zinc/32/75/39/875327539.db2.gz JTXTVLUIZFJLKJ-ABAIWWIYSA-N 1 2 367.833 1.529 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)cc1 ZINC001084108930 913453199 /nfs/dbraw/zinc/45/31/99/913453199.db2.gz MHENBQHTONXKRO-CVEARBPZSA-N 1 2 368.397 1.219 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)cc1 ZINC001084108930 913453210 /nfs/dbraw/zinc/45/32/10/913453210.db2.gz MHENBQHTONXKRO-CVEARBPZSA-N 1 2 368.397 1.219 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816890423 942371431 /nfs/dbraw/zinc/37/14/31/942371431.db2.gz KLLGKEMOPJXGRX-OAHLLOKOSA-N 1 2 358.417 1.738 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000817848985 943013051 /nfs/dbraw/zinc/01/30/51/943013051.db2.gz HWQARLWCAJVTAD-OAHLLOKOSA-N 1 2 371.485 1.201 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000856209603 970982800 /nfs/dbraw/zinc/98/28/00/970982800.db2.gz UIKUSRGCPWSCLX-INIZCTEOSA-N 1 2 354.454 1.723 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 ZINC000844725004 948332304 /nfs/dbraw/zinc/33/23/04/948332304.db2.gz HFWHWMDEGKUPKC-UHFFFAOYSA-N 1 2 362.430 1.220 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1 ZINC000844725004 948332309 /nfs/dbraw/zinc/33/23/09/948332309.db2.gz HFWHWMDEGKUPKC-UHFFFAOYSA-N 1 2 362.430 1.220 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCC(F)(F)F)cc12 ZINC001184354544 963558497 /nfs/dbraw/zinc/55/84/97/963558497.db2.gz GOAPMVHABHZLNV-UHFFFAOYSA-N 1 2 358.316 1.917 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCC(F)(F)F)cc12 ZINC001184354544 963558503 /nfs/dbraw/zinc/55/85/03/963558503.db2.gz GOAPMVHABHZLNV-UHFFFAOYSA-N 1 2 358.316 1.917 20 10 FDCDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000774823216 963816465 /nfs/dbraw/zinc/81/64/65/963816465.db2.gz QTZJCOYXCRJGDU-GFCCVEGCSA-N 1 2 358.416 1.708 20 10 FDCDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000774823216 963816472 /nfs/dbraw/zinc/81/64/72/963816472.db2.gz QTZJCOYXCRJGDU-GFCCVEGCSA-N 1 2 358.416 1.708 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000854988192 970085869 /nfs/dbraw/zinc/08/58/69/970085869.db2.gz PZIKWMPYUIGFAX-HNNXBMFYSA-N 1 2 357.410 1.743 20 10 FDCDLO COc1cc(N2CCN(c3nc(C)[nH+]c(N)n3)CC2)cc(OC)c1OC ZINC000865677842 974417707 /nfs/dbraw/zinc/41/77/07/974417707.db2.gz MTZQVYKAKZXMTP-UHFFFAOYSA-N 1 2 360.418 1.115 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852005683 979265331 /nfs/dbraw/zinc/26/53/31/979265331.db2.gz YNXVMGUILRUQHD-LJQANCHMSA-N 1 2 374.485 1.139 20 10 FDCDLO COc1ccc(N2CC[C@H](NS(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000882385633 980606927 /nfs/dbraw/zinc/60/69/27/980606927.db2.gz FRIMMAIWFGOQGK-AWEZNQCLSA-N 1 2 350.444 1.090 20 10 FDCDLO O=C(CN1CCc2[nH+]c[nH]c2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000859308937 982700662 /nfs/dbraw/zinc/70/06/62/982700662.db2.gz YCVNVDIIGUMKOC-UHFFFAOYSA-N 1 2 373.432 1.060 20 10 FDCDLO Oc1ccc(Br)cc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862436748 984390811 /nfs/dbraw/zinc/39/08/11/984390811.db2.gz JWVUOMZPVFJTLV-UHFFFAOYSA-N 1 2 350.220 1.662 20 10 FDCDLO C[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cccc(C(F)(F)F)c1O ZINC000886704590 986488891 /nfs/dbraw/zinc/48/88/91/986488891.db2.gz JQMGPAPKXALJLH-QMMMGPOBSA-N 1 2 353.304 1.993 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000370168699 989512385 /nfs/dbraw/zinc/51/23/85/989512385.db2.gz HLFDTOXGJUYQJN-KRWDZBQOSA-N 1 2 364.417 1.947 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000370168699 989512391 /nfs/dbraw/zinc/51/23/91/989512391.db2.gz HLFDTOXGJUYQJN-KRWDZBQOSA-N 1 2 364.417 1.947 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000297678286 989629563 /nfs/dbraw/zinc/62/95/63/989629563.db2.gz BHAOBGAAHQZDIV-UHFFFAOYSA-N 1 2 357.458 1.456 20 10 FDCDLO Cc1nc(N2CCN(C(=O)NCc3ccc4c(c3)CCN4C)CC2)cc[nH+]1 ZINC000372453815 991121603 /nfs/dbraw/zinc/12/16/03/991121603.db2.gz GJXJDSSHPJXNTB-UHFFFAOYSA-N 1 2 366.469 1.809 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3O)CC2)cs1 ZINC000876691207 992798899 /nfs/dbraw/zinc/79/88/99/992798899.db2.gz FAMVAUZPGOEYCZ-UHFFFAOYSA-N 1 2 367.496 1.972 20 10 FDCDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876762464 992884622 /nfs/dbraw/zinc/88/46/22/992884622.db2.gz GUPFJGKRYVNPFD-VWLOTQADSA-N 1 2 365.543 1.144 20 10 FDCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287360513 999956900 /nfs/dbraw/zinc/95/69/00/999956900.db2.gz YFCCCZYYAIGNBH-GDBMZVCRSA-N 1 2 364.465 1.896 20 10 FDCDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000060516308 522393913 /nfs/dbraw/zinc/39/39/13/522393913.db2.gz JLLDCFRGJVOIQG-UHFFFAOYSA-N 1 2 368.481 1.988 20 10 FDCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000067409562 523431731 /nfs/dbraw/zinc/43/17/31/523431731.db2.gz CHGOFVGVOFLKAE-UHFFFAOYSA-N 1 2 364.402 1.387 20 10 FDCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000067409562 523431742 /nfs/dbraw/zinc/43/17/42/523431742.db2.gz CHGOFVGVOFLKAE-UHFFFAOYSA-N 1 2 364.402 1.387 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000054346597 523619533 /nfs/dbraw/zinc/61/95/33/523619533.db2.gz OGGBMUSNHXLQET-OALUTQOASA-N 1 2 359.470 1.597 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000054346597 523619543 /nfs/dbraw/zinc/61/95/43/523619543.db2.gz OGGBMUSNHXLQET-OALUTQOASA-N 1 2 359.470 1.597 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160120989 524814653 /nfs/dbraw/zinc/81/46/53/524814653.db2.gz UWXVTEJOWHSTCR-OAHLLOKOSA-N 1 2 372.444 1.862 20 10 FDCDLO O=C(CN1CCOCC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000124325999 524957028 /nfs/dbraw/zinc/95/70/28/524957028.db2.gz DVAYHILCSSLNHY-UHFFFAOYSA-N 1 2 353.850 1.022 20 10 FDCDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000153116053 525110717 /nfs/dbraw/zinc/11/07/17/525110717.db2.gz UWRYDBNGYHNMQR-BBDZXRDTSA-N 1 2 357.454 1.078 20 10 FDCDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000153116053 525110724 /nfs/dbraw/zinc/11/07/24/525110724.db2.gz UWRYDBNGYHNMQR-BBDZXRDTSA-N 1 2 357.454 1.078 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)CC2)cc1 ZINC000185109563 536198997 /nfs/dbraw/zinc/19/89/97/536198997.db2.gz AYQSZOIJFYCYRV-BZQUYTCOSA-N 1 2 367.515 1.043 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)CC2)cc1 ZINC000185109563 536198998 /nfs/dbraw/zinc/19/89/98/536198998.db2.gz AYQSZOIJFYCYRV-BZQUYTCOSA-N 1 2 367.515 1.043 20 10 FDCDLO COc1ccc([NH+]2CCC(Nc3ncccc3S(N)(=O)=O)CC2)cc1 ZINC000078674483 536669751 /nfs/dbraw/zinc/66/97/51/536669751.db2.gz QHFUAQUFAJBGIX-UHFFFAOYSA-N 1 2 362.455 1.819 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(C(=O)c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000278294448 537294195 /nfs/dbraw/zinc/29/41/95/537294195.db2.gz VDXMPLIYFANANX-UHFFFAOYSA-N 1 2 372.381 1.662 20 10 FDCDLO CC1CCN(c2ccc(CNC(=O)C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000283888568 537389370 /nfs/dbraw/zinc/38/93/70/537389370.db2.gz KGSYHSNYSRRKDA-UHFFFAOYSA-N 1 2 369.469 1.552 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000285588565 537733998 /nfs/dbraw/zinc/73/39/98/537733998.db2.gz ANYKQRHHSWTYLW-AWEZNQCLSA-N 1 2 373.432 1.637 20 10 FDCDLO Oc1cccc(Cl)c1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826511448 608509239 /nfs/dbraw/zinc/50/92/39/608509239.db2.gz QRWSBGJQXRCFOV-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000278286703 675117548 /nfs/dbraw/zinc/11/75/48/675117548.db2.gz UKNSKMMKLCRLKX-NSHDSACASA-N 1 2 360.432 1.954 20 10 FDCDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000278286703 675117552 /nfs/dbraw/zinc/11/75/52/675117552.db2.gz UKNSKMMKLCRLKX-NSHDSACASA-N 1 2 360.432 1.954 20 10 FDCDLO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000157563987 671970259 /nfs/dbraw/zinc/97/02/59/671970259.db2.gz ZBOLBTJOFQMSIO-LLVKDONJSA-N 1 2 364.261 1.782 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000157563987 671970261 /nfs/dbraw/zinc/97/02/61/671970261.db2.gz ZBOLBTJOFQMSIO-LLVKDONJSA-N 1 2 364.261 1.782 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000371425481 677669827 /nfs/dbraw/zinc/66/98/27/677669827.db2.gz SPAASMAPKUWSNN-UHFFFAOYSA-N 1 2 370.291 1.717 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000371425481 677669830 /nfs/dbraw/zinc/66/98/30/677669830.db2.gz SPAASMAPKUWSNN-UHFFFAOYSA-N 1 2 370.291 1.717 20 10 FDCDLO COc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c(O)c1OC ZINC000891435669 777194656 /nfs/dbraw/zinc/19/46/56/777194656.db2.gz FTUJRLNLMIHNIF-UHFFFAOYSA-N 1 2 357.410 1.762 20 10 FDCDLO Fc1cc(C[NH+]2CCN(c3ncccn3)CC2)ccc1N1CCOCC1 ZINC000158814987 787103977 /nfs/dbraw/zinc/10/39/77/787103977.db2.gz MTEJQJBZMIXWPW-UHFFFAOYSA-N 1 2 357.433 1.775 20 10 FDCDLO COc1cc(O)c(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1OC ZINC000378442356 794137358 /nfs/dbraw/zinc/13/73/58/794137358.db2.gz KAPSPCZLCSBKOQ-HNNXBMFYSA-N 1 2 363.458 1.196 20 10 FDCDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2O)CC1 ZINC000893995697 809847928 /nfs/dbraw/zinc/84/79/28/809847928.db2.gz ZFCNZUQXTJGZBJ-UHFFFAOYSA-N 1 2 370.396 1.904 20 10 FDCDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2O)CC1 ZINC000893995697 809847935 /nfs/dbraw/zinc/84/79/35/809847935.db2.gz ZFCNZUQXTJGZBJ-UHFFFAOYSA-N 1 2 370.396 1.904 20 10 FDCDLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 ZINC000171964959 865407821 /nfs/dbraw/zinc/40/78/21/865407821.db2.gz QJQZFPZCWBZUAQ-WMZOPIPTSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 ZINC000171964959 865407827 /nfs/dbraw/zinc/40/78/27/865407827.db2.gz QJQZFPZCWBZUAQ-WMZOPIPTSA-N 1 2 361.486 1.843 20 10 FDCDLO O=C(C[NH2+]Cc1cc(Cl)cc(Br)c1O)N1CCOCC1 ZINC000708073907 886897010 /nfs/dbraw/zinc/89/70/10/886897010.db2.gz UZYWBANKQKCIEN-UHFFFAOYSA-N 1 2 363.639 1.757 20 10 FDCDLO Cc1nc(N2CC=C(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(C)c(C)[nH+]1 ZINC001089866788 897215670 /nfs/dbraw/zinc/21/56/70/897215670.db2.gz RQZDPCIZFACBPM-CVEARBPZSA-N 1 2 357.458 1.166 20 10 FDCDLO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000785429244 905159542 /nfs/dbraw/zinc/15/95/42/905159542.db2.gz XTGCHBMZSAVPCK-CRAIPNDOSA-N 1 2 369.469 1.675 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000807096873 940247607 /nfs/dbraw/zinc/24/76/07/940247607.db2.gz WCBQNVXFCWJGFH-UHFFFAOYSA-N 1 2 369.469 1.807 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000807292446 940310520 /nfs/dbraw/zinc/31/05/20/940310520.db2.gz XSVPZNBPKQNOSZ-INIZCTEOSA-N 1 2 365.437 1.007 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000811516022 941137772 /nfs/dbraw/zinc/13/77/72/941137772.db2.gz BPQHOBPLTZPIBM-UHFFFAOYSA-N 1 2 365.858 1.499 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000811516022 941137774 /nfs/dbraw/zinc/13/77/74/941137774.db2.gz BPQHOBPLTZPIBM-UHFFFAOYSA-N 1 2 365.858 1.499 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000813489891 941393726 /nfs/dbraw/zinc/39/37/26/941393726.db2.gz DVEKUFHILWUAJR-CQSZACIVSA-N 1 2 360.414 1.211 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000813489891 941393731 /nfs/dbraw/zinc/39/37/31/941393731.db2.gz DVEKUFHILWUAJR-CQSZACIVSA-N 1 2 360.414 1.211 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)NCCc3cn(C)c[nH+]3)C2)cc1 ZINC000823688886 945913356 /nfs/dbraw/zinc/91/33/56/945913356.db2.gz VWQXDLBHSXTWAU-OAHLLOKOSA-N 1 2 357.458 1.797 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncccc3F)CC2)cc1 ZINC000824285648 946300395 /nfs/dbraw/zinc/30/03/95/946300395.db2.gz RLOFDJCSZAWUHP-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(Br)c(F)cc1O ZINC001144307909 948621439 /nfs/dbraw/zinc/62/14/39/948621439.db2.gz LMQFCWPDDGRAGA-GFCCVEGCSA-N 1 2 361.211 1.583 20 10 FDCDLO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(Br)c(F)cc1O ZINC001144307909 948621440 /nfs/dbraw/zinc/62/14/40/948621440.db2.gz LMQFCWPDDGRAGA-GFCCVEGCSA-N 1 2 361.211 1.583 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000774470850 962221514 /nfs/dbraw/zinc/22/15/14/962221514.db2.gz QBIRFDBXMHKVMS-UHFFFAOYSA-N 1 2 357.458 1.552 20 10 FDCDLO O=C(NCCCSc1nccs1)C(=O)NCCCn1cc[nH+]c1 ZINC000774470763 962221685 /nfs/dbraw/zinc/22/16/85/962221685.db2.gz MVODYQZMGQWHFI-UHFFFAOYSA-N 1 2 353.473 1.145 20 10 FDCDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129632 965106059 /nfs/dbraw/zinc/10/60/59/965106059.db2.gz ABKODWUBAHWQSD-JEJOPICUSA-N 1 2 356.426 1.400 20 10 FDCDLO O=S1(=O)CCN(c2ccc(CNc3cc(NC4CC4)[nH+]cn3)cc2)CC1 ZINC000853792704 968325768 /nfs/dbraw/zinc/32/57/68/968325768.db2.gz BEXKHKCOJZHYIO-UHFFFAOYSA-N 1 2 373.482 1.898 20 10 FDCDLO O=S1(=O)CCN(c2ccc(CNc3cc(NC4CC4)nc[nH+]3)cc2)CC1 ZINC000853792704 968325772 /nfs/dbraw/zinc/32/57/72/968325772.db2.gz BEXKHKCOJZHYIO-UHFFFAOYSA-N 1 2 373.482 1.898 20 10 FDCDLO O=C(NCCCSc1nccs1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853856464 968374749 /nfs/dbraw/zinc/37/47/49/968374749.db2.gz ZHHNFZUMYCCPSI-CYBMUJFWSA-N 1 2 356.517 1.741 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C3(F)CCOCC3)CC2)cc1 ZINC000865032918 974027968 /nfs/dbraw/zinc/02/79/68/974027968.db2.gz GMEJQKHDWNYPDP-UHFFFAOYSA-N 1 2 365.449 1.452 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3coc(S(N)(=O)=O)c3)CC2)cc1 ZINC000851733529 979020944 /nfs/dbraw/zinc/02/09/44/979020944.db2.gz YEOCPGCVSWWPDW-UHFFFAOYSA-N 1 2 365.455 1.648 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3coc(S(N)(=O)=O)c3)CC2)cc1 ZINC000851733529 979020950 /nfs/dbraw/zinc/02/09/50/979020950.db2.gz YEOCPGCVSWWPDW-UHFFFAOYSA-N 1 2 365.455 1.648 20 10 FDCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000883144048 981978373 /nfs/dbraw/zinc/97/83/73/981978373.db2.gz CQDZQXCZIOMERD-SNVBAGLBSA-N 1 2 361.627 1.550 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000362793272 988731645 /nfs/dbraw/zinc/73/16/45/988731645.db2.gz ZBANJVGPGGSANO-SFHVURJKSA-N 1 2 368.481 1.971 20 10 FDCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000363068727 988895248 /nfs/dbraw/zinc/89/52/48/988895248.db2.gz PLWTYYNQLZTAGZ-DLGAGEGBSA-N 1 2 352.438 1.864 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCOC[C@H]3C3CC3)CC2)cc1 ZINC000367240008 988943103 /nfs/dbraw/zinc/94/31/03/988943103.db2.gz ILRUNSAYTFYMLC-IBGZPJMESA-N 1 2 359.470 1.455 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3coc(CO)c3)CC2)cc1 ZINC000874243127 989980245 /nfs/dbraw/zinc/98/02/45/989980245.db2.gz RARJZXAYCURCEA-UHFFFAOYSA-N 1 2 359.426 1.333 20 10 FDCDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876551275 992700089 /nfs/dbraw/zinc/70/00/89/992700089.db2.gz OIYPKMUABZHMKL-UHFFFAOYSA-N 1 2 365.455 1.812 20 10 FDCDLO COc1ccc(N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)c(OC)c1 ZINC000877227218 993117848 /nfs/dbraw/zinc/11/78/48/993117848.db2.gz FRTDBMCHTSRTNN-UHFFFAOYSA-N 1 2 371.441 1.035 20 10 FDCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000877667440 993426018 /nfs/dbraw/zinc/42/60/18/993426018.db2.gz GWZDIUWJLJDONC-VHSXEESVSA-N 1 2 367.037 1.767 20 10 FDCDLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000877790261 993515114 /nfs/dbraw/zinc/51/51/14/993515114.db2.gz FANLAAXISZOTII-HOTGVXAUSA-N 1 2 368.474 1.529 20 10 FDCDLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000877790261 993515121 /nfs/dbraw/zinc/51/51/21/993515121.db2.gz FANLAAXISZOTII-HOTGVXAUSA-N 1 2 368.474 1.529 20 10 FDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826510743 996808924 /nfs/dbraw/zinc/80/89/24/996808924.db2.gz IKCZNPHHBBOCSV-UHFFFAOYSA-N 1 2 355.377 1.429 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933668878 1005603873 /nfs/dbraw/zinc/60/38/73/1005603873.db2.gz ZBAGAOYNJVYKTR-HKUYNNGSSA-N 1 2 361.486 1.496 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933668878 1005603878 /nfs/dbraw/zinc/60/38/78/1005603878.db2.gz ZBAGAOYNJVYKTR-HKUYNNGSSA-N 1 2 361.486 1.496 20 10 FDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935310873 1005887711 /nfs/dbraw/zinc/88/77/11/1005887711.db2.gz NWDSUTIAMKQYQL-SIIHOXLZSA-N 1 2 364.442 1.025 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000175632448 524984184 /nfs/dbraw/zinc/98/41/84/524984184.db2.gz ZYWBFHATVCCYFS-KRWDZBQOSA-N 1 2 364.417 1.947 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000175632448 524984187 /nfs/dbraw/zinc/98/41/87/524984187.db2.gz ZYWBFHATVCCYFS-KRWDZBQOSA-N 1 2 364.417 1.947 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)CC2)cc1 ZINC000185109596 536198952 /nfs/dbraw/zinc/19/89/52/536198952.db2.gz AYQSZOIJFYCYRV-SGANQWHYSA-N 1 2 367.515 1.043 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)CC2)cc1 ZINC000185109596 536198953 /nfs/dbraw/zinc/19/89/53/536198953.db2.gz AYQSZOIJFYCYRV-SGANQWHYSA-N 1 2 367.515 1.043 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000267407963 536976410 /nfs/dbraw/zinc/97/64/10/536976410.db2.gz SNFBPFJOBAPBSK-LLVKDONJSA-N 1 2 360.863 1.749 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000267407963 536976414 /nfs/dbraw/zinc/97/64/14/536976414.db2.gz SNFBPFJOBAPBSK-LLVKDONJSA-N 1 2 360.863 1.749 20 10 FDCDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264574257 537145655 /nfs/dbraw/zinc/14/56/55/537145655.db2.gz SWXMEPIHYGNGAM-QPJJXVBHSA-N 1 2 359.470 1.327 20 10 FDCDLO Cc1cnc(N2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)s1 ZINC000265421364 537152930 /nfs/dbraw/zinc/15/29/30/537152930.db2.gz JDJHADIXFDZBKB-UHFFFAOYSA-N 1 2 373.526 1.956 20 10 FDCDLO CN(C)c1ccc(CN(C(=O)C(=O)NCc2[nH+]ccn2C)C2CC2)cc1 ZINC000286904733 537438491 /nfs/dbraw/zinc/43/84/91/537438491.db2.gz PFKCANJLMLYERT-UHFFFAOYSA-N 1 2 355.442 1.294 20 10 FDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCCCNC(C)=O)CC2)cc1 ZINC000362969552 537600532 /nfs/dbraw/zinc/60/05/32/537600532.db2.gz BJGHXFIPHZMSFX-UHFFFAOYSA-N 1 2 362.474 1.832 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368175834 537976004 /nfs/dbraw/zinc/97/60/04/537976004.db2.gz LKMRNRVZGHLLBB-HNNXBMFYSA-N 1 2 355.442 1.603 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368175834 537976008 /nfs/dbraw/zinc/97/60/08/537976008.db2.gz LKMRNRVZGHLLBB-HNNXBMFYSA-N 1 2 355.442 1.603 20 10 FDCDLO COc1cc(N2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)cc(OC)c1OC ZINC000273643112 674557778 /nfs/dbraw/zinc/55/77/78/674557778.db2.gz UVTNQTXYUUAOPN-CYBMUJFWSA-N 1 2 351.447 1.311 20 10 FDCDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000154102596 671915310 /nfs/dbraw/zinc/91/53/10/671915310.db2.gz DAQHWYWBYBXJFM-LLVKDONJSA-N 1 2 363.277 1.668 20 10 FDCDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000154102596 671915313 /nfs/dbraw/zinc/91/53/13/671915313.db2.gz DAQHWYWBYBXJFM-LLVKDONJSA-N 1 2 363.277 1.668 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292089280 676282847 /nfs/dbraw/zinc/28/28/47/676282847.db2.gz FHPSQPSBBRPLNW-ZDUSSCGKSA-N 1 2 360.863 1.714 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292089280 676282848 /nfs/dbraw/zinc/28/28/48/676282848.db2.gz FHPSQPSBBRPLNW-ZDUSSCGKSA-N 1 2 360.863 1.714 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364416241 795951737 /nfs/dbraw/zinc/95/17/37/795951737.db2.gz OOZDRQRGKRHECQ-QGZVFWFLSA-N 1 2 354.454 1.941 20 10 FDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000785304172 805315327 /nfs/dbraw/zinc/31/53/27/805315327.db2.gz NEQCQXGGQFMSCL-NSHDSACASA-N 1 2 354.366 1.431 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000729048414 810939097 /nfs/dbraw/zinc/93/90/97/810939097.db2.gz DMGXBKPYHJDOEF-ZDUSSCGKSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000729048414 810939101 /nfs/dbraw/zinc/93/91/01/810939101.db2.gz DMGXBKPYHJDOEF-ZDUSSCGKSA-N 1 2 351.447 1.872 20 10 FDCDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910931639 857880740 /nfs/dbraw/zinc/88/07/40/857880740.db2.gz PMIYWZZCGLFKOI-WDEREUQCSA-N 1 2 350.440 1.840 20 10 FDCDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910931639 857880744 /nfs/dbraw/zinc/88/07/44/857880744.db2.gz PMIYWZZCGLFKOI-WDEREUQCSA-N 1 2 350.440 1.840 20 10 FDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2nccnc2F)CC1 ZINC001089864406 896959247 /nfs/dbraw/zinc/95/92/47/896959247.db2.gz ZANOLQXFTZBCHQ-HUUCEWRRSA-N 1 2 370.432 1.796 20 10 FDCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000770666554 930172454 /nfs/dbraw/zinc/17/24/54/930172454.db2.gz ONIRXDOQOOQHGS-JKSUJKDBSA-N 1 2 372.421 1.433 20 10 FDCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000770666554 930172458 /nfs/dbraw/zinc/17/24/58/930172458.db2.gz ONIRXDOQOOQHGS-JKSUJKDBSA-N 1 2 372.421 1.433 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000807100652 940249395 /nfs/dbraw/zinc/24/93/95/940249395.db2.gz OFDOGYJTBJKNEB-GOSISDBHSA-N 1 2 369.469 1.737 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000813489889 941393586 /nfs/dbraw/zinc/39/35/86/941393586.db2.gz DVEKUFHILWUAJR-AWEZNQCLSA-N 1 2 360.414 1.211 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000813489889 941393588 /nfs/dbraw/zinc/39/35/88/941393588.db2.gz DVEKUFHILWUAJR-AWEZNQCLSA-N 1 2 360.414 1.211 20 10 FDCDLO Cc1cc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc(C)[nH+]1 ZINC000817811446 942964349 /nfs/dbraw/zinc/96/43/49/942964349.db2.gz KMAUWNMROKMFTJ-UHFFFAOYSA-N 1 2 358.417 1.836 20 10 FDCDLO COCn1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000824285211 946303280 /nfs/dbraw/zinc/30/32/80/946303280.db2.gz BIEUHPNZTQYOPG-UHFFFAOYSA-N 1 2 373.457 1.048 20 10 FDCDLO O=C1NCC2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)N1 ZINC001144308380 948621633 /nfs/dbraw/zinc/62/16/33/948621633.db2.gz XDRJOWQGYOKSDU-UHFFFAOYSA-N 1 2 358.211 1.941 20 10 FDCDLO COC(=O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCC[C@@H](OC)C1 ZINC000846109075 950509626 /nfs/dbraw/zinc/50/96/26/950509626.db2.gz RUZCSVKNDBLKGW-CJBNDPTMSA-N 1 2 351.399 1.957 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000846442546 951119744 /nfs/dbraw/zinc/11/97/44/951119744.db2.gz SJBJUVSALKROJQ-UHFFFAOYSA-N 1 2 361.486 1.845 20 10 FDCDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148591106 952761340 /nfs/dbraw/zinc/76/13/40/952761340.db2.gz UQDSTZYWJXZBAP-UHFFFAOYSA-N 1 2 369.377 1.987 20 10 FDCDLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715792443 958417585 /nfs/dbraw/zinc/41/75/85/958417585.db2.gz QEAPDNTVVXDWCZ-HQJQHLMTSA-N 1 2 352.225 1.817 20 10 FDCDLO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715829229 958482507 /nfs/dbraw/zinc/48/25/07/958482507.db2.gz UHSXISBRDNDRAX-QMMMGPOBSA-N 1 2 352.225 1.818 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CC4(C3)C[NH+](C)C4)cc12 ZINC001184361292 963541111 /nfs/dbraw/zinc/54/11/11/963541111.db2.gz OPFNLPKARHAJGK-UHFFFAOYSA-N 1 2 371.437 1.013 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CC4(C3)C[NH+](C)C4)cc12 ZINC001184361292 963541123 /nfs/dbraw/zinc/54/11/23/963541123.db2.gz OPFNLPKARHAJGK-UHFFFAOYSA-N 1 2 371.437 1.013 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000852266804 967172355 /nfs/dbraw/zinc/17/23/55/967172355.db2.gz UOCLUJYZXLFSHV-GJZGRUSLSA-N 1 2 355.442 1.785 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000852447997 967322012 /nfs/dbraw/zinc/32/20/12/967322012.db2.gz AGGDANAXRRHNFG-FUHWJXTLSA-N 1 2 374.485 1.390 20 10 FDCDLO COc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c(OC)c1 ZINC000864417246 973547044 /nfs/dbraw/zinc/54/70/44/973547044.db2.gz UVIZIRQWGLGQEA-UHFFFAOYSA-N 1 2 373.457 1.822 20 10 FDCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000106819044 975561298 /nfs/dbraw/zinc/56/12/98/975561298.db2.gz SIOFEDGYCWRGJS-OAHLLOKOSA-N 1 2 355.486 1.855 20 10 FDCDLO Cc1cc(NCCNC(=O)C(=O)Nc2ccc(N)cc2)nc(C(C)C)[nH+]1 ZINC000861517351 983759662 /nfs/dbraw/zinc/75/96/62/983759662.db2.gz KDIAQGIBHUDQLT-UHFFFAOYSA-N 1 2 356.430 1.657 20 10 FDCDLO C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CC[NH2+]CC1=O ZINC000876754257 992876406 /nfs/dbraw/zinc/87/64/06/992876406.db2.gz DOFAUKIXAXQBFU-INIZCTEOSA-N 1 2 358.486 1.359 20 10 FDCDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463606 994929783 /nfs/dbraw/zinc/92/97/83/994929783.db2.gz JKCGLDUDHOVZJN-OAHLLOKOSA-N 1 2 365.474 1.367 20 10 FDCDLO Cn1cnnc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826534537 996956881 /nfs/dbraw/zinc/95/68/81/996956881.db2.gz HGOVUVGYCNQEJA-UHFFFAOYSA-N 1 2 352.236 1.605 20 10 FDCDLO Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(O)c1O ZINC000267616035 999368869 /nfs/dbraw/zinc/36/88/69/999368869.db2.gz STLFOVMGJQWBJN-UHFFFAOYSA-N 1 2 361.442 1.177 20 10 FDCDLO Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(O)c1O ZINC000267616035 999368873 /nfs/dbraw/zinc/36/88/73/999368873.db2.gz STLFOVMGJQWBJN-UHFFFAOYSA-N 1 2 361.442 1.177 20 10 FDCDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271140941 999667240 /nfs/dbraw/zinc/66/72/40/999667240.db2.gz CZSPSZQJIWMMCG-UHFFFAOYSA-N 1 2 356.378 1.785 20 10 FDCDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000284154820 999778321 /nfs/dbraw/zinc/77/83/21/999778321.db2.gz QNSHQLAGGORRAA-YSDNAHFUSA-N 1 2 371.481 1.468 20 10 FDCDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000284154820 999778323 /nfs/dbraw/zinc/77/83/23/999778323.db2.gz QNSHQLAGGORRAA-YSDNAHFUSA-N 1 2 371.481 1.468 20 10 FDCDLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCc2ccccc2O)CCC(=O)N1C1CC1 ZINC000284969651 999889126 /nfs/dbraw/zinc/88/91/26/999889126.db2.gz YCQNSIKPFMUASI-DNVCBOLYSA-N 1 2 368.437 1.884 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@H]3CN=C(c4cnn(C)c4)O3)CC2)cc1F ZINC000929823952 1002493367 /nfs/dbraw/zinc/49/33/67/1002493367.db2.gz VLVCSIJAIQUOOQ-MRXNPFEDSA-N 1 2 373.432 1.535 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000078504212 523592891 /nfs/dbraw/zinc/59/28/91/523592891.db2.gz QNVBMLMXPDQPMI-UHFFFAOYSA-N 1 2 368.481 1.897 20 10 FDCDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022604 524386614 /nfs/dbraw/zinc/38/66/14/524386614.db2.gz ASQIMBAOEPSWSR-FZMZJTMJSA-N 1 2 374.890 1.559 20 10 FDCDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022604 524386620 /nfs/dbraw/zinc/38/66/20/524386620.db2.gz ASQIMBAOEPSWSR-FZMZJTMJSA-N 1 2 374.890 1.559 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)CC2)cc1 ZINC000173465336 524397613 /nfs/dbraw/zinc/39/76/13/524397613.db2.gz QTEQOBKJOZFUPF-GOSISDBHSA-N 1 2 369.469 1.665 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160119995 524814614 /nfs/dbraw/zinc/81/46/14/524814614.db2.gz VTDVHIHKQXRQNP-HNNXBMFYSA-N 1 2 358.417 1.738 20 10 FDCDLO COCCCS(=O)(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092062625 524836837 /nfs/dbraw/zinc/83/68/37/524836837.db2.gz ZSTKMLCPJFFYMZ-UHFFFAOYSA-N 1 2 355.504 1.237 20 10 FDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1O ZINC000131173961 525831555 /nfs/dbraw/zinc/83/15/55/525831555.db2.gz JWPKQPYGDYDCOS-KRWDZBQOSA-N 1 2 363.433 1.648 20 10 FDCDLO CNC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000182458588 526179669 /nfs/dbraw/zinc/17/96/69/526179669.db2.gz YTHYSBLXWUAJEU-LBPRGKRZSA-N 1 2 359.220 1.110 20 10 FDCDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000182458588 526179678 /nfs/dbraw/zinc/17/96/78/526179678.db2.gz YTHYSBLXWUAJEU-LBPRGKRZSA-N 1 2 359.220 1.110 20 10 FDCDLO CCCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000109771464 526180390 /nfs/dbraw/zinc/18/03/90/526180390.db2.gz UJBRRSGXIORGFU-HOCLYGCPSA-N 1 2 368.499 1.638 20 10 FDCDLO CCCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000109771464 526180401 /nfs/dbraw/zinc/18/04/01/526180401.db2.gz UJBRRSGXIORGFU-HOCLYGCPSA-N 1 2 368.499 1.638 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000283971257 537399496 /nfs/dbraw/zinc/39/94/96/537399496.db2.gz OVJVLEFSNCOESX-HNNXBMFYSA-N 1 2 369.469 1.645 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C(C)C ZINC000299134991 537452078 /nfs/dbraw/zinc/45/20/78/537452078.db2.gz OGOXDURQTIMTGM-UHFFFAOYSA-N 1 2 364.402 1.385 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C(C)C ZINC000299134991 537452081 /nfs/dbraw/zinc/45/20/81/537452081.db2.gz OGOXDURQTIMTGM-UHFFFAOYSA-N 1 2 364.402 1.385 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC(=O)OC)[C@H](C)CC)cc2=O ZINC000281226633 537517144 /nfs/dbraw/zinc/51/71/44/537517144.db2.gz FDEXKVIQNZMUMQ-LLVKDONJSA-N 1 2 364.402 1.385 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC(=O)OC)[C@H](C)CC)cc2=O ZINC000281226633 537517150 /nfs/dbraw/zinc/51/71/50/537517150.db2.gz FDEXKVIQNZMUMQ-LLVKDONJSA-N 1 2 364.402 1.385 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](F)C(F)(F)F)CC2)cc1 ZINC000291414112 537587082 /nfs/dbraw/zinc/58/70/82/537587082.db2.gz XGHNUIFGFVLIAR-AWEZNQCLSA-N 1 2 363.355 1.834 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000291414112 537587089 /nfs/dbraw/zinc/58/70/89/537587089.db2.gz XGHNUIFGFVLIAR-AWEZNQCLSA-N 1 2 363.355 1.834 20 10 FDCDLO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368037190 537973675 /nfs/dbraw/zinc/97/36/75/537973675.db2.gz BRLQEFHFWMLKCI-INIZCTEOSA-N 1 2 359.470 1.933 20 10 FDCDLO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368037190 537973682 /nfs/dbraw/zinc/97/36/82/537973682.db2.gz BRLQEFHFWMLKCI-INIZCTEOSA-N 1 2 359.470 1.933 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368628144 537984699 /nfs/dbraw/zinc/98/46/99/537984699.db2.gz ZONXHPPSNBJKIE-INIZCTEOSA-N 1 2 358.486 1.882 20 10 FDCDLO C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000372616075 537989806 /nfs/dbraw/zinc/98/98/06/537989806.db2.gz DPTSSCVEYVZKKO-KBPBESRZSA-N 1 2 355.429 1.728 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000377760958 538015774 /nfs/dbraw/zinc/01/57/74/538015774.db2.gz OOVVZAZQMIITHU-UHFFFAOYSA-N 1 2 373.450 1.048 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000377760958 538015779 /nfs/dbraw/zinc/01/57/79/538015779.db2.gz OOVVZAZQMIITHU-UHFFFAOYSA-N 1 2 373.450 1.048 20 10 FDCDLO COC(=O)c1c(C[N@@H+]2CCN3CCOC[C@H]3C2)c2cc(F)ccc2n1C ZINC000894456228 818078200 /nfs/dbraw/zinc/07/82/00/818078200.db2.gz PPNKKVRPAHTACH-CQSZACIVSA-N 1 2 361.417 1.620 20 10 FDCDLO COC(=O)c1c(C[N@H+]2CCN3CCOC[C@H]3C2)c2cc(F)ccc2n1C ZINC000894456228 818078208 /nfs/dbraw/zinc/07/82/08/818078208.db2.gz PPNKKVRPAHTACH-CQSZACIVSA-N 1 2 361.417 1.620 20 10 FDCDLO COC(=O)c1c(C[NH2+][C@H](C)C2N=NC(=O)N2C)c2cc(F)ccc2n1C ZINC000895171278 821372837 /nfs/dbraw/zinc/37/28/37/821372837.db2.gz NBRNZPBAJXHUIX-SECBINFHSA-N 1 2 361.377 1.789 20 10 FDCDLO COC(=O)c1c(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)c2cc(F)ccc2n1C ZINC000895984674 823902136 /nfs/dbraw/zinc/90/21/36/823902136.db2.gz IHKFACBQPWCEOV-AWEZNQCLSA-N 1 2 368.430 1.769 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(F)n3)CC2)cc1 ZINC000764232979 904125505 /nfs/dbraw/zinc/12/55/05/904125505.db2.gz CJYHCQGNRJXVCU-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO COC(=O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCC[C@H](OC)C1 ZINC000846109074 950509311 /nfs/dbraw/zinc/50/93/11/950509311.db2.gz RUZCSVKNDBLKGW-BTJLNZGRSA-N 1 2 351.399 1.957 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3nccn3C)cc12 ZINC001184354618 963558676 /nfs/dbraw/zinc/55/86/76/963558676.db2.gz IIJGFKCYFCIWDX-UHFFFAOYSA-N 1 2 356.382 1.611 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3nccn3C)cc12 ZINC001184354618 963558686 /nfs/dbraw/zinc/55/86/86/963558686.db2.gz IIJGFKCYFCIWDX-UHFFFAOYSA-N 1 2 356.382 1.611 20 10 FDCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000775100000 965079029 /nfs/dbraw/zinc/07/90/29/965079029.db2.gz QISXUBQHJVXHGV-UHFFFAOYSA-N 1 2 357.458 1.504 20 10 FDCDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(O)c(O)c(Cl)c1 ZINC001193605986 969790641 /nfs/dbraw/zinc/79/06/41/969790641.db2.gz PQSQRTVLPLCGAU-UHFFFAOYSA-N 1 2 366.805 1.532 20 10 FDCDLO C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000865019519 974019258 /nfs/dbraw/zinc/01/92/58/974019258.db2.gz SBMNWFJKGPTENA-YATRRXNKSA-N 1 2 359.470 1.589 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3nnc(C4CC4)o3)CC2)cc1 ZINC000865919069 974570407 /nfs/dbraw/zinc/57/04/07/974570407.db2.gz UAFVGTOWNGRLQG-UHFFFAOYSA-N 1 2 371.441 1.508 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@H](C)O)[nH+]cn3)CC2)c(OC)c1 ZINC000866139515 975428606 /nfs/dbraw/zinc/42/86/06/975428606.db2.gz WPLOTLXOPCUXES-AWEZNQCLSA-N 1 2 373.457 1.613 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@H](C)O)nc[nH+]3)CC2)c(OC)c1 ZINC000866139515 975428612 /nfs/dbraw/zinc/42/86/12/975428612.db2.gz WPLOTLXOPCUXES-AWEZNQCLSA-N 1 2 373.457 1.613 20 10 FDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000016878639 977110438 /nfs/dbraw/zinc/11/04/38/977110438.db2.gz JSLJMQJMNFLSDD-FQEVSTJZSA-N 1 2 372.469 1.633 20 10 FDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000016878639 977110450 /nfs/dbraw/zinc/11/04/50/977110450.db2.gz JSLJMQJMNFLSDD-FQEVSTJZSA-N 1 2 372.469 1.633 20 10 FDCDLO COCCNC(=O)C1([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883145233 981979002 /nfs/dbraw/zinc/97/90/02/981979002.db2.gz SKDBCLIXFBGBKU-UHFFFAOYSA-N 1 2 361.211 1.679 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000862755675 984522005 /nfs/dbraw/zinc/52/20/05/984522005.db2.gz JSEVCAPCSMWGCJ-MRXNPFEDSA-N 1 2 358.442 1.814 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000862755675 984522012 /nfs/dbraw/zinc/52/20/12/984522012.db2.gz JSEVCAPCSMWGCJ-MRXNPFEDSA-N 1 2 358.442 1.814 20 10 FDCDLO COc1ccc(N2CCN(C(=O)NCCc3cn(C)c[nH+]3)CC2)c(OC)c1 ZINC000868693035 984550574 /nfs/dbraw/zinc/55/05/74/984550574.db2.gz LBXRDFXONYLQSF-UHFFFAOYSA-N 1 2 373.457 1.512 20 10 FDCDLO COc1ccc(N2CCC(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)CC2)cc1 ZINC000875210098 991086918 /nfs/dbraw/zinc/08/69/18/991086918.db2.gz FAQSGSFAQPEZTO-HNNXBMFYSA-N 1 2 355.442 1.785 20 10 FDCDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271086025 999658970 /nfs/dbraw/zinc/65/89/70/999658970.db2.gz CGPJOWZXUFJWHW-UHFFFAOYSA-N 1 2 356.378 1.785 20 10 FDCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287360523 999956807 /nfs/dbraw/zinc/95/68/07/999956807.db2.gz YFCCCZYYAIGNBH-ZBFHGGJFSA-N 1 2 364.465 1.896 20 10 FDCDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288528663 1000024318 /nfs/dbraw/zinc/02/43/18/1000024318.db2.gz KUWVQSMXKGTFJJ-UHFFFAOYSA-N 1 2 367.453 1.424 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000932437250 1004958147 /nfs/dbraw/zinc/95/81/47/1004958147.db2.gz LQOSIRVTVKTCPN-QGZVFWFLSA-N 1 2 360.502 1.748 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000932437250 1004958152 /nfs/dbraw/zinc/95/81/52/1004958152.db2.gz LQOSIRVTVKTCPN-QGZVFWFLSA-N 1 2 360.502 1.748 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@@]1(C)C1CC1)cc2=O ZINC000934478808 1005750129 /nfs/dbraw/zinc/75/01/29/1005750129.db2.gz YFZBHIVKSGGBLF-SFHVURJKSA-N 1 2 360.414 1.613 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@@]1(C)C1CC1)cc2=O ZINC000934478808 1005750132 /nfs/dbraw/zinc/75/01/32/1005750132.db2.gz YFZBHIVKSGGBLF-SFHVURJKSA-N 1 2 360.414 1.613 20 10 FDCDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022300 524386994 /nfs/dbraw/zinc/38/69/94/524386994.db2.gz ASQIMBAOEPSWSR-SMDDNHRTSA-N 1 2 374.890 1.559 20 10 FDCDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022300 524387000 /nfs/dbraw/zinc/38/70/00/524387000.db2.gz ASQIMBAOEPSWSR-SMDDNHRTSA-N 1 2 374.890 1.559 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160119865 524814785 /nfs/dbraw/zinc/81/47/85/524814785.db2.gz VTDVHIHKQXRQNP-OAHLLOKOSA-N 1 2 358.417 1.738 20 10 FDCDLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000131589248 525876909 /nfs/dbraw/zinc/87/69/09/525876909.db2.gz ZFKCLZFQFPNCOW-ZFWWWQNUSA-N 1 2 354.472 1.248 20 10 FDCDLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000131589248 525876914 /nfs/dbraw/zinc/87/69/14/525876914.db2.gz ZFKCLZFQFPNCOW-ZFWWWQNUSA-N 1 2 354.472 1.248 20 10 FDCDLO Cn1ncc2c1nc(NCc1ccc(N3CCC(O)CC3)c(F)c1)[nH+]c2N ZINC000276153262 537306682 /nfs/dbraw/zinc/30/66/82/537306682.db2.gz JFJAKVUQFWPRIG-UHFFFAOYSA-N 1 2 371.420 1.658 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000279531816 537348113 /nfs/dbraw/zinc/34/81/13/537348113.db2.gz QGQZLQOTNXZBOO-CQSZACIVSA-N 1 2 352.454 1.754 20 10 FDCDLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2cccc(O)c2O)CC1 ZINC000280373051 537405098 /nfs/dbraw/zinc/40/50/98/537405098.db2.gz CWGFCDMVVDRNFC-UHFFFAOYSA-N 1 2 370.409 1.125 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@H](C)O)[nH+]cn3)CC2)cc1F ZINC000299157589 537458360 /nfs/dbraw/zinc/45/83/60/537458360.db2.gz ZGWXIMJQYNUZTB-ZDUSSCGKSA-N 1 2 361.421 1.744 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@H](C)O)nc[nH+]3)CC2)cc1F ZINC000299157589 537458368 /nfs/dbraw/zinc/45/83/68/537458368.db2.gz ZGWXIMJQYNUZTB-ZDUSSCGKSA-N 1 2 361.421 1.744 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000299242743 537504405 /nfs/dbraw/zinc/50/44/05/537504405.db2.gz KDPWBCMDXDNIPB-GOEBONIOSA-N 1 2 359.392 1.756 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000299242743 537504411 /nfs/dbraw/zinc/50/44/11/537504411.db2.gz KDPWBCMDXDNIPB-GOEBONIOSA-N 1 2 359.392 1.756 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCn2c[nH+]cc2C1 ZINC000291406649 537582414 /nfs/dbraw/zinc/58/24/14/537582414.db2.gz XOSSWACQXOLOPX-UHFFFAOYSA-N 1 2 373.432 1.709 20 10 FDCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376198693 537845520 /nfs/dbraw/zinc/84/55/20/537845520.db2.gz KPXCIQZUXYVMTR-NWDGAFQWSA-N 1 2 362.386 1.225 20 10 FDCDLO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2COCC[N@@H+]2C)CCCC1 ZINC000628913228 557703823 /nfs/dbraw/zinc/70/38/23/557703823.db2.gz NQHFNKIYHYVSGG-OAHLLOKOSA-N 1 2 371.481 1.976 20 10 FDCDLO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2COCC[N@H+]2C)CCCC1 ZINC000628913228 557703825 /nfs/dbraw/zinc/70/38/25/557703825.db2.gz NQHFNKIYHYVSGG-OAHLLOKOSA-N 1 2 371.481 1.976 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1OC ZINC000290738667 676228208 /nfs/dbraw/zinc/22/82/08/676228208.db2.gz BOKVYCRCCRLVHY-CHWSQXEVSA-N 1 2 351.403 1.911 20 10 FDCDLO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1O ZINC000281431728 675519076 /nfs/dbraw/zinc/51/90/76/675519076.db2.gz ZQZJMHKMMPEJFX-UHFFFAOYSA-N 1 2 355.866 1.268 20 10 FDCDLO Fc1cc(CNc2cc(N3CCOCC3)nc[nH+]2)ccc1N1CCOCC1 ZINC000277435092 781891327 /nfs/dbraw/zinc/89/13/27/781891327.db2.gz MEERHEASAJQNND-UHFFFAOYSA-N 1 2 373.432 1.901 20 10 FDCDLO Fc1cc(CNc2cc(N3CCOCC3)[nH+]cn2)ccc1N1CCOCC1 ZINC000277435092 781891338 /nfs/dbraw/zinc/89/13/38/781891338.db2.gz MEERHEASAJQNND-UHFFFAOYSA-N 1 2 373.432 1.901 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000728609679 785076871 /nfs/dbraw/zinc/07/68/71/785076871.db2.gz OMSKAJVQHLBJON-ZDUSSCGKSA-N 1 2 364.427 1.438 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000279442252 808997354 /nfs/dbraw/zinc/99/73/54/808997354.db2.gz ZWSPWMRALVSJTG-KRZKXXONSA-N 1 2 373.497 1.716 20 10 FDCDLO CCN(CC)c1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1F ZINC000897283268 827703190 /nfs/dbraw/zinc/70/31/90/827703190.db2.gz HQVOWQYOYLQTQU-AWEZNQCLSA-N 1 2 356.467 1.006 20 10 FDCDLO CCN(CC)c1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1F ZINC000897283268 827703194 /nfs/dbraw/zinc/70/31/94/827703194.db2.gz HQVOWQYOYLQTQU-AWEZNQCLSA-N 1 2 356.467 1.006 20 10 FDCDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(C)n1-c1ccccn1 ZINC000913443849 862121819 /nfs/dbraw/zinc/12/18/19/862121819.db2.gz VIUXHPUWQVGDNA-QGZVFWFLSA-N 1 2 350.426 1.999 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)/C=C(/C)C[NH+]3CCOCC3)C2)cc1 ZINC000911276991 858396835 /nfs/dbraw/zinc/39/68/35/858396835.db2.gz QHKABTXODUKOMC-FDWYHIAWSA-N 1 2 373.497 1.916 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000785434545 907507081 /nfs/dbraw/zinc/50/70/81/907507081.db2.gz UTFDBKNQZNIHBX-MRXNPFEDSA-N 1 2 369.469 1.509 20 10 FDCDLO CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnnn3-c3ccc(OC)cc3)[C@H]2C1 ZINC001084876626 917913267 /nfs/dbraw/zinc/91/32/67/917913267.db2.gz IPCIZSZICLLFKZ-PBHICJAKSA-N 1 2 370.457 1.504 20 10 FDCDLO CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnnn3-c3ccc(OC)cc3)[C@H]2C1 ZINC001084876626 917913268 /nfs/dbraw/zinc/91/32/68/917913268.db2.gz IPCIZSZICLLFKZ-PBHICJAKSA-N 1 2 370.457 1.504 20 10 FDCDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCOCC1 ZINC000789582378 933095127 /nfs/dbraw/zinc/09/51/27/933095127.db2.gz QGKYJVPVHZAPSE-QGZVFWFLSA-N 1 2 353.415 1.857 20 10 FDCDLO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000809763722 940895801 /nfs/dbraw/zinc/89/58/01/940895801.db2.gz QHIRNNKGVNYOAR-CYBMUJFWSA-N 1 2 359.444 1.045 20 10 FDCDLO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000809763722 940895805 /nfs/dbraw/zinc/89/58/05/940895805.db2.gz QHIRNNKGVNYOAR-CYBMUJFWSA-N 1 2 359.444 1.045 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816825712 942357128 /nfs/dbraw/zinc/35/71/28/942357128.db2.gz LIBHOGGCCWMQBP-KRWDZBQOSA-N 1 2 354.454 1.941 20 10 FDCDLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000817862559 943050427 /nfs/dbraw/zinc/05/04/27/943050427.db2.gz VCUVMGRGDDPWOE-INIZCTEOSA-N 1 2 360.502 1.272 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000825279967 947103583 /nfs/dbraw/zinc/10/35/83/947103583.db2.gz VRBMZYLWGVWXSH-GFCCVEGCSA-N 1 2 352.391 1.545 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000825279967 947103591 /nfs/dbraw/zinc/10/35/91/947103591.db2.gz VRBMZYLWGVWXSH-GFCCVEGCSA-N 1 2 352.391 1.545 20 10 FDCDLO O=C1COCC2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)N1 ZINC001144292360 948572266 /nfs/dbraw/zinc/57/22/66/948572266.db2.gz CSAPTDPOVSMIMR-UHFFFAOYSA-N 1 2 373.222 1.775 20 10 FDCDLO CS(=O)(=O)NCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715826488 958480509 /nfs/dbraw/zinc/48/05/09/958480509.db2.gz IEORORNFRFGKLP-UHFFFAOYSA-N 1 2 355.229 1.323 20 10 FDCDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715813121 958480765 /nfs/dbraw/zinc/48/07/65/958480765.db2.gz MCQUYWQITRLGCK-MNOVXSKESA-N 1 2 368.224 1.195 20 10 FDCDLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2ccc(O)c(O)c2)cc[nH+]1 ZINC001181130855 960603938 /nfs/dbraw/zinc/60/39/38/960603938.db2.gz QNIHGFSJBVMXFD-UONOGXRCSA-N 1 2 358.398 1.125 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3CCOC[C@@H]3C)cc12 ZINC001184361103 963542054 /nfs/dbraw/zinc/54/20/54/963542054.db2.gz VOKZWMZZNBATME-XJKSGUPXSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3CCOC[C@@H]3C)cc12 ZINC001184361103 963542058 /nfs/dbraw/zinc/54/20/58/963542058.db2.gz VOKZWMZZNBATME-XJKSGUPXSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@H]3CC(C)(C)O3)cc12 ZINC001184362160 963543033 /nfs/dbraw/zinc/54/30/33/963543033.db2.gz NGOAMXHALHBZNC-CQSZACIVSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@H]3CC(C)(C)O3)cc12 ZINC001184362160 963543039 /nfs/dbraw/zinc/54/30/39/963543039.db2.gz NGOAMXHALHBZNC-CQSZACIVSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3cccnn3)cc12 ZINC001184362316 963543980 /nfs/dbraw/zinc/54/39/80/963543980.db2.gz PLGOTKUWOKJGJA-UHFFFAOYSA-N 1 2 368.393 1.345 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3cccnn3)cc12 ZINC001184362316 963543985 /nfs/dbraw/zinc/54/39/85/963543985.db2.gz PLGOTKUWOKJGJA-UHFFFAOYSA-N 1 2 368.393 1.345 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062508 964883703 /nfs/dbraw/zinc/88/37/03/964883703.db2.gz AMQBVCMTWSMTNE-LBPRGKRZSA-N 1 2 350.375 1.345 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062508 964883720 /nfs/dbraw/zinc/88/37/20/964883720.db2.gz AMQBVCMTWSMTNE-LBPRGKRZSA-N 1 2 350.375 1.345 20 10 FDCDLO COc1cc(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cc[nH+]1 ZINC001179687037 964943841 /nfs/dbraw/zinc/94/38/41/964943841.db2.gz LJOKVKCIBHWGHZ-HWKANZROSA-N 1 2 355.394 1.863 20 10 FDCDLO COc1cc(C(=O)N2CCc3c(C[N@H+](C)C(C)C)n[nH]c3C2)cc(O)c1O ZINC001193088303 969458644 /nfs/dbraw/zinc/45/86/44/969458644.db2.gz CUBZSNRVZCPINI-UHFFFAOYSA-N 1 2 374.441 1.868 20 10 FDCDLO COc1cc(C(=O)N2CCc3c(C[N@@H+](C)C(C)C)n[nH]c3C2)cc(O)c1O ZINC001193088303 969458649 /nfs/dbraw/zinc/45/86/49/969458649.db2.gz CUBZSNRVZCPINI-UHFFFAOYSA-N 1 2 374.441 1.868 20 10 FDCDLO COC(=O)CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Cl)ccc1O ZINC000775982248 974334646 /nfs/dbraw/zinc/33/46/46/974334646.db2.gz UZKMFDFHPSTFLB-IYBDPMFKSA-N 1 2 368.861 1.884 20 10 FDCDLO COC(=O)CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Cl)ccc1O ZINC000775982248 974334654 /nfs/dbraw/zinc/33/46/54/974334654.db2.gz UZKMFDFHPSTFLB-IYBDPMFKSA-N 1 2 368.861 1.884 20 10 FDCDLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1O ZINC000868232886 977369648 /nfs/dbraw/zinc/36/96/48/977369648.db2.gz UCBKBBGRGHEPMC-ZDUSSCGKSA-N 1 2 369.487 1.261 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)Cn2cc(Cn3cc[nH+]c3)nn2)cc1 ZINC000881084633 979646605 /nfs/dbraw/zinc/64/66/05/979646605.db2.gz XOZZVJHAKBNHID-UHFFFAOYSA-N 1 2 353.430 1.248 20 10 FDCDLO CCNC(=O)CN1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862217790 984258527 /nfs/dbraw/zinc/25/85/27/984258527.db2.gz SHGWHISXJSLKPK-UHFFFAOYSA-N 1 2 356.264 1.408 20 10 FDCDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cccc(O)c3O)CC2)no1 ZINC000369879241 989266837 /nfs/dbraw/zinc/26/68/37/989266837.db2.gz YBLRYUYLSSRKFR-CYBMUJFWSA-N 1 2 360.414 1.916 20 10 FDCDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cccc(O)c3O)CC2)no1 ZINC000369879241 989266848 /nfs/dbraw/zinc/26/68/48/989266848.db2.gz YBLRYUYLSSRKFR-CYBMUJFWSA-N 1 2 360.414 1.916 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875119059 990921267 /nfs/dbraw/zinc/92/12/67/990921267.db2.gz YQUFNMSYODHZCS-AWEZNQCLSA-N 1 2 373.432 1.407 20 10 FDCDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373370235 992185204 /nfs/dbraw/zinc/18/52/04/992185204.db2.gz PKXDKLAFROFXKZ-KRWDZBQOSA-N 1 2 371.529 1.797 20 10 FDCDLO C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CC[NH2+]CC1=O ZINC000876503364 992670992 /nfs/dbraw/zinc/67/09/92/992670992.db2.gz HQJXSUVOAFLCML-MRXNPFEDSA-N 1 2 358.486 1.456 20 10 FDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876762463 992884345 /nfs/dbraw/zinc/88/43/45/992884345.db2.gz GUPFJGKRYVNPFD-RUZDIDTESA-N 1 2 365.543 1.144 20 10 FDCDLO Cc1cc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000826075386 994271887 /nfs/dbraw/zinc/27/18/87/994271887.db2.gz UIFIXYGGCYANBD-UHFFFAOYSA-N 1 2 368.481 1.656 20 10 FDCDLO Cc1cc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000826075386 994271902 /nfs/dbraw/zinc/27/19/02/994271902.db2.gz UIFIXYGGCYANBD-UHFFFAOYSA-N 1 2 368.481 1.656 20 10 FDCDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000826131710 995380570 /nfs/dbraw/zinc/38/05/70/995380570.db2.gz XZUOPVKLYMXCKM-GFCCVEGCSA-N 1 2 371.231 1.408 20 10 FDCDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000826131710 995380579 /nfs/dbraw/zinc/38/05/79/995380579.db2.gz XZUOPVKLYMXCKM-GFCCVEGCSA-N 1 2 371.231 1.408 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283996016 999765685 /nfs/dbraw/zinc/76/56/85/999765685.db2.gz PYAANDCWQVCKDK-HNNXBMFYSA-N 1 2 357.458 1.503 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CN=C(c4cnn(C)c4)O3)CC2)cc1F ZINC000929823948 1002493580 /nfs/dbraw/zinc/49/35/80/1002493580.db2.gz VLVCSIJAIQUOOQ-INIZCTEOSA-N 1 2 373.432 1.535 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000038425538 519634251 /nfs/dbraw/zinc/63/42/51/519634251.db2.gz ITOCMKHVVFIFSG-UHFFFAOYSA-N 1 2 374.363 1.205 20 10 FDCDLO Cc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)n1-c1ccccn1 ZINC000063759421 522642625 /nfs/dbraw/zinc/64/26/25/522642625.db2.gz IESCYKJPAMVWMQ-UHFFFAOYSA-N 1 2 355.442 1.122 20 10 FDCDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)n1-c1ccccn1 ZINC000063759421 522642632 /nfs/dbraw/zinc/64/26/32/522642632.db2.gz IESCYKJPAMVWMQ-UHFFFAOYSA-N 1 2 355.442 1.122 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000079399436 523746355 /nfs/dbraw/zinc/74/63/55/523746355.db2.gz PLKUAFIRHIDGDS-UHFFFAOYSA-N 1 2 351.422 1.330 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000079399436 523746360 /nfs/dbraw/zinc/74/63/60/523746360.db2.gz PLKUAFIRHIDGDS-UHFFFAOYSA-N 1 2 351.422 1.330 20 10 FDCDLO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)c1O ZINC000079399436 523746366 /nfs/dbraw/zinc/74/63/66/523746366.db2.gz PLKUAFIRHIDGDS-UHFFFAOYSA-N 1 2 351.422 1.330 20 10 FDCDLO CC(=O)c1cc(F)cc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)c1O ZINC000079399436 523746367 /nfs/dbraw/zinc/74/63/67/523746367.db2.gz PLKUAFIRHIDGDS-UHFFFAOYSA-N 1 2 351.422 1.330 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1F ZINC000122047906 524440011 /nfs/dbraw/zinc/44/00/11/524440011.db2.gz XJXLRMLOHIPBIC-QGZVFWFLSA-N 1 2 373.432 1.495 20 10 FDCDLO CN(C)c1ccc(CNC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161218543 525058401 /nfs/dbraw/zinc/05/84/01/525058401.db2.gz TYEWZZQDYFICFC-UHFFFAOYSA-N 1 2 367.497 1.582 20 10 FDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1O ZINC000177270251 525268350 /nfs/dbraw/zinc/26/83/50/525268350.db2.gz XTXYWMGIHKVGOT-UHFFFAOYSA-N 1 2 372.400 1.550 20 10 FDCDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000189453135 537048786 /nfs/dbraw/zinc/04/87/86/537048786.db2.gz GTYUZUUILCRYNZ-HNNXBMFYSA-N 1 2 361.408 1.956 20 10 FDCDLO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000189453135 537048790 /nfs/dbraw/zinc/04/87/90/537048790.db2.gz GTYUZUUILCRYNZ-HNNXBMFYSA-N 1 2 361.408 1.956 20 10 FDCDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NCc3ccccc3O)c2)CC1 ZINC000285675382 537744952 /nfs/dbraw/zinc/74/49/52/537744952.db2.gz UNDFBFFSGVNVIS-UHFFFAOYSA-N 1 2 361.467 1.940 20 10 FDCDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000366923436 537892819 /nfs/dbraw/zinc/89/28/19/537892819.db2.gz DSCOKVZZZFSYKJ-UHFFFAOYSA-N 1 2 350.415 1.998 20 10 FDCDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000366923436 537892824 /nfs/dbraw/zinc/89/28/24/537892824.db2.gz DSCOKVZZZFSYKJ-UHFFFAOYSA-N 1 2 350.415 1.998 20 10 FDCDLO OCC[NH+](CCO)Cc1cc(Br)cc(Br)c1O ZINC000144333175 671852045 /nfs/dbraw/zinc/85/20/45/671852045.db2.gz ZYEPPKHQOGNZRL-UHFFFAOYSA-N 1 2 369.053 1.704 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000368285101 677499172 /nfs/dbraw/zinc/49/91/72/677499172.db2.gz SMKYOTVLTGKLAD-CYBMUJFWSA-N 1 2 357.248 1.680 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000368285101 677499174 /nfs/dbraw/zinc/49/91/74/677499174.db2.gz SMKYOTVLTGKLAD-CYBMUJFWSA-N 1 2 357.248 1.680 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3c4c(nn3C)CCOC4)CC2)cc1F ZINC000892221881 782321923 /nfs/dbraw/zinc/32/19/23/782321923.db2.gz IHNBWVWVJCRGSZ-UHFFFAOYSA-N 1 2 360.433 1.963 20 10 FDCDLO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895688445 822699219 /nfs/dbraw/zinc/69/92/19/822699219.db2.gz QZZNVTFQFZBLPI-INIZCTEOSA-N 1 2 353.894 1.932 20 10 FDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000729600574 832285682 /nfs/dbraw/zinc/28/56/82/832285682.db2.gz STHPXIHSERMQLH-INIZCTEOSA-N 1 2 362.474 1.043 20 10 FDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000729600574 832285691 /nfs/dbraw/zinc/28/56/91/832285691.db2.gz STHPXIHSERMQLH-INIZCTEOSA-N 1 2 362.474 1.043 20 10 FDCDLO CC(=O)N1CCO[C@]2(C1)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520624 840455487 /nfs/dbraw/zinc/45/54/87/840455487.db2.gz MNESFVUOBVMEEO-QGZVFWFLSA-N 1 2 356.369 1.120 20 10 FDCDLO CC(=O)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520624 840455501 /nfs/dbraw/zinc/45/55/01/840455501.db2.gz MNESFVUOBVMEEO-QGZVFWFLSA-N 1 2 356.369 1.120 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(-c3ccn(C)n3)nn2)cc1 ZINC000906316423 852786982 /nfs/dbraw/zinc/78/69/82/852786982.db2.gz KGZXZJKEJMGIFS-UHFFFAOYSA-N 1 2 355.446 1.578 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(-c3ccn(C)n3)nn2)cc1 ZINC000906316423 852786988 /nfs/dbraw/zinc/78/69/88/852786988.db2.gz KGZXZJKEJMGIFS-UHFFFAOYSA-N 1 2 355.446 1.578 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168744625 881546277 /nfs/dbraw/zinc/54/62/77/881546277.db2.gz ADSSNFBFLSAPMI-BIWSTMPVSA-N 1 2 365.426 1.893 20 10 FDCDLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169177 875327202 /nfs/dbraw/zinc/32/72/02/875327202.db2.gz JTXTVLUIZFJLKJ-IAQYHMDHSA-N 1 2 367.833 1.529 20 10 FDCDLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169177 875327212 /nfs/dbraw/zinc/32/72/12/875327212.db2.gz JTXTVLUIZFJLKJ-IAQYHMDHSA-N 1 2 367.833 1.529 20 10 FDCDLO C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804149282 886572105 /nfs/dbraw/zinc/57/21/05/886572105.db2.gz ZFSWDQVVNGXYJI-DYVFJYSZSA-N 1 2 369.425 1.470 20 10 FDCDLO C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804149282 886572110 /nfs/dbraw/zinc/57/21/10/886572110.db2.gz ZFSWDQVVNGXYJI-DYVFJYSZSA-N 1 2 369.425 1.470 20 10 FDCDLO CC(C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179791002 888980438 /nfs/dbraw/zinc/98/04/38/888980438.db2.gz FDKLZNUNEVRMPS-UHFFFAOYSA-N 1 2 372.513 1.846 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)cc1 ZINC001084104347 913434477 /nfs/dbraw/zinc/43/44/77/913434477.db2.gz QTKBWSULGQIBDY-YQBIAXLDSA-N 1 2 351.794 1.376 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)cc1 ZINC001084104347 913434490 /nfs/dbraw/zinc/43/44/90/913434490.db2.gz QTKBWSULGQIBDY-YQBIAXLDSA-N 1 2 351.794 1.376 20 10 FDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cnc(F)cn2)CC1 ZINC001089863729 896914850 /nfs/dbraw/zinc/91/48/50/896914850.db2.gz FMRVLMSGRAVJIT-HUUCEWRRSA-N 1 2 370.432 1.796 20 10 FDCDLO Cn1ncc2c1nc[nH+]c2N1CC=C(CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001089866407 897155994 /nfs/dbraw/zinc/15/59/94/897155994.db2.gz JLZJGSYTAYQIOP-LIRRHRJNSA-N 1 2 368.441 1.043 20 10 FDCDLO O=C(NCCC1=CCN(c2cc(F)ncn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089871488 898010805 /nfs/dbraw/zinc/01/08/05/898010805.db2.gz VTDQFNPCYAQASS-ZIAGYGMSSA-N 1 2 356.405 1.785 20 10 FDCDLO O=C(NCCC1=CCN(c2cc(F)ncn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089871488 898010817 /nfs/dbraw/zinc/01/08/17/898010817.db2.gz VTDQFNPCYAQASS-ZIAGYGMSSA-N 1 2 356.405 1.785 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnnc(C)c3)CC2)cc1 ZINC000786843671 932055369 /nfs/dbraw/zinc/05/53/69/932055369.db2.gz YVRQKVNTMLNUHB-UHFFFAOYSA-N 1 2 355.442 1.346 20 10 FDCDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C1CCOCC1 ZINC000789582376 933095285 /nfs/dbraw/zinc/09/52/85/933095285.db2.gz QGKYJVPVHZAPSE-KRWDZBQOSA-N 1 2 353.415 1.857 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000789767272 933169855 /nfs/dbraw/zinc/16/98/55/933169855.db2.gz AOMQIDPQIFYDMM-OAHLLOKOSA-N 1 2 368.231 1.637 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000789767272 933169865 /nfs/dbraw/zinc/16/98/65/933169865.db2.gz AOMQIDPQIFYDMM-OAHLLOKOSA-N 1 2 368.231 1.637 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000807674295 940451587 /nfs/dbraw/zinc/45/15/87/940451587.db2.gz JRNYYGMWWSQFQK-HIFRSBDPSA-N 1 2 355.442 1.258 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000817706062 942900916 /nfs/dbraw/zinc/90/09/16/942900916.db2.gz OHAGUNZWDBQZRW-CVEARBPZSA-N 1 2 371.485 1.510 20 10 FDCDLO C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)n1cc[nH+]c1 ZINC000844346697 947982966 /nfs/dbraw/zinc/98/29/66/947982966.db2.gz KZEVYKYQYMVBJX-DOTOQJQBSA-N 1 2 369.469 1.852 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 ZINC000844725576 948333458 /nfs/dbraw/zinc/33/34/58/948333458.db2.gz NMHHXJHUUNALPG-KRWDZBQOSA-N 1 2 362.474 1.987 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 ZINC000844725576 948333465 /nfs/dbraw/zinc/33/34/65/948333465.db2.gz NMHHXJHUUNALPG-KRWDZBQOSA-N 1 2 362.474 1.987 20 10 FDCDLO O=C(c1cccc(O)c1O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001148214831 952649367 /nfs/dbraw/zinc/64/93/67/952649367.db2.gz ZDWDWNILLLNHSA-UHFFFAOYSA-N 1 2 352.394 1.932 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC(C(F)F)C3)cc12 ZINC001184361040 963541159 /nfs/dbraw/zinc/54/11/59/963541159.db2.gz MUEYFEPCEDUGRN-UHFFFAOYSA-N 1 2 366.364 1.962 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC(C(F)F)C3)cc12 ZINC001184361040 963541164 /nfs/dbraw/zinc/54/11/64/963541164.db2.gz MUEYFEPCEDUGRN-UHFFFAOYSA-N 1 2 366.364 1.962 20 10 FDCDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000852147222 979393834 /nfs/dbraw/zinc/39/38/34/979393834.db2.gz NZLFSRXTGSLLBY-UHFFFAOYSA-N 1 2 357.458 1.698 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000858208590 981916205 /nfs/dbraw/zinc/91/62/05/981916205.db2.gz JGXOHXVPKOGVEI-UHFFFAOYSA-N 1 2 369.487 1.009 20 10 FDCDLO NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000858224970 981926353 /nfs/dbraw/zinc/92/63/53/981926353.db2.gz YQCNYPQUMJCFDW-LBPRGKRZSA-N 1 2 356.810 1.383 20 10 FDCDLO NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000858224970 981926356 /nfs/dbraw/zinc/92/63/56/981926356.db2.gz YQCNYPQUMJCFDW-LBPRGKRZSA-N 1 2 356.810 1.383 20 10 FDCDLO CS(=O)(=O)NC1CC([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883112753 981955749 /nfs/dbraw/zinc/95/57/49/981955749.db2.gz WLLMWJQQXQPGLJ-UHFFFAOYSA-N 1 2 367.240 1.464 20 10 FDCDLO CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883194758 982007519 /nfs/dbraw/zinc/00/75/19/982007519.db2.gz CEDSSRHBGMKXSF-UHFFFAOYSA-N 1 2 355.229 1.323 20 10 FDCDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862215025 984255244 /nfs/dbraw/zinc/25/52/44/984255244.db2.gz GRNBQRAOVCXINE-CYBMUJFWSA-N 1 2 366.456 1.816 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)/C=C\C[NH+]3CCOCC3)C2)cc1 ZINC000868955134 984723290 /nfs/dbraw/zinc/72/32/90/984723290.db2.gz IZJZFEIHFHIIDA-KYVUIXNKSA-N 1 2 359.470 1.526 20 10 FDCDLO CCOc1cc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000294575184 988477806 /nfs/dbraw/zinc/47/78/06/988477806.db2.gz BFTADMWPTAGVBW-UHFFFAOYSA-N 1 2 374.441 1.634 20 10 FDCDLO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000297585574 989571930 /nfs/dbraw/zinc/57/19/30/989571930.db2.gz TWAXWSMGCIKVGN-FQEVSTJZSA-N 1 2 361.486 1.639 20 10 FDCDLO COC1CCN(c2ccc(C[N@H+]3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000297585574 989571946 /nfs/dbraw/zinc/57/19/46/989571946.db2.gz TWAXWSMGCIKVGN-FQEVSTJZSA-N 1 2 361.486 1.639 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(Cl)no3)CC2)cc1 ZINC000874243252 989980140 /nfs/dbraw/zinc/98/01/40/989980140.db2.gz WFTRMYZFLCYXCT-UHFFFAOYSA-N 1 2 364.833 1.889 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875119124 990921358 /nfs/dbraw/zinc/92/13/58/990921358.db2.gz ZMBOBOZGASZJNV-CQSZACIVSA-N 1 2 359.405 1.283 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3c(C)cccc3O)CC2)cs1 ZINC000876691868 992798330 /nfs/dbraw/zinc/79/83/30/992798330.db2.gz RNBOQLQADVJQFS-UHFFFAOYSA-N 1 2 367.496 1.972 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3c(C)cccc3O)CC2)cn1C ZINC000876784903 992912659 /nfs/dbraw/zinc/91/26/59/992912659.db2.gz RCXXSQNHWNCFGC-UHFFFAOYSA-N 1 2 364.471 1.249 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1 ZINC000877983278 993590160 /nfs/dbraw/zinc/59/01/60/993590160.db2.gz ILYAONNXIVUHLI-UHFFFAOYSA-N 1 2 370.453 1.976 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1 ZINC000877983278 993590169 /nfs/dbraw/zinc/59/01/69/993590169.db2.gz ILYAONNXIVUHLI-UHFFFAOYSA-N 1 2 370.453 1.976 20 10 FDCDLO C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1O ZINC000878849495 994286910 /nfs/dbraw/zinc/28/69/10/994286910.db2.gz NXWQIGYTHMEUBK-AWEZNQCLSA-N 1 2 359.430 1.804 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3c[nH]nc3C)CC2)cc1 ZINC000879185459 994608350 /nfs/dbraw/zinc/60/83/50/994608350.db2.gz OLRKYLOBRGSIEP-UHFFFAOYSA-N 1 2 357.458 1.507 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3c[nH]nc3C)CC2)cc1 ZINC000879185459 994608367 /nfs/dbraw/zinc/60/83/67/994608367.db2.gz OLRKYLOBRGSIEP-UHFFFAOYSA-N 1 2 357.458 1.507 20 10 FDCDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000271273860 999683452 /nfs/dbraw/zinc/68/34/52/999683452.db2.gz KHSBQFBTVSYFHC-UHFFFAOYSA-N 1 2 364.442 1.682 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)cc1F ZINC000284066666 999775997 /nfs/dbraw/zinc/77/59/97/999775997.db2.gz SSMPYRUCHIYLNR-UHFFFAOYSA-N 1 2 361.421 1.301 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000284358695 999815205 /nfs/dbraw/zinc/81/52/05/999815205.db2.gz ZEGPPNJRJCRRIN-UHFFFAOYSA-N 1 2 356.470 1.210 20 10 FDCDLO C[NH+]1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000023991023 518972479 /nfs/dbraw/zinc/97/24/79/518972479.db2.gz BXOOVVRUGNMDBR-UHFFFAOYSA-N 1 2 363.417 1.648 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000031728367 519457647 /nfs/dbraw/zinc/45/76/47/519457647.db2.gz SMFZWILSKNSYLV-UHFFFAOYSA-N 1 2 369.469 1.984 20 10 FDCDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000069608728 521920660 /nfs/dbraw/zinc/92/06/60/521920660.db2.gz ICQYLRSYZPGMKW-UHFFFAOYSA-N 1 2 374.529 1.901 20 10 FDCDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000069608728 521920677 /nfs/dbraw/zinc/92/06/77/521920677.db2.gz ICQYLRSYZPGMKW-UHFFFAOYSA-N 1 2 374.529 1.901 20 10 FDCDLO COc1cccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000175931446 525027788 /nfs/dbraw/zinc/02/77/88/525027788.db2.gz INSMBIKRKADNNG-UHFFFAOYSA-N 1 2 356.426 1.234 20 10 FDCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c1O ZINC000179765714 525629068 /nfs/dbraw/zinc/62/90/68/525629068.db2.gz YGNHKJJSFBNZGY-UHFFFAOYSA-N 1 2 351.834 1.277 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155851765 525990945 /nfs/dbraw/zinc/99/09/45/525990945.db2.gz LVYGKVRBKVNPFK-QGZVFWFLSA-N 1 2 354.454 1.941 20 10 FDCDLO Cc1cc(N2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000187225878 536258138 /nfs/dbraw/zinc/25/81/38/536258138.db2.gz YOQWTUXPVBYUHG-UHFFFAOYSA-N 1 2 370.501 1.565 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000285660584 537743033 /nfs/dbraw/zinc/74/30/33/537743033.db2.gz HOYFADKPCUHCAW-UHFFFAOYSA-N 1 2 373.432 1.568 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826209864 607480615 /nfs/dbraw/zinc/48/06/15/607480615.db2.gz UWTRRUURZCNPCU-UHFFFAOYSA-N 1 2 351.414 1.593 20 10 FDCDLO CN(C)CC[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891804925 779511798 /nfs/dbraw/zinc/51/17/98/779511798.db2.gz BBXYGQCUSVMFAZ-UHFFFAOYSA-N 1 2 354.882 1.871 20 10 FDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2N1 ZINC000378086651 793484873 /nfs/dbraw/zinc/48/48/73/793484873.db2.gz PIYNGKKHDREPFH-GFCCVEGCSA-N 1 2 356.338 1.978 20 10 FDCDLO COc1cc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc(OC)c1OC ZINC000273646419 814798671 /nfs/dbraw/zinc/79/86/71/814798671.db2.gz VLPFJFXMWJRPDK-UHFFFAOYSA-N 1 2 365.474 1.749 20 10 FDCDLO CCCN1C(=O)C(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878896 814829757 /nfs/dbraw/zinc/82/97/57/814829757.db2.gz HJEVNJRTUQFKCA-UHFFFAOYSA-N 1 2 374.441 1.113 20 10 FDCDLO CCCN1C(=O)C(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878896 814829758 /nfs/dbraw/zinc/82/97/58/814829758.db2.gz HJEVNJRTUQFKCA-UHFFFAOYSA-N 1 2 374.441 1.113 20 10 FDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4ccccn4)CC3)cc2N1 ZINC000301602575 827661026 /nfs/dbraw/zinc/66/10/26/827661026.db2.gz KKAQDYFZAJSEIM-UHFFFAOYSA-N 1 2 369.381 1.643 20 10 FDCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000529642833 829964219 /nfs/dbraw/zinc/96/42/19/829964219.db2.gz IHMWOSCBKROLKU-HNNXBMFYSA-N 1 2 365.474 1.828 20 10 FDCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000529642833 829964223 /nfs/dbraw/zinc/96/42/23/829964223.db2.gz IHMWOSCBKROLKU-HNNXBMFYSA-N 1 2 365.474 1.828 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)cc1 ZINC001078253785 898534521 /nfs/dbraw/zinc/53/45/21/898534521.db2.gz QTKBWSULGQIBDY-CSEXZRGUSA-N 1 2 351.794 1.376 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)cc1 ZINC001078253785 898534537 /nfs/dbraw/zinc/53/45/37/898534537.db2.gz QTKBWSULGQIBDY-CSEXZRGUSA-N 1 2 351.794 1.376 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000809459602 940842312 /nfs/dbraw/zinc/84/23/12/940842312.db2.gz DGQJEYLPSJNQQI-INIZCTEOSA-N 1 2 370.453 1.849 20 10 FDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccn3C)CC2)cc1OC ZINC000775646437 970772244 /nfs/dbraw/zinc/77/22/44/970772244.db2.gz YEVWEXSXCJRBEI-UHFFFAOYSA-N 1 2 359.426 1.706 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820424587 944053450 /nfs/dbraw/zinc/05/34/50/944053450.db2.gz IOMOESFPMXCKAT-HUUCEWRRSA-N 1 2 358.417 1.930 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820424587 944053456 /nfs/dbraw/zinc/05/34/56/944053456.db2.gz IOMOESFPMXCKAT-HUUCEWRRSA-N 1 2 358.417 1.930 20 10 FDCDLO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791213 958417297 /nfs/dbraw/zinc/41/72/97/958417297.db2.gz ZBHXJZYAQRLGQI-SNVBAGLBSA-N 1 2 367.240 1.417 20 10 FDCDLO CO[C@H](C)C1CN(C(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184359875 963541683 /nfs/dbraw/zinc/54/16/83/963541683.db2.gz BUWLLNIVXIEZND-CYBMUJFWSA-N 1 2 374.437 1.732 20 10 FDCDLO CO[C@H](C)C1CN(C(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184359875 963541693 /nfs/dbraw/zinc/54/16/93/963541693.db2.gz BUWLLNIVXIEZND-CYBMUJFWSA-N 1 2 374.437 1.732 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)CC3COC3)cc12 ZINC001184359696 963541958 /nfs/dbraw/zinc/54/19/58/963541958.db2.gz SENZHIDEILLXNF-UHFFFAOYSA-N 1 2 360.410 1.344 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)CC3COC3)cc12 ZINC001184359696 963541961 /nfs/dbraw/zinc/54/19/61/963541961.db2.gz SENZHIDEILLXNF-UHFFFAOYSA-N 1 2 360.410 1.344 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@]3(C)CCCOC3)cc12 ZINC001184363485 963543643 /nfs/dbraw/zinc/54/36/43/963543643.db2.gz QIHVGGCZCNLKPC-FQEVSTJZSA-N 1 2 374.437 1.924 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@]3(C)CCCOC3)cc12 ZINC001184363485 963543655 /nfs/dbraw/zinc/54/36/55/963543655.db2.gz QIHVGGCZCNLKPC-FQEVSTJZSA-N 1 2 374.437 1.924 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1c(O)cccc1F ZINC001178412806 964227336 /nfs/dbraw/zinc/22/73/36/964227336.db2.gz GFLQGSRHGQQRDC-HNNXBMFYSA-N 1 2 362.405 1.644 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c(O)cccc1F ZINC001178412806 964227341 /nfs/dbraw/zinc/22/73/41/964227341.db2.gz GFLQGSRHGQQRDC-HNNXBMFYSA-N 1 2 362.405 1.644 20 10 FDCDLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000863558559 973015795 /nfs/dbraw/zinc/01/57/95/973015795.db2.gz NFGMCCVWXOMEQI-UHFFFAOYSA-N 1 2 368.481 1.854 20 10 FDCDLO C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000865019516 974018520 /nfs/dbraw/zinc/01/85/20/974018520.db2.gz SBMNWFJKGPTENA-BAHPRDJBSA-N 1 2 359.470 1.589 20 10 FDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953609 974588316 /nfs/dbraw/zinc/58/83/16/974588316.db2.gz SXPALOAWKQQFBI-UPHRSURJSA-N 1 2 373.497 1.400 20 10 FDCDLO Nc1ccc(Cc2nc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cs2)cc1 ZINC000851644304 978982810 /nfs/dbraw/zinc/98/28/10/978982810.db2.gz NSOWFMPRLBHWIV-MRXNPFEDSA-N 1 2 372.494 1.863 20 10 FDCDLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000851733431 979021186 /nfs/dbraw/zinc/02/11/86/979021186.db2.gz VONZFTNOZXFJKY-KRWDZBQOSA-N 1 2 364.442 1.702 20 10 FDCDLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000851733431 979021189 /nfs/dbraw/zinc/02/11/89/979021189.db2.gz VONZFTNOZXFJKY-KRWDZBQOSA-N 1 2 364.442 1.702 20 10 FDCDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000360261896 987976300 /nfs/dbraw/zinc/97/63/00/987976300.db2.gz NFURQAZYZKDLNL-INIZCTEOSA-N 1 2 357.458 1.940 20 10 FDCDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000360261896 987976310 /nfs/dbraw/zinc/97/63/10/987976310.db2.gz NFURQAZYZKDLNL-INIZCTEOSA-N 1 2 357.458 1.940 20 10 FDCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297864886 989731245 /nfs/dbraw/zinc/73/12/45/989731245.db2.gz PKGGWCMFSFBOAF-UHFFFAOYSA-N 1 2 358.486 1.409 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373585036 992305465 /nfs/dbraw/zinc/30/54/65/992305465.db2.gz MQCVLCOEFJFPOH-GOSISDBHSA-N 1 2 368.481 1.971 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000878805503 994244015 /nfs/dbraw/zinc/24/40/15/994244015.db2.gz OEWYQMCNPXHXGX-UHFFFAOYSA-N 1 2 358.442 1.832 20 10 FDCDLO COc1c(C)[nH]cc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1=O ZINC000931324467 1004057643 /nfs/dbraw/zinc/05/76/43/1004057643.db2.gz AKAHIOPFGQBDGA-UHFFFAOYSA-N 1 2 372.469 1.506 20 10 FDCDLO COc1c(C)[nH]cc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1=O ZINC000931324467 1004057653 /nfs/dbraw/zinc/05/76/53/1004057653.db2.gz AKAHIOPFGQBDGA-UHFFFAOYSA-N 1 2 372.469 1.506 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccnn1C)cc2=O ZINC000932260449 1004856756 /nfs/dbraw/zinc/85/67/56/1004856756.db2.gz DEKCFECZFZPEPY-OAHLLOKOSA-N 1 2 370.413 1.682 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1ccnn1C)cc2=O ZINC000932260449 1004856761 /nfs/dbraw/zinc/85/67/61/1004856761.db2.gz DEKCFECZFZPEPY-OAHLLOKOSA-N 1 2 370.413 1.682 20 10 FDCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000172876279 524285089 /nfs/dbraw/zinc/28/50/89/524285089.db2.gz AXHPBKDATBIBTK-MRXNPFEDSA-N 1 2 367.515 1.268 20 10 FDCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000172876279 524285095 /nfs/dbraw/zinc/28/50/95/524285095.db2.gz AXHPBKDATBIBTK-MRXNPFEDSA-N 1 2 367.515 1.268 20 10 FDCDLO COc1ccc(N2CCN(C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)cc1F ZINC000084732611 524326629 /nfs/dbraw/zinc/32/66/29/524326629.db2.gz LYJKBQQZQOTMAA-CQSZACIVSA-N 1 2 361.421 1.951 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC000090008297 524570028 /nfs/dbraw/zinc/57/00/28/524570028.db2.gz OXEFBQYZTDOTQP-IBGZPJMESA-N 1 2 359.470 1.455 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC000090008297 524570038 /nfs/dbraw/zinc/57/00/38/524570038.db2.gz OXEFBQYZTDOTQP-IBGZPJMESA-N 1 2 359.470 1.455 20 10 FDCDLO O=C(CCc1nnc[nH]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265743 526143489 /nfs/dbraw/zinc/14/34/89/526143489.db2.gz ZNYGCURLRKUFKI-CQSZACIVSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1nnc[nH]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265743 526143498 /nfs/dbraw/zinc/14/34/98/526143498.db2.gz ZNYGCURLRKUFKI-CQSZACIVSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1nc[nH]n1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265743 526143506 /nfs/dbraw/zinc/14/35/06/526143506.db2.gz ZNYGCURLRKUFKI-CQSZACIVSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1nc[nH]n1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265743 526143511 /nfs/dbraw/zinc/14/35/11/526143511.db2.gz ZNYGCURLRKUFKI-CQSZACIVSA-N 1 2 363.849 1.877 20 10 FDCDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1c[nH+]cn1C ZINC000193755398 537255239 /nfs/dbraw/zinc/25/52/39/537255239.db2.gz LXXVQDFIZCXBQZ-UHFFFAOYSA-N 1 2 365.817 1.914 20 10 FDCDLO Cc1ccn2cc(CNC(=O)C(=O)NCc3ccc(N(C)C)cc3)[nH+]c2c1 ZINC000283418584 537378594 /nfs/dbraw/zinc/37/85/94/537378594.db2.gz IRZUNDLNIMTPCA-UHFFFAOYSA-N 1 2 365.437 1.641 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000283527901 537380205 /nfs/dbraw/zinc/38/02/05/537380205.db2.gz PCVIOOMERPNGLD-OAHLLOKOSA-N 1 2 355.442 1.498 20 10 FDCDLO O=C(C[N@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1)N1CCCC1 ZINC000276586053 537589749 /nfs/dbraw/zinc/58/97/49/537589749.db2.gz PJWKLOTWZSJMCR-UHFFFAOYSA-N 1 2 365.405 1.007 20 10 FDCDLO O=C(C[N@@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1)N1CCCC1 ZINC000276586053 537589760 /nfs/dbraw/zinc/58/97/60/537589760.db2.gz PJWKLOTWZSJMCR-UHFFFAOYSA-N 1 2 365.405 1.007 20 10 FDCDLO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368037191 537973541 /nfs/dbraw/zinc/97/35/41/537973541.db2.gz BRLQEFHFWMLKCI-MRXNPFEDSA-N 1 2 359.470 1.933 20 10 FDCDLO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368037191 537973547 /nfs/dbraw/zinc/97/35/47/537973547.db2.gz BRLQEFHFWMLKCI-MRXNPFEDSA-N 1 2 359.470 1.933 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1F ZINC000368178838 537976244 /nfs/dbraw/zinc/97/62/44/537976244.db2.gz LWEVVZLMJYTDFC-HNNXBMFYSA-N 1 2 350.438 1.554 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1F ZINC000368178838 537976248 /nfs/dbraw/zinc/97/62/48/537976248.db2.gz LWEVVZLMJYTDFC-HNNXBMFYSA-N 1 2 350.438 1.554 20 10 FDCDLO COC(=O)Cn1cc(C[NH2+]Cc2cccc(Br)c2O)nn1 ZINC000120154596 671685107 /nfs/dbraw/zinc/68/51/07/671685107.db2.gz ARRZFJMWJMEDNB-UHFFFAOYSA-N 1 2 355.192 1.209 20 10 FDCDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000121918610 671711886 /nfs/dbraw/zinc/71/18/86/671711886.db2.gz XPHSBJAVFCJAQD-UHFFFAOYSA-N 1 2 350.482 1.878 20 10 FDCDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000195161122 672399038 /nfs/dbraw/zinc/39/90/38/672399038.db2.gz AMWWLASTLXKNEP-UHFFFAOYSA-N 1 2 352.500 1.922 20 10 FDCDLO Cn1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000293524661 676353969 /nfs/dbraw/zinc/35/39/69/676353969.db2.gz IXJGEMNLYTXNKQ-UHFFFAOYSA-N 1 2 355.364 1.960 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000294902487 676398464 /nfs/dbraw/zinc/39/84/64/676398464.db2.gz XILBKYWULIKDQK-LBPRGKRZSA-N 1 2 353.375 1.972 20 10 FDCDLO COc1c(O)c(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000372971504 678001634 /nfs/dbraw/zinc/00/16/34/678001634.db2.gz CYDNXQATFSFSFK-GFCCVEGCSA-N 1 2 364.379 1.927 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422377120 814813591 /nfs/dbraw/zinc/81/35/91/814813591.db2.gz JMSINARJBVSRDO-UHFFFAOYSA-N 1 2 353.426 1.195 20 10 FDCDLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897237564 827269296 /nfs/dbraw/zinc/26/92/96/827269296.db2.gz LUZPEMSAKNJDAV-LBPRGKRZSA-N 1 2 350.440 1.841 20 10 FDCDLO CN(C)c1ccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)cc1 ZINC000905317153 851827605 /nfs/dbraw/zinc/82/76/05/851827605.db2.gz HMMNGYIRQCQOCV-UHFFFAOYSA-N 1 2 356.470 1.816 20 10 FDCDLO Cn1ccc(-n2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)nn2)n1 ZINC000906276761 852730111 /nfs/dbraw/zinc/73/01/11/852730111.db2.gz NKROSHABNXDBQV-KRWDZBQOSA-N 1 2 368.441 1.888 20 10 FDCDLO Cn1ccc(-n2cc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)nn2)n1 ZINC000906276761 852730116 /nfs/dbraw/zinc/73/01/16/852730116.db2.gz NKROSHABNXDBQV-KRWDZBQOSA-N 1 2 368.441 1.888 20 10 FDCDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(N(C)C)[nH+]1 ZINC000156636964 862581513 /nfs/dbraw/zinc/58/15/13/862581513.db2.gz PJRFSKMYFNHNGH-UHFFFAOYSA-N 1 2 373.432 1.916 20 10 FDCDLO O=C(NCCC1=CCN(c2cnc(F)cn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089870651 897914557 /nfs/dbraw/zinc/91/45/57/897914557.db2.gz CVTTVHBBYCVTOE-ZIAGYGMSSA-N 1 2 356.405 1.785 20 10 FDCDLO O=C(NCCC1=CCN(c2cnc(F)cn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089870651 897914566 /nfs/dbraw/zinc/91/45/66/897914566.db2.gz CVTTVHBBYCVTOE-ZIAGYGMSSA-N 1 2 356.405 1.785 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(OC)nn3)CC2)cc1 ZINC000265689744 909149706 /nfs/dbraw/zinc/14/97/06/909149706.db2.gz YIASVBLPNNFPJD-UHFFFAOYSA-N 1 2 371.441 1.046 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000823523404 945796638 /nfs/dbraw/zinc/79/66/38/945796638.db2.gz DSFKOLMRGIVETB-UHFFFAOYSA-N 1 2 355.442 1.570 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000825279971 947103893 /nfs/dbraw/zinc/10/38/93/947103893.db2.gz VRBMZYLWGVWXSH-LBPRGKRZSA-N 1 2 352.391 1.545 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000825279971 947103897 /nfs/dbraw/zinc/10/38/97/947103897.db2.gz VRBMZYLWGVWXSH-LBPRGKRZSA-N 1 2 352.391 1.545 20 10 FDCDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)CO1 ZINC000844390457 948022862 /nfs/dbraw/zinc/02/28/62/948022862.db2.gz XNTKLOQNEQTIPS-FUHWJXTLSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)CO1 ZINC000844390457 948022871 /nfs/dbraw/zinc/02/28/71/948022871.db2.gz XNTKLOQNEQTIPS-FUHWJXTLSA-N 1 2 361.486 1.843 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000844400315 948029226 /nfs/dbraw/zinc/02/92/26/948029226.db2.gz ADUVMDYGAQORLA-CYBMUJFWSA-N 1 2 359.478 1.658 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000844400315 948029233 /nfs/dbraw/zinc/02/92/33/948029233.db2.gz ADUVMDYGAQORLA-CYBMUJFWSA-N 1 2 359.478 1.658 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000844943728 948562020 /nfs/dbraw/zinc/56/20/20/948562020.db2.gz REEVTVDVNLZSTM-MRXNPFEDSA-N 1 2 364.490 1.494 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000844943728 948562023 /nfs/dbraw/zinc/56/20/23/948562023.db2.gz REEVTVDVNLZSTM-MRXNPFEDSA-N 1 2 364.490 1.494 20 10 FDCDLO CC(C)(C)OC(=O)N1CCOC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144504597 949717033 /nfs/dbraw/zinc/71/70/33/949717033.db2.gz WMZPEMGTMGQIFT-UHFFFAOYSA-N 1 2 366.414 1.625 20 10 FDCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509959 949788519 /nfs/dbraw/zinc/78/85/19/949788519.db2.gz OJZMQKFVFLNFNI-MRXNPFEDSA-N 1 2 374.441 1.816 20 10 FDCDLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144509959 949788532 /nfs/dbraw/zinc/78/85/32/949788532.db2.gz OJZMQKFVFLNFNI-MRXNPFEDSA-N 1 2 374.441 1.816 20 10 FDCDLO CCC[C@H](C)S(=O)(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000845858060 950024553 /nfs/dbraw/zinc/02/45/53/950024553.db2.gz UWHUAXBJXSEJME-INIZCTEOSA-N 1 2 369.531 1.925 20 10 FDCDLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177295 963002343 /nfs/dbraw/zinc/00/23/43/963002343.db2.gz KLUKCGOQPJTNRM-ILXRZTDVSA-N 1 2 372.429 1.320 20 10 FDCDLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177295 963002353 /nfs/dbraw/zinc/00/23/53/963002353.db2.gz KLUKCGOQPJTNRM-ILXRZTDVSA-N 1 2 372.429 1.320 20 10 FDCDLO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176969826 963623545 /nfs/dbraw/zinc/62/35/45/963623545.db2.gz HNAAKBFNSXBKRZ-CQSZACIVSA-N 1 2 357.410 1.774 20 10 FDCDLO O=C(NCCc1cc(O)c(O)cc1O)c1ccccc1C[NH+]1CCOCC1 ZINC001187451254 965365023 /nfs/dbraw/zinc/36/50/23/965365023.db2.gz RMJFTBDNLLNORH-UHFFFAOYSA-N 1 2 372.421 1.608 20 10 FDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000864918425 973946119 /nfs/dbraw/zinc/94/61/19/973946119.db2.gz GFZSVAFAGHCNIJ-UPHRSURJSA-N 1 2 361.511 1.744 20 10 FDCDLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000865019518 974018569 /nfs/dbraw/zinc/01/85/69/974018569.db2.gz SBMNWFJKGPTENA-RCAFFNEUSA-N 1 2 359.470 1.589 20 10 FDCDLO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000776230340 975219285 /nfs/dbraw/zinc/21/92/85/975219285.db2.gz GESKQHSXKFXQEN-MGPLVRAMSA-N 1 2 355.797 1.995 20 10 FDCDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H](O)C(F)(F)F ZINC000848922641 977239036 /nfs/dbraw/zinc/23/90/36/977239036.db2.gz WGMRFHFRQRGLIS-NSHDSACASA-N 1 2 368.308 1.681 20 10 FDCDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H](O)C(F)(F)F ZINC000848922641 977239046 /nfs/dbraw/zinc/23/90/46/977239046.db2.gz WGMRFHFRQRGLIS-NSHDSACASA-N 1 2 368.308 1.681 20 10 FDCDLO CNc1cnc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000858839885 982324057 /nfs/dbraw/zinc/32/40/57/982324057.db2.gz KZNTWHAJXNVYKG-UHFFFAOYSA-N 1 2 370.457 1.079 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366159996 988490307 /nfs/dbraw/zinc/49/03/07/988490307.db2.gz CTZWXSFFMARHSR-LJQANCHMSA-N 1 2 356.470 1.725 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366159996 988490311 /nfs/dbraw/zinc/49/03/11/988490311.db2.gz CTZWXSFFMARHSR-LJQANCHMSA-N 1 2 356.470 1.725 20 10 FDCDLO c1cnc(CC[NH+]2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000877703706 993456807 /nfs/dbraw/zinc/45/68/07/993456807.db2.gz QISHITRZURYIGJ-UHFFFAOYSA-N 1 2 367.497 1.674 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)c(OC)c1 ZINC000879461032 994927253 /nfs/dbraw/zinc/92/72/53/994927253.db2.gz AEJVFVQOHSTRRX-GOSISDBHSA-N 1 2 359.470 1.979 20 10 FDCDLO COc1ccc(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(OC)c1 ZINC000269765206 999471716 /nfs/dbraw/zinc/47/17/16/999471716.db2.gz DZROEDSRBFIWMW-UHFFFAOYSA-N 1 2 365.474 1.367 20 10 FDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1OC ZINC000271081622 999657935 /nfs/dbraw/zinc/65/79/35/999657935.db2.gz IZHCFOLCITWJBG-UHFFFAOYSA-N 1 2 357.410 1.762 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000289267953 1000086269 /nfs/dbraw/zinc/08/62/69/1000086269.db2.gz RHXQTTJZAULJCL-UHFFFAOYSA-N 1 2 365.437 1.675 20 10 FDCDLO COc1ccc(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)cc1F ZINC000777670799 1001332561 /nfs/dbraw/zinc/33/25/61/1001332561.db2.gz OCWSELBPEUWSNA-AWEZNQCLSA-N 1 2 373.432 1.877 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(OC)ncn3)CC2)cc1 ZINC000930941601 1003686418 /nfs/dbraw/zinc/68/64/18/1003686418.db2.gz UHVWAQRYRXAQRI-UHFFFAOYSA-N 1 2 371.441 1.046 20 10 FDCDLO Cc1cc(Br)cc(C[NH+]2CCN(S(C)(=O)=O)CC2)c1O ZINC000158022950 524387585 /nfs/dbraw/zinc/38/75/85/524387585.db2.gz LWAQJUNPJVBBDM-UHFFFAOYSA-N 1 2 363.277 1.540 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000175632429 524984267 /nfs/dbraw/zinc/98/42/67/524984267.db2.gz ZYWBFHATVCCYFS-QGZVFWFLSA-N 1 2 364.417 1.947 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000175632429 524984278 /nfs/dbraw/zinc/98/42/78/524984278.db2.gz ZYWBFHATVCCYFS-QGZVFWFLSA-N 1 2 364.417 1.947 20 10 FDCDLO COC[C@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000184573519 536166260 /nfs/dbraw/zinc/16/62/60/536166260.db2.gz FEAIBVJDUFLDTA-SFHVURJKSA-N 1 2 373.453 1.914 20 10 FDCDLO COc1c(O)c(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000278314531 537296818 /nfs/dbraw/zinc/29/68/18/537296818.db2.gz XDWIIFKLRXHYBR-JTQLQIEISA-N 1 2 358.416 1.707 20 10 FDCDLO COc1c(O)c(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000278314531 537296823 /nfs/dbraw/zinc/29/68/23/537296823.db2.gz XDWIIFKLRXHYBR-JTQLQIEISA-N 1 2 358.416 1.707 20 10 FDCDLO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000290568450 537374482 /nfs/dbraw/zinc/37/44/82/537374482.db2.gz SWZZBOBSMKZCPN-ZDUSSCGKSA-N 1 2 363.863 1.690 20 10 FDCDLO COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000290568450 537374490 /nfs/dbraw/zinc/37/44/90/537374490.db2.gz SWZZBOBSMKZCPN-ZDUSSCGKSA-N 1 2 363.863 1.690 20 10 FDCDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299524716 537592378 /nfs/dbraw/zinc/59/23/78/537592378.db2.gz RAZROZCAEXEOTH-UHFFFAOYSA-N 1 2 370.409 1.182 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1F ZINC000285279539 537676165 /nfs/dbraw/zinc/67/61/65/537676165.db2.gz RFNDZXBBLWQTKD-UHFFFAOYSA-N 1 2 373.432 1.521 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccn(C)n4)C3=O)CC2)cc1 ZINC000365349025 568547878 /nfs/dbraw/zinc/54/78/78/568547878.db2.gz NBGCJNYXABOWME-QGZVFWFLSA-N 1 2 355.442 1.356 20 10 FDCDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1c[nH]c[nH+]1 ZINC000193755376 672373417 /nfs/dbraw/zinc/37/34/17/672373417.db2.gz TYIKRJBHPAJIRU-UHFFFAOYSA-N 1 2 351.790 1.903 20 10 FDCDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1c[nH+]c[nH]1 ZINC000193755376 672373419 /nfs/dbraw/zinc/37/34/19/672373419.db2.gz TYIKRJBHPAJIRU-UHFFFAOYSA-N 1 2 351.790 1.903 20 10 FDCDLO CN1CCN(c2cc(NCCCSc3nccs3)[nH+]cn2)CC1=O ZINC000302551949 676541225 /nfs/dbraw/zinc/54/12/25/676541225.db2.gz IMNVPCMMLRDHGV-UHFFFAOYSA-N 1 2 364.500 1.806 20 10 FDCDLO CN1CCN(c2cc(NCCCSc3nccs3)nc[nH+]2)CC1=O ZINC000302551949 676541226 /nfs/dbraw/zinc/54/12/26/676541226.db2.gz IMNVPCMMLRDHGV-UHFFFAOYSA-N 1 2 364.500 1.806 20 10 FDCDLO CN(C)c1ccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)cc1F ZINC000274779941 770128262 /nfs/dbraw/zinc/12/82/62/770128262.db2.gz DMZITEHUNQZGCG-UHFFFAOYSA-N 1 2 358.421 1.572 20 10 FDCDLO CN(C)c1ccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)cc1F ZINC000274779941 770128268 /nfs/dbraw/zinc/12/82/68/770128268.db2.gz DMZITEHUNQZGCG-UHFFFAOYSA-N 1 2 358.421 1.572 20 10 FDCDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000683490153 772023874 /nfs/dbraw/zinc/02/38/74/772023874.db2.gz AROZVZSFIRHDGO-UHFFFAOYSA-N 1 2 368.441 1.548 20 10 FDCDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2n[nH]c(=O)[nH]2)C1 ZINC000683490153 772023879 /nfs/dbraw/zinc/02/38/79/772023879.db2.gz AROZVZSFIRHDGO-UHFFFAOYSA-N 1 2 368.441 1.548 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@H]1CC1CC1)cc2=O ZINC000933209128 776130785 /nfs/dbraw/zinc/13/07/85/776130785.db2.gz BLKLEEVFWVDNAG-CQSZACIVSA-N 1 2 360.414 1.613 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@H]1CC1CC1)cc2=O ZINC000933209128 776130797 /nfs/dbraw/zinc/13/07/97/776130797.db2.gz BLKLEEVFWVDNAG-CQSZACIVSA-N 1 2 360.414 1.613 20 10 FDCDLO Cn1ccnc1CN1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093131826 780283479 /nfs/dbraw/zinc/28/34/79/780283479.db2.gz ZKKRCKZQIDFAAQ-UHFFFAOYSA-N 1 2 373.476 1.714 20 10 FDCDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(F)ccc(O)c1O ZINC000279104892 808359839 /nfs/dbraw/zinc/35/98/39/808359839.db2.gz BDZVGCQDGRRJRS-CQSZACIVSA-N 1 2 360.385 1.868 20 10 FDCDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(F)ccc(O)c1O ZINC000279104892 808359849 /nfs/dbraw/zinc/35/98/49/808359849.db2.gz BDZVGCQDGRRJRS-CQSZACIVSA-N 1 2 360.385 1.868 20 10 FDCDLO Cn1nccc1[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000897559152 839503992 /nfs/dbraw/zinc/50/39/92/839503992.db2.gz RXTBAQFLNKEGEH-IBGZPJMESA-N 1 2 360.433 1.969 20 10 FDCDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000897559152 839504001 /nfs/dbraw/zinc/50/40/01/839504001.db2.gz RXTBAQFLNKEGEH-IBGZPJMESA-N 1 2 360.433 1.969 20 10 FDCDLO COc1cccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)c1O ZINC000907059549 853764205 /nfs/dbraw/zinc/76/42/05/853764205.db2.gz DFSUHGDIJDENGF-UHFFFAOYSA-N 1 2 359.426 1.465 20 10 FDCDLO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C[N@@H+]1CCO ZINC000910931637 857880791 /nfs/dbraw/zinc/88/07/91/857880791.db2.gz PMIYWZZCGLFKOI-MNOVXSKESA-N 1 2 350.440 1.840 20 10 FDCDLO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C[N@H+]1CCO ZINC000910931637 857880795 /nfs/dbraw/zinc/88/07/95/857880795.db2.gz PMIYWZZCGLFKOI-MNOVXSKESA-N 1 2 350.440 1.840 20 10 FDCDLO CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000922535844 878478244 /nfs/dbraw/zinc/47/82/44/878478244.db2.gz XBVNHCUMKLVNBD-CQSZACIVSA-N 1 2 363.227 1.077 20 10 FDCDLO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1[NH3+] ZINC001236347650 888167671 /nfs/dbraw/zinc/16/76/71/888167671.db2.gz LEVWPHXFSXALDR-MWLCHTKSSA-N 1 2 363.639 1.740 20 10 FDCDLO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)ncn1 ZINC001089864217 896973234 /nfs/dbraw/zinc/97/32/34/896973234.db2.gz SUFNPHILYVFMMH-IAGOWNOFSA-N 1 2 366.469 1.965 20 10 FDCDLO O=C(NCCC1=CCN(c2nccnc2F)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089871065 897974402 /nfs/dbraw/zinc/97/44/02/897974402.db2.gz MMAJLAQGYWLDCX-ZIAGYGMSSA-N 1 2 356.405 1.785 20 10 FDCDLO O=C(NCCC1=CCN(c2nccnc2F)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089871065 897974411 /nfs/dbraw/zinc/97/44/11/897974411.db2.gz MMAJLAQGYWLDCX-ZIAGYGMSSA-N 1 2 356.405 1.785 20 10 FDCDLO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253754 898533503 /nfs/dbraw/zinc/53/35/03/898533503.db2.gz PMVTUEJKVIPSTR-MRVWCRGKSA-N 1 2 351.382 1.372 20 10 FDCDLO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253754 898533513 /nfs/dbraw/zinc/53/35/13/898533513.db2.gz PMVTUEJKVIPSTR-MRVWCRGKSA-N 1 2 351.382 1.372 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)NCc3cc(C)[nH]n3)CC2)cc1 ZINC000738461059 925173903 /nfs/dbraw/zinc/17/39/03/925173903.db2.gz MEKVFHNAHRTJGW-UHFFFAOYSA-N 1 2 372.473 1.348 20 10 FDCDLO CCc1nn(C)cc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000770723151 930195635 /nfs/dbraw/zinc/19/56/35/930195635.db2.gz JZMUUGXQYNJUAA-UHFFFAOYSA-N 1 2 371.485 1.543 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000789752609 933181662 /nfs/dbraw/zinc/18/16/62/933181662.db2.gz JOMDSMRHOWYZLV-CQSZACIVSA-N 1 2 355.442 1.087 20 10 FDCDLO O=C(NCCCSc1nccs1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000806277677 939877067 /nfs/dbraw/zinc/87/70/67/939877067.db2.gz DXEMCNLZZLAFHK-UHFFFAOYSA-N 1 2 354.501 1.048 20 10 FDCDLO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000809763028 940896023 /nfs/dbraw/zinc/89/60/23/940896023.db2.gz HYDDZTUMEKTFAR-GOSISDBHSA-N 1 2 368.499 1.159 20 10 FDCDLO COCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000809763028 940896027 /nfs/dbraw/zinc/89/60/27/940896027.db2.gz HYDDZTUMEKTFAR-GOSISDBHSA-N 1 2 368.499 1.159 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000819697667 943695426 /nfs/dbraw/zinc/69/54/26/943695426.db2.gz YUMMBQOSSVAJEF-CQSZACIVSA-N 1 2 357.410 1.743 20 10 FDCDLO CCn1cnc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000824285261 946303084 /nfs/dbraw/zinc/30/30/84/946303084.db2.gz CQSGWTCJAJDWEM-UHFFFAOYSA-N 1 2 357.458 1.464 20 10 FDCDLO Cc1ncn(C)c1NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184357336 963540165 /nfs/dbraw/zinc/54/01/65/963540165.db2.gz XWDQPROCYBYSJJ-UHFFFAOYSA-N 1 2 370.409 1.919 20 10 FDCDLO Cc1ncn(C)c1NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184357336 963540169 /nfs/dbraw/zinc/54/01/69/963540169.db2.gz XWDQPROCYBYSJJ-UHFFFAOYSA-N 1 2 370.409 1.919 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(Cc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000774877110 963938831 /nfs/dbraw/zinc/93/88/31/963938831.db2.gz HTWHCMOKMGTQHC-UHFFFAOYSA-N 1 2 361.402 1.360 20 10 FDCDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000119777695 973345433 /nfs/dbraw/zinc/34/54/33/973345433.db2.gz XXDLFFKNFOUOAG-AWEZNQCLSA-N 1 2 371.489 1.549 20 10 FDCDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000119777695 973345441 /nfs/dbraw/zinc/34/54/41/973345441.db2.gz XXDLFFKNFOUOAG-AWEZNQCLSA-N 1 2 371.489 1.549 20 10 FDCDLO COc1ccc(N2CCN(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c(OC)c1 ZINC000864417464 973546735 /nfs/dbraw/zinc/54/67/35/973546735.db2.gz ZWHGRWYLWBFESI-HNNXBMFYSA-N 1 2 373.457 1.821 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]nn3)cc2F)CC1 ZINC000865201351 974180856 /nfs/dbraw/zinc/18/08/56/974180856.db2.gz DNXUVYNXCOWLJX-UHFFFAOYSA-N 1 2 360.437 1.335 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848910693 977234100 /nfs/dbraw/zinc/23/41/00/977234100.db2.gz MZMHDJOKJCLDRV-UHFFFAOYSA-N 1 2 369.483 1.897 20 10 FDCDLO CCOCCOC[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883102347 981946783 /nfs/dbraw/zinc/94/67/83/981946783.db2.gz NJNSNENTCHLVJY-GFCCVEGCSA-N 1 2 366.227 1.797 20 10 FDCDLO CC(C)(C(N)=O)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862249572 984282678 /nfs/dbraw/zinc/28/26/78/984282678.db2.gz UVWVTCYYSBRAAP-UHFFFAOYSA-N 1 2 356.264 1.536 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCCCN(C)C2=O)cc1 ZINC000872264059 987558453 /nfs/dbraw/zinc/55/84/53/987558453.db2.gz JJGNPHQEWRLMDM-GOSISDBHSA-N 1 2 360.502 1.654 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)cc1 ZINC000872264059 987558457 /nfs/dbraw/zinc/55/84/57/987558457.db2.gz JJGNPHQEWRLMDM-GOSISDBHSA-N 1 2 360.502 1.654 20 10 FDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876537685 992690767 /nfs/dbraw/zinc/69/07/67/992690767.db2.gz ZLRYOZNQOOLFQG-HXUWFJFHSA-N 1 2 373.497 1.471 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744680 992934401 /nfs/dbraw/zinc/93/44/01/992934401.db2.gz SUOZQWKQSSXELC-HUUCEWRRSA-N 1 2 372.448 1.506 20 10 FDCDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877694753 993449507 /nfs/dbraw/zinc/44/95/07/993449507.db2.gz FQHJVKDTKREQPU-LJQANCHMSA-N 1 2 367.442 1.960 20 10 FDCDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877694753 993449509 /nfs/dbraw/zinc/44/95/09/993449509.db2.gz FQHJVKDTKREQPU-LJQANCHMSA-N 1 2 367.442 1.960 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cncc(F)c3)CC2)cc1 ZINC000268246123 999434458 /nfs/dbraw/zinc/43/44/58/999434458.db2.gz FTVQRAHNFAYGEP-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO O=C(C[N@H+]1CCCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCCC1 ZINC000271033085 999651262 /nfs/dbraw/zinc/65/12/62/999651262.db2.gz DNDOQJKOQHXEQE-UHFFFAOYSA-N 1 2 361.442 1.251 20 10 FDCDLO O=C(C[N@@H+]1CCCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCCC1 ZINC000271033085 999651265 /nfs/dbraw/zinc/65/12/65/999651265.db2.gz DNDOQJKOQHXEQE-UHFFFAOYSA-N 1 2 361.442 1.251 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284019197 999771103 /nfs/dbraw/zinc/77/11/03/999771103.db2.gz RDPMEIPBBYIUCH-HNNXBMFYSA-N 1 2 358.442 1.922 20 10 FDCDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179617571 525606694 /nfs/dbraw/zinc/60/66/94/525606694.db2.gz ULGMOVZMBMTDNS-UHFFFAOYSA-N 1 2 365.455 1.812 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)c1O ZINC000184675428 536175088 /nfs/dbraw/zinc/17/50/88/536175088.db2.gz BQELWUNXSNWNSG-UHFFFAOYSA-N 1 2 353.850 1.450 20 10 FDCDLO CCOC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194867178 537340956 /nfs/dbraw/zinc/34/09/56/537340956.db2.gz IAQVTLPJAONCJH-UHFFFAOYSA-N 1 2 362.474 1.533 20 10 FDCDLO CCOC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194867178 537340961 /nfs/dbraw/zinc/34/09/61/537340961.db2.gz IAQVTLPJAONCJH-UHFFFAOYSA-N 1 2 362.474 1.533 20 10 FDCDLO COC(=O)COc1ccc([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000273136359 537399486 /nfs/dbraw/zinc/39/94/86/537399486.db2.gz UOXLGGQGWYEPBM-AWEZNQCLSA-N 1 2 370.471 1.346 20 10 FDCDLO COC(=O)COc1ccc([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000273136359 537399495 /nfs/dbraw/zinc/39/94/95/537399495.db2.gz UOXLGGQGWYEPBM-AWEZNQCLSA-N 1 2 370.471 1.346 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285373763 537693242 /nfs/dbraw/zinc/69/32/42/537693242.db2.gz RDKYLQYYOLTQJL-FQEVSTJZSA-N 1 2 361.486 1.592 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285373763 537693244 /nfs/dbraw/zinc/69/32/44/537693244.db2.gz RDKYLQYYOLTQJL-FQEVSTJZSA-N 1 2 361.486 1.592 20 10 FDCDLO COc1cc(N2CC[NH+](Cc3ccnc(OC)n3)CC2)cc(OC)c1OC ZINC000295345209 537712784 /nfs/dbraw/zinc/71/27/84/537712784.db2.gz IERXTRYQOAWQDH-UHFFFAOYSA-N 1 2 374.441 1.833 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285517270 537724935 /nfs/dbraw/zinc/72/49/35/537724935.db2.gz NZQKLEWEJLZQCT-UHFFFAOYSA-N 1 2 355.438 1.969 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285517270 537724936 /nfs/dbraw/zinc/72/49/36/537724936.db2.gz NZQKLEWEJLZQCT-UHFFFAOYSA-N 1 2 355.438 1.969 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1nc(C)no1)cc2=O ZINC000285753985 537755908 /nfs/dbraw/zinc/75/59/08/537755908.db2.gz RTZIHJOTDYKYSC-CYBMUJFWSA-N 1 2 372.385 1.640 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1nc(C)no1)cc2=O ZINC000285753985 537755910 /nfs/dbraw/zinc/75/59/10/537755910.db2.gz RTZIHJOTDYKYSC-CYBMUJFWSA-N 1 2 372.385 1.640 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649984 677501185 /nfs/dbraw/zinc/50/11/85/677501185.db2.gz LYBVEAMKALSFTG-CQSZACIVSA-N 1 2 357.376 1.400 20 10 FDCDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000160992918 777782303 /nfs/dbraw/zinc/78/23/03/777782303.db2.gz PQTPNIVPUSPWCM-LJQANCHMSA-N 1 2 359.470 1.346 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)O[C@@H](C3CC3)C1)cc2=O ZINC000279372069 808954037 /nfs/dbraw/zinc/95/40/37/808954037.db2.gz RXODAHBXCJLGHO-XHDPSFHLSA-N 1 2 360.414 1.611 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)O[C@@H](C3CC3)C1)cc2=O ZINC000279372069 808954040 /nfs/dbraw/zinc/95/40/40/808954040.db2.gz RXODAHBXCJLGHO-XHDPSFHLSA-N 1 2 360.414 1.611 20 10 FDCDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569622 814796929 /nfs/dbraw/zinc/79/69/29/814796929.db2.gz KKSGZXMEDJJFIC-CZUORRHYSA-N 1 2 364.446 1.894 20 10 FDCDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569622 814796930 /nfs/dbraw/zinc/79/69/30/814796930.db2.gz KKSGZXMEDJJFIC-CZUORRHYSA-N 1 2 364.446 1.894 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3c4c(nn3C)CCOC4)CC2)c(OC)c1 ZINC000895817034 822757323 /nfs/dbraw/zinc/75/73/23/822757323.db2.gz KZUTYGNULLTVMF-UHFFFAOYSA-N 1 2 372.469 1.832 20 10 FDCDLO COc1cc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc(OC)c1OC ZINC000760086384 824845962 /nfs/dbraw/zinc/84/59/62/824845962.db2.gz JNADWIJGTUHUGK-UHFFFAOYSA-N 1 2 360.414 1.258 20 10 FDCDLO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000842234969 845835940 /nfs/dbraw/zinc/83/59/40/845835940.db2.gz DAQLIHKBLHWSOJ-RHSMWYFYSA-N 1 2 355.442 1.234 20 10 FDCDLO O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001128704630 882810199 /nfs/dbraw/zinc/81/01/99/882810199.db2.gz SEZFIVINDRJAPG-MFKMUULPSA-N 1 2 366.805 1.695 20 10 FDCDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2C1 ZINC000790156240 933391734 /nfs/dbraw/zinc/39/17/34/933391734.db2.gz BXIPKPUQFHTZEE-KXFIGUGUSA-N 1 2 367.405 1.593 20 10 FDCDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2C1 ZINC000790156240 933391743 /nfs/dbraw/zinc/39/17/43/933391743.db2.gz BXIPKPUQFHTZEE-KXFIGUGUSA-N 1 2 367.405 1.593 20 10 FDCDLO CCNC(=O)CN1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775649169 970846689 /nfs/dbraw/zinc/84/66/89/970846689.db2.gz LZFHYMXDPXSSFZ-UHFFFAOYSA-N 1 2 370.291 1.717 20 10 FDCDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816635121 942293549 /nfs/dbraw/zinc/29/35/49/942293549.db2.gz DEYKGHXWRUVSRI-KRWDZBQOSA-N 1 2 354.397 1.995 20 10 FDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000817848906 943013134 /nfs/dbraw/zinc/01/31/34/943013134.db2.gz GXSBZQYTUINVDN-UHFFFAOYSA-N 1 2 371.485 1.582 20 10 FDCDLO CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000817862562 943050541 /nfs/dbraw/zinc/05/05/41/943050541.db2.gz VCUVMGRGDDPWOE-MRXNPFEDSA-N 1 2 360.502 1.272 20 10 FDCDLO O[C@H](CNc1ccccc1OC[C@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000819425635 943582631 /nfs/dbraw/zinc/58/26/31/943582631.db2.gz FRLGETTXYQKPBB-IAGOWNOFSA-N 1 2 350.459 1.740 20 10 FDCDLO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(Br)c(F)cc1O ZINC001144307910 948621378 /nfs/dbraw/zinc/62/13/78/948621378.db2.gz LMQFCWPDDGRAGA-LBPRGKRZSA-N 1 2 361.211 1.583 20 10 FDCDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(Br)c(F)cc1O ZINC001144307910 948621383 /nfs/dbraw/zinc/62/13/83/948621383.db2.gz LMQFCWPDDGRAGA-LBPRGKRZSA-N 1 2 361.211 1.583 20 10 FDCDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CN1C(=O)CSC1=S ZINC001144849713 951216068 /nfs/dbraw/zinc/21/60/68/951216068.db2.gz FTJOLTIKQWLPAR-UHFFFAOYSA-N 1 2 360.464 1.691 20 10 FDCDLO O=C(c1cc(O)c(O)c(O)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001148582557 952757094 /nfs/dbraw/zinc/75/70/94/952757094.db2.gz KWGJLLYAPMCFIG-CYBMUJFWSA-N 1 2 373.409 1.699 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000852266613 967172040 /nfs/dbraw/zinc/17/20/40/967172040.db2.gz RDTPYQMBXKCXBT-INIZCTEOSA-N 1 2 369.469 1.658 20 10 FDCDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CO1 ZINC000853776653 968306475 /nfs/dbraw/zinc/30/64/75/968306475.db2.gz TWUPJITYTSWLMH-IRXDYDNUSA-N 1 2 358.486 1.971 20 10 FDCDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CO1 ZINC000853776653 968306482 /nfs/dbraw/zinc/30/64/82/968306482.db2.gz TWUPJITYTSWLMH-IRXDYDNUSA-N 1 2 358.486 1.971 20 10 FDCDLO CC(=O)c1cc(Cl)cc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1O ZINC000880999766 979569722 /nfs/dbraw/zinc/56/97/22/979569722.db2.gz SBBPYYFLSTXRAJ-UHFFFAOYSA-N 1 2 364.833 1.763 20 10 FDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862350694 984351559 /nfs/dbraw/zinc/35/15/59/984351559.db2.gz FNRFAOADDVGBAL-UHFFFAOYSA-N 1 2 362.446 1.049 20 10 FDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295406 984999107 /nfs/dbraw/zinc/99/91/07/984999107.db2.gz UMDVOUCMICJBMJ-OWOJBTEDSA-N 1 2 359.470 1.152 20 10 FDCDLO COc1cc(O)c(CN2CC[NH+](CCc3cnccn3)CC2)cc1OC ZINC000872700609 987985993 /nfs/dbraw/zinc/98/59/93/987985993.db2.gz KJUPTHSVNBJZHH-UHFFFAOYSA-N 1 2 358.442 1.560 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000373208100 992005373 /nfs/dbraw/zinc/00/53/73/992005373.db2.gz GLSADDBLFNSYCG-UHFFFAOYSA-N 1 2 361.358 1.127 20 10 FDCDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373370237 992184018 /nfs/dbraw/zinc/18/40/18/992184018.db2.gz PKXDKLAFROFXKZ-QGZVFWFLSA-N 1 2 371.529 1.797 20 10 FDCDLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876550929 992699317 /nfs/dbraw/zinc/69/93/17/992699317.db2.gz IDCLEKLACSRECL-GOSISDBHSA-N 1 2 371.485 1.783 20 10 FDCDLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876550929 992699331 /nfs/dbraw/zinc/69/93/31/992699331.db2.gz IDCLEKLACSRECL-GOSISDBHSA-N 1 2 371.485 1.783 20 10 FDCDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCOC(C)C)CC2)c(O)c1 ZINC000876796408 992916575 /nfs/dbraw/zinc/91/65/75/992916575.db2.gz DKGHRPCLAJSMMR-UHFFFAOYSA-N 1 2 356.488 1.573 20 10 FDCDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)c(F)c1O ZINC000877549561 993333923 /nfs/dbraw/zinc/33/39/23/993333923.db2.gz NZGIFFFVNSDDRX-UHFFFAOYSA-N 1 2 372.393 1.829 20 10 FDCDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)c(F)c1O ZINC000877549561 993333932 /nfs/dbraw/zinc/33/39/32/993333932.db2.gz NZGIFFFVNSDDRX-UHFFFAOYSA-N 1 2 372.393 1.829 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777670151 1001374322 /nfs/dbraw/zinc/37/43/22/1001374322.db2.gz LGBCLEZHNYYHEK-QGZVFWFLSA-N 1 2 369.469 1.876 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000038425433 519634367 /nfs/dbraw/zinc/63/43/67/519634367.db2.gz MXWHPIDAKGUDGC-UHFFFAOYSA-N 1 2 367.497 1.928 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000135729501 524167187 /nfs/dbraw/zinc/16/71/87/524167187.db2.gz HCDHDEUMRAFZHN-OAHLLOKOSA-N 1 2 370.446 1.734 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000135729501 524167194 /nfs/dbraw/zinc/16/71/94/524167194.db2.gz HCDHDEUMRAFZHN-OAHLLOKOSA-N 1 2 370.446 1.734 20 10 FDCDLO CN(C)c1nc(N)nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000083171137 524243335 /nfs/dbraw/zinc/24/33/35/524243335.db2.gz BNYLXLDNAAJMNS-AWEZNQCLSA-N 1 2 358.446 1.407 20 10 FDCDLO CN(C)c1nc(N)nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000083171137 524243347 /nfs/dbraw/zinc/24/33/47/524243347.db2.gz BNYLXLDNAAJMNS-AWEZNQCLSA-N 1 2 358.446 1.407 20 10 FDCDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)[nH+]1 ZINC000154956023 525695492 /nfs/dbraw/zinc/69/54/92/525695492.db2.gz MCLOADMBKQOQQL-UHFFFAOYSA-N 1 2 368.437 1.790 20 10 FDCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)c1O ZINC000180497276 525711444 /nfs/dbraw/zinc/71/14/44/525711444.db2.gz GWGSIVSQCHXLMK-NSHDSACASA-N 1 2 357.248 1.488 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)CC2)cc1 ZINC000185109580 536198857 /nfs/dbraw/zinc/19/88/57/536198857.db2.gz AYQSZOIJFYCYRV-ODCWNRFASA-N 1 2 367.515 1.043 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)CC2)cc1 ZINC000185109580 536198858 /nfs/dbraw/zinc/19/88/58/536198858.db2.gz AYQSZOIJFYCYRV-ODCWNRFASA-N 1 2 367.515 1.043 20 10 FDCDLO COC(=O)[C@]1(F)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000267666800 536987875 /nfs/dbraw/zinc/98/78/75/536987875.db2.gz NTYZGDHEEJDVTO-SFHVURJKSA-N 1 2 351.422 1.298 20 10 FDCDLO COC(=O)[C@]1(F)CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000267666800 536987877 /nfs/dbraw/zinc/98/78/77/536987877.db2.gz NTYZGDHEEJDVTO-SFHVURJKSA-N 1 2 351.422 1.298 20 10 FDCDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268503722 537014565 /nfs/dbraw/zinc/01/45/65/537014565.db2.gz STGXLEGAWBCVGN-MRXNPFEDSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268503722 537014567 /nfs/dbraw/zinc/01/45/67/537014567.db2.gz STGXLEGAWBCVGN-MRXNPFEDSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000268503722 537014569 /nfs/dbraw/zinc/01/45/69/537014569.db2.gz STGXLEGAWBCVGN-MRXNPFEDSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000268503722 537014572 /nfs/dbraw/zinc/01/45/72/537014572.db2.gz STGXLEGAWBCVGN-MRXNPFEDSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268503722 537014574 /nfs/dbraw/zinc/01/45/74/537014574.db2.gz STGXLEGAWBCVGN-MRXNPFEDSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268503722 537014575 /nfs/dbraw/zinc/01/45/75/537014575.db2.gz STGXLEGAWBCVGN-MRXNPFEDSA-N 1 2 356.474 1.675 20 10 FDCDLO CCc1ocnc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000265839100 537175961 /nfs/dbraw/zinc/17/59/61/537175961.db2.gz VHIREBAGEFZKMV-UHFFFAOYSA-N 1 2 358.442 1.798 20 10 FDCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286559792 537436221 /nfs/dbraw/zinc/43/62/21/537436221.db2.gz FDYBWULGJUERNW-UHFFFAOYSA-N 1 2 369.469 1.685 20 10 FDCDLO COc1cc(N2CC[NH+](CC(=O)NCC(C)C)CC2)cc(OC)c1OC ZINC000273543889 537463577 /nfs/dbraw/zinc/46/35/77/537463577.db2.gz AZMWLVVTQMLIRA-UHFFFAOYSA-N 1 2 365.474 1.607 20 10 FDCDLO C[C@H]1CN(c2ccc(CNC(=O)c3c(F)ccc(O)c3O)c[nH+]2)CCO1 ZINC000276491553 537546662 /nfs/dbraw/zinc/54/66/62/537546662.db2.gz AREBQBMAZJUSQK-NSHDSACASA-N 1 2 361.373 1.787 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1nncn1C)C(C)C)cc2=O ZINC000285326252 537684995 /nfs/dbraw/zinc/68/49/95/537684995.db2.gz JIDOYSGCIUQYLE-CQSZACIVSA-N 1 2 373.417 1.227 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1F ZINC000171210922 672052078 /nfs/dbraw/zinc/05/20/78/672052078.db2.gz KVUAWWOLBJMUSZ-UHFFFAOYSA-N 1 2 352.454 1.802 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1F ZINC000171210922 672052082 /nfs/dbraw/zinc/05/20/82/672052082.db2.gz KVUAWWOLBJMUSZ-UHFFFAOYSA-N 1 2 352.454 1.802 20 10 FDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000267444770 673304685 /nfs/dbraw/zinc/30/46/85/673304685.db2.gz JLUOXOCSPNBLPP-UHFFFAOYSA-N 1 2 358.435 1.590 20 10 FDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088046 820180360 /nfs/dbraw/zinc/18/03/60/820180360.db2.gz GTAXAGRONZCXJW-MWLCHTKSSA-N 1 2 362.195 1.650 20 10 FDCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088046 820180369 /nfs/dbraw/zinc/18/03/69/820180369.db2.gz GTAXAGRONZCXJW-MWLCHTKSSA-N 1 2 362.195 1.650 20 10 FDCDLO C[C@@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169186 875326179 /nfs/dbraw/zinc/32/61/79/875326179.db2.gz JTXTVLUIZFJLKJ-XHDPSFHLSA-N 1 2 367.833 1.529 20 10 FDCDLO C[C@@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762169186 875326206 /nfs/dbraw/zinc/32/62/06/875326206.db2.gz JTXTVLUIZFJLKJ-XHDPSFHLSA-N 1 2 367.833 1.529 20 10 FDCDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933068 906010174 /nfs/dbraw/zinc/01/01/74/906010174.db2.gz NUKXBTVNQBPJOA-IAGOWNOFSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933068 906010188 /nfs/dbraw/zinc/01/01/88/906010188.db2.gz NUKXBTVNQBPJOA-IAGOWNOFSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H](C)CS(=O)(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000733315229 920950093 /nfs/dbraw/zinc/95/00/93/920950093.db2.gz FPHKRKSFGGAMRE-INIZCTEOSA-N 1 2 369.531 1.783 20 10 FDCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc3n2CCOC3)c1 ZINC000791008484 933820628 /nfs/dbraw/zinc/82/06/28/933820628.db2.gz XMBMQGGYUNHICU-UHFFFAOYSA-N 1 2 353.220 1.875 20 10 FDCDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824808877 946780978 /nfs/dbraw/zinc/78/09/78/946780978.db2.gz NOEVZKQEMPSNGU-GFCCVEGCSA-N 1 2 363.277 1.668 20 10 FDCDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824808877 946780981 /nfs/dbraw/zinc/78/09/81/946780981.db2.gz NOEVZKQEMPSNGU-GFCCVEGCSA-N 1 2 363.277 1.668 20 10 FDCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(Br)c(F)cc1O ZINC001144298371 948589196 /nfs/dbraw/zinc/58/91/96/948589196.db2.gz CNQUFMWEUVXGQD-UHFFFAOYSA-N 1 2 361.211 1.584 20 10 FDCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Br)c(F)cc1O ZINC001144298371 948589203 /nfs/dbraw/zinc/58/92/03/948589203.db2.gz CNQUFMWEUVXGQD-UHFFFAOYSA-N 1 2 361.211 1.584 20 10 FDCDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)c1cccc(O)c1O)C2 ZINC001148214193 952648901 /nfs/dbraw/zinc/64/89/01/952648901.db2.gz QKWHJGUZDJWLDO-UHFFFAOYSA-N 1 2 359.430 1.576 20 10 FDCDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)c1cccc(O)c1O)C2 ZINC001148214193 952648906 /nfs/dbraw/zinc/64/89/06/952648906.db2.gz QKWHJGUZDJWLDO-UHFFFAOYSA-N 1 2 359.430 1.576 20 10 FDCDLO COCC1(NC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)CCC1 ZINC001184362979 963543401 /nfs/dbraw/zinc/54/34/01/963543401.db2.gz ZGZFTZRNJZLUSW-UHFFFAOYSA-N 1 2 374.437 1.924 20 10 FDCDLO COCC1(NC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)CCC1 ZINC001184362979 963543411 /nfs/dbraw/zinc/54/34/11/963543411.db2.gz ZGZFTZRNJZLUSW-UHFFFAOYSA-N 1 2 374.437 1.924 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCSCC1 ZINC001177698202 963941465 /nfs/dbraw/zinc/94/14/65/963941465.db2.gz RHHLDZSRNBLNJP-UHFFFAOYSA-N 1 2 368.883 1.653 20 10 FDCDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCOCC1 ZINC000774902653 963995180 /nfs/dbraw/zinc/99/51/80/963995180.db2.gz FRRNAALTGCRCML-UHFFFAOYSA-N 1 2 354.359 1.463 20 10 FDCDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCOCC1 ZINC000774902653 963995183 /nfs/dbraw/zinc/99/51/83/963995183.db2.gz FRRNAALTGCRCML-UHFFFAOYSA-N 1 2 354.359 1.463 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852192662 967082028 /nfs/dbraw/zinc/08/20/28/967082028.db2.gz SPHFGYPIUBCEQV-HXUWFJFHSA-N 1 2 372.421 1.130 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852192662 967082042 /nfs/dbraw/zinc/08/20/42/967082042.db2.gz SPHFGYPIUBCEQV-HXUWFJFHSA-N 1 2 372.421 1.130 20 10 FDCDLO CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc(Cl)c1O ZINC000866555120 975784310 /nfs/dbraw/zinc/78/43/10/975784310.db2.gz WAFPCAXDQIHVKZ-WMLDXEAASA-N 1 2 354.834 1.714 20 10 FDCDLO C[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1O ZINC000868131016 977310001 /nfs/dbraw/zinc/31/00/01/977310001.db2.gz WHPRLQNLXBNGQO-KDOFPFPSSA-N 1 2 365.499 1.960 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000862755672 984522198 /nfs/dbraw/zinc/52/21/98/984522198.db2.gz JSEVCAPCSMWGCJ-INIZCTEOSA-N 1 2 358.442 1.814 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000862755672 984522204 /nfs/dbraw/zinc/52/22/04/984522204.db2.gz JSEVCAPCSMWGCJ-INIZCTEOSA-N 1 2 358.442 1.814 20 10 FDCDLO C[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cccc(C(F)(F)F)c1O ZINC000886704589 986488811 /nfs/dbraw/zinc/48/88/11/986488811.db2.gz JQMGPAPKXALJLH-MRVPVSSYSA-N 1 2 353.304 1.993 20 10 FDCDLO COC1CCN(c2ccc(C[NH+]3CCN(C(=O)[C@H](C)O)CC3)cc2)CC1 ZINC000296437843 989207190 /nfs/dbraw/zinc/20/71/90/989207190.db2.gz ZAXXMZJUBAFFLS-INIZCTEOSA-N 1 2 361.486 1.327 20 10 FDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000877923410 993556531 /nfs/dbraw/zinc/55/65/31/993556531.db2.gz OKPQUNHRQUCXRS-UHFFFAOYSA-N 1 2 370.453 1.724 20 10 FDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000877923410 993556537 /nfs/dbraw/zinc/55/65/37/993556537.db2.gz OKPQUNHRQUCXRS-UHFFFAOYSA-N 1 2 370.453 1.724 20 10 FDCDLO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000927029214 996419909 /nfs/dbraw/zinc/41/99/09/996419909.db2.gz ZIQOLRXRSZLVAT-APPZFPTMSA-N 1 2 370.240 1.350 20 10 FDCDLO COc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1O ZINC000271197507 674320983 /nfs/dbraw/zinc/32/09/83/674320983.db2.gz UUAPIKKSTGOBIH-UHFFFAOYSA-N 1 2 367.427 1.036 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCn3cccc3[C@@H]1C)cc2=O ZINC000051960186 523098204 /nfs/dbraw/zinc/09/82/04/523098204.db2.gz SMFAMCSNVSYMNJ-LBPRGKRZSA-N 1 2 355.398 1.990 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCn3cccc3[C@@H]1C)cc2=O ZINC000051960186 523098220 /nfs/dbraw/zinc/09/82/20/523098220.db2.gz SMFAMCSNVSYMNJ-LBPRGKRZSA-N 1 2 355.398 1.990 20 10 FDCDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000078617621 523617839 /nfs/dbraw/zinc/61/78/39/523617839.db2.gz YWKQPMMRKVPDMI-UHFFFAOYSA-N 1 2 369.469 1.004 20 10 FDCDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000078617621 523617840 /nfs/dbraw/zinc/61/78/40/523617840.db2.gz YWKQPMMRKVPDMI-UHFFFAOYSA-N 1 2 369.469 1.004 20 10 FDCDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558250 525601220 /nfs/dbraw/zinc/60/12/20/525601220.db2.gz AGAAFSHZELMEEA-UHFFFAOYSA-N 1 2 351.428 1.504 20 10 FDCDLO CN(C)C(=O)CN1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000129339261 525644937 /nfs/dbraw/zinc/64/49/37/525644937.db2.gz CPEIGGFPALSXQV-UHFFFAOYSA-N 1 2 370.291 1.751 20 10 FDCDLO CN(C)C(=O)CN1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000129339261 525644947 /nfs/dbraw/zinc/64/49/47/525644947.db2.gz CPEIGGFPALSXQV-UHFFFAOYSA-N 1 2 370.291 1.751 20 10 FDCDLO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2COCC[N@@H+]2C)CCCC1 ZINC000628913227 557703336 /nfs/dbraw/zinc/70/33/36/557703336.db2.gz NQHFNKIYHYVSGG-HNNXBMFYSA-N 1 2 371.481 1.976 20 10 FDCDLO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2COCC[N@H+]2C)CCCC1 ZINC000628913227 557703338 /nfs/dbraw/zinc/70/33/38/557703338.db2.gz NQHFNKIYHYVSGG-HNNXBMFYSA-N 1 2 371.481 1.976 20 10 FDCDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@](=O)C1 ZINC000365432821 568666633 /nfs/dbraw/zinc/66/66/33/568666633.db2.gz ODELIFKJKGOAOH-OWJWWREXSA-N 1 2 351.516 1.411 20 10 FDCDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@](=O)C1 ZINC000365432821 568666635 /nfs/dbraw/zinc/66/66/35/568666635.db2.gz ODELIFKJKGOAOH-OWJWWREXSA-N 1 2 351.516 1.411 20 10 FDCDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000289500918 676145784 /nfs/dbraw/zinc/14/57/84/676145784.db2.gz SXCWAFXLYGNEAK-UHFFFAOYSA-N 1 2 373.431 1.213 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000360143277 676862437 /nfs/dbraw/zinc/86/24/37/676862437.db2.gz WZHDWEXVCVWJHQ-GOSISDBHSA-N 1 2 365.499 1.742 20 10 FDCDLO COc1c(O)c(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000372971505 678001458 /nfs/dbraw/zinc/00/14/58/678001458.db2.gz CYDNXQATFSFSFK-LBPRGKRZSA-N 1 2 364.379 1.927 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000529664102 694791096 /nfs/dbraw/zinc/79/10/96/694791096.db2.gz JGJUDCSLEHIZCB-UHFFFAOYSA-N 1 2 357.813 1.355 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000529664102 694791097 /nfs/dbraw/zinc/79/10/97/694791097.db2.gz JGJUDCSLEHIZCB-UHFFFAOYSA-N 1 2 357.813 1.355 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@@H]1CC1CC1)cc2=O ZINC000933209124 776131163 /nfs/dbraw/zinc/13/11/63/776131163.db2.gz BLKLEEVFWVDNAG-AWEZNQCLSA-N 1 2 360.414 1.613 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@@H]1CC1CC1)cc2=O ZINC000933209124 776131171 /nfs/dbraw/zinc/13/11/71/776131171.db2.gz BLKLEEVFWVDNAG-AWEZNQCLSA-N 1 2 360.414 1.613 20 10 FDCDLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000364235276 795511664 /nfs/dbraw/zinc/51/16/64/795511664.db2.gz PEYSLRZOPAGBKE-HNNXBMFYSA-N 1 2 357.414 1.342 20 10 FDCDLO NC(=O)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000364235276 795511666 /nfs/dbraw/zinc/51/16/66/795511666.db2.gz PEYSLRZOPAGBKE-HNNXBMFYSA-N 1 2 357.414 1.342 20 10 FDCDLO COc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc(OC)c1OC ZINC000759879410 795984918 /nfs/dbraw/zinc/98/49/18/795984918.db2.gz VEHWLZBAVPNDIK-UHFFFAOYSA-N 1 2 363.458 1.457 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000729052512 810940610 /nfs/dbraw/zinc/94/06/10/810940610.db2.gz LIKYSPZORBUGEH-ZDUSSCGKSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000729052512 810940615 /nfs/dbraw/zinc/94/06/15/810940615.db2.gz LIKYSPZORBUGEH-ZDUSSCGKSA-N 1 2 351.447 1.872 20 10 FDCDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1O ZINC000894978957 819430380 /nfs/dbraw/zinc/43/03/80/819430380.db2.gz RHLDWTXKQNMGNZ-UHFFFAOYSA-N 1 2 350.444 1.184 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000729624127 834891211 /nfs/dbraw/zinc/89/12/11/834891211.db2.gz SOZZPFNSYYKXRQ-HZSPNIEDSA-N 1 2 351.447 1.870 20 10 FDCDLO CCS(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708197441 886899628 /nfs/dbraw/zinc/89/96/28/886899628.db2.gz RKVYOYSGBUXOSH-UHFFFAOYSA-N 1 2 371.684 1.837 20 10 FDCDLO C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000764798281 905699169 /nfs/dbraw/zinc/69/91/69/905699169.db2.gz CAAVCSDCPPSNSN-GWCFXTLKSA-N 1 2 372.263 1.673 20 10 FDCDLO C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000764798281 905699183 /nfs/dbraw/zinc/69/91/83/905699183.db2.gz CAAVCSDCPPSNSN-GWCFXTLKSA-N 1 2 372.263 1.673 20 10 FDCDLO Cn1ncc2c1nc(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)[nH]c2=O ZINC000732202671 919243168 /nfs/dbraw/zinc/24/31/68/919243168.db2.gz BHRJDACGYDUASX-CQSZACIVSA-N 1 2 369.425 1.956 20 10 FDCDLO Cn1ncc2c1nc(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)[nH]c2=O ZINC000732202671 919243178 /nfs/dbraw/zinc/24/31/78/919243178.db2.gz BHRJDACGYDUASX-CQSZACIVSA-N 1 2 369.425 1.956 20 10 FDCDLO Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(N(C)C)[nH+]1 ZINC000770087923 929831092 /nfs/dbraw/zinc/83/10/92/929831092.db2.gz TVSDLBJBLMIMSO-UHFFFAOYSA-N 1 2 364.427 1.785 20 10 FDCDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789986707 933287266 /nfs/dbraw/zinc/28/72/66/933287266.db2.gz NNCPTLTZYFUSDC-UHFFFAOYSA-N 1 2 360.433 1.769 20 10 FDCDLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000793730056 934255979 /nfs/dbraw/zinc/25/59/79/934255979.db2.gz UDOXRLKZHFGKOK-UHFFFAOYSA-N 1 2 367.453 1.472 20 10 FDCDLO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(Br)cc(F)c1O ZINC000810263931 940969449 /nfs/dbraw/zinc/96/94/49/940969449.db2.gz VHOWQOWWEBRBNE-MRVPVSSYSA-N 1 2 369.256 1.836 20 10 FDCDLO Cc1cc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1N(C)C ZINC000815018259 941755205 /nfs/dbraw/zinc/75/52/05/941755205.db2.gz KMQAUCJVQZDBDX-UHFFFAOYSA-N 1 2 358.486 1.328 20 10 FDCDLO O=S1(=O)CC[C@@H](N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC000816482469 942215570 /nfs/dbraw/zinc/21/55/70/942215570.db2.gz HHVDSKXDTAZMON-QGZVFWFLSA-N 1 2 360.479 1.850 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000816890873 942371423 /nfs/dbraw/zinc/37/14/23/942371423.db2.gz AMKXLBAHFWXIKT-HNNXBMFYSA-N 1 2 372.444 1.862 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000817706063 942900726 /nfs/dbraw/zinc/90/07/26/942900726.db2.gz OHAGUNZWDBQZRW-HOTGVXAUSA-N 1 2 371.485 1.510 20 10 FDCDLO CCNS(=O)(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715713113 958404792 /nfs/dbraw/zinc/40/47/92/958404792.db2.gz OIMWNFGTOAIZOZ-UHFFFAOYSA-N 1 2 355.229 1.323 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3cc[nH]n3)cc12 ZINC001184360858 963542288 /nfs/dbraw/zinc/54/22/88/963542288.db2.gz AGKRYTRYOPSSGS-UHFFFAOYSA-N 1 2 356.382 1.278 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3cc[nH]n3)cc12 ZINC001184360858 963542293 /nfs/dbraw/zinc/54/22/93/963542293.db2.gz AGKRYTRYOPSSGS-UHFFFAOYSA-N 1 2 356.382 1.278 20 10 FDCDLO O=C(NCCc1cc(O)c(O)cc1O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176969825 963623666 /nfs/dbraw/zinc/62/36/66/963623666.db2.gz HNAAKBFNSXBKRZ-AWEZNQCLSA-N 1 2 357.410 1.774 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(c3ncc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000775062806 964883505 /nfs/dbraw/zinc/88/35/05/964883505.db2.gz IDXBEIYRSOAPEU-UHFFFAOYSA-N 1 2 363.349 1.560 20 10 FDCDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1O ZINC000848890349 977225808 /nfs/dbraw/zinc/22/58/08/977225808.db2.gz STJQGZRWDNNMFX-UHFFFAOYSA-N 1 2 365.455 1.590 20 10 FDCDLO COc1ccc(N2CC[C@@H](NS(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000882385635 980607066 /nfs/dbraw/zinc/60/70/66/980607066.db2.gz FRIMMAIWFGOQGK-CQSZACIVSA-N 1 2 350.444 1.090 20 10 FDCDLO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883099790 981945162 /nfs/dbraw/zinc/94/51/62/981945162.db2.gz GQCOAICBCWBWIA-UHFFFAOYSA-N 1 2 352.225 1.818 20 10 FDCDLO Cn1ncnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876942188 992975693 /nfs/dbraw/zinc/97/56/93/992975693.db2.gz VYMCHISHHDDTQB-UHFFFAOYSA-N 1 2 355.364 1.960 20 10 FDCDLO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000876946869 992977775 /nfs/dbraw/zinc/97/77/75/992977775.db2.gz WYUUAGCKGDQKIW-UHFFFAOYSA-N 1 2 369.418 1.193 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283873422 999762822 /nfs/dbraw/zinc/76/28/22/999762822.db2.gz LBPLKQRJHORAJT-OAHLLOKOSA-N 1 2 355.442 1.304 20 10 FDCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000074719037 1007489458 /nfs/dbraw/zinc/48/94/58/1007489458.db2.gz FUCPCUGRQKLGPN-KRWDZBQOSA-N 1 2 369.469 1.493 20 10 FDCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000074719037 1007489463 /nfs/dbraw/zinc/48/94/63/1007489463.db2.gz FUCPCUGRQKLGPN-KRWDZBQOSA-N 1 2 369.469 1.493 20 10 FDCDLO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC000082983548 524223365 /nfs/dbraw/zinc/22/33/65/524223365.db2.gz VEWSYDWDMAYFDB-LJQANCHMSA-N 1 2 371.481 1.859 20 10 FDCDLO C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000127268393 525403976 /nfs/dbraw/zinc/40/39/76/525403976.db2.gz WOVZNCBCIUXFGX-IRXDYDNUSA-N 1 2 358.486 1.971 20 10 FDCDLO C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105205920 525475064 /nfs/dbraw/zinc/47/50/64/525475064.db2.gz DFPJBEIDHPWLRM-KBPBESRZSA-N 1 2 352.454 1.800 20 10 FDCDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000119650294 525817326 /nfs/dbraw/zinc/81/73/26/525817326.db2.gz ZELFXXKKUBZONC-UHFFFAOYSA-N 1 2 354.410 1.728 20 10 FDCDLO COc1cc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)cc(OC)c1OC ZINC000184002162 536079214 /nfs/dbraw/zinc/07/92/14/536079214.db2.gz ATYZPZFUJJVZFO-CQSZACIVSA-N 1 2 364.364 1.758 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)cc1F ZINC000364945963 537402154 /nfs/dbraw/zinc/40/21/54/537402154.db2.gz FYWLKBRHJSTCCG-CQSZACIVSA-N 1 2 358.417 1.942 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](F)C(F)(F)F)CC2)cc1 ZINC000291414115 537586504 /nfs/dbraw/zinc/58/65/04/537586504.db2.gz XGHNUIFGFVLIAR-CQSZACIVSA-N 1 2 363.355 1.834 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000291414115 537586511 /nfs/dbraw/zinc/58/65/11/537586511.db2.gz XGHNUIFGFVLIAR-CQSZACIVSA-N 1 2 363.355 1.834 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285373768 537693157 /nfs/dbraw/zinc/69/31/57/537693157.db2.gz RDKYLQYYOLTQJL-HXUWFJFHSA-N 1 2 361.486 1.592 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285373768 537693159 /nfs/dbraw/zinc/69/31/59/537693159.db2.gz RDKYLQYYOLTQJL-HXUWFJFHSA-N 1 2 361.486 1.592 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285615780 537737768 /nfs/dbraw/zinc/73/77/68/537737768.db2.gz NACVAGDBGPJKBM-CQSZACIVSA-N 1 2 358.435 1.590 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285615780 537737770 /nfs/dbraw/zinc/73/77/70/537737770.db2.gz NACVAGDBGPJKBM-CQSZACIVSA-N 1 2 358.435 1.590 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1F ZINC000368178839 537976347 /nfs/dbraw/zinc/97/63/47/537976347.db2.gz LWEVVZLMJYTDFC-OAHLLOKOSA-N 1 2 350.438 1.554 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1F ZINC000368178839 537976353 /nfs/dbraw/zinc/97/63/53/537976353.db2.gz LWEVVZLMJYTDFC-OAHLLOKOSA-N 1 2 350.438 1.554 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(c3nc(N)ns3)CC2)c1O ZINC000273797406 674572455 /nfs/dbraw/zinc/57/24/55/674572455.db2.gz WPIOGJZRSWHRTJ-UHFFFAOYSA-N 1 2 355.851 1.810 20 10 FDCDLO Cn1c2nnc(C[N@H+](C)Cc3ccccc3O)n2c2ccsc2c1=O ZINC000109771501 671624521 /nfs/dbraw/zinc/62/45/21/671624521.db2.gz UJNPDOJZPVBMQZ-UHFFFAOYSA-N 1 2 355.423 1.980 20 10 FDCDLO Cn1c2nnc(C[N@@H+](C)Cc3ccccc3O)n2c2ccsc2c1=O ZINC000109771501 671624527 /nfs/dbraw/zinc/62/45/27/671624527.db2.gz UJNPDOJZPVBMQZ-UHFFFAOYSA-N 1 2 355.423 1.980 20 10 FDCDLO CCN1C(=O)C(=CNNc2cccc(Cl)[nH+]2)C(=O)N(CC)C1=S ZINC000292039785 676280164 /nfs/dbraw/zinc/28/01/64/676280164.db2.gz RGHFSTPEAMEVCH-UHFFFAOYSA-N 1 2 353.835 1.531 20 10 FDCDLO COCCOC[C@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000294889868 676398144 /nfs/dbraw/zinc/39/81/44/676398144.db2.gz GVISQUWUIBCINI-CQSZACIVSA-N 1 2 361.822 1.045 20 10 FDCDLO COCCOC[C@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000294889868 676398146 /nfs/dbraw/zinc/39/81/46/676398146.db2.gz GVISQUWUIBCINI-CQSZACIVSA-N 1 2 361.822 1.045 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000529663991 694791093 /nfs/dbraw/zinc/79/10/93/694791093.db2.gz GOFOTBVOXXOHTK-UHFFFAOYSA-N 1 2 357.813 1.355 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000529663991 694791094 /nfs/dbraw/zinc/79/10/94/694791094.db2.gz GOFOTBVOXXOHTK-UHFFFAOYSA-N 1 2 357.813 1.355 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000279395646 808969154 /nfs/dbraw/zinc/96/91/54/808969154.db2.gz GSUVNPFQALAWRP-MRXNPFEDSA-N 1 2 360.502 1.931 20 10 FDCDLO O=C(NCCc1ccc(O)c(O)c1)c1cccn1CC[NH+]1CCOCC1 ZINC000907055855 853760774 /nfs/dbraw/zinc/76/07/74/853760774.db2.gz DHEKINMSECEGBH-UHFFFAOYSA-N 1 2 359.426 1.204 20 10 FDCDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084109003 913453849 /nfs/dbraw/zinc/45/38/49/913453849.db2.gz PMVTUEJKVIPSTR-BNOWGMLFSA-N 1 2 351.382 1.372 20 10 FDCDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084109003 913453864 /nfs/dbraw/zinc/45/38/64/913453864.db2.gz PMVTUEJKVIPSTR-BNOWGMLFSA-N 1 2 351.382 1.372 20 10 FDCDLO C[C@@H]1CC[C@H](C(=O)NCCC2=CCN(c3[nH+]cnc4c3cnn4C)CC2)O1 ZINC001089865492 897077886 /nfs/dbraw/zinc/07/78/86/897077886.db2.gz YPHPHTPZAGGHDQ-CZUORRHYSA-N 1 2 370.457 1.574 20 10 FDCDLO Oc1c(I)cccc1C[N@H+]1CCc2nncn2CC1 ZINC001237777175 897388645 /nfs/dbraw/zinc/38/86/45/897388645.db2.gz NJHSCQTVLAHFNY-UHFFFAOYSA-N 1 2 370.194 1.647 20 10 FDCDLO Oc1c(I)cccc1C[N@@H+]1CCc2nncn2CC1 ZINC001237777175 897388665 /nfs/dbraw/zinc/38/86/65/897388665.db2.gz NJHSCQTVLAHFNY-UHFFFAOYSA-N 1 2 370.194 1.647 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000073042691 901146463 /nfs/dbraw/zinc/14/64/63/901146463.db2.gz NINKWGQLJROFQF-UHFFFAOYSA-N 1 2 357.458 1.951 20 10 FDCDLO COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000734073509 922893218 /nfs/dbraw/zinc/89/32/18/922893218.db2.gz QIROWOPVVFSXHN-UHFFFAOYSA-N 1 2 366.377 1.841 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)CC2)cc1 ZINC000791559538 934062045 /nfs/dbraw/zinc/06/20/45/934062045.db2.gz SZCYHDNAOSOGLY-OXQOHEQNSA-N 1 2 373.497 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)CC2)cc1 ZINC000791559538 934062052 /nfs/dbraw/zinc/06/20/52/934062052.db2.gz SZCYHDNAOSOGLY-OXQOHEQNSA-N 1 2 373.497 1.843 20 10 FDCDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)c(C)c1 ZINC000815012530 941752164 /nfs/dbraw/zinc/75/21/64/941752164.db2.gz LXRSBXYTJBLADQ-INIZCTEOSA-N 1 2 367.515 1.186 20 10 FDCDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)c(C)c1 ZINC000815012530 941752170 /nfs/dbraw/zinc/75/21/70/941752170.db2.gz LXRSBXYTJBLADQ-INIZCTEOSA-N 1 2 367.515 1.186 20 10 FDCDLO CN(C)c1ccc(CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)C2CC2)cc1 ZINC000817849517 943012400 /nfs/dbraw/zinc/01/24/00/943012400.db2.gz LCPSQAUCQGUISJ-UHFFFAOYSA-N 1 2 369.469 1.336 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000856210606 970983809 /nfs/dbraw/zinc/98/38/09/970983809.db2.gz JIDZHHDEDWEJPC-MRXNPFEDSA-N 1 2 354.454 1.723 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000819695839 943695507 /nfs/dbraw/zinc/69/55/07/943695507.db2.gz ARDFZBQOAJDQDN-OAHLLOKOSA-N 1 2 357.410 1.743 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3nccnc3C)CC2)cc1 ZINC000824285871 946312023 /nfs/dbraw/zinc/31/20/23/946312023.db2.gz XJLXUXWIKCVALZ-UHFFFAOYSA-N 1 2 355.442 1.346 20 10 FDCDLO O=C(CNC(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675146 947449679 /nfs/dbraw/zinc/44/96/79/947449679.db2.gz HLQBAAUQYBTUQO-LPHOPBHVSA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(CNC(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675146 947449683 /nfs/dbraw/zinc/44/96/83/947449683.db2.gz HLQBAAUQYBTUQO-LPHOPBHVSA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccc(N2CCOCC2)cc1 ZINC000845270280 948940546 /nfs/dbraw/zinc/94/05/46/948940546.db2.gz QUGYFKPUVMXJHS-UHFFFAOYSA-N 1 2 354.454 1.915 20 10 FDCDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)C1 ZINC001173621195 962480016 /nfs/dbraw/zinc/48/00/16/962480016.db2.gz VDUIFQGNBIUALV-YUELXQCFSA-N 1 2 365.426 1.893 20 10 FDCDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1O ZINC001177089232 963679545 /nfs/dbraw/zinc/67/95/45/963679545.db2.gz VBFPDWOOZLAVGU-CQSZACIVSA-N 1 2 360.414 1.868 20 10 FDCDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1O ZINC001177089232 963679550 /nfs/dbraw/zinc/67/95/50/963679550.db2.gz VBFPDWOOZLAVGU-CQSZACIVSA-N 1 2 360.414 1.868 20 10 FDCDLO C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC001203649823 964844895 /nfs/dbraw/zinc/84/48/95/964844895.db2.gz HRODJSLKWHWRSB-CQSZACIVSA-N 1 2 370.291 1.797 20 10 FDCDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000775086391 965038251 /nfs/dbraw/zinc/03/82/51/965038251.db2.gz STJYDNINLMUYIE-UHFFFAOYSA-N 1 2 367.402 1.378 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000852447998 967322644 /nfs/dbraw/zinc/32/26/44/967322644.db2.gz AGGDANAXRRHNFG-SJLPKXTDSA-N 1 2 374.485 1.390 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000852712501 967549430 /nfs/dbraw/zinc/54/94/30/967549430.db2.gz QSAOOJRYDJUFEG-SFHVURJKSA-N 1 2 363.408 1.970 20 10 FDCDLO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000776230328 975219090 /nfs/dbraw/zinc/21/90/90/975219090.db2.gz GESKQHSXKFXQEN-HWPZZCPQSA-N 1 2 355.797 1.995 20 10 FDCDLO CCc1cccc(C[NH+]2CCN(S(=O)(=O)N(CC)CC)CC2)c1O ZINC000848880024 977220580 /nfs/dbraw/zinc/22/05/80/977220580.db2.gz AHTGHTVPKQYZQQ-UHFFFAOYSA-N 1 2 355.504 1.659 20 10 FDCDLO Nc1ccc(Cc2nc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cs2)cc1 ZINC000851644302 978982720 /nfs/dbraw/zinc/98/27/20/978982720.db2.gz NSOWFMPRLBHWIV-INIZCTEOSA-N 1 2 372.494 1.863 20 10 FDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000851716439 979012389 /nfs/dbraw/zinc/01/23/89/979012389.db2.gz MMBVQSIMFFLBIO-ZWKOTPCHSA-N 1 2 352.500 1.921 20 10 FDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000851716439 979012392 /nfs/dbraw/zinc/01/23/92/979012392.db2.gz MMBVQSIMFFLBIO-ZWKOTPCHSA-N 1 2 352.500 1.921 20 10 FDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(N2CCCCC2)cc1 ZINC000883302916 982057735 /nfs/dbraw/zinc/05/77/35/982057735.db2.gz KVZHFCIOJGYRLS-CQSZACIVSA-N 1 2 354.458 1.863 20 10 FDCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Cl)c(Cl)cc1O ZINC000883303761 982060111 /nfs/dbraw/zinc/06/01/11/982060111.db2.gz GBBRSPOUZCLHDA-ZETCQYMHSA-N 1 2 356.213 1.885 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)/C=C/C[NH+]3CCOCC3)C2)cc1 ZINC000868955136 984723170 /nfs/dbraw/zinc/72/31/70/984723170.db2.gz IZJZFEIHFHIIDA-YATRRXNKSA-N 1 2 359.470 1.526 20 10 FDCDLO CC1CC(n2nnc3c2C[N@H+](Cc2cc4c(cc2O)OC[C@@H]4O)CC3)C1 ZINC000872686232 987969792 /nfs/dbraw/zinc/96/97/92/987969792.db2.gz BMDNHEJDDZVGTL-LPSAFJIBSA-N 1 2 356.426 1.939 20 10 FDCDLO CC1CC(n2nnc3c2C[N@@H+](Cc2cc4c(cc2O)OC[C@@H]4O)CC3)C1 ZINC000872686232 987969795 /nfs/dbraw/zinc/96/97/95/987969795.db2.gz BMDNHEJDDZVGTL-LPSAFJIBSA-N 1 2 356.426 1.939 20 10 FDCDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000872754003 988037078 /nfs/dbraw/zinc/03/70/78/988037078.db2.gz TXHDCMVGEYKFFD-DOMZBBRYSA-N 1 2 360.332 1.461 20 10 FDCDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000872754003 988037093 /nfs/dbraw/zinc/03/70/93/988037093.db2.gz TXHDCMVGEYKFFD-DOMZBBRYSA-N 1 2 360.332 1.461 20 10 FDCDLO C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218167 994281367 /nfs/dbraw/zinc/28/13/67/994281367.db2.gz GKWWTWNDEAEOOD-HOCLYGCPSA-N 1 2 363.458 1.148 20 10 FDCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000530106676 539886205 /nfs/dbraw/zinc/88/62/05/539886205.db2.gz ZJRAUWXEDWMJLV-AWEZNQCLSA-N 1 2 351.447 1.525 20 10 FDCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000530106676 539886206 /nfs/dbraw/zinc/88/62/06/539886206.db2.gz ZJRAUWXEDWMJLV-AWEZNQCLSA-N 1 2 351.447 1.525 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1F ZINC000122047668 524440541 /nfs/dbraw/zinc/44/05/41/524440541.db2.gz XJXLRMLOHIPBIC-KRWDZBQOSA-N 1 2 373.432 1.495 20 10 FDCDLO COc1ccc(N2CCCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000171264881 525924463 /nfs/dbraw/zinc/92/44/63/525924463.db2.gz BXICEZSSOZJQMC-KRWDZBQOSA-N 1 2 360.502 1.370 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000184673517 536175488 /nfs/dbraw/zinc/17/54/88/536175488.db2.gz VVILCHNFKBYTPM-AWEZNQCLSA-N 1 2 354.834 1.877 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188700317 536929961 /nfs/dbraw/zinc/92/99/61/536929961.db2.gz NOIIKMDUUBPHGN-UHFFFAOYSA-N 1 2 355.442 1.164 20 10 FDCDLO Cn1ncc2c1nc(NCc1ccc(N3CCOCC3)c(F)c1)[nH+]c2N ZINC000276289334 537396042 /nfs/dbraw/zinc/39/60/42/537396042.db2.gz PYSLNQYXXOLJKJ-UHFFFAOYSA-N 1 2 357.393 1.533 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC(=O)OC)[C@@H](C)CC)cc2=O ZINC000281226638 537516942 /nfs/dbraw/zinc/51/69/42/537516942.db2.gz FDEXKVIQNZMUMQ-NSHDSACASA-N 1 2 364.402 1.385 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC(=O)OC)[C@@H](C)CC)cc2=O ZINC000281226638 537516951 /nfs/dbraw/zinc/51/69/51/537516951.db2.gz FDEXKVIQNZMUMQ-NSHDSACASA-N 1 2 364.402 1.385 20 10 FDCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000376990781 537951689 /nfs/dbraw/zinc/95/16/89/537951689.db2.gz BNMCMSPMXXHPPQ-YJBOKZPZSA-N 1 2 358.486 1.684 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1nccn1C)cc2=O ZINC000372981822 538074427 /nfs/dbraw/zinc/07/44/27/538074427.db2.gz YFNWWXVUZRHESC-CQSZACIVSA-N 1 2 370.413 1.682 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1nccn1C)cc2=O ZINC000372981822 538074434 /nfs/dbraw/zinc/07/44/34/538074434.db2.gz YFNWWXVUZRHESC-CQSZACIVSA-N 1 2 370.413 1.682 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1c1[nH+]ccn1C)cc2=O ZINC000372981822 538074441 /nfs/dbraw/zinc/07/44/41/538074441.db2.gz YFNWWXVUZRHESC-CQSZACIVSA-N 1 2 370.413 1.682 20 10 FDCDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000365432819 568666508 /nfs/dbraw/zinc/66/65/08/568666508.db2.gz ODELIFKJKGOAOH-IZHWHUGBSA-N 1 2 351.516 1.411 20 10 FDCDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000365432819 568666510 /nfs/dbraw/zinc/66/65/10/568666510.db2.gz ODELIFKJKGOAOH-IZHWHUGBSA-N 1 2 351.516 1.411 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278231560 675108719 /nfs/dbraw/zinc/10/87/19/675108719.db2.gz MSRIESKDNJLUJE-UHFFFAOYSA-N 1 2 351.403 1.999 20 10 FDCDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278234205 675108956 /nfs/dbraw/zinc/10/89/56/675108956.db2.gz NCRCPODWBPZYNK-NSHDSACASA-N 1 2 356.400 1.790 20 10 FDCDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278234205 675108957 /nfs/dbraw/zinc/10/89/57/675108957.db2.gz NCRCPODWBPZYNK-NSHDSACASA-N 1 2 356.400 1.790 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc(Br)c1O ZINC000278366747 675127580 /nfs/dbraw/zinc/12/75/80/675127580.db2.gz MCUZOYNFUKVJQV-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000267431624 673303221 /nfs/dbraw/zinc/30/32/21/673303221.db2.gz YYLKJYXKTCDKCL-UHFFFAOYSA-N 1 2 360.863 1.762 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000279012705 675231730 /nfs/dbraw/zinc/23/17/30/675231730.db2.gz FRRQIPPMRXUQEL-MRXNPFEDSA-N 1 2 351.790 1.422 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000279012705 675231733 /nfs/dbraw/zinc/23/17/33/675231733.db2.gz FRRQIPPMRXUQEL-MRXNPFEDSA-N 1 2 351.790 1.422 20 10 FDCDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000283034723 675647568 /nfs/dbraw/zinc/64/75/68/675647568.db2.gz NKEQXKNSZLOYOW-LBPRGKRZSA-N 1 2 351.359 1.278 20 10 FDCDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000283034723 675647570 /nfs/dbraw/zinc/64/75/70/675647570.db2.gz NKEQXKNSZLOYOW-LBPRGKRZSA-N 1 2 351.359 1.278 20 10 FDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294532282 676387743 /nfs/dbraw/zinc/38/77/43/676387743.db2.gz DGFQHJQXIYCIJA-UHFFFAOYSA-N 1 2 351.831 1.203 20 10 FDCDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)c1O ZINC000378444300 678747303 /nfs/dbraw/zinc/74/73/03/678747303.db2.gz PAUFDZLBVFGWEP-GFCCVEGCSA-N 1 2 368.231 1.541 20 10 FDCDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)c1O ZINC000378444300 678747304 /nfs/dbraw/zinc/74/73/04/678747304.db2.gz PAUFDZLBVFGWEP-GFCCVEGCSA-N 1 2 368.231 1.541 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000728609678 785076591 /nfs/dbraw/zinc/07/65/91/785076591.db2.gz OMSKAJVQHLBJON-CYBMUJFWSA-N 1 2 364.427 1.438 20 10 FDCDLO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[NH+](CCO)CC2)CCCC1 ZINC000651084042 792833049 /nfs/dbraw/zinc/83/30/49/792833049.db2.gz WQTJSSZSIDYUFM-UHFFFAOYSA-N 1 2 371.481 1.665 20 10 FDCDLO CC1(C)[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1(=O)=O ZINC000895985759 823903192 /nfs/dbraw/zinc/90/31/92/823903192.db2.gz QDMJFGGNRFFYAP-JTQLQIEISA-N 1 2 352.225 1.959 20 10 FDCDLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922492864 878355797 /nfs/dbraw/zinc/35/57/97/878355797.db2.gz GTQHNUWSQHBHDP-UHFFFAOYSA-N 1 2 358.844 1.332 20 10 FDCDLO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253753 898533810 /nfs/dbraw/zinc/53/38/10/898533810.db2.gz PMVTUEJKVIPSTR-IACUBPJLSA-N 1 2 351.382 1.372 20 10 FDCDLO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253753 898533819 /nfs/dbraw/zinc/53/38/19/898533819.db2.gz PMVTUEJKVIPSTR-IACUBPJLSA-N 1 2 351.382 1.372 20 10 FDCDLO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC001168801452 928108268 /nfs/dbraw/zinc/10/82/68/928108268.db2.gz PDRBFMRYRGYMTJ-KBPBESRZSA-N 1 2 371.489 1.768 20 10 FDCDLO O=S1(=O)CCN(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000789558297 933102545 /nfs/dbraw/zinc/10/25/45/933102545.db2.gz WAVTWWAUFLETPN-UHFFFAOYSA-N 1 2 358.891 1.740 20 10 FDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(Br)ccc1O ZINC000805187568 938690306 /nfs/dbraw/zinc/69/03/06/938690306.db2.gz QSRCYBAMXWFBLH-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cc(Br)ccc1O ZINC000805187568 938690307 /nfs/dbraw/zinc/69/03/07/938690307.db2.gz QSRCYBAMXWFBLH-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(N(C)C)cc1 ZINC000807679033 940454527 /nfs/dbraw/zinc/45/45/27/940454527.db2.gz MHWRNKMPPIJPBZ-CRAIPNDOSA-N 1 2 369.469 1.990 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(N(C)C)cc1 ZINC000807679036 940454635 /nfs/dbraw/zinc/45/46/35/940454635.db2.gz MHWRNKMPPIJPBZ-QAPCUYQASA-N 1 2 369.469 1.990 20 10 FDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(F)c1O ZINC000824999011 947032493 /nfs/dbraw/zinc/03/24/93/947032493.db2.gz CHYGNLSTGOLYIO-LLVKDONJSA-N 1 2 370.392 1.212 20 10 FDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(F)c1O ZINC000824999011 947032505 /nfs/dbraw/zinc/03/25/05/947032505.db2.gz CHYGNLSTGOLYIO-LLVKDONJSA-N 1 2 370.392 1.212 20 10 FDCDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000844404483 948035511 /nfs/dbraw/zinc/03/55/11/948035511.db2.gz CZKNKLVIZBPNIS-HZPDHXFCSA-N 1 2 361.417 1.893 20 10 FDCDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000844404483 948035525 /nfs/dbraw/zinc/03/55/25/948035525.db2.gz CZKNKLVIZBPNIS-HZPDHXFCSA-N 1 2 361.417 1.893 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000844957200 948537309 /nfs/dbraw/zinc/53/73/09/948537309.db2.gz ICSKWRMRPGTXAC-MRXNPFEDSA-N 1 2 364.490 1.494 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000844957200 948537319 /nfs/dbraw/zinc/53/73/19/948537319.db2.gz ICSKWRMRPGTXAC-MRXNPFEDSA-N 1 2 364.490 1.494 20 10 FDCDLO O=C1COC2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)CN1 ZINC001144306663 948614801 /nfs/dbraw/zinc/61/48/01/948614801.db2.gz LEXRJPXIVGKLHW-UHFFFAOYSA-N 1 2 373.222 1.775 20 10 FDCDLO O=C1NC(=O)C2(CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)N1 ZINC001144308124 948621543 /nfs/dbraw/zinc/62/15/43/948621543.db2.gz QJAFDHFIKHPXAV-UHFFFAOYSA-N 1 2 372.194 1.468 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CC[NH+]4CC[C@H]4C3)cc12 ZINC001184360679 963541366 /nfs/dbraw/zinc/54/13/66/963541366.db2.gz JCBLQLAOEIHZRQ-HNNXBMFYSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CC[NH+]4CC[C@H]4C3)cc12 ZINC001184360679 963541377 /nfs/dbraw/zinc/54/13/77/963541377.db2.gz JCBLQLAOEIHZRQ-HNNXBMFYSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[NH+](C)CC(=O)N3CC[N@@H+]4CC[C@H]4C3)cc12 ZINC001184360679 963541382 /nfs/dbraw/zinc/54/13/82/963541382.db2.gz JCBLQLAOEIHZRQ-HNNXBMFYSA-N 1 2 371.437 1.155 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[NH+](C)CC(=O)N3CC[N@H+]4CC[C@H]4C3)cc12 ZINC001184360679 963541387 /nfs/dbraw/zinc/54/13/87/963541387.db2.gz JCBLQLAOEIHZRQ-HNNXBMFYSA-N 1 2 371.437 1.155 20 10 FDCDLO COc1cc(C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc(O)c1O ZINC001193088276 969458001 /nfs/dbraw/zinc/45/80/01/969458001.db2.gz BGOHJDJMKADJHT-UHFFFAOYSA-N 1 2 370.365 1.538 20 10 FDCDLO COc1cc(N2CCN(C(=O)c3cc(O)c(O)c(OC)c3)CC2)cc[nH+]1 ZINC001193098985 969467200 /nfs/dbraw/zinc/46/72/00/969467200.db2.gz YVDXCBXEYGSGCL-UHFFFAOYSA-N 1 2 359.382 1.472 20 10 FDCDLO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000776230343 975219965 /nfs/dbraw/zinc/21/99/65/975219965.db2.gz GESKQHSXKFXQEN-QFYYESIMSA-N 1 2 355.797 1.995 20 10 FDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866603146 975827108 /nfs/dbraw/zinc/82/71/08/975827108.db2.gz GFQLYHOVUGLFLL-CYBMUJFWSA-N 1 2 354.204 1.960 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[NH+](CCO)CC2)ccc1C ZINC000858388988 982022173 /nfs/dbraw/zinc/02/21/73/982022173.db2.gz NMSJDHGEKINLBA-UHFFFAOYSA-N 1 2 369.465 1.965 20 10 FDCDLO C[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(N2CCOCC2)c(F)c1 ZINC000886702841 986486619 /nfs/dbraw/zinc/48/66/19/986486619.db2.gz DVJSNYYYIWIIAD-LBPRGKRZSA-N 1 2 372.404 1.244 20 10 FDCDLO COc1cc(N2CC[NH+](Cc3cnc(N)cn3)CC2)cc(OC)c1OC ZINC000873210077 988650181 /nfs/dbraw/zinc/65/01/81/988650181.db2.gz YTTFTFVFHTTZSU-UHFFFAOYSA-N 1 2 359.430 1.407 20 10 FDCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437191 990113155 /nfs/dbraw/zinc/11/31/55/990113155.db2.gz GSWWUOSRIKTKHG-WDYCEAGBSA-N 1 2 359.470 1.642 20 10 FDCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437191 990113164 /nfs/dbraw/zinc/11/31/64/990113164.db2.gz GSWWUOSRIKTKHG-WDYCEAGBSA-N 1 2 359.470 1.642 20 10 FDCDLO CN(C)c1ccc(C2=CC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)cc1 ZINC000374326540 992773714 /nfs/dbraw/zinc/77/37/14/992773714.db2.gz SRQZQIWWIFQQJN-UHFFFAOYSA-N 1 2 356.470 1.190 20 10 FDCDLO CN(C)c1ccc(C2=CC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)cc1 ZINC000374326540 992773724 /nfs/dbraw/zinc/77/37/24/992773724.db2.gz SRQZQIWWIFQQJN-UHFFFAOYSA-N 1 2 356.470 1.190 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1ccc(F)c(F)c1O)NC[C@@H]1CCCCO1 ZINC000877046688 993028955 /nfs/dbraw/zinc/02/89/55/993028955.db2.gz ORAFBYLQLUYOBI-LBPRGKRZSA-N 1 2 364.414 1.249 20 10 FDCDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)nn1 ZINC000877176619 993089301 /nfs/dbraw/zinc/08/93/01/993089301.db2.gz SWQOSRSKCNZSPK-AWEZNQCLSA-N 1 2 357.458 1.349 20 10 FDCDLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925054158 995265485 /nfs/dbraw/zinc/26/54/85/995265485.db2.gz CHNOKFSVDKVTGZ-LBPRGKRZSA-N 1 2 350.444 1.464 20 10 FDCDLO O=S(=O)(C1CC1)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000530103465 539885374 /nfs/dbraw/zinc/88/53/74/539885374.db2.gz UYUPMMRSOAIPIB-UHFFFAOYSA-N 1 2 350.484 1.881 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3cnn(C)c3)CC2)cc1 ZINC000032540066 519512695 /nfs/dbraw/zinc/51/26/95/519512695.db2.gz VAGVDGWSINAIOF-UHFFFAOYSA-N 1 2 357.458 1.209 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3cnn(C)c3)CC2)cc1 ZINC000032540066 519512704 /nfs/dbraw/zinc/51/27/04/519512704.db2.gz VAGVDGWSINAIOF-UHFFFAOYSA-N 1 2 357.458 1.209 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045968553 522198376 /nfs/dbraw/zinc/19/83/76/522198376.db2.gz QOOXPNOXXHEOPD-UHFFFAOYSA-N 1 2 356.426 1.965 20 10 FDCDLO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1nc(N)nc(N)n1 ZINC000173992561 524502025 /nfs/dbraw/zinc/50/20/25/524502025.db2.gz FQOVVSUTMFOCEQ-UHFFFAOYSA-N 1 2 353.224 1.526 20 10 FDCDLO CC[N@H+](Cc1cc(Br)ccc1O)Cc1nc(N)nc(N)n1 ZINC000173992561 524502033 /nfs/dbraw/zinc/50/20/33/524502033.db2.gz FQOVVSUTMFOCEQ-UHFFFAOYSA-N 1 2 353.224 1.526 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151555627 524612150 /nfs/dbraw/zinc/61/21/50/524612150.db2.gz GUJFVCJTRSFTEQ-HNNXBMFYSA-N 1 2 358.417 1.738 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000177275376 525267811 /nfs/dbraw/zinc/26/78/11/525267811.db2.gz MQGNRIZTIGYYLP-MRXNPFEDSA-N 1 2 359.392 1.710 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000177275376 525267818 /nfs/dbraw/zinc/26/78/18/525267818.db2.gz MQGNRIZTIGYYLP-MRXNPFEDSA-N 1 2 359.392 1.710 20 10 FDCDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCOCC1 ZINC000127267958 525404156 /nfs/dbraw/zinc/40/41/56/525404156.db2.gz WOVZNCBCIUXFGX-DLBZAZTESA-N 1 2 358.486 1.971 20 10 FDCDLO C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105205923 525474897 /nfs/dbraw/zinc/47/48/97/525474897.db2.gz DFPJBEIDHPWLRM-KGLIPLIRSA-N 1 2 352.454 1.800 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130532496 525766927 /nfs/dbraw/zinc/76/69/27/525766927.db2.gz COWZYZMCJIDAJE-KRWDZBQOSA-N 1 2 354.454 1.941 20 10 FDCDLO COc1cc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)cc(OC)c1OC ZINC000184002146 536079064 /nfs/dbraw/zinc/07/90/64/536079064.db2.gz ATYZPZFUJJVZFO-AWEZNQCLSA-N 1 2 364.364 1.758 20 10 FDCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000267612175 536983507 /nfs/dbraw/zinc/98/35/07/536983507.db2.gz RQXBBBJPYLCEAN-UHFFFAOYSA-N 1 2 363.458 1.423 20 10 FDCDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000267612175 536983510 /nfs/dbraw/zinc/98/35/10/536983510.db2.gz RQXBBBJPYLCEAN-UHFFFAOYSA-N 1 2 363.458 1.423 20 10 FDCDLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000276500817 537554857 /nfs/dbraw/zinc/55/48/57/537554857.db2.gz XRFYPMRPHYKESO-CWJYSFMFSA-N 1 2 367.409 1.963 20 10 FDCDLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000276500817 537554863 /nfs/dbraw/zinc/55/48/63/537554863.db2.gz XRFYPMRPHYKESO-CWJYSFMFSA-N 1 2 367.409 1.963 20 10 FDCDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000177280377 672123842 /nfs/dbraw/zinc/12/38/42/672123842.db2.gz COECZEXVRVSDRZ-UHFFFAOYSA-N 1 2 372.462 1.980 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000368285102 677499142 /nfs/dbraw/zinc/49/91/42/677499142.db2.gz SMKYOTVLTGKLAD-ZDUSSCGKSA-N 1 2 357.248 1.680 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000368285102 677499145 /nfs/dbraw/zinc/49/91/45/677499145.db2.gz SMKYOTVLTGKLAD-ZDUSSCGKSA-N 1 2 357.248 1.680 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000515076980 816092817 /nfs/dbraw/zinc/09/28/17/816092817.db2.gz BERGIZORESXPSG-ZDUSSCGKSA-N 1 2 353.426 1.504 20 10 FDCDLO COCC(COC)N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894887684 819122223 /nfs/dbraw/zinc/12/22/23/819122223.db2.gz JEKHXVDKQOUIHX-UHFFFAOYSA-N 1 2 354.447 1.188 20 10 FDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4cccnc4)CC3)cc2N1 ZINC000301624684 827662599 /nfs/dbraw/zinc/66/25/99/827662599.db2.gz PGHDGISFOOKBCM-UHFFFAOYSA-N 1 2 369.381 1.643 20 10 FDCDLO CCN(CC)c1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1F ZINC000897283269 827703081 /nfs/dbraw/zinc/70/30/81/827703081.db2.gz HQVOWQYOYLQTQU-CQSZACIVSA-N 1 2 356.467 1.006 20 10 FDCDLO CCN(CC)c1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1F ZINC000897283269 827703085 /nfs/dbraw/zinc/70/30/85/827703085.db2.gz HQVOWQYOYLQTQU-CQSZACIVSA-N 1 2 356.467 1.006 20 10 FDCDLO Cc1nocc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000841496388 832041830 /nfs/dbraw/zinc/04/18/30/832041830.db2.gz NVNYKOWXLZNDHH-UKTHLTGXSA-N 1 2 353.469 1.907 20 10 FDCDLO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000898358993 840996376 /nfs/dbraw/zinc/99/63/76/840996376.db2.gz LGVCXBYHTZHPCA-WCQYABFASA-N 1 2 373.247 1.694 20 10 FDCDLO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(Br)c(F)cc1O ZINC000761498882 871356959 /nfs/dbraw/zinc/35/69/59/871356959.db2.gz KFBAPYXRWQPSTO-SSDOTTSWSA-N 1 2 360.183 1.496 20 10 FDCDLO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1[NH3+] ZINC001236347640 888167597 /nfs/dbraw/zinc/16/75/97/888167597.db2.gz LEVWPHXFSXALDR-GXSJLCMTSA-N 1 2 363.639 1.740 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC(C)(C)C3)CC2)cc1 ZINC000068475548 889217765 /nfs/dbraw/zinc/21/77/65/889217765.db2.gz ZZWXRZVJVJIQKW-MRXNPFEDSA-N 1 2 361.486 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)OC(C)(C)C3)CC2)cc1 ZINC000068475548 889217783 /nfs/dbraw/zinc/21/77/83/889217783.db2.gz ZZWXRZVJVJIQKW-MRXNPFEDSA-N 1 2 361.486 1.843 20 10 FDCDLO Cc1ccc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nn1 ZINC001089870522 897893572 /nfs/dbraw/zinc/89/35/72/897893572.db2.gz AOOKKYXZKZMVMU-HZPDHXFCSA-N 1 2 352.442 1.955 20 10 FDCDLO Cc1ccc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nn1 ZINC001089870522 897893575 /nfs/dbraw/zinc/89/35/75/897893575.db2.gz AOOKKYXZKZMVMU-HZPDHXFCSA-N 1 2 352.442 1.955 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000788911468 932876181 /nfs/dbraw/zinc/87/61/81/932876181.db2.gz NYVSTJJILSDAKR-MRXNPFEDSA-N 1 2 367.453 1.231 20 10 FDCDLO C[C@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(N(C)C)cc1 ZINC000807677174 940454029 /nfs/dbraw/zinc/45/40/29/940454029.db2.gz MEIGDRKOQQFRSH-GOEBONIOSA-N 1 2 369.469 1.679 20 10 FDCDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824856160 946811925 /nfs/dbraw/zinc/81/19/25/946811925.db2.gz UBJZJWQLPPPGNP-FQEVSTJZSA-N 1 2 361.305 1.651 20 10 FDCDLO O=C(CN1C(=O)CSC1=S)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001144849947 951216788 /nfs/dbraw/zinc/21/67/88/951216788.db2.gz KMAKMSAJZVVRMN-SNVBAGLBSA-N 1 2 363.455 1.179 20 10 FDCDLO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001173436045 962103043 /nfs/dbraw/zinc/10/30/43/962103043.db2.gz QHAOCYLUQQMHMM-OCCSQVGLSA-N 1 2 353.415 1.893 20 10 FDCDLO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)OC)C1 ZINC001173621192 962479864 /nfs/dbraw/zinc/47/98/64/962479864.db2.gz VDUIFQGNBIUALV-CFVMTHIKSA-N 1 2 365.426 1.893 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)CC3(C)COC3)cc12 ZINC001184359190 963542107 /nfs/dbraw/zinc/54/21/07/963542107.db2.gz LLMXXEMEZWDSMN-UHFFFAOYSA-N 1 2 374.437 1.734 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)CC3(C)COC3)cc12 ZINC001184359190 963542112 /nfs/dbraw/zinc/54/21/12/963542112.db2.gz LLMXXEMEZWDSMN-UHFFFAOYSA-N 1 2 374.437 1.734 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@H]3CCCCO3)cc12 ZINC001184362359 963544065 /nfs/dbraw/zinc/54/40/65/963544065.db2.gz QXZVTRXLDYTAML-OAHLLOKOSA-N 1 2 374.437 1.924 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@H]3CCCCO3)cc12 ZINC001184362359 963544076 /nfs/dbraw/zinc/54/40/76/963544076.db2.gz QXZVTRXLDYTAML-OAHLLOKOSA-N 1 2 374.437 1.924 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@](C)(C4CC4)C3)CC2)cc1 ZINC000852324416 967223354 /nfs/dbraw/zinc/22/33/54/967223354.db2.gz STDMWAUVDQVBKJ-NRFANRHFSA-N 1 2 373.497 1.845 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@](C)(C4CC4)C3)CC2)cc1 ZINC000852324416 967223366 /nfs/dbraw/zinc/22/33/66/967223366.db2.gz STDMWAUVDQVBKJ-NRFANRHFSA-N 1 2 373.497 1.845 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC3(CCC3)OC[C@H]1C)cc2=O ZINC000852445032 967317843 /nfs/dbraw/zinc/31/78/43/967317843.db2.gz UJQKCPDQYLYIOL-GFCCVEGCSA-N 1 2 360.414 1.755 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC3(CCC3)OC[C@H]1C)cc2=O ZINC000852445032 967317850 /nfs/dbraw/zinc/31/78/50/967317850.db2.gz UJQKCPDQYLYIOL-GFCCVEGCSA-N 1 2 360.414 1.755 20 10 FDCDLO C[NH+]1CCN(c2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)ncn2)CC1 ZINC001193589292 969752821 /nfs/dbraw/zinc/75/28/21/969752821.db2.gz HIYHTDWPNCYKCS-UHFFFAOYSA-N 1 2 363.805 1.545 20 10 FDCDLO CC(C)N1C(=O)C(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878783 977110666 /nfs/dbraw/zinc/11/06/66/977110666.db2.gz UUQYALHXCMELMV-UHFFFAOYSA-N 1 2 374.441 1.112 20 10 FDCDLO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878783 977110668 /nfs/dbraw/zinc/11/06/68/977110668.db2.gz UUQYALHXCMELMV-UHFFFAOYSA-N 1 2 374.441 1.112 20 10 FDCDLO NC(=O)c1csc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000850384188 978350256 /nfs/dbraw/zinc/35/02/56/978350256.db2.gz PTRGVXNIMILJCX-UHFFFAOYSA-N 1 2 350.419 1.508 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852005682 979264958 /nfs/dbraw/zinc/26/49/58/979264958.db2.gz YNXVMGUILRUQHD-IBGZPJMESA-N 1 2 374.485 1.139 20 10 FDCDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000369707552 989110015 /nfs/dbraw/zinc/11/00/15/989110015.db2.gz UGZVLKJFRVXJLW-QUCCMNQESA-N 1 2 361.486 1.639 20 10 FDCDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000369707552 989110022 /nfs/dbraw/zinc/11/00/22/989110022.db2.gz UGZVLKJFRVXJLW-QUCCMNQESA-N 1 2 361.486 1.639 20 10 FDCDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947705 989464615 /nfs/dbraw/zinc/46/46/15/989464615.db2.gz PKPQQPDCOLBELK-GUXCAODWSA-N 1 2 361.486 1.637 20 10 FDCDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947705 989464620 /nfs/dbraw/zinc/46/46/20/989464620.db2.gz PKPQQPDCOLBELK-GUXCAODWSA-N 1 2 361.486 1.637 20 10 FDCDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877364795 993249648 /nfs/dbraw/zinc/24/96/48/993249648.db2.gz NOFJZNUGBMLIJS-LLVKDONJSA-N 1 2 352.341 1.886 20 10 FDCDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877364795 993249656 /nfs/dbraw/zinc/24/96/56/993249656.db2.gz NOFJZNUGBMLIJS-LLVKDONJSA-N 1 2 352.341 1.886 20 10 FDCDLO COc1ccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000879462910 994928764 /nfs/dbraw/zinc/92/87/64/994928764.db2.gz WAGUTWZRJQBADI-HNNXBMFYSA-N 1 2 368.499 1.651 20 10 FDCDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)C1 ZINC000879484081 994949682 /nfs/dbraw/zinc/94/96/82/994949682.db2.gz RWKZVEIJMMFGJY-QGZVFWFLSA-N 1 2 350.346 1.628 20 10 FDCDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)C1 ZINC000879484081 994949683 /nfs/dbraw/zinc/94/96/83/994949683.db2.gz RWKZVEIJMMFGJY-QGZVFWFLSA-N 1 2 350.346 1.628 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c[nH]c(C)cc3=O)CC2)cc1 ZINC000266901847 999260886 /nfs/dbraw/zinc/26/08/86/999260886.db2.gz ZISLPIRQBPTGMN-UHFFFAOYSA-N 1 2 370.453 1.656 20 10 FDCDLO CN(C)c1ccc(CN(C(=O)C(=O)NCCn2cc[nH+]c2)C2CC2)cc1 ZINC000284071385 999775985 /nfs/dbraw/zinc/77/59/85/999775985.db2.gz SXMZWBMVOOOZJD-UHFFFAOYSA-N 1 2 355.442 1.257 20 10 FDCDLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1 ZINC000247673056 1007048205 /nfs/dbraw/zinc/04/82/05/1007048205.db2.gz QJQZFPZCWBZUAQ-AEFFLSMTSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1 ZINC000247673056 1007048222 /nfs/dbraw/zinc/04/82/22/1007048222.db2.gz QJQZFPZCWBZUAQ-AEFFLSMTSA-N 1 2 361.486 1.843 20 10 FDCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759286 522641636 /nfs/dbraw/zinc/64/16/36/522641636.db2.gz IIJAIPOQRPXUEM-UHFFFAOYSA-N 1 2 360.483 1.789 20 10 FDCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759286 522641649 /nfs/dbraw/zinc/64/16/49/522641649.db2.gz IIJAIPOQRPXUEM-UHFFFAOYSA-N 1 2 360.483 1.789 20 10 FDCDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866251 524332940 /nfs/dbraw/zinc/33/29/40/524332940.db2.gz CJHCYBYOIYLNKR-AWEZNQCLSA-N 1 2 353.438 1.498 20 10 FDCDLO C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000264655246 537147210 /nfs/dbraw/zinc/14/72/10/537147210.db2.gz RJMXZXPQDROEMP-PFWMLDTASA-N 1 2 359.470 1.373 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000283971351 537400042 /nfs/dbraw/zinc/40/00/42/537400042.db2.gz IWQFXUCGWMDEJE-UHFFFAOYSA-N 1 2 357.458 1.541 20 10 FDCDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc(OC)c1OC ZINC000273550743 537469413 /nfs/dbraw/zinc/46/94/13/537469413.db2.gz BXXSLXXEZKLVKL-ZDUSSCGKSA-N 1 2 363.458 1.502 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1OC ZINC000286515628 675896582 /nfs/dbraw/zinc/89/65/82/675896582.db2.gz ZFTQOVQDSVEZHM-CHWSQXEVSA-N 1 2 351.403 1.911 20 10 FDCDLO COC(=O)CN1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000278368904 675127815 /nfs/dbraw/zinc/12/78/15/675127815.db2.gz KKNPUGQHEDWSJP-UHFFFAOYSA-N 1 2 357.248 1.882 20 10 FDCDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000283034720 675647594 /nfs/dbraw/zinc/64/75/94/675647594.db2.gz NKEQXKNSZLOYOW-GFCCVEGCSA-N 1 2 351.359 1.278 20 10 FDCDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000283034720 675647595 /nfs/dbraw/zinc/64/75/95/675647595.db2.gz NKEQXKNSZLOYOW-GFCCVEGCSA-N 1 2 351.359 1.278 20 10 FDCDLO Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(O)c1O ZINC000371180582 677652127 /nfs/dbraw/zinc/65/21/27/677652127.db2.gz LMHUZRIUVAVWNB-QGZVFWFLSA-N 1 2 352.456 1.344 20 10 FDCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC000896568610 824609547 /nfs/dbraw/zinc/60/95/47/824609547.db2.gz AYEVHPOQJWWNNT-QAPCUYQASA-N 1 2 355.486 1.853 20 10 FDCDLO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000896568610 824609548 /nfs/dbraw/zinc/60/95/48/824609548.db2.gz AYEVHPOQJWWNNT-QAPCUYQASA-N 1 2 355.486 1.853 20 10 FDCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC000896568609 824609580 /nfs/dbraw/zinc/60/95/80/824609580.db2.gz AYEVHPOQJWWNNT-MAUKXSAKSA-N 1 2 355.486 1.853 20 10 FDCDLO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000896568609 824609582 /nfs/dbraw/zinc/60/95/82/824609582.db2.gz AYEVHPOQJWWNNT-MAUKXSAKSA-N 1 2 355.486 1.853 20 10 FDCDLO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000172615602 865718576 /nfs/dbraw/zinc/71/85/76/865718576.db2.gz BNSNOKBGFCAIOT-AWEZNQCLSA-N 1 2 352.442 1.762 20 10 FDCDLO C[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000707156912 886770732 /nfs/dbraw/zinc/77/07/32/886770732.db2.gz XTOFIQDVMBIJMF-SNVBAGLBSA-N 1 2 363.277 1.620 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000785438946 908208772 /nfs/dbraw/zinc/20/87/72/908208772.db2.gz IHPUKXCLOSDRHX-UHFFFAOYSA-N 1 2 369.469 1.261 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000788951276 932886059 /nfs/dbraw/zinc/88/60/59/932886059.db2.gz OVCYTPANPWNNQJ-INIZCTEOSA-N 1 2 369.469 1.477 20 10 FDCDLO C[NH+]1CCN(Cc2ccc(CNC(=O)c3c(F)ccc(O)c3O)cc2)CC1 ZINC000790068858 933330873 /nfs/dbraw/zinc/33/08/73/933330873.db2.gz GFRZHFBBGPHOQY-UHFFFAOYSA-N 1 2 373.428 1.914 20 10 FDCDLO CN1CC[NH+](Cc2ccc(CNC(=O)c3c(F)ccc(O)c3O)cc2)CC1 ZINC000790068858 933330885 /nfs/dbraw/zinc/33/08/85/933330885.db2.gz GFRZHFBBGPHOQY-UHFFFAOYSA-N 1 2 373.428 1.914 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000807100636 940249446 /nfs/dbraw/zinc/24/94/46/940249446.db2.gz MHBJQNURHPQMTK-UHFFFAOYSA-N 1 2 357.458 1.422 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000816890422 942371191 /nfs/dbraw/zinc/37/11/91/942371191.db2.gz KLLGKEMOPJXGRX-HNNXBMFYSA-N 1 2 358.417 1.738 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000817860784 943048784 /nfs/dbraw/zinc/04/87/84/943048784.db2.gz VPHTXHVYGZXJCV-MRXNPFEDSA-N 1 2 372.513 1.415 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000819697145 943695571 /nfs/dbraw/zinc/69/55/71/943695571.db2.gz QQKDVIHEUFXKSC-AWEZNQCLSA-N 1 2 366.483 1.721 20 10 FDCDLO CCc1nocc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000824285511 946342414 /nfs/dbraw/zinc/34/24/14/946342414.db2.gz LTDUHVZSOJFIAT-UHFFFAOYSA-N 1 2 358.442 1.798 20 10 FDCDLO C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)n1cc[nH+]c1 ZINC000844346708 947983044 /nfs/dbraw/zinc/98/30/44/947983044.db2.gz KZEVYKYQYMVBJX-WBVHZDCISA-N 1 2 369.469 1.852 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)n3cc[nH+]c3)cc2)CC1 ZINC000844491083 948116671 /nfs/dbraw/zinc/11/66/71/948116671.db2.gz SXTRBFCLAMDDLN-INIZCTEOSA-N 1 2 369.469 1.819 20 10 FDCDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000846120909 950517725 /nfs/dbraw/zinc/51/77/25/950517725.db2.gz GEBKUTCQCWGCGX-UFZAZABTSA-N 1 2 357.410 1.282 20 10 FDCDLO CO[C@@H](C[NH+]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1ccccc1 ZINC001148588134 952760056 /nfs/dbraw/zinc/76/00/56/952760056.db2.gz PFYLGFIMBDVVKA-SFHVURJKSA-N 1 2 372.421 1.949 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001183672327 963214977 /nfs/dbraw/zinc/21/49/77/963214977.db2.gz LAKVNVKQOLGSBU-NWDGAFQWSA-N 1 2 356.400 1.176 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001183672327 963214986 /nfs/dbraw/zinc/21/49/86/963214986.db2.gz LAKVNVKQOLGSBU-NWDGAFQWSA-N 1 2 356.400 1.176 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3nccn3C)cc12 ZINC001184355311 963559168 /nfs/dbraw/zinc/55/91/68/963559168.db2.gz WLKOIJZMOIWBSV-UHFFFAOYSA-N 1 2 370.409 1.289 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3nccn3C)cc12 ZINC001184355311 963559178 /nfs/dbraw/zinc/55/91/78/963559178.db2.gz WLKOIJZMOIWBSV-UHFFFAOYSA-N 1 2 370.409 1.289 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CCOC[C@@H]3C)C2)cc1 ZINC000852192568 967081755 /nfs/dbraw/zinc/08/17/55/967081755.db2.gz VPAMQAVOIATLGW-JKSUJKDBSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CCOC[C@@H]3C)C2)cc1 ZINC000852192568 967081761 /nfs/dbraw/zinc/08/17/61/967081761.db2.gz VPAMQAVOIATLGW-JKSUJKDBSA-N 1 2 362.474 1.294 20 10 FDCDLO CCc1nc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000775375315 967756986 /nfs/dbraw/zinc/75/69/86/967756986.db2.gz OHLHFXLWLRSHDW-UHFFFAOYSA-N 1 2 359.430 1.193 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N(C)CC[NH+]3CCOCC3)C2)cc1 ZINC000854302235 968748769 /nfs/dbraw/zinc/74/87/69/968748769.db2.gz XYEHEZUPTOYGFG-INIZCTEOSA-N 1 2 362.474 1.248 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ncc[nH]3)cc2F)CC1 ZINC000866747148 975988064 /nfs/dbraw/zinc/98/80/64/975988064.db2.gz KNFOYBVXQTZNDL-UHFFFAOYSA-N 1 2 367.450 1.169 20 10 FDCDLO COc1c(N)[nH+]cnc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000848720544 977047640 /nfs/dbraw/zinc/04/76/40/977047640.db2.gz PUQVTXIXRMVKSA-UHFFFAOYSA-N 1 2 351.357 1.794 20 10 FDCDLO COc1c(N)nc[nH+]c1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000848720544 977047645 /nfs/dbraw/zinc/04/76/45/977047645.db2.gz PUQVTXIXRMVKSA-UHFFFAOYSA-N 1 2 351.357 1.794 20 10 FDCDLO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)CC1 ZINC000881853894 980218559 /nfs/dbraw/zinc/21/85/59/980218559.db2.gz NTEMKCWIIMZRLJ-UHFFFAOYSA-N 1 2 370.409 1.982 20 10 FDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cccc(C(F)(F)F)c1O ZINC000883304124 982061398 /nfs/dbraw/zinc/06/13/98/982061398.db2.gz NUFMTHQXYHDOJR-MRVPVSSYSA-N 1 2 355.320 1.597 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(NS(N)(=O)=O)CC2)c1O ZINC000859957047 983121452 /nfs/dbraw/zinc/12/14/52/983121452.db2.gz MVNJXLQUMGWKBS-UHFFFAOYSA-N 1 2 361.851 1.006 20 10 FDCDLO C[S@](=O)CC[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862248106 984281111 /nfs/dbraw/zinc/28/11/11/984281111.db2.gz HPBKKONEAXJTIE-FQEVSTJZSA-N 1 2 361.305 1.651 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)c(OC)c1 ZINC000870165676 985760690 /nfs/dbraw/zinc/76/06/90/985760690.db2.gz JAZOXUBBUWDCCS-HNNXBMFYSA-N 1 2 370.453 1.812 20 10 FDCDLO CN(C)c1ccc(C[NH2+]Cc2nnc3c(=O)[nH]ccn23)c(C(F)(F)F)c1 ZINC000886290916 986030453 /nfs/dbraw/zinc/03/04/53/986030453.db2.gz QWJVGXLVIJVKEY-UHFFFAOYSA-N 1 2 366.347 1.792 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000361503765 988400765 /nfs/dbraw/zinc/40/07/65/988400765.db2.gz PCCRIQWDNIOHQH-UHFFFAOYSA-N 1 2 371.485 1.026 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000361503765 988400769 /nfs/dbraw/zinc/40/07/69/988400769.db2.gz PCCRIQWDNIOHQH-UHFFFAOYSA-N 1 2 371.485 1.026 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000297920809 989776404 /nfs/dbraw/zinc/77/64/04/989776404.db2.gz TYVPEJHYHUCEDP-MRXNPFEDSA-N 1 2 369.469 1.840 20 10 FDCDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876537684 992691009 /nfs/dbraw/zinc/69/10/09/992691009.db2.gz ZLRYOZNQOOLFQG-FQEVSTJZSA-N 1 2 373.497 1.471 20 10 FDCDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC000877712193 993461350 /nfs/dbraw/zinc/46/13/50/993461350.db2.gz HCLGRDLIKHBWOI-QGZVFWFLSA-N 1 2 353.369 1.925 20 10 FDCDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC000877712193 993461358 /nfs/dbraw/zinc/46/13/58/993461358.db2.gz HCLGRDLIKHBWOI-QGZVFWFLSA-N 1 2 353.369 1.925 20 10 FDCDLO COc1ccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000879462914 994928436 /nfs/dbraw/zinc/92/84/36/994928436.db2.gz WAGUTWZRJQBADI-OAHLLOKOSA-N 1 2 368.499 1.651 20 10 FDCDLO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000927029351 996419894 /nfs/dbraw/zinc/41/98/94/996419894.db2.gz ZIQOLRXRSZLVAT-VXNVDRBHSA-N 1 2 370.240 1.350 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000080015859 1010796288 /nfs/dbraw/zinc/79/62/88/1010796288.db2.gz XKVUCLXKDPXPEO-INIZCTEOSA-N 1 2 371.485 1.980 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000270949143 674290750 /nfs/dbraw/zinc/29/07/50/674290750.db2.gz SMHJPLNBPXHJPW-UHFFFAOYSA-N 1 2 365.817 1.764 20 10 FDCDLO COc1cccc(C[NH+]2CCN(S(=O)(=O)CCOC(C)C)CC2)c1O ZINC000271224340 674324580 /nfs/dbraw/zinc/32/45/80/674324580.db2.gz QFZWYJORMAIZFX-UHFFFAOYSA-N 1 2 372.487 1.273 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000091084202 524641134 /nfs/dbraw/zinc/64/11/34/524641134.db2.gz JIJJERGLVVQGGK-UHFFFAOYSA-N 1 2 354.445 1.642 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000091084202 524641147 /nfs/dbraw/zinc/64/11/47/524641147.db2.gz JIJJERGLVVQGGK-UHFFFAOYSA-N 1 2 354.445 1.642 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000091864141 524802731 /nfs/dbraw/zinc/80/27/31/524802731.db2.gz UOJGQFJAAJXFOX-LLVKDONJSA-N 1 2 356.220 1.373 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000091864141 524802740 /nfs/dbraw/zinc/80/27/40/524802740.db2.gz UOJGQFJAAJXFOX-LLVKDONJSA-N 1 2 356.220 1.373 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)cc1F ZINC000177275060 525269009 /nfs/dbraw/zinc/26/90/09/525269009.db2.gz CMGAXRFNCPRDDD-HNNXBMFYSA-N 1 2 364.465 1.119 20 10 FDCDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000155985441 526028170 /nfs/dbraw/zinc/02/81/70/526028170.db2.gz PLQPIWBAGHGSAD-CABCVRRESA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000155985441 526028180 /nfs/dbraw/zinc/02/81/80/526028180.db2.gz PLQPIWBAGHGSAD-CABCVRRESA-N 1 2 365.449 1.388 20 10 FDCDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278257329 537287998 /nfs/dbraw/zinc/28/79/98/537287998.db2.gz QCTRBPZUBLXWHZ-UHFFFAOYSA-N 1 2 354.359 1.199 20 10 FDCDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348952 537401921 /nfs/dbraw/zinc/40/19/21/537401921.db2.gz IFKLZVFOEFKHGJ-UZLBHIALSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348952 537401929 /nfs/dbraw/zinc/40/19/29/537401929.db2.gz IFKLZVFOEFKHGJ-UZLBHIALSA-N 1 2 361.486 1.591 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cc[nH]n3)CC2)cc1 ZINC000286121407 537420530 /nfs/dbraw/zinc/42/05/30/537420530.db2.gz MEFSLVUXGZVJPU-IBGZPJMESA-N 1 2 369.469 1.904 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3cc[nH]n3)CC2)cc1 ZINC000286121407 537420538 /nfs/dbraw/zinc/42/05/38/537420538.db2.gz MEFSLVUXGZVJPU-IBGZPJMESA-N 1 2 369.469 1.904 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1nncn1C)C(C)C)cc2=O ZINC000285326250 537685013 /nfs/dbraw/zinc/68/50/13/537685013.db2.gz JIDOYSGCIUQYLE-AWEZNQCLSA-N 1 2 373.417 1.227 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000285630597 537739047 /nfs/dbraw/zinc/73/90/47/537739047.db2.gz FELYTVVWMMBCPF-UHFFFAOYSA-N 1 2 373.432 1.637 20 10 FDCDLO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000277391640 674933424 /nfs/dbraw/zinc/93/34/24/674933424.db2.gz NRPSCWHQYVHASJ-UHFFFAOYSA-N 1 2 367.833 1.532 20 10 FDCDLO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000093390714 671521631 /nfs/dbraw/zinc/52/16/31/671521631.db2.gz DHMWCEUUZUAOGU-CQSZACIVSA-N 1 2 358.479 1.917 20 10 FDCDLO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000093390714 671521637 /nfs/dbraw/zinc/52/16/37/671521637.db2.gz DHMWCEUUZUAOGU-CQSZACIVSA-N 1 2 358.479 1.917 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000289557734 676152473 /nfs/dbraw/zinc/15/24/73/676152473.db2.gz IVMJTBONINIWKL-UHFFFAOYSA-N 1 2 355.456 1.643 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368651529 677501242 /nfs/dbraw/zinc/50/12/42/677501242.db2.gz VBASACTWOPJAIX-INIZCTEOSA-N 1 2 353.413 1.509 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc(C)nc3C)CC2)cc1 ZINC000271934111 814518663 /nfs/dbraw/zinc/51/86/63/814518663.db2.gz MYNACRPETBKEFE-UHFFFAOYSA-N 1 2 369.469 1.654 20 10 FDCDLO COc1cc(C)cc(C[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1O ZINC000895339888 822502665 /nfs/dbraw/zinc/50/26/65/822502665.db2.gz BYUGUKJERKRCTQ-UHFFFAOYSA-N 1 2 368.480 1.976 20 10 FDCDLO COc1cc(C)cc(C[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1O ZINC000895339888 822502669 /nfs/dbraw/zinc/50/26/69/822502669.db2.gz BYUGUKJERKRCTQ-UHFFFAOYSA-N 1 2 368.480 1.976 20 10 FDCDLO CN1CCN(Cc2cc(Br)cc(F)c2O)CC[N@H+](C)CC1 ZINC000897860007 840558815 /nfs/dbraw/zinc/55/88/15/840558815.db2.gz OUUZQEXZPYNXBC-UHFFFAOYSA-N 1 2 360.271 1.973 20 10 FDCDLO CN1CCN(Cc2cc(Br)cc(F)c2O)CC[N@@H+](C)CC1 ZINC000897860007 840558826 /nfs/dbraw/zinc/55/88/26/840558826.db2.gz OUUZQEXZPYNXBC-UHFFFAOYSA-N 1 2 360.271 1.973 20 10 FDCDLO O=C1NC(=O)C2(C[NH+](Cc3ccc4c(c3)CCN4Cc3ccccc3)C2)N1 ZINC000897903861 840563999 /nfs/dbraw/zinc/56/39/99/840563999.db2.gz IDFYBCKFUUTYPK-UHFFFAOYSA-N 1 2 362.433 1.643 20 10 FDCDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(C)n1-c1ccccn1 ZINC000913443848 862121260 /nfs/dbraw/zinc/12/12/60/862121260.db2.gz VIUXHPUWQVGDNA-KRWDZBQOSA-N 1 2 350.426 1.999 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)/C=C(\C)C[NH+]3CCOCC3)C2)cc1 ZINC000911276992 858396941 /nfs/dbraw/zinc/39/69/41/858396941.db2.gz QHKABTXODUKOMC-KJCUYJGMSA-N 1 2 373.497 1.916 20 10 FDCDLO COc1ccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000760844547 863345142 /nfs/dbraw/zinc/34/51/42/863345142.db2.gz PWQITYFPHQSMIO-AWEZNQCLSA-N 1 2 356.463 1.781 20 10 FDCDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000703130779 884472554 /nfs/dbraw/zinc/47/25/54/884472554.db2.gz AEZALSRZGVDUJW-LBPRGKRZSA-N 1 2 363.277 1.668 20 10 FDCDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000703130779 884472581 /nfs/dbraw/zinc/47/25/81/884472581.db2.gz AEZALSRZGVDUJW-LBPRGKRZSA-N 1 2 363.277 1.668 20 10 FDCDLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000785984498 931696381 /nfs/dbraw/zinc/69/63/81/931696381.db2.gz HCPIVSQSLMGZON-AWEZNQCLSA-N 1 2 368.459 1.448 20 10 FDCDLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000785984498 931696385 /nfs/dbraw/zinc/69/63/85/931696385.db2.gz HCPIVSQSLMGZON-AWEZNQCLSA-N 1 2 368.459 1.448 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(Br)ccc1O ZINC000804916039 938606216 /nfs/dbraw/zinc/60/62/16/938606216.db2.gz UVMMMXTYTRZEGY-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816890874 942371684 /nfs/dbraw/zinc/37/16/84/942371684.db2.gz AMKXLBAHFWXIKT-OAHLLOKOSA-N 1 2 372.444 1.862 20 10 FDCDLO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cscn3)CC2)cc1 ZINC000818987675 943374009 /nfs/dbraw/zinc/37/40/09/943374009.db2.gz HAZFBFSXHLVINQ-QGZVFWFLSA-N 1 2 362.499 1.424 20 10 FDCDLO CO[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184358648 963541748 /nfs/dbraw/zinc/54/17/48/963541748.db2.gz BIBQYFOXYGRGSB-OAHLLOKOSA-N 1 2 374.437 1.876 20 10 FDCDLO CO[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184358648 963541751 /nfs/dbraw/zinc/54/17/51/963541751.db2.gz BIBQYFOXYGRGSB-OAHLLOKOSA-N 1 2 374.437 1.876 20 10 FDCDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCN1c1nccn2cnnc12 ZINC001179980844 965051302 /nfs/dbraw/zinc/05/13/02/965051302.db2.gz SIBYBFPUXNKXRY-LLVKDONJSA-N 1 2 360.368 1.819 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC4(CCC4)OC[C@H]3C)CC2)cc1 ZINC000852441693 967314437 /nfs/dbraw/zinc/31/44/37/967314437.db2.gz QEGUHDCPPIYEHL-QGZVFWFLSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CC4(CCC4)OC[C@H]3C)CC2)cc1 ZINC000852441693 967314444 /nfs/dbraw/zinc/31/44/44/967314444.db2.gz QEGUHDCPPIYEHL-QGZVFWFLSA-N 1 2 373.497 1.987 20 10 FDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864930566 973954575 /nfs/dbraw/zinc/95/45/75/973954575.db2.gz DJWIYMKYEVMGPU-OWOJBTEDSA-N 1 2 363.433 1.167 20 10 FDCDLO COc1ccc(N2CCN(C(=O)NCc3c[nH+]cn3C)CC2)c(OC)c1 ZINC000868622806 977832129 /nfs/dbraw/zinc/83/21/29/977832129.db2.gz FFLGIDJCQSVSNE-UHFFFAOYSA-N 1 2 359.430 1.469 20 10 FDCDLO COCc1n[nH]c(C[NH2+]Cc2cc(Br)cc(OC)c2O)n1 ZINC000850361432 978336935 /nfs/dbraw/zinc/33/69/35/978336935.db2.gz ZSJDFEXKVBZNDT-UHFFFAOYSA-N 1 2 357.208 1.718 20 10 FDCDLO CNC(=O)CN1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882887667 981777012 /nfs/dbraw/zinc/77/70/12/981777012.db2.gz BYTCPNNGAODNOJ-UHFFFAOYSA-N 1 2 374.254 1.594 20 10 FDCDLO COc1ccc(N2CCN(C(=O)CN3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000859308650 982700480 /nfs/dbraw/zinc/70/04/80/982700480.db2.gz OJSIHVXKHWALNL-UHFFFAOYSA-N 1 2 355.442 1.125 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000860717201 983493649 /nfs/dbraw/zinc/49/36/49/983493649.db2.gz ZKBMMZSFBBZAMJ-UHFFFAOYSA-N 1 2 359.430 1.551 20 10 FDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862551255 984410261 /nfs/dbraw/zinc/41/02/61/984410261.db2.gz KMGJNMWUFRAGQY-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862551255 984410268 /nfs/dbraw/zinc/41/02/68/984410268.db2.gz KMGJNMWUFRAGQY-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)c(OC)c1 ZINC000870165140 985759817 /nfs/dbraw/zinc/75/98/17/985759817.db2.gz PEYCIAPMOITBBM-OAHLLOKOSA-N 1 2 370.453 1.812 20 10 FDCDLO CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000365824298 988116048 /nfs/dbraw/zinc/11/60/48/988116048.db2.gz NHBDFNCHRLLWPI-UHFFFAOYSA-N 1 2 374.397 1.834 20 10 FDCDLO CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000365824298 988116054 /nfs/dbraw/zinc/11/60/54/988116054.db2.gz NHBDFNCHRLLWPI-UHFFFAOYSA-N 1 2 374.397 1.834 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)ccc21 ZINC000366175950 988508759 /nfs/dbraw/zinc/50/87/59/988508759.db2.gz BJWYYFPPLBMQCN-GOSISDBHSA-N 1 2 358.486 1.731 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)ccc21 ZINC000366175950 988508768 /nfs/dbraw/zinc/50/87/68/988508768.db2.gz BJWYYFPPLBMQCN-GOSISDBHSA-N 1 2 358.486 1.731 20 10 FDCDLO CCCN(Cc1ccccc1O)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000364749955 989762675 /nfs/dbraw/zinc/76/26/75/989762675.db2.gz ZJPXYRWVUAZPGW-UHFFFAOYSA-N 1 2 372.469 1.973 20 10 FDCDLO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CC[NH2+]CC1=O ZINC000876503363 992670985 /nfs/dbraw/zinc/67/09/85/992670985.db2.gz HQJXSUVOAFLCML-INIZCTEOSA-N 1 2 358.486 1.456 20 10 FDCDLO COC(=O)c1cn(C2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)nn1 ZINC000877346266 993234907 /nfs/dbraw/zinc/23/49/07/993234907.db2.gz QLEPJJKUJHPNRJ-UHFFFAOYSA-N 1 2 352.341 1.886 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3nnc4c(=O)[nH]ccn34)CC2)cc1 ZINC000877984807 993591643 /nfs/dbraw/zinc/59/16/43/993591643.db2.gz PDLNNIVCTBHCCT-UHFFFAOYSA-N 1 2 354.414 1.139 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc4c(=O)[nH]ccn34)CC2)cc1 ZINC000877984807 993591650 /nfs/dbraw/zinc/59/16/50/993591650.db2.gz PDLNNIVCTBHCCT-UHFFFAOYSA-N 1 2 354.414 1.139 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1 ZINC000878874477 994311734 /nfs/dbraw/zinc/31/17/34/994311734.db2.gz KMYGWYSSXGTQHV-SFHVURJKSA-N 1 2 373.501 1.452 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccnn1C)cc2=O ZINC000932260448 1004856993 /nfs/dbraw/zinc/85/69/93/1004856993.db2.gz DEKCFECZFZPEPY-HNNXBMFYSA-N 1 2 370.413 1.682 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccnn1C)cc2=O ZINC000932260448 1004856997 /nfs/dbraw/zinc/85/69/97/1004856997.db2.gz DEKCFECZFZPEPY-HNNXBMFYSA-N 1 2 370.413 1.682 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000934939679 1005818756 /nfs/dbraw/zinc/81/87/56/1005818756.db2.gz BPELMJFQKSPOOO-JOQOYGCGSA-N 1 2 364.442 1.458 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000156794338 524150815 /nfs/dbraw/zinc/15/08/15/524150815.db2.gz LTWBVRFUAQZXIE-UHFFFAOYSA-N 1 2 356.470 1.601 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](CCO)Cc2cccnc2)cc1 ZINC000156794338 524150816 /nfs/dbraw/zinc/15/08/16/524150816.db2.gz LTWBVRFUAQZXIE-UHFFFAOYSA-N 1 2 356.470 1.601 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121180712 524178092 /nfs/dbraw/zinc/17/80/92/524178092.db2.gz CRTKEHODNYZQGG-UHFFFAOYSA-N 1 2 372.513 1.655 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121180712 524178100 /nfs/dbraw/zinc/17/81/00/524178100.db2.gz CRTKEHODNYZQGG-UHFFFAOYSA-N 1 2 372.513 1.655 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOC4(CCC4)C3)CC2)cc1 ZINC000179586679 525603657 /nfs/dbraw/zinc/60/36/57/525603657.db2.gz XAYTVLOBLOEXGH-UHFFFAOYSA-N 1 2 359.470 1.599 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOC4(CCC4)C3)CC2)cc1 ZINC000179586679 525603665 /nfs/dbraw/zinc/60/36/65/525603665.db2.gz XAYTVLOBLOEXGH-UHFFFAOYSA-N 1 2 359.470 1.599 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106580770 525761062 /nfs/dbraw/zinc/76/10/62/525761062.db2.gz CZYHESYKEQOWEP-QGZVFWFLSA-N 1 2 361.534 1.920 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](c3ccn[nH]3)C1)cc2=O ZINC000193590615 537252099 /nfs/dbraw/zinc/25/20/99/537252099.db2.gz KVSGRLHOKHYDET-LBPRGKRZSA-N 1 2 370.413 1.714 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](c3ccn[nH]3)C1)cc2=O ZINC000193590615 537252101 /nfs/dbraw/zinc/25/21/01/537252101.db2.gz KVSGRLHOKHYDET-LBPRGKRZSA-N 1 2 370.413 1.714 20 10 FDCDLO COC(=O)COc1ccc([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000273136362 537399568 /nfs/dbraw/zinc/39/95/68/537399568.db2.gz UOXLGGQGWYEPBM-CQSZACIVSA-N 1 2 370.471 1.346 20 10 FDCDLO COC(=O)COc1ccc([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000273136362 537399576 /nfs/dbraw/zinc/39/95/76/537399576.db2.gz UOXLGGQGWYEPBM-CQSZACIVSA-N 1 2 370.471 1.346 20 10 FDCDLO C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818798 605994450 /nfs/dbraw/zinc/99/44/50/605994450.db2.gz MIFNFUOEBJSHBC-CRAIPNDOSA-N 1 2 362.474 1.295 20 10 FDCDLO C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818798 605994451 /nfs/dbraw/zinc/99/44/51/605994451.db2.gz MIFNFUOEBJSHBC-CRAIPNDOSA-N 1 2 362.474 1.295 20 10 FDCDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866996 671480209 /nfs/dbraw/zinc/48/02/09/671480209.db2.gz OGVQIQHTJCSUQP-GFCCVEGCSA-N 1 2 352.410 1.191 20 10 FDCDLO O=C(NCc1cccc(Cl)c1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000890762367 771634262 /nfs/dbraw/zinc/63/42/62/771634262.db2.gz AKQYBMMHSCQFKL-HIFRSBDPSA-N 1 2 354.834 1.542 20 10 FDCDLO COc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c(O)c1OC ZINC000891670715 778886814 /nfs/dbraw/zinc/88/68/14/778886814.db2.gz IPSUTZZFYBUFCT-UHFFFAOYSA-N 1 2 357.410 1.762 20 10 FDCDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947706 794681930 /nfs/dbraw/zinc/68/19/30/794681930.db2.gz PKPQQPDCOLBELK-JXXFODFXSA-N 1 2 361.486 1.637 20 10 FDCDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947706 794681938 /nfs/dbraw/zinc/68/19/38/794681938.db2.gz PKPQQPDCOLBELK-JXXFODFXSA-N 1 2 361.486 1.637 20 10 FDCDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000893995730 809848186 /nfs/dbraw/zinc/84/81/86/809848186.db2.gz ZVWHZSKCLGRQDZ-GFCCVEGCSA-N 1 2 370.396 1.904 20 10 FDCDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000893995730 809848192 /nfs/dbraw/zinc/84/81/92/809848192.db2.gz ZVWHZSKCLGRQDZ-GFCCVEGCSA-N 1 2 370.396 1.904 20 10 FDCDLO NC(=O)C1CCN(c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2)CC1 ZINC000894596881 818237785 /nfs/dbraw/zinc/23/77/85/818237785.db2.gz FXAWLDXISGTTOU-UHFFFAOYSA-N 1 2 369.469 1.681 20 10 FDCDLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC000894596368 818237852 /nfs/dbraw/zinc/23/78/52/818237852.db2.gz XBWMRPDELRZZLO-CQSZACIVSA-N 1 2 372.194 1.468 20 10 FDCDLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC000894596368 818237859 /nfs/dbraw/zinc/23/78/59/818237859.db2.gz XBWMRPDELRZZLO-CQSZACIVSA-N 1 2 372.194 1.468 20 10 FDCDLO CCOC(=O)c1cc2c[nH+]c(NCCc3cc(O)c(O)cc3O)nc2[nH]1 ZINC001168005674 820304935 /nfs/dbraw/zinc/30/49/35/820304935.db2.gz FMFNQYYSRWWVMV-UHFFFAOYSA-N 1 2 358.354 1.858 20 10 FDCDLO CCc1cc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000896329981 824336207 /nfs/dbraw/zinc/33/62/07/824336207.db2.gz DZCJEYPZMYGXJN-UHFFFAOYSA-N 1 2 358.442 1.798 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000729624130 834890701 /nfs/dbraw/zinc/89/07/01/834890701.db2.gz SOZZPFNSYYKXRQ-MELADBBJSA-N 1 2 351.447 1.870 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)CCc3c[nH+]cn3C)cc2)CC1 ZINC000282056345 838333616 /nfs/dbraw/zinc/33/36/16/838333616.db2.gz ZGSREOBLVKYMIZ-UHFFFAOYSA-N 1 2 369.469 1.338 20 10 FDCDLO Cn1nccc1[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000897559153 839503602 /nfs/dbraw/zinc/50/36/02/839503602.db2.gz RXTBAQFLNKEGEH-LJQANCHMSA-N 1 2 360.433 1.969 20 10 FDCDLO Cn1nccc1[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000897559153 839503612 /nfs/dbraw/zinc/50/36/12/839503612.db2.gz RXTBAQFLNKEGEH-LJQANCHMSA-N 1 2 360.433 1.969 20 10 FDCDLO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000842234971 845836060 /nfs/dbraw/zinc/83/60/60/845836060.db2.gz DAQLIHKBLHWSOJ-WMLDXEAASA-N 1 2 355.442 1.234 20 10 FDCDLO COc1ccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000760844554 863345256 /nfs/dbraw/zinc/34/52/56/863345256.db2.gz PWQITYFPHQSMIO-CQSZACIVSA-N 1 2 356.463 1.781 20 10 FDCDLO COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000788565998 932741131 /nfs/dbraw/zinc/74/11/31/932741131.db2.gz QYBUWZSLZDFDQB-DYLGSBMWSA-N 1 2 363.414 1.938 20 10 FDCDLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)ccc(O)c1O ZINC000789947254 933263530 /nfs/dbraw/zinc/26/35/30/933263530.db2.gz TWLPDYHZCNWDFW-UHFFFAOYSA-N 1 2 360.385 1.999 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3cnn(C)c3C)CC2)cc1 ZINC000790444443 933555768 /nfs/dbraw/zinc/55/57/68/933555768.db2.gz GEHQTUJJOOLZEC-UHFFFAOYSA-N 1 2 371.485 1.518 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3cnn(C)c3C)CC2)cc1 ZINC000790444443 933555776 /nfs/dbraw/zinc/55/57/76/933555776.db2.gz GEHQTUJJOOLZEC-UHFFFAOYSA-N 1 2 371.485 1.518 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(O)c3O)CC2)cc1 ZINC000790707854 933695098 /nfs/dbraw/zinc/69/50/98/933695098.db2.gz QBFZSCCRSGSIQG-UHFFFAOYSA-N 1 2 371.437 1.658 20 10 FDCDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000811925700 941173110 /nfs/dbraw/zinc/17/31/10/941173110.db2.gz ZORXWACPVMZPRL-OAHLLOKOSA-N 1 2 370.457 1.121 20 10 FDCDLO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816600141 942271915 /nfs/dbraw/zinc/27/19/15/942271915.db2.gz MHAZBBQUITXBEF-NOZJJQNGSA-N 1 2 350.843 1.992 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)cc1F ZINC000844134859 947787949 /nfs/dbraw/zinc/78/79/49/947787949.db2.gz KOFGUQDPFIGVBR-AWEZNQCLSA-N 1 2 358.417 1.942 20 10 FDCDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000846120907 950518454 /nfs/dbraw/zinc/51/84/54/950518454.db2.gz GEBKUTCQCWGCGX-RRFAQUSLSA-N 1 2 357.410 1.282 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774272611 961967866 /nfs/dbraw/zinc/96/78/66/961967866.db2.gz ROPTUGYHJOSNFO-UHFFFAOYSA-N 1 2 361.405 1.965 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3CCO[C@H](C)C3)cc12 ZINC001184359301 963541433 /nfs/dbraw/zinc/54/14/33/963541433.db2.gz DANNWWSYOTVZPK-HIFRSBDPSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3CCO[C@H](C)C3)cc12 ZINC001184359301 963541440 /nfs/dbraw/zinc/54/14/40/963541440.db2.gz DANNWWSYOTVZPK-HIFRSBDPSA-N 1 2 374.437 1.923 20 10 FDCDLO COc1ncccc1S(=O)(=O)Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001194705600 970330725 /nfs/dbraw/zinc/33/07/25/970330725.db2.gz KNPYAZFZUWIERL-UHFFFAOYSA-N 1 2 362.455 1.643 20 10 FDCDLO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000866457382 975673658 /nfs/dbraw/zinc/67/36/58/975673658.db2.gz NBINJPMCIWCPRO-QMMMGPOBSA-N 1 2 369.256 1.884 20 10 FDCDLO C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1O ZINC000868131017 977309542 /nfs/dbraw/zinc/30/95/42/977309542.db2.gz WHPRLQNLXBNGQO-KSSFIOAISA-N 1 2 365.499 1.960 20 10 FDCDLO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000850355238 978332669 /nfs/dbraw/zinc/33/26/69/978332669.db2.gz BXODBDYMNHPXAB-UHFFFAOYSA-N 1 2 363.487 1.131 20 10 FDCDLO CC(C)NS(=O)(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882984727 981860031 /nfs/dbraw/zinc/86/00/31/981860031.db2.gz RBOJHKGSNWRGAU-UHFFFAOYSA-N 1 2 369.256 1.711 20 10 FDCDLO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883186509 982004011 /nfs/dbraw/zinc/00/40/11/982004011.db2.gz UGHREOGTBPNKDU-ZDUSSCGKSA-N 1 2 374.254 1.723 20 10 FDCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cccc(C(F)(F)F)c1O ZINC000883304125 982060739 /nfs/dbraw/zinc/06/07/39/982060739.db2.gz NUFMTHQXYHDOJR-QMMMGPOBSA-N 1 2 355.320 1.597 20 10 FDCDLO CCOCc1cc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)ccc1OC ZINC000883334261 982080191 /nfs/dbraw/zinc/08/01/91/982080191.db2.gz RPAAFUOROYBSMS-UHFFFAOYSA-N 1 2 357.414 1.263 20 10 FDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862248107 984281731 /nfs/dbraw/zinc/28/17/31/984281731.db2.gz HPBKKONEAXJTIE-HXUWFJFHSA-N 1 2 361.305 1.651 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366159995 988490142 /nfs/dbraw/zinc/49/01/42/988490142.db2.gz CTZWXSFFMARHSR-IBGZPJMESA-N 1 2 356.470 1.725 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366159995 988490158 /nfs/dbraw/zinc/49/01/58/988490158.db2.gz CTZWXSFFMARHSR-IBGZPJMESA-N 1 2 356.470 1.725 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000368569057 988998104 /nfs/dbraw/zinc/99/81/04/988998104.db2.gz JZRPTCGLVZZNAC-GOSISDBHSA-N 1 2 368.481 1.971 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCN(C4CCOCC4)C3=O)CC2)cc1 ZINC000370044729 989411218 /nfs/dbraw/zinc/41/12/18/989411218.db2.gz HBJSCZBCAOFAIU-LJQANCHMSA-N 1 2 359.470 1.597 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC000875007009 990718619 /nfs/dbraw/zinc/71/86/19/990718619.db2.gz PWNATWFQUNGXBJ-IBGZPJMESA-N 1 2 366.465 1.672 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC000875007009 990718632 /nfs/dbraw/zinc/71/86/32/990718632.db2.gz PWNATWFQUNGXBJ-IBGZPJMESA-N 1 2 366.465 1.672 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000875679762 991903786 /nfs/dbraw/zinc/90/37/86/991903786.db2.gz RNXPKDTTYUBRKK-HUUCEWRRSA-N 1 2 355.442 1.642 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777459785 999095834 /nfs/dbraw/zinc/09/58/34/999095834.db2.gz RCHGFSPBCGPVSC-HNNXBMFYSA-N 1 2 373.432 1.673 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3oc(C)nc3C)CC2)cc1 ZINC000266793248 999235167 /nfs/dbraw/zinc/23/51/67/999235167.db2.gz BQUALKPHLGWELJ-UHFFFAOYSA-N 1 2 358.442 1.852 20 10 FDCDLO COc1cc(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc(OC)c1OC ZINC000273928492 999733864 /nfs/dbraw/zinc/73/38/64/999733864.db2.gz JFGZZKRHKHYRIZ-UHFFFAOYSA-N 1 2 374.441 1.648 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000778243136 1005743734 /nfs/dbraw/zinc/74/37/34/1005743734.db2.gz SUIXCDXPPYOONA-IBGZPJMESA-N 1 2 361.486 1.701 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000778243136 1005743737 /nfs/dbraw/zinc/74/37/37/1005743737.db2.gz SUIXCDXPPYOONA-IBGZPJMESA-N 1 2 361.486 1.701 20 10 FDCDLO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cn1cc[nH+]c1 ZINC000271354377 674336110 /nfs/dbraw/zinc/33/61/10/674336110.db2.gz HXBIXMHXNQXNKS-NSHDSACASA-N 1 2 352.416 1.026 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOCC34CCC4)CC2)cc1 ZINC000135509564 524148724 /nfs/dbraw/zinc/14/87/24/524148724.db2.gz SOALPWCHAPNDDJ-UHFFFAOYSA-N 1 2 359.470 1.599 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOCC34CCC4)CC2)cc1 ZINC000135509564 524148732 /nfs/dbraw/zinc/14/87/32/524148732.db2.gz SOALPWCHAPNDDJ-UHFFFAOYSA-N 1 2 359.470 1.599 20 10 FDCDLO Cn1cc(N2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2=O)cn1 ZINC000093530437 524990086 /nfs/dbraw/zinc/99/00/86/524990086.db2.gz PFHNQNKPNJFRLQ-UHFFFAOYSA-N 1 2 355.442 1.106 20 10 FDCDLO Cn1cc(N2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2=O)cn1 ZINC000093530437 524990098 /nfs/dbraw/zinc/99/00/98/524990098.db2.gz PFHNQNKPNJFRLQ-UHFFFAOYSA-N 1 2 355.442 1.106 20 10 FDCDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000118830653 525553261 /nfs/dbraw/zinc/55/32/61/525553261.db2.gz KDAWRCYOSXHAKH-UHFFFAOYSA-N 1 2 360.502 1.559 20 10 FDCDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000118830653 525553270 /nfs/dbraw/zinc/55/32/70/525553270.db2.gz KDAWRCYOSXHAKH-UHFFFAOYSA-N 1 2 360.502 1.559 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000276181445 537321127 /nfs/dbraw/zinc/32/11/27/537321127.db2.gz VDOKHVAGSQUBSZ-UHFFFAOYSA-N 1 2 355.442 1.258 20 10 FDCDLO CCOc1cccc(C[NH+]2CCN(S(=O)(=O)CCCOC)CC2)c1O ZINC000271380510 537435010 /nfs/dbraw/zinc/43/50/10/537435010.db2.gz ROAGNEXNUIQFHZ-UHFFFAOYSA-N 1 2 372.487 1.275 20 10 FDCDLO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294285313 537680217 /nfs/dbraw/zinc/68/02/17/537680217.db2.gz PCEDZNYFPPETAR-UHFFFAOYSA-N 1 2 350.843 1.946 20 10 FDCDLO OC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2F)CC1 ZINC000823704456 599415156 /nfs/dbraw/zinc/41/51/56/599415156.db2.gz BAJYSHBOOJTSGZ-UHFFFAOYSA-N 1 2 372.404 1.850 20 10 FDCDLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000157042465 671963833 /nfs/dbraw/zinc/96/38/33/671963833.db2.gz PAROZAWRPUAKGP-INIZCTEOSA-N 1 2 368.474 1.814 20 10 FDCDLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000157042465 671963837 /nfs/dbraw/zinc/96/38/37/671963837.db2.gz PAROZAWRPUAKGP-INIZCTEOSA-N 1 2 368.474 1.814 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292089276 676282791 /nfs/dbraw/zinc/28/27/91/676282791.db2.gz FHPSQPSBBRPLNW-CYBMUJFWSA-N 1 2 360.863 1.714 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292089276 676282793 /nfs/dbraw/zinc/28/27/93/676282793.db2.gz FHPSQPSBBRPLNW-CYBMUJFWSA-N 1 2 360.863 1.714 20 10 FDCDLO CC[C@H](CO)Nc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000891443615 777525672 /nfs/dbraw/zinc/52/56/72/777525672.db2.gz JSILKXWTTVMBJZ-OAHLLOKOSA-N 1 2 357.458 1.995 20 10 FDCDLO CC[C@H](CO)Nc1cc(N2CCN(c3ccc(OC)cc3)CC2)[nH+]cn1 ZINC000891443615 777525675 /nfs/dbraw/zinc/52/56/75/777525675.db2.gz JSILKXWTTVMBJZ-OAHLLOKOSA-N 1 2 357.458 1.995 20 10 FDCDLO Cc1cn2cc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc2[nH+]1 ZINC000785294326 804810553 /nfs/dbraw/zinc/81/05/53/804810553.db2.gz MHLJSKSLQOKFIV-LLVKDONJSA-N 1 2 368.393 1.740 20 10 FDCDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569625 814796911 /nfs/dbraw/zinc/79/69/11/814796911.db2.gz KKSGZXMEDJJFIC-XJKSGUPXSA-N 1 2 364.446 1.894 20 10 FDCDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569625 814796912 /nfs/dbraw/zinc/79/69/12/814796912.db2.gz KKSGZXMEDJJFIC-XJKSGUPXSA-N 1 2 364.446 1.894 20 10 FDCDLO Cc1nnc(CN2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)[nH]1 ZINC000895267126 822352763 /nfs/dbraw/zinc/35/27/63/822352763.db2.gz PQPYWPKMSZGONS-UHFFFAOYSA-N 1 2 374.464 1.407 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CC3(F)CC3)CC2)cc1 ZINC000914102803 870772245 /nfs/dbraw/zinc/77/22/45/870772245.db2.gz XVOUFCIDKGEAMG-UHFFFAOYSA-N 1 2 371.478 1.239 20 10 FDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000915365701 876156237 /nfs/dbraw/zinc/15/62/37/876156237.db2.gz HJINCNPLUFRTAH-OAHLLOKOSA-N 1 2 352.454 1.802 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)cc2=O ZINC000746465592 928076176 /nfs/dbraw/zinc/07/61/76/928076176.db2.gz XXFRTNZRYWKCGE-AWEZNQCLSA-N 1 2 374.319 1.111 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)cc2=O ZINC000746465592 928076188 /nfs/dbraw/zinc/07/61/88/928076188.db2.gz XXFRTNZRYWKCGE-AWEZNQCLSA-N 1 2 374.319 1.111 20 10 FDCDLO O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000819168219 943458595 /nfs/dbraw/zinc/45/85/95/943458595.db2.gz NHIMCRIBDYYVEA-HNNXBMFYSA-N 1 2 352.394 1.830 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000823576729 945832298 /nfs/dbraw/zinc/83/22/98/945832298.db2.gz WTQAXDLQMNGIKJ-OAHLLOKOSA-N 1 2 363.410 1.993 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000823576729 945832306 /nfs/dbraw/zinc/83/23/06/945832306.db2.gz WTQAXDLQMNGIKJ-OAHLLOKOSA-N 1 2 363.410 1.993 20 10 FDCDLO O=C(CNC(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675148 947450182 /nfs/dbraw/zinc/45/01/82/947450182.db2.gz HLQBAAUQYBTUQO-VQIMIIECSA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(CNC(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675148 947450189 /nfs/dbraw/zinc/45/01/89/947450189.db2.gz HLQBAAUQYBTUQO-VQIMIIECSA-N 1 2 370.405 1.032 20 10 FDCDLO C[C@H](CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)n1cc[nH+]c1 ZINC000844346702 947983041 /nfs/dbraw/zinc/98/30/41/947983041.db2.gz KZEVYKYQYMVBJX-NVXWUHKLSA-N 1 2 369.469 1.852 20 10 FDCDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515393 949806441 /nfs/dbraw/zinc/80/64/41/949806441.db2.gz MXCWUUBFHVWDKM-NSHDSACASA-N 1 2 354.403 1.529 20 10 FDCDLO CC(C)(C)OC(=O)NC[C@H]1COCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144515393 949806465 /nfs/dbraw/zinc/80/64/65/949806465.db2.gz MXCWUUBFHVWDKM-NSHDSACASA-N 1 2 354.403 1.529 20 10 FDCDLO O=S1(=O)CCCN1CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715770060 958417434 /nfs/dbraw/zinc/41/74/34/958417434.db2.gz MTIDPMZWRKNLCT-UHFFFAOYSA-N 1 2 367.240 1.419 20 10 FDCDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715813126 958480958 /nfs/dbraw/zinc/48/09/58/958480958.db2.gz MCQUYWQITRLGCK-WDEREUQCSA-N 1 2 368.224 1.195 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@@H]3CCCCO3)cc12 ZINC001184362358 963543548 /nfs/dbraw/zinc/54/35/48/963543548.db2.gz QXZVTRXLDYTAML-HNNXBMFYSA-N 1 2 374.437 1.924 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@@H]3CCCCO3)cc12 ZINC001184362358 963543555 /nfs/dbraw/zinc/54/35/55/963543555.db2.gz QXZVTRXLDYTAML-HNNXBMFYSA-N 1 2 374.437 1.924 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCC3(O)CCC3)cc12 ZINC001184361619 963544158 /nfs/dbraw/zinc/54/41/58/963544158.db2.gz XXWSGHTWDALSDQ-UHFFFAOYSA-N 1 2 360.410 1.270 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCC3(O)CCC3)cc12 ZINC001184361619 963544163 /nfs/dbraw/zinc/54/41/63/963544163.db2.gz XXWSGHTWDALSDQ-UHFFFAOYSA-N 1 2 360.410 1.270 20 10 FDCDLO COc1c(O)c(C[NH2+]Cc2nnnn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000774984132 964334448 /nfs/dbraw/zinc/33/44/48/964334448.db2.gz RMCFHVDLPZLHHA-UHFFFAOYSA-N 1 2 356.342 1.575 20 10 FDCDLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186841371 964765252 /nfs/dbraw/zinc/76/52/52/964765252.db2.gz QIEYPWYIWGVWRF-KRWDZBQOSA-N 1 2 371.437 1.729 20 10 FDCDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186841371 964765261 /nfs/dbraw/zinc/76/52/61/964765261.db2.gz QIEYPWYIWGVWRF-KRWDZBQOSA-N 1 2 371.437 1.729 20 10 FDCDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179691665 964945294 /nfs/dbraw/zinc/94/52/94/964945294.db2.gz ZXKLKAXBUONESR-PXYYCUNGSA-N 1 2 359.382 1.135 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC3(CCC3)OC[C@@H]1C)cc2=O ZINC000852445033 967317374 /nfs/dbraw/zinc/31/73/74/967317374.db2.gz UJQKCPDQYLYIOL-LBPRGKRZSA-N 1 2 360.414 1.755 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC3(CCC3)OC[C@@H]1C)cc2=O ZINC000852445033 967317382 /nfs/dbraw/zinc/31/73/82/967317382.db2.gz UJQKCPDQYLYIOL-LBPRGKRZSA-N 1 2 360.414 1.755 20 10 FDCDLO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCc4[nH]ncc43)cc2)CC1 ZINC000881851457 980212846 /nfs/dbraw/zinc/21/28/46/980212846.db2.gz VDMFOEVSLKXEML-KRWDZBQOSA-N 1 2 353.470 1.898 20 10 FDCDLO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000883105063 981948980 /nfs/dbraw/zinc/94/89/80/981948980.db2.gz WUXIGSJQVAXUQR-QMMMGPOBSA-N 1 2 362.611 1.528 20 10 FDCDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862550205 984409511 /nfs/dbraw/zinc/40/95/11/984409511.db2.gz CNESYRNHWCYNSE-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862550205 984409517 /nfs/dbraw/zinc/40/95/17/984409517.db2.gz CNESYRNHWCYNSE-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO COc1ccc(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)c(OC)c1 ZINC000870167804 985764786 /nfs/dbraw/zinc/76/47/86/985764786.db2.gz PWLSHGQUZCGGMH-UHFFFAOYSA-N 1 2 358.442 1.719 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871218325 986795754 /nfs/dbraw/zinc/79/57/54/986795754.db2.gz NFCQXSOUGVODKL-DUXPYHPUSA-N 1 2 354.410 1.288 20 10 FDCDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947704 989464746 /nfs/dbraw/zinc/46/47/46/989464746.db2.gz PKPQQPDCOLBELK-GQIGUUNPSA-N 1 2 361.486 1.637 20 10 FDCDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947704 989464751 /nfs/dbraw/zinc/46/47/51/989464751.db2.gz PKPQQPDCOLBELK-GQIGUUNPSA-N 1 2 361.486 1.637 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1ccc(F)c(F)c1O)NCc1ccccc1 ZINC000876984706 992996439 /nfs/dbraw/zinc/99/64/39/992996439.db2.gz LXPRNVJPAHZISH-UHFFFAOYSA-N 1 2 356.394 1.880 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)CC2)c(OC)c1 ZINC000879462420 994927982 /nfs/dbraw/zinc/92/79/82/994927982.db2.gz ODUXAQSSYKGGEL-UHFFFAOYSA-N 1 2 369.425 1.362 20 10 FDCDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463605 994929878 /nfs/dbraw/zinc/92/98/78/994929878.db2.gz JKCGLDUDHOVZJN-HNNXBMFYSA-N 1 2 365.474 1.367 20 10 FDCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000271051914 999653507 /nfs/dbraw/zinc/65/35/07/999653507.db2.gz QDXNHQKSJLCQBH-UHFFFAOYSA-N 1 2 363.458 1.497 20 10 FDCDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000271051914 999653509 /nfs/dbraw/zinc/65/35/09/999653509.db2.gz QDXNHQKSJLCQBH-UHFFFAOYSA-N 1 2 363.458 1.497 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2)CC1 ZINC000287996659 999980667 /nfs/dbraw/zinc/98/06/67/999980667.db2.gz GMVNDUNKLTYURQ-UHFFFAOYSA-N 1 2 355.442 1.327 20 10 FDCDLO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934942751 1005819366 /nfs/dbraw/zinc/81/93/66/1005819366.db2.gz CBKRSPUQHBIYKO-UZLBHIALSA-N 1 2 374.481 1.767 20 10 FDCDLO CCOc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)CCCOC)CC2)c1 ZINC000271397218 674340107 /nfs/dbraw/zinc/34/01/07/674340107.db2.gz VCFBJKDXYBREON-UHFFFAOYSA-N 1 2 372.487 1.275 20 10 FDCDLO COc1cc(Cl)cc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1O ZINC000359963502 533952695 /nfs/dbraw/zinc/95/26/95/533952695.db2.gz ZNGHASKQJKYNPH-OAHLLOKOSA-N 1 2 367.877 1.841 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)c1O ZINC000359963502 533952708 /nfs/dbraw/zinc/95/27/08/533952708.db2.gz ZNGHASKQJKYNPH-OAHLLOKOSA-N 1 2 367.877 1.841 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000038588228 519635330 /nfs/dbraw/zinc/63/53/30/519635330.db2.gz BDAXGHANWBIACI-UHFFFAOYSA-N 1 2 374.397 1.748 20 10 FDCDLO CCC[N@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000069009888 521782559 /nfs/dbraw/zinc/78/25/59/521782559.db2.gz WLEAIVXAVOQCLG-INIZCTEOSA-N 1 2 368.499 1.640 20 10 FDCDLO CCC[N@@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000069009888 521782567 /nfs/dbraw/zinc/78/25/67/521782567.db2.gz WLEAIVXAVOQCLG-INIZCTEOSA-N 1 2 368.499 1.640 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1F ZINC000084867004 524333594 /nfs/dbraw/zinc/33/35/94/524333594.db2.gz GEJGKICFSIWQRV-HOCLYGCPSA-N 1 2 365.449 1.640 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)cc1F ZINC000084866795 524333625 /nfs/dbraw/zinc/33/36/25/524333625.db2.gz OZFXIFJXIFBZKW-ZDUSSCGKSA-N 1 2 366.437 1.579 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(c4cc(C)nn4C)C3=O)CC2)cc1 ZINC000173465324 524397560 /nfs/dbraw/zinc/39/75/60/524397560.db2.gz QTEQOBKJOZFUPF-SFHVURJKSA-N 1 2 369.469 1.665 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000152302445 524840134 /nfs/dbraw/zinc/84/01/34/524840134.db2.gz UBHPJEAIIAKTTE-RBUKOAKNSA-N 1 2 361.486 1.591 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000152302445 524840146 /nfs/dbraw/zinc/84/01/46/524840146.db2.gz UBHPJEAIIAKTTE-RBUKOAKNSA-N 1 2 361.486 1.591 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1F ZINC000177275073 525269119 /nfs/dbraw/zinc/26/91/19/525269119.db2.gz CMGAXRFNCPRDDD-OAHLLOKOSA-N 1 2 364.465 1.119 20 10 FDCDLO Cc1cc(Cl)cc(C[N@H+](C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1O ZINC000179769335 525629625 /nfs/dbraw/zinc/62/96/25/525629625.db2.gz IBHZVFHMWFBCNI-ZDUSSCGKSA-N 1 2 360.863 1.089 20 10 FDCDLO Cc1cc(Cl)cc(C[N@@H+](C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1O ZINC000179769335 525629630 /nfs/dbraw/zinc/62/96/30/525629630.db2.gz IBHZVFHMWFBCNI-ZDUSSCGKSA-N 1 2 360.863 1.089 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1O)NC[C@@H]1CCCCO1 ZINC000182252649 526111564 /nfs/dbraw/zinc/11/15/64/526111564.db2.gz HZPYDQFPQLNCJE-ZDUSSCGKSA-N 1 2 362.879 1.624 20 10 FDCDLO CNC(=O)[C@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000182458607 526180292 /nfs/dbraw/zinc/18/02/92/526180292.db2.gz YTHYSBLXWUAJEU-GFCCVEGCSA-N 1 2 359.220 1.110 20 10 FDCDLO CNC(=O)[C@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)CCO1 ZINC000182458607 526180299 /nfs/dbraw/zinc/18/02/99/526180299.db2.gz YTHYSBLXWUAJEU-GFCCVEGCSA-N 1 2 359.220 1.110 20 10 FDCDLO O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1CC[NH+]1CCOCC1 ZINC000264386362 537143272 /nfs/dbraw/zinc/14/32/72/537143272.db2.gz QKTHLWVVEOVXII-PTNGSMBKSA-N 1 2 374.491 1.868 20 10 FDCDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283911844 537392438 /nfs/dbraw/zinc/39/24/38/537392438.db2.gz GRVIHPDRIMJNBP-UHFFFAOYSA-N 1 2 369.469 1.648 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1F ZINC000283939330 537393560 /nfs/dbraw/zinc/39/35/60/537393560.db2.gz CYFFWIQECNJESZ-AWEZNQCLSA-N 1 2 356.463 1.781 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000285656154 537742227 /nfs/dbraw/zinc/74/22/27/537742227.db2.gz HILUMRVCTBUCMR-MRXNPFEDSA-N 1 2 373.432 1.985 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000583637610 551380589 /nfs/dbraw/zinc/38/05/89/551380589.db2.gz FFWQVCOZAXMBAY-CQSZACIVSA-N 1 2 365.437 1.431 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000278756526 675190922 /nfs/dbraw/zinc/19/09/22/675190922.db2.gz BGXSKAGTBYKXOD-OAHLLOKOSA-N 1 2 370.446 1.734 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000278756526 675190926 /nfs/dbraw/zinc/19/09/26/675190926.db2.gz BGXSKAGTBYKXOD-OAHLLOKOSA-N 1 2 370.446 1.734 20 10 FDCDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131496585 671804440 /nfs/dbraw/zinc/80/44/40/671804440.db2.gz WYWQONKWDDYPHE-AWEZNQCLSA-N 1 2 369.893 1.704 20 10 FDCDLO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCN1S(C)(=O)=O ZINC000182961565 672221179 /nfs/dbraw/zinc/22/11/79/672221179.db2.gz YGZXQTUCHYPWOD-LBPRGKRZSA-N 1 2 356.488 1.861 20 10 FDCDLO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCN1S(C)(=O)=O ZINC000182961565 672221182 /nfs/dbraw/zinc/22/11/82/672221182.db2.gz YGZXQTUCHYPWOD-LBPRGKRZSA-N 1 2 356.488 1.861 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)CSC(F)F)CC2)cc1 ZINC000294642862 676393726 /nfs/dbraw/zinc/39/37/26/676393726.db2.gz GVELVCWCFNXCQU-UHFFFAOYSA-N 1 2 359.442 1.889 20 10 FDCDLO C[NH+]1CCN(c2ncccc2CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276610401 778405220 /nfs/dbraw/zinc/40/52/20/778405220.db2.gz PKHSSDROWQUYSB-UHFFFAOYSA-N 1 2 360.389 1.314 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377214332 791271401 /nfs/dbraw/zinc/27/14/01/791271401.db2.gz LYTHSWRQYLVOPR-OXQOHEQNSA-N 1 2 361.486 1.639 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377214332 791271407 /nfs/dbraw/zinc/27/14/07/791271407.db2.gz LYTHSWRQYLVOPR-OXQOHEQNSA-N 1 2 361.486 1.639 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000194999740 796073387 /nfs/dbraw/zinc/07/33/87/796073387.db2.gz KWRBEXANGMDKQV-HXUWFJFHSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000194999740 796073398 /nfs/dbraw/zinc/07/33/98/796073398.db2.gz KWRBEXANGMDKQV-HXUWFJFHSA-N 1 2 373.497 1.987 20 10 FDCDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569615 814796907 /nfs/dbraw/zinc/79/69/07/814796907.db2.gz KKSGZXMEDJJFIC-BBRMVZONSA-N 1 2 364.446 1.894 20 10 FDCDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569615 814796908 /nfs/dbraw/zinc/79/69/08/814796908.db2.gz KKSGZXMEDJJFIC-BBRMVZONSA-N 1 2 364.446 1.894 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168229559 834703965 /nfs/dbraw/zinc/70/39/65/834703965.db2.gz UWODIJUDXFWEIH-RDJZCZTQSA-N 1 2 357.406 1.948 20 10 FDCDLO O=c1ccn(CCC[NH2+]Cc2cc(Br)cc(F)c2O)c(=O)[nH]1 ZINC000898325514 840946434 /nfs/dbraw/zinc/94/64/34/840946434.db2.gz JCMVAOSUIKBSQL-UHFFFAOYSA-N 1 2 372.194 1.736 20 10 FDCDLO COc1ccc(O)c([C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000766055240 882298737 /nfs/dbraw/zinc/29/87/37/882298737.db2.gz QOZPALFZGGVTSY-ZDUSSCGKSA-N 1 2 358.460 1.104 20 10 FDCDLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000804146390 886556974 /nfs/dbraw/zinc/55/69/74/886556974.db2.gz RQEWFQAXXJBUQP-INIZCTEOSA-N 1 2 371.466 1.626 20 10 FDCDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000804146390 886556984 /nfs/dbraw/zinc/55/69/84/886556984.db2.gz RQEWFQAXXJBUQP-INIZCTEOSA-N 1 2 371.466 1.626 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)cc1 ZINC001084104350 913434815 /nfs/dbraw/zinc/43/48/15/913434815.db2.gz QTKBWSULGQIBDY-ZRVSXXMZSA-N 1 2 351.794 1.376 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)cc1 ZINC001084104350 913434822 /nfs/dbraw/zinc/43/48/22/913434822.db2.gz QTKBWSULGQIBDY-ZRVSXXMZSA-N 1 2 351.794 1.376 20 10 FDCDLO Cc1nccc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)n1 ZINC001089864207 896973384 /nfs/dbraw/zinc/97/33/84/896973384.db2.gz SISGPGUNQOTFFM-IAGOWNOFSA-N 1 2 366.469 1.965 20 10 FDCDLO C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000764798283 905699368 /nfs/dbraw/zinc/69/93/68/905699368.db2.gz CAAVCSDCPPSNSN-GXFFZTMASA-N 1 2 372.263 1.673 20 10 FDCDLO C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000764798283 905699408 /nfs/dbraw/zinc/69/94/08/905699408.db2.gz CAAVCSDCPPSNSN-GXFFZTMASA-N 1 2 372.263 1.673 20 10 FDCDLO COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000788566001 932741054 /nfs/dbraw/zinc/74/10/54/932741054.db2.gz QYBUWZSLZDFDQB-VSKVDJIOSA-N 1 2 363.414 1.938 20 10 FDCDLO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000809763029 940895813 /nfs/dbraw/zinc/89/58/13/940895813.db2.gz HYDDZTUMEKTFAR-SFHVURJKSA-N 1 2 368.499 1.159 20 10 FDCDLO COCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000809763029 940895816 /nfs/dbraw/zinc/89/58/16/940895816.db2.gz HYDDZTUMEKTFAR-SFHVURJKSA-N 1 2 368.499 1.159 20 10 FDCDLO COc1ccc(O)c(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000810404162 940990907 /nfs/dbraw/zinc/99/09/07/940990907.db2.gz HSYBOBVIQOQBTF-INIZCTEOSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1ccc(O)c(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000810404162 940990908 /nfs/dbraw/zinc/99/09/08/940990908.db2.gz HSYBOBVIQOQBTF-INIZCTEOSA-N 1 2 374.441 1.514 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000810628665 941029699 /nfs/dbraw/zinc/02/96/99/941029699.db2.gz OIZPTDXOBWAFHX-OAHLLOKOSA-N 1 2 374.441 1.253 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000810628665 941029704 /nfs/dbraw/zinc/02/97/04/941029704.db2.gz OIZPTDXOBWAFHX-OAHLLOKOSA-N 1 2 374.441 1.253 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000817860783 943048754 /nfs/dbraw/zinc/04/87/54/943048754.db2.gz VPHTXHVYGZXJCV-INIZCTEOSA-N 1 2 372.513 1.415 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2F)CC1 ZINC000819032688 943408489 /nfs/dbraw/zinc/40/84/89/943408489.db2.gz JQBCEXLIPRZFBN-SFHVURJKSA-N 1 2 364.509 1.512 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC[C@H](O)C[N@@H+](C)C3CC3)cc2F)CC1 ZINC000819032688 943408490 /nfs/dbraw/zinc/40/84/90/943408490.db2.gz JQBCEXLIPRZFBN-SFHVURJKSA-N 1 2 364.509 1.512 20 10 FDCDLO COc1ccc(N2CC[NH+](CCn3cnc(Br)n3)CC2)cc1 ZINC000821386866 944462894 /nfs/dbraw/zinc/46/28/94/944462894.db2.gz NVSCAXIRXMKUEB-UHFFFAOYSA-N 1 2 366.263 1.871 20 10 FDCDLO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715829226 958482262 /nfs/dbraw/zinc/48/22/62/958482262.db2.gz UHSXISBRDNDRAX-MRVPVSSYSA-N 1 2 352.225 1.818 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001183672331 963215129 /nfs/dbraw/zinc/21/51/29/963215129.db2.gz LAKVNVKQOLGSBU-VXGBXAGGSA-N 1 2 356.400 1.176 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001183672331 963215135 /nfs/dbraw/zinc/21/51/35/963215135.db2.gz LAKVNVKQOLGSBU-VXGBXAGGSA-N 1 2 356.400 1.176 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3CCOC[C@H]3C)cc12 ZINC001184361099 963542212 /nfs/dbraw/zinc/54/22/12/963542212.db2.gz VOKZWMZZNBATME-CJNGLKHVSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3CCOC[C@H]3C)cc12 ZINC001184361099 963542220 /nfs/dbraw/zinc/54/22/20/963542220.db2.gz VOKZWMZZNBATME-CJNGLKHVSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3CCO[C@@H](C)C3)cc12 ZINC001184359304 963542380 /nfs/dbraw/zinc/54/23/80/963542380.db2.gz DANNWWSYOTVZPK-ZFWWWQNUSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3CCO[C@@H](C)C3)cc12 ZINC001184359304 963542385 /nfs/dbraw/zinc/54/23/85/963542385.db2.gz DANNWWSYOTVZPK-ZFWWWQNUSA-N 1 2 374.437 1.923 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062506 964883839 /nfs/dbraw/zinc/88/38/39/964883839.db2.gz AMQBVCMTWSMTNE-GFCCVEGCSA-N 1 2 350.375 1.345 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775062506 964883847 /nfs/dbraw/zinc/88/38/47/964883847.db2.gz AMQBVCMTWSMTNE-GFCCVEGCSA-N 1 2 350.375 1.345 20 10 FDCDLO COc1ccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c(OC)c1 ZINC000864417032 973545553 /nfs/dbraw/zinc/54/55/53/973545553.db2.gz QECDVQFVESWZOH-UHFFFAOYSA-N 1 2 359.430 1.432 20 10 FDCDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000848503086 976850480 /nfs/dbraw/zinc/85/04/80/976850480.db2.gz WAHQBHJUCJZSRM-IUPBHXKESA-N 1 2 374.359 1.849 20 10 FDCDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000848503086 976850495 /nfs/dbraw/zinc/85/04/95/976850495.db2.gz WAHQBHJUCJZSRM-IUPBHXKESA-N 1 2 374.359 1.849 20 10 FDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000883148210 981980080 /nfs/dbraw/zinc/98/00/80/981980080.db2.gz YSONPWWQMGUALX-SNVBAGLBSA-N 1 2 356.199 1.775 20 10 FDCDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862396692 984373784 /nfs/dbraw/zinc/37/37/84/984373784.db2.gz WMQQVIOUZUCKTM-GFCCVEGCSA-N 1 2 371.231 1.408 20 10 FDCDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000862396692 984373794 /nfs/dbraw/zinc/37/37/94/984373794.db2.gz WMQQVIOUZUCKTM-GFCCVEGCSA-N 1 2 371.231 1.408 20 10 FDCDLO NC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)nn1 ZINC000862483395 984399444 /nfs/dbraw/zinc/39/94/44/984399444.db2.gz MBOMZAUHIHKENE-UHFFFAOYSA-N 1 2 353.785 1.712 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000368569061 988998054 /nfs/dbraw/zinc/99/80/54/988998054.db2.gz JZRPTCGLVZZNAC-SFHVURJKSA-N 1 2 368.481 1.971 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000370168700 989512130 /nfs/dbraw/zinc/51/21/30/989512130.db2.gz HLFDTOXGJUYQJN-QGZVFWFLSA-N 1 2 364.417 1.947 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000370168700 989512135 /nfs/dbraw/zinc/51/21/35/989512135.db2.gz HLFDTOXGJUYQJN-QGZVFWFLSA-N 1 2 364.417 1.947 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373565553 992293886 /nfs/dbraw/zinc/29/38/86/992293886.db2.gz CHKZPGBMEKAGAR-OAHLLOKOSA-N 1 2 358.417 1.738 20 10 FDCDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877694752 993449683 /nfs/dbraw/zinc/44/96/83/993449683.db2.gz FQHJVKDTKREQPU-IBGZPJMESA-N 1 2 367.442 1.960 20 10 FDCDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000877694752 993449693 /nfs/dbraw/zinc/44/96/93/993449693.db2.gz FQHJVKDTKREQPU-IBGZPJMESA-N 1 2 367.442 1.960 20 10 FDCDLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000877790259 993515076 /nfs/dbraw/zinc/51/50/76/993515076.db2.gz FANLAAXISZOTII-CVEARBPZSA-N 1 2 368.474 1.529 20 10 FDCDLO O=S1(=O)C[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000877790259 993515085 /nfs/dbraw/zinc/51/50/85/993515085.db2.gz FANLAAXISZOTII-CVEARBPZSA-N 1 2 368.474 1.529 20 10 FDCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826510861 996808305 /nfs/dbraw/zinc/80/83/05/996808305.db2.gz OAORKUAMZHFTDH-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777459787 999095790 /nfs/dbraw/zinc/09/57/90/999095790.db2.gz RCHGFSPBCGPVSC-OAHLLOKOSA-N 1 2 373.432 1.673 20 10 FDCDLO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(N(C)C)cc1 ZINC000935463548 1005915993 /nfs/dbraw/zinc/91/59/93/1005915993.db2.gz JSVFFZGUNWCQQX-LZQZEXGQSA-N 1 2 361.486 1.810 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134319131 526148883 /nfs/dbraw/zinc/14/88/83/526148883.db2.gz FMZFKQAXIQUJMJ-AWEZNQCLSA-N 1 2 358.435 1.636 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134319131 526148894 /nfs/dbraw/zinc/14/88/94/526148894.db2.gz FMZFKQAXIQUJMJ-AWEZNQCLSA-N 1 2 358.435 1.636 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000278575407 537339804 /nfs/dbraw/zinc/33/98/04/537339804.db2.gz CPKCMCFHJLGGDZ-GFCCVEGCSA-N 1 2 358.416 1.708 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000278575407 537339811 /nfs/dbraw/zinc/33/98/11/537339811.db2.gz CPKCMCFHJLGGDZ-GFCCVEGCSA-N 1 2 358.416 1.708 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000283534944 537381740 /nfs/dbraw/zinc/38/17/40/537381740.db2.gz PMFZBZFYUXYGBB-UHFFFAOYSA-N 1 2 355.442 1.498 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000364399408 537392313 /nfs/dbraw/zinc/39/23/13/537392313.db2.gz IYLOHKFMSOCSEH-LJQANCHMSA-N 1 2 359.470 1.455 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000364399408 537392319 /nfs/dbraw/zinc/39/23/19/537392319.db2.gz IYLOHKFMSOCSEH-LJQANCHMSA-N 1 2 359.470 1.455 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000365804552 677383413 /nfs/dbraw/zinc/38/34/13/677383413.db2.gz FXHORZVRQDMZNH-LBPRGKRZSA-N 1 2 373.431 1.211 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000365804552 677383414 /nfs/dbraw/zinc/38/34/14/677383414.db2.gz FXHORZVRQDMZNH-LBPRGKRZSA-N 1 2 373.431 1.211 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000729048413 810938991 /nfs/dbraw/zinc/93/89/91/810938991.db2.gz DMGXBKPYHJDOEF-CYBMUJFWSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000729048413 810938993 /nfs/dbraw/zinc/93/89/93/810938993.db2.gz DMGXBKPYHJDOEF-CYBMUJFWSA-N 1 2 351.447 1.872 20 10 FDCDLO COC(=O)c1c(C[NH2+][C@@H](C)C2N=NC(=O)N2C)c2cc(F)ccc2n1C ZINC000895171280 821372955 /nfs/dbraw/zinc/37/29/55/821372955.db2.gz NBRNZPBAJXHUIX-VIFPVBQESA-N 1 2 361.377 1.789 20 10 FDCDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897235270 827246446 /nfs/dbraw/zinc/24/64/46/827246446.db2.gz QFSOXHFVGMPNEE-GFCCVEGCSA-N 1 2 366.439 1.078 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)/C=C(\C)C[NH+]3CCOCC3)C2)cc1 ZINC000912293117 859566733 /nfs/dbraw/zinc/56/67/33/859566733.db2.gz RUZQMUNGFHAYGF-HJUDDPQBSA-N 1 2 359.470 1.669 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NCC(C)(C)[NH+]3CCOCC3)ccc21 ZINC000057662120 863212909 /nfs/dbraw/zinc/21/29/09/863212909.db2.gz GJOLKIKOVLKOIZ-UHFFFAOYSA-N 1 2 360.502 1.979 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000158160127 864108723 /nfs/dbraw/zinc/10/87/23/864108723.db2.gz UIMGWLPZPXSZLI-UHFFFAOYSA-N 1 2 373.497 1.989 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000158160127 864108732 /nfs/dbraw/zinc/10/87/32/864108732.db2.gz UIMGWLPZPXSZLI-UHFFFAOYSA-N 1 2 373.497 1.989 20 10 FDCDLO O=C(NCc1c(O)cccc1F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000914328514 872378552 /nfs/dbraw/zinc/37/85/52/872378552.db2.gz OSRQWGLJURPLOM-KRWDZBQOSA-N 1 2 369.462 1.538 20 10 FDCDLO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1[nH]c(=O)nc1C[NH3+])N=[N+]=[N-] ZINC001168756849 884887061 /nfs/dbraw/zinc/88/70/61/884887061.db2.gz VPQAZXVNUURGPD-WDZFZDKYSA-N 1 2 358.362 1.658 20 10 FDCDLO COc1ccc(O)c(CNC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000918746368 884907178 /nfs/dbraw/zinc/90/71/78/884907178.db2.gz XCEGTVHOMAVWPC-UHFFFAOYSA-N 1 2 350.444 1.918 20 10 FDCDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000787331397 932254533 /nfs/dbraw/zinc/25/45/33/932254533.db2.gz KAQAVZYJPGZEKH-UHFFFAOYSA-N 1 2 350.375 1.691 20 10 FDCDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000787331397 932254535 /nfs/dbraw/zinc/25/45/35/932254535.db2.gz KAQAVZYJPGZEKH-UHFFFAOYSA-N 1 2 350.375 1.691 20 10 FDCDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2C1 ZINC000790156242 933392254 /nfs/dbraw/zinc/39/22/54/933392254.db2.gz BXIPKPUQFHTZEE-QHHAFSJGSA-N 1 2 367.405 1.593 20 10 FDCDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2C1 ZINC000790156242 933392260 /nfs/dbraw/zinc/39/22/60/933392260.db2.gz BXIPKPUQFHTZEE-QHHAFSJGSA-N 1 2 367.405 1.593 20 10 FDCDLO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3[nH]cc[nH+]3)cc2)C1 ZINC000806539745 939956652 /nfs/dbraw/zinc/95/66/52/939956652.db2.gz VZXYIWVYUKZNAW-HNNXBMFYSA-N 1 2 355.442 1.360 20 10 FDCDLO C[C@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(N(C)C)cc1 ZINC000807675517 940452211 /nfs/dbraw/zinc/45/22/11/940452211.db2.gz ANOHPWMJSLBRAT-HNNXBMFYSA-N 1 2 369.469 1.990 20 10 FDCDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816619560 942279444 /nfs/dbraw/zinc/27/94/44/942279444.db2.gz MEAYJPHPULRQHB-INIZCTEOSA-N 1 2 370.490 1.919 20 10 FDCDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816619560 942279445 /nfs/dbraw/zinc/27/94/45/942279445.db2.gz MEAYJPHPULRQHB-INIZCTEOSA-N 1 2 370.490 1.919 20 10 FDCDLO COC(=O)CCCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001173436041 962102597 /nfs/dbraw/zinc/10/25/97/962102597.db2.gz QHAOCYLUQQMHMM-JSGCOSHPSA-N 1 2 353.415 1.893 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)cc1 ZINC000852192565 967081586 /nfs/dbraw/zinc/08/15/86/967081586.db2.gz VPAMQAVOIATLGW-CVEARBPZSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CCOC[C@H]3C)C2)cc1 ZINC000852192565 967081591 /nfs/dbraw/zinc/08/15/91/967081591.db2.gz VPAMQAVOIATLGW-CVEARBPZSA-N 1 2 362.474 1.294 20 10 FDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000864918424 973946416 /nfs/dbraw/zinc/94/64/16/973946416.db2.gz GFZSVAFAGHCNIJ-OWOJBTEDSA-N 1 2 361.511 1.744 20 10 FDCDLO O=C1OC[C@]2(C[NH2+]Cc3cccc(Br)c3O)COCCN12 ZINC000865769449 974474223 /nfs/dbraw/zinc/47/42/23/974474223.db2.gz WWCHAHYGJSMUCU-AWEZNQCLSA-N 1 2 357.204 1.466 20 10 FDCDLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000776243943 975233521 /nfs/dbraw/zinc/23/35/21/975233521.db2.gz DCBZFPCIMBWLHI-YJBOKZPZSA-N 1 2 364.490 1.148 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000851961610 979226386 /nfs/dbraw/zinc/22/63/86/979226386.db2.gz YODRQNWXSZRUOU-CVEARBPZSA-N 1 2 362.474 1.294 20 10 FDCDLO COCC[N@H+](C)Cc1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881084683 979646735 /nfs/dbraw/zinc/64/67/35/979646735.db2.gz YZMVSDMXNPYIME-UHFFFAOYSA-N 1 2 374.489 1.081 20 10 FDCDLO COCC[N@@H+](C)Cc1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881084683 979646743 /nfs/dbraw/zinc/64/67/43/979646743.db2.gz YZMVSDMXNPYIME-UHFFFAOYSA-N 1 2 374.489 1.081 20 10 FDCDLO CCN(C)c1ccc(Cn2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)nn2)cc1 ZINC000881313346 979826791 /nfs/dbraw/zinc/82/67/91/979826791.db2.gz JLHCJTXDTNWZDD-OAHLLOKOSA-N 1 2 363.487 1.059 20 10 FDCDLO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871218326 986795460 /nfs/dbraw/zinc/79/54/60/986795460.db2.gz NFCQXSOUGVODKL-RQOWECAXSA-N 1 2 354.410 1.288 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000361535253 988408495 /nfs/dbraw/zinc/40/84/95/988408495.db2.gz HFTOFUWINPYSEY-UHFFFAOYSA-N 1 2 371.485 1.554 20 10 FDCDLO COc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1Cn1cccn1 ZINC000873107315 988568400 /nfs/dbraw/zinc/56/84/00/988568400.db2.gz NBKKCMSSKXJKKU-UHFFFAOYSA-N 1 2 353.430 1.626 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000297920805 989776038 /nfs/dbraw/zinc/77/60/38/989776038.db2.gz TYVPEJHYHUCEDP-INIZCTEOSA-N 1 2 369.469 1.840 20 10 FDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000925586866 995671071 /nfs/dbraw/zinc/67/10/71/995671071.db2.gz UTZZQWNTPSCLGC-ZIAGYGMSSA-N 1 2 351.447 1.872 20 10 FDCDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000270415475 999555731 /nfs/dbraw/zinc/55/57/31/999555731.db2.gz BXVOFVDKGFCBBG-INIZCTEOSA-N 1 2 367.409 1.726 20 10 FDCDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000270415475 999555734 /nfs/dbraw/zinc/55/57/34/999555734.db2.gz BXVOFVDKGFCBBG-INIZCTEOSA-N 1 2 367.409 1.726 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCn2c[nH+]cc2C1 ZINC000291342656 1000183309 /nfs/dbraw/zinc/18/33/09/1000183309.db2.gz SEVRQBRBVLSQHG-UHFFFAOYSA-N 1 2 359.405 1.584 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@]1(C)C1CC1)cc2=O ZINC000934478660 1005750235 /nfs/dbraw/zinc/75/02/35/1005750235.db2.gz YFZBHIVKSGGBLF-GOSISDBHSA-N 1 2 360.414 1.613 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@]1(C)C1CC1)cc2=O ZINC000934478660 1005750239 /nfs/dbraw/zinc/75/02/39/1005750239.db2.gz YFZBHIVKSGGBLF-GOSISDBHSA-N 1 2 360.414 1.613 20 10 FDCDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000269615904 674110664 /nfs/dbraw/zinc/11/06/64/674110664.db2.gz MBHSLYAZRJYTMK-INIZCTEOSA-N 1 2 365.499 1.349 20 10 FDCDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000269615904 674110666 /nfs/dbraw/zinc/11/06/66/674110666.db2.gz MBHSLYAZRJYTMK-INIZCTEOSA-N 1 2 365.499 1.349 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C3SCCS3)CC2)cc1 ZINC000270490313 674217649 /nfs/dbraw/zinc/21/76/49/674217649.db2.gz KNMNLAGGAJEZIM-UHFFFAOYSA-N 1 2 367.540 1.740 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000031730217 519457717 /nfs/dbraw/zinc/45/77/17/519457717.db2.gz MKQNGKCXMPUUQN-UHFFFAOYSA-N 1 2 369.469 1.984 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cn1C ZINC000093819412 525000134 /nfs/dbraw/zinc/00/01/34/525000134.db2.gz GVUGVAQCPHYBCV-UHFFFAOYSA-N 1 2 364.471 1.249 20 10 FDCDLO CN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000193453639 537248498 /nfs/dbraw/zinc/24/84/98/537248498.db2.gz QUTXBQRBTQTRSP-QZTJIDSGSA-N 1 2 352.500 1.921 20 10 FDCDLO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000193453639 537248500 /nfs/dbraw/zinc/24/85/00/537248500.db2.gz QUTXBQRBTQTRSP-QZTJIDSGSA-N 1 2 352.500 1.921 20 10 FDCDLO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3O)C2=O)n1 ZINC000371945807 537834365 /nfs/dbraw/zinc/83/43/65/537834365.db2.gz BFIIGIHPUZUWPN-MRXNPFEDSA-N 1 2 371.397 1.680 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1F ZINC000826209770 608836618 /nfs/dbraw/zinc/83/66/18/608836618.db2.gz PNRXBJIIHGYFNW-UHFFFAOYSA-N 1 2 358.377 1.930 20 10 FDCDLO CCN(CC)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000274177325 674586107 /nfs/dbraw/zinc/58/61/07/674586107.db2.gz ILQYNYODWDJSLA-UHFFFAOYSA-N 1 2 369.531 1.675 20 10 FDCDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1O ZINC000119506896 671675483 /nfs/dbraw/zinc/67/54/83/671675483.db2.gz RHMPPEQZLPNPOQ-OAHLLOKOSA-N 1 2 354.472 1.134 20 10 FDCDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1O ZINC000119506896 671675485 /nfs/dbraw/zinc/67/54/85/671675485.db2.gz RHMPPEQZLPNPOQ-OAHLLOKOSA-N 1 2 354.472 1.134 20 10 FDCDLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000157042319 671963873 /nfs/dbraw/zinc/96/38/73/671963873.db2.gz PAROZAWRPUAKGP-MRXNPFEDSA-N 1 2 368.474 1.814 20 10 FDCDLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000157042319 671963876 /nfs/dbraw/zinc/96/38/76/671963876.db2.gz PAROZAWRPUAKGP-MRXNPFEDSA-N 1 2 368.474 1.814 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263923761 672891099 /nfs/dbraw/zinc/89/10/99/672891099.db2.gz HFGOKTODXOQMEM-NSHDSACASA-N 1 2 364.427 1.507 20 10 FDCDLO COCCOC[C@@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000294888829 676398220 /nfs/dbraw/zinc/39/82/20/676398220.db2.gz GVISQUWUIBCINI-AWEZNQCLSA-N 1 2 361.822 1.045 20 10 FDCDLO COCCOC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000294888829 676398221 /nfs/dbraw/zinc/39/82/21/676398221.db2.gz GVISQUWUIBCINI-AWEZNQCLSA-N 1 2 361.822 1.045 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000369698777 677511253 /nfs/dbraw/zinc/51/12/53/677511253.db2.gz XLHOYYCBJHPDHH-GFCCVEGCSA-N 1 2 370.247 1.715 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000369698777 677511254 /nfs/dbraw/zinc/51/12/54/677511254.db2.gz XLHOYYCBJHPDHH-GFCCVEGCSA-N 1 2 370.247 1.715 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000277498409 782208454 /nfs/dbraw/zinc/20/84/54/782208454.db2.gz RAEVNBVPDPBSME-UHFFFAOYSA-N 1 2 369.469 1.786 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000277498409 782208461 /nfs/dbraw/zinc/20/84/61/782208461.db2.gz RAEVNBVPDPBSME-UHFFFAOYSA-N 1 2 369.469 1.786 20 10 FDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000023855267 777097061 /nfs/dbraw/zinc/09/70/61/777097061.db2.gz XVZUWMNGCJQCDW-KDURUIRLSA-N 1 2 369.465 1.864 20 10 FDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000023855267 777097066 /nfs/dbraw/zinc/09/70/66/777097066.db2.gz XVZUWMNGCJQCDW-KDURUIRLSA-N 1 2 369.465 1.864 20 10 FDCDLO CNC(=O)Cc1noc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000363956872 794779009 /nfs/dbraw/zinc/77/90/09/794779009.db2.gz BLDBISMHKWMYEC-UHFFFAOYSA-N 1 2 359.430 1.079 20 10 FDCDLO CNC(=O)Cc1noc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000363956872 794779016 /nfs/dbraw/zinc/77/90/16/794779016.db2.gz BLDBISMHKWMYEC-UHFFFAOYSA-N 1 2 359.430 1.079 20 10 FDCDLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000899065329 845701442 /nfs/dbraw/zinc/70/14/42/845701442.db2.gz OCWDVROBJZWAGW-UHFFFAOYSA-N 1 2 364.423 1.491 20 10 FDCDLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000899065329 845701450 /nfs/dbraw/zinc/70/14/50/845701450.db2.gz OCWDVROBJZWAGW-UHFFFAOYSA-N 1 2 364.423 1.491 20 10 FDCDLO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000842234972 845835959 /nfs/dbraw/zinc/83/59/59/845835959.db2.gz DAQLIHKBLHWSOJ-YOEHRIQHSA-N 1 2 355.442 1.234 20 10 FDCDLO CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2(N(C)C)CC2)[NH+](C)C)cc1 ZINC000908460729 855446789 /nfs/dbraw/zinc/44/67/89/855446789.db2.gz YLOPYZIHAPAMCG-QGZVFWFLSA-N 1 2 368.547 1.369 20 10 FDCDLO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1Cc1cnnn1C ZINC001089070234 866490128 /nfs/dbraw/zinc/49/01/28/866490128.db2.gz UKIXESPJRLWNIC-ABAIWWIYSA-N 1 2 370.417 1.370 20 10 FDCDLO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1Cc1cnnn1C ZINC001089070234 866490135 /nfs/dbraw/zinc/49/01/35/866490135.db2.gz UKIXESPJRLWNIC-ABAIWWIYSA-N 1 2 370.417 1.370 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000742927579 926216656 /nfs/dbraw/zinc/21/66/56/926216656.db2.gz VCHNJJLRIWKTKF-UHFFFAOYSA-N 1 2 373.413 1.484 20 10 FDCDLO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(F)cc(F)c1O ZINC000806170838 938898804 /nfs/dbraw/zinc/89/88/04/938898804.db2.gz HVLLEOOCFLZTKF-ZYHUDNBSSA-N 1 2 363.430 1.592 20 10 FDCDLO O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000823181171 945524215 /nfs/dbraw/zinc/52/42/15/945524215.db2.gz KURRRSDZBPZBEB-SJORKVTESA-N 1 2 371.437 1.436 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844131186 947787080 /nfs/dbraw/zinc/78/70/80/947787080.db2.gz KOUGPGLDYMLMBM-SFHVURJKSA-N 1 2 368.481 1.971 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844131000 947787260 /nfs/dbraw/zinc/78/72/60/947787260.db2.gz KOUGPGLDYMLMBM-GOSISDBHSA-N 1 2 368.481 1.971 20 10 FDCDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H](C)CO1 ZINC000844390458 948022517 /nfs/dbraw/zinc/02/25/17/948022517.db2.gz XNTKLOQNEQTIPS-SJLPKXTDSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H](C)CO1 ZINC000844390458 948022525 /nfs/dbraw/zinc/02/25/25/948022525.db2.gz XNTKLOQNEQTIPS-SJLPKXTDSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)CO1 ZINC000844390459 948022720 /nfs/dbraw/zinc/02/27/20/948022720.db2.gz XNTKLOQNEQTIPS-WMZOPIPTSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)CO1 ZINC000844390459 948022729 /nfs/dbraw/zinc/02/27/29/948022729.db2.gz XNTKLOQNEQTIPS-WMZOPIPTSA-N 1 2 361.486 1.843 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000844882292 948464870 /nfs/dbraw/zinc/46/48/70/948464870.db2.gz VYCFPPJSUVRZAV-INIZCTEOSA-N 1 2 364.490 1.494 20 10 FDCDLO COCCOCCN1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000846115757 950513186 /nfs/dbraw/zinc/51/31/86/950513186.db2.gz ADGOCVZICDWFNR-UHFFFAOYSA-N 1 2 358.866 1.835 20 10 FDCDLO Cc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c(N(C)C)[nH+]1 ZINC000774361594 962053991 /nfs/dbraw/zinc/05/39/91/962053991.db2.gz HNXPNPKTXYUFHY-UHFFFAOYSA-N 1 2 358.398 1.165 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3C[C@H](O)C3(C)C)cc12 ZINC001184359821 963542028 /nfs/dbraw/zinc/54/20/28/963542028.db2.gz LURKEFKTLTZXMN-SJORKVTESA-N 1 2 374.437 1.514 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3C[C@H](O)C3(C)C)cc12 ZINC001184359821 963542033 /nfs/dbraw/zinc/54/20/33/963542033.db2.gz LURKEFKTLTZXMN-SJORKVTESA-N 1 2 374.437 1.514 20 10 FDCDLO O=C1NC(=O)C2(CCC([NH2+]Cc3cccc(Br)c3O)CC2)N1 ZINC000775153072 965911265 /nfs/dbraw/zinc/91/12/65/965911265.db2.gz QZWQLAUXGYPJJB-UHFFFAOYSA-N 1 2 368.231 1.765 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(CO)c(C)o3)CC2)cc1 ZINC000865033070 974028701 /nfs/dbraw/zinc/02/87/01/974028701.db2.gz AMCGKWLSKCHDCL-UHFFFAOYSA-N 1 2 373.453 1.641 20 10 FDCDLO CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc(Cl)c1O ZINC000866555116 975784615 /nfs/dbraw/zinc/78/46/15/975784615.db2.gz WAFPCAXDQIHVKZ-PBHICJAKSA-N 1 2 354.834 1.714 20 10 FDCDLO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[NH+]1CC(C)(C)C1 ZINC000847662310 975954251 /nfs/dbraw/zinc/95/42/51/975954251.db2.gz ZASARQTUJDDZQJ-UHFFFAOYSA-N 1 2 354.834 1.889 20 10 FDCDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000848503085 976850814 /nfs/dbraw/zinc/85/08/14/976850814.db2.gz WAHQBHJUCJZSRM-GAJTVXKRSA-N 1 2 374.359 1.849 20 10 FDCDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000848503085 976850823 /nfs/dbraw/zinc/85/08/23/976850823.db2.gz WAHQBHJUCJZSRM-GAJTVXKRSA-N 1 2 374.359 1.849 20 10 FDCDLO COc1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000881736454 980091176 /nfs/dbraw/zinc/09/11/76/980091176.db2.gz BCRGFODECPZGLE-UHFFFAOYSA-N 1 2 350.444 1.044 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000870166252 985762180 /nfs/dbraw/zinc/76/21/80/985762180.db2.gz XKTSNROIWILUMD-AWEZNQCLSA-N 1 2 358.442 1.954 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)c(OC)c1 ZINC000870166252 985762194 /nfs/dbraw/zinc/76/21/94/985762194.db2.gz XKTSNROIWILUMD-AWEZNQCLSA-N 1 2 358.442 1.954 20 10 FDCDLO C[NH+]1CCN(c2ccnc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000870667158 986213133 /nfs/dbraw/zinc/21/31/33/986213133.db2.gz UBEVSDULSCHYBC-HWKANZROSA-N 1 2 354.410 1.897 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000872317674 987597532 /nfs/dbraw/zinc/59/75/32/987597532.db2.gz BFFFUOVEZUYJFS-UHFFFAOYSA-N 1 2 353.470 1.716 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000872317674 987597537 /nfs/dbraw/zinc/59/75/37/987597537.db2.gz BFFFUOVEZUYJFS-UHFFFAOYSA-N 1 2 353.470 1.716 20 10 FDCDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cccc(O)c3O)CC2)no1 ZINC000369879242 989266563 /nfs/dbraw/zinc/26/65/63/989266563.db2.gz YBLRYUYLSSRKFR-ZDUSSCGKSA-N 1 2 360.414 1.916 20 10 FDCDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cccc(O)c3O)CC2)no1 ZINC000369879242 989266575 /nfs/dbraw/zinc/26/65/75/989266575.db2.gz YBLRYUYLSSRKFR-ZDUSSCGKSA-N 1 2 360.414 1.916 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297853638 989725808 /nfs/dbraw/zinc/72/58/08/989725808.db2.gz NXCOJMWSVSVWKE-UHFFFAOYSA-N 1 2 371.485 1.846 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(c3nccnc3C)CC2)ccc1[N+](=O)[O-] ZINC000374215743 992699404 /nfs/dbraw/zinc/69/94/04/992699404.db2.gz GKFMDYRAXXLSPS-UHFFFAOYSA-N 1 2 359.386 1.730 20 10 FDCDLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876551219 992700691 /nfs/dbraw/zinc/70/06/91/992700691.db2.gz NCJOSMZQMVBNGV-HXUWFJFHSA-N 1 2 371.485 1.926 20 10 FDCDLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876551219 992700699 /nfs/dbraw/zinc/70/06/99/992700699.db2.gz NCJOSMZQMVBNGV-HXUWFJFHSA-N 1 2 371.485 1.926 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284019200 999771118 /nfs/dbraw/zinc/77/11/18/999771118.db2.gz RDPMEIPBBYIUCH-OAHLLOKOSA-N 1 2 358.442 1.922 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncc(C)cc3O)CC2)cc1 ZINC000778611453 1006550958 /nfs/dbraw/zinc/55/09/58/1006550958.db2.gz KFOVXVCWPYKVCF-UHFFFAOYSA-N 1 2 370.453 1.656 20 10 FDCDLO COc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1F ZINC000084732622 1012019078 /nfs/dbraw/zinc/01/90/78/1012019078.db2.gz ZYASVXXNYHMPEB-UHFFFAOYSA-N 1 2 361.421 1.953 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1F ZINC000119388220 525729171 /nfs/dbraw/zinc/72/91/71/525729171.db2.gz LLDIHBFOBHSLOG-AWEZNQCLSA-N 1 2 358.417 1.942 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1O)NC[C@H]1CCCCO1 ZINC000182252669 526111882 /nfs/dbraw/zinc/11/18/82/526111882.db2.gz HZPYDQFPQLNCJE-CYBMUJFWSA-N 1 2 362.879 1.624 20 10 FDCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000283889375 537390224 /nfs/dbraw/zinc/39/02/24/537390224.db2.gz CRDLWNFCYXAUJY-UHFFFAOYSA-N 1 2 370.453 1.908 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000292352916 537729545 /nfs/dbraw/zinc/72/95/45/537729545.db2.gz VNSBIKDDFZTMBC-MRXNPFEDSA-N 1 2 367.515 1.078 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000292352916 537729546 /nfs/dbraw/zinc/72/95/46/537729546.db2.gz VNSBIKDDFZTMBC-MRXNPFEDSA-N 1 2 367.515 1.078 20 10 FDCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000376990778 537950973 /nfs/dbraw/zinc/95/09/73/537950973.db2.gz BNMCMSPMXXHPPQ-CRAIPNDOSA-N 1 2 358.486 1.684 20 10 FDCDLO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826511545 608509268 /nfs/dbraw/zinc/50/92/68/608509268.db2.gz USDKTUHONSOMTA-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO COc1cc(Br)cc(C[N@H+](C)CCS(C)(=O)=O)c1O ZINC000155149244 671936078 /nfs/dbraw/zinc/93/60/78/671936078.db2.gz RWYRANOVKVRBGC-UHFFFAOYSA-N 1 2 352.250 1.640 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+](C)CCS(C)(=O)=O)c1O ZINC000155149244 671936081 /nfs/dbraw/zinc/93/60/81/671936081.db2.gz RWYRANOVKVRBGC-UHFFFAOYSA-N 1 2 352.250 1.640 20 10 FDCDLO COC(=O)CC[N@@H+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000182124688 672207640 /nfs/dbraw/zinc/20/76/40/672207640.db2.gz PZSDBBNMJKASBL-LBPRGKRZSA-N 1 2 352.406 1.803 20 10 FDCDLO COC(=O)CC[N@H+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000182124688 672207642 /nfs/dbraw/zinc/20/76/42/672207642.db2.gz PZSDBBNMJKASBL-LBPRGKRZSA-N 1 2 352.406 1.803 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263923759 672891125 /nfs/dbraw/zinc/89/11/25/672891125.db2.gz HFGOKTODXOQMEM-LLVKDONJSA-N 1 2 364.427 1.507 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000367972282 677497284 /nfs/dbraw/zinc/49/72/84/677497284.db2.gz KHQPQMHZUNICJO-UHFFFAOYSA-N 1 2 365.858 1.499 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000367972282 677497286 /nfs/dbraw/zinc/49/72/86/677497286.db2.gz KHQPQMHZUNICJO-UHFFFAOYSA-N 1 2 365.858 1.499 20 10 FDCDLO CN(C)c1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1F ZINC000370157521 677548642 /nfs/dbraw/zinc/54/86/42/677548642.db2.gz ALZKBMBUVHXSDK-UHFFFAOYSA-N 1 2 355.479 1.892 20 10 FDCDLO CN(C)c1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1F ZINC000370157521 677548643 /nfs/dbraw/zinc/54/86/43/677548643.db2.gz ALZKBMBUVHXSDK-UHFFFAOYSA-N 1 2 355.479 1.892 20 10 FDCDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000373920698 678068625 /nfs/dbraw/zinc/06/86/25/678068625.db2.gz GWHCCSJOKNOWLS-UHFFFAOYSA-N 1 2 353.375 1.973 20 10 FDCDLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000156883319 775531623 /nfs/dbraw/zinc/53/16/23/775531623.db2.gz HVXJAOUDIFIVHO-UHFFFAOYSA-N 1 2 366.465 1.876 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cncc(OC)n3)CC2)cc1 ZINC000276806594 779666987 /nfs/dbraw/zinc/66/69/87/779666987.db2.gz LCQGRMIAGINLAN-UHFFFAOYSA-N 1 2 371.441 1.046 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000377214333 791271757 /nfs/dbraw/zinc/27/17/57/791271757.db2.gz LYTHSWRQYLVOPR-UZLBHIALSA-N 1 2 361.486 1.639 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000377214333 791271765 /nfs/dbraw/zinc/27/17/65/791271765.db2.gz LYTHSWRQYLVOPR-UZLBHIALSA-N 1 2 361.486 1.639 20 10 FDCDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(N(C)C)[nH+]1 ZINC000785298919 804862545 /nfs/dbraw/zinc/86/25/45/804862545.db2.gz XRQAQCXRCHOEMQ-GFCCVEGCSA-N 1 2 372.425 1.553 20 10 FDCDLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)C1CC1 ZINC000894785539 818448605 /nfs/dbraw/zinc/44/86/05/818448605.db2.gz VWJHHVWZIMBFKK-LLVKDONJSA-N 1 2 360.426 1.964 20 10 FDCDLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)C1CC1 ZINC000894785539 818448609 /nfs/dbraw/zinc/44/86/09/818448609.db2.gz VWJHHVWZIMBFKK-LLVKDONJSA-N 1 2 360.426 1.964 20 10 FDCDLO Cc1nnc(CN2CC[NH+](Cc3ccc(Br)cc3O)CC2)[nH]1 ZINC000895260527 822326673 /nfs/dbraw/zinc/32/66/73/822326673.db2.gz CTCHQXQCGDZBTG-UHFFFAOYSA-N 1 2 366.263 1.899 20 10 FDCDLO Cc1nnc(CN2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)[nH]1 ZINC000895264750 822334170 /nfs/dbraw/zinc/33/41/70/822334170.db2.gz FNZMCAXOIDEBQX-UHFFFAOYSA-N 1 2 369.517 1.183 20 10 FDCDLO [O-]c1c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc(F)c1F ZINC000895684516 822702447 /nfs/dbraw/zinc/70/24/47/822702447.db2.gz DKWOOPVPCNNYNK-HNNXBMFYSA-N 1 2 355.429 1.557 20 10 FDCDLO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000922535843 878478166 /nfs/dbraw/zinc/47/81/66/878478166.db2.gz XBVNHCUMKLVNBD-AWEZNQCLSA-N 1 2 363.227 1.077 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@H]1CC(C)C)cc2=O ZINC000733796638 922063378 /nfs/dbraw/zinc/06/33/78/922063378.db2.gz IZFXCJJCEAODGG-CQSZACIVSA-N 1 2 362.430 1.859 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@H]1CC(C)C)cc2=O ZINC000733796638 922063389 /nfs/dbraw/zinc/06/33/89/922063389.db2.gz IZFXCJJCEAODGG-CQSZACIVSA-N 1 2 362.430 1.859 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2)CC1 ZINC000786655533 931987023 /nfs/dbraw/zinc/98/70/23/931987023.db2.gz FLRDLSJOXLCAII-UHFFFAOYSA-N 1 2 369.469 1.648 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000789752605 933181387 /nfs/dbraw/zinc/18/13/87/933181387.db2.gz JOMDSMRHOWYZLV-AWEZNQCLSA-N 1 2 355.442 1.087 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000809460751 940842789 /nfs/dbraw/zinc/84/27/89/940842789.db2.gz QIOCLANPEGQLJX-MRXNPFEDSA-N 1 2 369.469 1.429 20 10 FDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000811500221 941139262 /nfs/dbraw/zinc/13/92/62/941139262.db2.gz VMZGJMARVJSKNR-UHFFFAOYSA-N 1 2 351.831 1.203 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)(F)C(F)F)CC2)cc1 ZINC000749364765 941191098 /nfs/dbraw/zinc/19/10/98/941191098.db2.gz LQWHOFKKAAUOBY-UHFFFAOYSA-N 1 2 363.355 1.834 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000856212564 970986413 /nfs/dbraw/zinc/98/64/13/970986413.db2.gz PIAQQQODDFFHMJ-MRXNPFEDSA-N 1 2 354.454 1.723 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000844943727 948561469 /nfs/dbraw/zinc/56/14/69/948561469.db2.gz REEVTVDVNLZSTM-INIZCTEOSA-N 1 2 364.490 1.494 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000844943727 948561475 /nfs/dbraw/zinc/56/14/75/948561475.db2.gz REEVTVDVNLZSTM-INIZCTEOSA-N 1 2 364.490 1.494 20 10 FDCDLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773083255 955271432 /nfs/dbraw/zinc/27/14/32/955271432.db2.gz CUZPNJKCORVQKA-HNNXBMFYSA-N 1 2 355.504 1.455 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@H]3CCOC3)cc12 ZINC001184362718 963543221 /nfs/dbraw/zinc/54/32/21/963543221.db2.gz TXFMRPBXQCFODF-CYBMUJFWSA-N 1 2 360.410 1.392 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@H]3CCOC3)cc12 ZINC001184362718 963543225 /nfs/dbraw/zinc/54/32/25/963543225.db2.gz TXFMRPBXQCFODF-CYBMUJFWSA-N 1 2 360.410 1.392 20 10 FDCDLO Cc1nonc1CNC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184361906 963543907 /nfs/dbraw/zinc/54/39/07/963543907.db2.gz LQZZZASXIDAJDK-UHFFFAOYSA-N 1 2 372.381 1.247 20 10 FDCDLO Cc1nonc1CNC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184361906 963543913 /nfs/dbraw/zinc/54/39/13/963543913.db2.gz LQZZZASXIDAJDK-UHFFFAOYSA-N 1 2 372.381 1.247 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3cn[nH]c3)cc12 ZINC001184362982 963544193 /nfs/dbraw/zinc/54/41/93/963544193.db2.gz ZONNCYOIFWDKLL-UHFFFAOYSA-N 1 2 356.382 1.278 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3cn[nH]c3)cc12 ZINC001184362982 963544199 /nfs/dbraw/zinc/54/41/99/963544199.db2.gz ZONNCYOIFWDKLL-UHFFFAOYSA-N 1 2 356.382 1.278 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000854296477 968742823 /nfs/dbraw/zinc/74/28/23/968742823.db2.gz DRJIOQBTOWBZAW-LZQZEXGQSA-N 1 2 374.485 1.436 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000854296477 968742831 /nfs/dbraw/zinc/74/28/31/968742831.db2.gz DRJIOQBTOWBZAW-LZQZEXGQSA-N 1 2 374.485 1.436 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)onc3CO)CC2)cc1 ZINC000847400787 975576756 /nfs/dbraw/zinc/57/67/56/975576756.db2.gz WSPFBLRMTIGBJD-UHFFFAOYSA-N 1 2 374.441 1.036 20 10 FDCDLO CCN1CC[C@@H]([NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1=O ZINC000851936727 979200575 /nfs/dbraw/zinc/20/05/75/979200575.db2.gz VEBNLMUWXDDPMA-OAHLLOKOSA-N 1 2 363.458 1.455 20 10 FDCDLO CCN1CC[C@H]([NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1=O ZINC000851936726 979201089 /nfs/dbraw/zinc/20/10/89/979201089.db2.gz VEBNLMUWXDDPMA-HNNXBMFYSA-N 1 2 363.458 1.455 20 10 FDCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1cccc(Br)c1O ZINC000882131929 980439993 /nfs/dbraw/zinc/43/99/93/980439993.db2.gz ORXGBGQWOXWLBQ-UHFFFAOYSA-N 1 2 360.233 1.471 20 10 FDCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000883148209 981980116 /nfs/dbraw/zinc/98/01/16/981980116.db2.gz YSONPWWQMGUALX-JTQLQIEISA-N 1 2 356.199 1.775 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000858389556 982022454 /nfs/dbraw/zinc/02/24/54/982022454.db2.gz XELFUKABPINPRG-UHFFFAOYSA-N 1 2 355.438 1.657 20 10 FDCDLO CCCN(CCC)c1ccc(C[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883295331 982052891 /nfs/dbraw/zinc/05/28/91/982052891.db2.gz FASQQNMMXIMEQT-UHFFFAOYSA-N 1 2 356.474 1.938 20 10 FDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883372341 982101867 /nfs/dbraw/zinc/10/18/67/982101867.db2.gz XFHRCDSKXHJAND-MRXNPFEDSA-N 1 2 364.446 1.187 20 10 FDCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1F ZINC000862220037 984260707 /nfs/dbraw/zinc/26/07/07/984260707.db2.gz QYRRADKDKJLCBL-ZDUSSCGKSA-N 1 2 361.458 1.935 20 10 FDCDLO CN(C)c1cc(F)c(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1F ZINC000862220037 984260715 /nfs/dbraw/zinc/26/07/15/984260715.db2.gz QYRRADKDKJLCBL-ZDUSSCGKSA-N 1 2 361.458 1.935 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000367909642 988973537 /nfs/dbraw/zinc/97/35/37/988973537.db2.gz XRGCQMNBMXTGGK-JUGMSXHOSA-N 1 2 362.426 1.109 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000298060245 989866194 /nfs/dbraw/zinc/86/61/94/989866194.db2.gz RJVLGQZDIQLABO-UHFFFAOYSA-N 1 2 356.426 1.760 20 10 FDCDLO C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218164 994281529 /nfs/dbraw/zinc/28/15/29/994281529.db2.gz GKWWTWNDEAEOOD-GDBMZVCRSA-N 1 2 363.458 1.148 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC3(CCCC3)C1)cc2=O ZINC000268886009 999459177 /nfs/dbraw/zinc/45/91/77/999459177.db2.gz FEXOQJSCEFQKMM-UHFFFAOYSA-N 1 2 360.414 1.757 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC3(CCCC3)C1)cc2=O ZINC000268886009 999459181 /nfs/dbraw/zinc/45/91/81/999459181.db2.gz FEXOQJSCEFQKMM-UHFFFAOYSA-N 1 2 360.414 1.757 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283996021 999765770 /nfs/dbraw/zinc/76/57/70/999765770.db2.gz PYAANDCWQVCKDK-OAHLLOKOSA-N 1 2 357.458 1.503 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3nc[nH]n3)cc2F)CC1 ZINC000078734744 1009622025 /nfs/dbraw/zinc/62/20/25/1009622025.db2.gz FTFMEFBHSUCLQB-UHFFFAOYSA-N 1 2 360.437 1.335 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000031730600 519458361 /nfs/dbraw/zinc/45/83/61/519458361.db2.gz MTCGUDPIPWWCCO-UHFFFAOYSA-N 1 2 369.469 1.984 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1F ZINC000057647869 522118720 /nfs/dbraw/zinc/11/87/20/522118720.db2.gz HHHDRTLDVLSJGF-UHFFFAOYSA-N 1 2 352.454 1.802 20 10 FDCDLO Cc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000061621436 522477197 /nfs/dbraw/zinc/47/71/97/522477197.db2.gz BCXPOSSLMLREPL-UHFFFAOYSA-N 1 2 372.444 1.866 20 10 FDCDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000061621436 522477204 /nfs/dbraw/zinc/47/72/04/522477204.db2.gz BCXPOSSLMLREPL-UHFFFAOYSA-N 1 2 372.444 1.866 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000051117538 522977176 /nfs/dbraw/zinc/97/71/76/522977176.db2.gz WFHTWCOITIGMPG-GASCZTMLSA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000051117538 522977183 /nfs/dbraw/zinc/97/71/83/522977183.db2.gz WFHTWCOITIGMPG-GASCZTMLSA-N 1 2 365.449 1.388 20 10 FDCDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 ZINC000093736055 524996789 /nfs/dbraw/zinc/99/67/89/524996789.db2.gz XLLOLDQBYNSTDR-UHFFFAOYSA-N 1 2 351.428 1.336 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1 ZINC000178525312 525443920 /nfs/dbraw/zinc/44/39/20/525443920.db2.gz LKIJGDFDCUYMTN-NRFANRHFSA-N 1 2 368.481 1.701 20 10 FDCDLO COCC(=O)N1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000179673352 525615245 /nfs/dbraw/zinc/61/52/45/525615245.db2.gz XAAPSNOFEYVHFK-UHFFFAOYSA-N 1 2 357.248 1.754 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120497020 526087041 /nfs/dbraw/zinc/08/70/41/526087041.db2.gz KEAGIJUSWXPTRW-AWEZNQCLSA-N 1 2 372.874 1.904 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120497020 526087051 /nfs/dbraw/zinc/08/70/51/526087051.db2.gz KEAGIJUSWXPTRW-AWEZNQCLSA-N 1 2 372.874 1.904 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000285656149 537742291 /nfs/dbraw/zinc/74/22/91/537742291.db2.gz HILUMRVCTBUCMR-INIZCTEOSA-N 1 2 373.432 1.985 20 10 FDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000372178930 537892337 /nfs/dbraw/zinc/89/23/37/537892337.db2.gz NARBQWQDFWUFPE-HNNXBMFYSA-N 1 2 361.486 1.705 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000561056341 545667437 /nfs/dbraw/zinc/66/74/37/545667437.db2.gz GGJYCBQIQXXBJD-UHFFFAOYSA-N 1 2 353.426 1.506 20 10 FDCDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000125119459 671745065 /nfs/dbraw/zinc/74/50/65/671745065.db2.gz SWLVFFOQFDGUKZ-UHFFFAOYSA-N 1 2 371.478 1.130 20 10 FDCDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000125119459 671745068 /nfs/dbraw/zinc/74/50/68/671745068.db2.gz SWLVFFOQFDGUKZ-UHFFFAOYSA-N 1 2 371.478 1.130 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC2)cc1 ZINC000105511086 807118297 /nfs/dbraw/zinc/11/82/97/807118297.db2.gz YMQSDOFZZJZHCS-OAHLLOKOSA-N 1 2 362.474 1.688 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)CC2)cc1 ZINC000105511088 807118384 /nfs/dbraw/zinc/11/83/84/807118384.db2.gz YMQSDOFZZJZHCS-HNNXBMFYSA-N 1 2 362.474 1.688 20 10 FDCDLO O=S(=O)(c1cc[nH]n1)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000894979360 819430834 /nfs/dbraw/zinc/43/08/34/819430834.db2.gz YNBRNFHXFRNBHH-UHFFFAOYSA-N 1 2 372.450 1.775 20 10 FDCDLO CN(C)c1ccc(C[NH+]2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1F ZINC000897574932 839632050 /nfs/dbraw/zinc/63/20/50/839632050.db2.gz NHCGBINWRUBDSF-UHFFFAOYSA-N 1 2 371.464 1.859 20 10 FDCDLO COc1cc(N2CC[NH+](Cc3ccc(N)nn3)CC2)cc(OC)c1OC ZINC000904342428 851114949 /nfs/dbraw/zinc/11/49/49/851114949.db2.gz HHACCENVUKPTPC-UHFFFAOYSA-N 1 2 359.430 1.407 20 10 FDCDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(O)c1O ZINC000186921606 881850958 /nfs/dbraw/zinc/85/09/58/881850958.db2.gz VXUOTVBVTVPWDO-UHFFFAOYSA-N 1 2 359.401 1.789 20 10 FDCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000173880184 866148439 /nfs/dbraw/zinc/14/84/39/866148439.db2.gz FUCPCUGRQKLGPN-QGZVFWFLSA-N 1 2 369.469 1.493 20 10 FDCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000173880184 866148444 /nfs/dbraw/zinc/14/84/44/866148444.db2.gz FUCPCUGRQKLGPN-QGZVFWFLSA-N 1 2 369.469 1.493 20 10 FDCDLO Cc1ccc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)nn1 ZINC001089863751 896915198 /nfs/dbraw/zinc/91/51/98/896915198.db2.gz GMYAUKNNSGTHNK-IAGOWNOFSA-N 1 2 366.469 1.965 20 10 FDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cc(F)ncn2)CC1 ZINC001089863775 896951995 /nfs/dbraw/zinc/95/19/95/896951995.db2.gz HLWMCCGGZKDQRM-HUUCEWRRSA-N 1 2 370.432 1.796 20 10 FDCDLO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000785429247 905159212 /nfs/dbraw/zinc/15/92/12/905159212.db2.gz XTGCHBMZSAVPCK-YJBOKZPZSA-N 1 2 369.469 1.675 20 10 FDCDLO COC(=O)C[N@H+](CCC(=O)N1CCOCC1)Cc1cc(Cl)ccc1O ZINC000731844454 918669776 /nfs/dbraw/zinc/66/97/76/918669776.db2.gz BIOQJKSDGTWQLB-UHFFFAOYSA-N 1 2 370.833 1.270 20 10 FDCDLO COC(=O)C[N@@H+](CCC(=O)N1CCOCC1)Cc1cc(Cl)ccc1O ZINC000731844454 918669783 /nfs/dbraw/zinc/66/97/83/918669783.db2.gz BIOQJKSDGTWQLB-UHFFFAOYSA-N 1 2 370.833 1.270 20 10 FDCDLO Cn1ncc2c1nc(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[nH]c2=O ZINC000732202670 919242805 /nfs/dbraw/zinc/24/28/05/919242805.db2.gz BHRJDACGYDUASX-AWEZNQCLSA-N 1 2 369.425 1.956 20 10 FDCDLO Cn1ncc2c1nc(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[nH]c2=O ZINC000732202670 919242821 /nfs/dbraw/zinc/24/28/21/919242821.db2.gz BHRJDACGYDUASX-AWEZNQCLSA-N 1 2 369.425 1.956 20 10 FDCDLO COCc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000742927305 926216699 /nfs/dbraw/zinc/21/66/99/926216699.db2.gz NDKMTJODYVCCAJ-UHFFFAOYSA-N 1 2 373.453 1.987 20 10 FDCDLO CN(C)c1cc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc[nH+]1 ZINC000767515088 929354965 /nfs/dbraw/zinc/35/49/65/929354965.db2.gz LHEKUGXIVWAOMS-UHFFFAOYSA-N 1 2 365.411 1.582 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)CC2)cc1 ZINC000791559535 934061930 /nfs/dbraw/zinc/06/19/30/934061930.db2.gz SZCYHDNAOSOGLY-OXJNMPFZSA-N 1 2 373.497 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)CC2)cc1 ZINC000791559535 934061940 /nfs/dbraw/zinc/06/19/40/934061940.db2.gz SZCYHDNAOSOGLY-OXJNMPFZSA-N 1 2 373.497 1.843 20 10 FDCDLO Cc1cc(Br)cc(C[NH+]2CCN(CC(=O)N(C)C)CC2)c1O ZINC000775644777 970769205 /nfs/dbraw/zinc/76/92/05/970769205.db2.gz UTXXDEBQCIEAFX-UHFFFAOYSA-N 1 2 370.291 1.669 20 10 FDCDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816619561 942279699 /nfs/dbraw/zinc/27/96/99/942279699.db2.gz MEAYJPHPULRQHB-MRXNPFEDSA-N 1 2 370.490 1.919 20 10 FDCDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816619561 942279704 /nfs/dbraw/zinc/27/97/04/942279704.db2.gz MEAYJPHPULRQHB-MRXNPFEDSA-N 1 2 370.490 1.919 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000817705844 942900817 /nfs/dbraw/zinc/90/08/17/942900817.db2.gz LSWIYQPXTFPUJX-UHFFFAOYSA-N 1 2 357.458 1.241 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000844957199 948537497 /nfs/dbraw/zinc/53/74/97/948537497.db2.gz ICSKWRMRPGTXAC-INIZCTEOSA-N 1 2 364.490 1.494 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000844957199 948537504 /nfs/dbraw/zinc/53/75/04/948537504.db2.gz ICSKWRMRPGTXAC-INIZCTEOSA-N 1 2 364.490 1.494 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@@H]3CCOC3)cc12 ZINC001184362720 963543318 /nfs/dbraw/zinc/54/33/18/963543318.db2.gz TXFMRPBXQCFODF-ZDUSSCGKSA-N 1 2 360.410 1.392 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@@H]3CCOC3)cc12 ZINC001184362720 963543323 /nfs/dbraw/zinc/54/33/23/963543323.db2.gz TXFMRPBXQCFODF-ZDUSSCGKSA-N 1 2 360.410 1.392 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC4(CCC4)OC[C@@H]3C)CC2)cc1 ZINC000852441690 967314250 /nfs/dbraw/zinc/31/42/50/967314250.db2.gz QEGUHDCPPIYEHL-KRWDZBQOSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CC4(CCC4)OC[C@@H]3C)CC2)cc1 ZINC000852441690 967314260 /nfs/dbraw/zinc/31/42/60/967314260.db2.gz QEGUHDCPPIYEHL-KRWDZBQOSA-N 1 2 373.497 1.987 20 10 FDCDLO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](O)c2c[nH+]c[nH]2)cc1 ZINC000865058989 974045676 /nfs/dbraw/zinc/04/56/76/974045676.db2.gz BKQPKQJPAVHXDC-FUHWJXTLSA-N 1 2 358.442 1.717 20 10 FDCDLO COc1ccc(N2CCC(NC(=O)/C=C\C[NH+]3CCOCC3)CC2)cc1 ZINC000865116090 974109460 /nfs/dbraw/zinc/10/94/60/974109460.db2.gz SPGBTHRSQMFFTJ-IHWYPQMZSA-N 1 2 359.470 1.669 20 10 FDCDLO COc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000847399835 975575536 /nfs/dbraw/zinc/57/55/36/975575536.db2.gz OWCCJIWHKYNEHT-UHFFFAOYSA-N 1 2 359.426 1.849 20 10 FDCDLO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866603147 975826459 /nfs/dbraw/zinc/82/64/59/975826459.db2.gz GFQLYHOVUGLFLL-ZDUSSCGKSA-N 1 2 354.204 1.960 20 10 FDCDLO OCCO[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000883167393 981993814 /nfs/dbraw/zinc/99/38/14/981993814.db2.gz XQALSNLKKIAIFC-AWEZNQCLSA-N 1 2 364.211 1.551 20 10 FDCDLO O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883372340 982101985 /nfs/dbraw/zinc/10/19/85/982101985.db2.gz XFHRCDSKXHJAND-INIZCTEOSA-N 1 2 364.446 1.187 20 10 FDCDLO COc1nc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000858840583 982324855 /nfs/dbraw/zinc/32/48/55/982324855.db2.gz XTTAHESJNGNFGP-UHFFFAOYSA-N 1 2 360.414 1.244 20 10 FDCDLO C[NH+]1CCN(c2ccnc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2)CC1 ZINC000870667159 986214073 /nfs/dbraw/zinc/21/40/73/986214073.db2.gz UBEVSDULSCHYBC-HYXAFXHYSA-N 1 2 354.410 1.897 20 10 FDCDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000364757261 989771925 /nfs/dbraw/zinc/77/19/25/989771925.db2.gz GXJDWZNPZNZCBY-UHFFFAOYSA-N 1 2 360.370 1.444 20 10 FDCDLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000364757261 989771934 /nfs/dbraw/zinc/77/19/34/989771934.db2.gz GXJDWZNPZNZCBY-UHFFFAOYSA-N 1 2 360.370 1.444 20 10 FDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000298169923 989939134 /nfs/dbraw/zinc/93/91/34/989939134.db2.gz CFPHKDBUJXSYBE-UHFFFAOYSA-N 1 2 369.469 1.729 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000879462008 994927588 /nfs/dbraw/zinc/92/75/88/994927588.db2.gz KQKMRRSQJPVEMJ-AWEZNQCLSA-N 1 2 354.472 1.261 20 10 FDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826511022 996808714 /nfs/dbraw/zinc/80/87/14/996808714.db2.gz YBECGEYKFIGTQR-UHFFFAOYSA-N 1 2 355.377 1.429 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cncc(O)c3)CC2)cc1 ZINC000264827848 997627285 /nfs/dbraw/zinc/62/72/85/997627285.db2.gz GPOIKYZOTSVVFH-UHFFFAOYSA-N 1 2 356.426 1.348 20 10 FDCDLO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)ccc21 ZINC000931152627 1003926824 /nfs/dbraw/zinc/92/68/24/1003926824.db2.gz VBMONLRBXJSBNQ-QUCCMNQESA-N 1 2 373.497 1.565 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933668881 1005603907 /nfs/dbraw/zinc/60/39/07/1005603907.db2.gz ZBAGAOYNJVYKTR-PKOBYXMFSA-N 1 2 361.486 1.496 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933668881 1005603909 /nfs/dbraw/zinc/60/39/09/1005603909.db2.gz ZBAGAOYNJVYKTR-PKOBYXMFSA-N 1 2 361.486 1.496 20 10 FDCDLO Cc1csc(N2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000052662479 523232143 /nfs/dbraw/zinc/23/21/43/523232143.db2.gz KSWLEGBBRXBSJF-UHFFFAOYSA-N 1 2 373.526 1.956 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)cc1 ZINC000173465229 524397437 /nfs/dbraw/zinc/39/74/37/524397437.db2.gz NIWDSNBELGMIDA-SFHVURJKSA-N 1 2 369.469 1.746 20 10 FDCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)c1O ZINC000180497258 525711664 /nfs/dbraw/zinc/71/16/64/525711664.db2.gz GWGSIVSQCHXLMK-LLVKDONJSA-N 1 2 357.248 1.488 20 10 FDCDLO CS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261603 526140957 /nfs/dbraw/zinc/14/09/57/526140957.db2.gz KZVYPHRWOWZDCY-AWEZNQCLSA-N 1 2 374.890 1.561 20 10 FDCDLO CS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261603 526140968 /nfs/dbraw/zinc/14/09/68/526140968.db2.gz KZVYPHRWOWZDCY-AWEZNQCLSA-N 1 2 374.890 1.561 20 10 FDCDLO CCCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000109771460 526180435 /nfs/dbraw/zinc/18/04/35/526180435.db2.gz UJBRRSGXIORGFU-GOEBONIOSA-N 1 2 368.499 1.638 20 10 FDCDLO CCCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000109771460 526180446 /nfs/dbraw/zinc/18/04/46/526180446.db2.gz UJBRRSGXIORGFU-GOEBONIOSA-N 1 2 368.499 1.638 20 10 FDCDLO COc1cc(Cl)cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1O ZINC000184675104 536175174 /nfs/dbraw/zinc/17/51/74/536175174.db2.gz MWILTLMSDGXMPR-UHFFFAOYSA-N 1 2 367.877 1.794 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCO[C@@H](C(C)(C)C)C1)cc2=O ZINC000279677548 537352357 /nfs/dbraw/zinc/35/23/57/537352357.db2.gz DZYVGODPYFRVBJ-CQSZACIVSA-N 1 2 362.430 1.859 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCO[C@@H](C(C)(C)C)C1)cc2=O ZINC000279677548 537352363 /nfs/dbraw/zinc/35/23/63/537352363.db2.gz DZYVGODPYFRVBJ-CQSZACIVSA-N 1 2 362.430 1.859 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](COC)c1ccco1)cc2=O ZINC000273220321 537419254 /nfs/dbraw/zinc/41/92/54/537419254.db2.gz AQXNXSUHNXDZMC-CYBMUJFWSA-N 1 2 360.370 1.682 20 10 FDCDLO CN(C)c1ccc(CNC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000198966786 537427753 /nfs/dbraw/zinc/42/77/53/537427753.db2.gz CJQWEOPPUWQKSU-UHFFFAOYSA-N 1 2 356.470 1.780 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cncnc3C)CC2)cc1 ZINC000299301628 537541534 /nfs/dbraw/zinc/54/15/34/537541534.db2.gz BQJSWXDHDUPMAC-UHFFFAOYSA-N 1 2 355.442 1.346 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000289116422 537555836 /nfs/dbraw/zinc/55/58/36/537555836.db2.gz DFUDAFIKTWWLEL-GFCCVEGCSA-N 1 2 373.431 1.165 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000289116422 537555845 /nfs/dbraw/zinc/55/58/45/537555845.db2.gz DFUDAFIKTWWLEL-GFCCVEGCSA-N 1 2 373.431 1.165 20 10 FDCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376198692 537845414 /nfs/dbraw/zinc/84/54/14/537845414.db2.gz KPXCIQZUXYVMTR-NEPJUHHUSA-N 1 2 362.386 1.225 20 10 FDCDLO C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818800 605994530 /nfs/dbraw/zinc/99/45/30/605994530.db2.gz MIFNFUOEBJSHBC-MAUKXSAKSA-N 1 2 362.474 1.295 20 10 FDCDLO C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818800 605994532 /nfs/dbraw/zinc/99/45/32/605994532.db2.gz MIFNFUOEBJSHBC-MAUKXSAKSA-N 1 2 362.474 1.295 20 10 FDCDLO Oc1cccc(Cl)c1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826511120 608514111 /nfs/dbraw/zinc/51/41/11/608514111.db2.gz CPCOPWSXSWDTAT-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1OC ZINC000286515631 675896576 /nfs/dbraw/zinc/89/65/76/675896576.db2.gz ZFTQOVQDSVEZHM-OLZOCXBDSA-N 1 2 351.403 1.911 20 10 FDCDLO COC(=O)c1c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894456227 818078018 /nfs/dbraw/zinc/07/80/18/818078018.db2.gz PPNKKVRPAHTACH-AWEZNQCLSA-N 1 2 361.417 1.620 20 10 FDCDLO COC(=O)c1c(C[N@H+]2CCN3CCOC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894456227 818078022 /nfs/dbraw/zinc/07/80/22/818078022.db2.gz PPNKKVRPAHTACH-AWEZNQCLSA-N 1 2 361.417 1.620 20 10 FDCDLO CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3-c3ccc(OC)cc3)CC[C@@H]2C1 ZINC001087857357 822619335 /nfs/dbraw/zinc/61/93/35/822619335.db2.gz FTBWANCTZBOZFG-CABCVRRESA-N 1 2 370.457 1.361 20 10 FDCDLO CCC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3-c3ccc(OC)cc3)CC[C@@H]2C1 ZINC001087857357 822619338 /nfs/dbraw/zinc/61/93/38/822619338.db2.gz FTBWANCTZBOZFG-CABCVRRESA-N 1 2 370.457 1.361 20 10 FDCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c(C)n1-c1ccccn1 ZINC000896568611 824609217 /nfs/dbraw/zinc/60/92/17/824609217.db2.gz AYEVHPOQJWWNNT-YJBOKZPZSA-N 1 2 355.486 1.853 20 10 FDCDLO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000896568611 824609224 /nfs/dbraw/zinc/60/92/24/824609224.db2.gz AYEVHPOQJWWNNT-YJBOKZPZSA-N 1 2 355.486 1.853 20 10 FDCDLO C[N@@H+]1CCO[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925293439 836131419 /nfs/dbraw/zinc/13/14/19/836131419.db2.gz LKOJYJZJPHALDM-ZDUSSCGKSA-N 1 2 353.806 1.140 20 10 FDCDLO C[N@H+]1CCO[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925293439 836131422 /nfs/dbraw/zinc/13/14/22/836131422.db2.gz LKOJYJZJPHALDM-ZDUSSCGKSA-N 1 2 353.806 1.140 20 10 FDCDLO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708140479 886900119 /nfs/dbraw/zinc/90/01/19/886900119.db2.gz VQDWYHUYTOPJSS-UHFFFAOYSA-N 1 2 371.684 1.789 20 10 FDCDLO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(Br)c(F)cc1O ZINC000761498884 871357880 /nfs/dbraw/zinc/35/78/80/871357880.db2.gz KFBAPYXRWQPSTO-ZETCQYMHSA-N 1 2 360.183 1.496 20 10 FDCDLO CCNS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708141029 886900002 /nfs/dbraw/zinc/90/00/02/886900002.db2.gz ZRWUZERASOFZKF-UHFFFAOYSA-N 1 2 371.684 1.837 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O)cc1 ZINC001084108722 913452004 /nfs/dbraw/zinc/45/20/04/913452004.db2.gz AAWYZFRKBGTCRW-CVEARBPZSA-N 1 2 368.397 1.219 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)cc1 ZINC001084108722 913452009 /nfs/dbraw/zinc/45/20/09/913452009.db2.gz AAWYZFRKBGTCRW-CVEARBPZSA-N 1 2 368.397 1.219 20 10 FDCDLO Cc1cc(N2CC=C(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC001089866130 897129249 /nfs/dbraw/zinc/12/92/49/897129249.db2.gz HEGXXMDHBMHCLH-CVEARBPZSA-N 1 2 369.469 1.427 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(O)cccc3O)CC2)cc1 ZINC000770408375 930005191 /nfs/dbraw/zinc/00/51/91/930005191.db2.gz IULSLOXIGPWBJJ-UHFFFAOYSA-N 1 2 371.437 1.658 20 10 FDCDLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788911440 932875898 /nfs/dbraw/zinc/87/58/98/932875898.db2.gz NMYVEEHZCVUQGH-UHFFFAOYSA-N 1 2 369.469 1.696 20 10 FDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822688850 945162923 /nfs/dbraw/zinc/16/29/23/945162923.db2.gz VXNDQCUBAYLNIZ-HUUCEWRRSA-N 1 2 358.417 1.816 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000809460095 940842608 /nfs/dbraw/zinc/84/26/08/940842608.db2.gz OZCWKKNHDCRKPT-OAHLLOKOSA-N 1 2 355.442 1.039 20 10 FDCDLO CCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3-c3ccc(OC)cc3)C[C@@]2(C)C1 ZINC001091409051 951612791 /nfs/dbraw/zinc/61/27/91/951612791.db2.gz OGOLQAIEGWMOJO-KUHUBIRLSA-N 1 2 370.457 1.361 20 10 FDCDLO CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3-c3ccc(OC)cc3)C[C@@]2(C)C1 ZINC001091409051 951612795 /nfs/dbraw/zinc/61/27/95/951612795.db2.gz OGOLQAIEGWMOJO-KUHUBIRLSA-N 1 2 370.457 1.361 20 10 FDCDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715813124 958480191 /nfs/dbraw/zinc/48/01/91/958480191.db2.gz MCQUYWQITRLGCK-QWRGUYRKSA-N 1 2 368.224 1.195 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3CCC[C@H]3CO)cc12 ZINC001184361567 963544224 /nfs/dbraw/zinc/54/42/24/963544224.db2.gz XDMLICCQWKRUPU-BBRMVZONSA-N 1 2 374.437 1.516 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3CCC[C@H]3CO)cc12 ZINC001184361567 963544230 /nfs/dbraw/zinc/54/42/30/963544230.db2.gz XDMLICCQWKRUPU-BBRMVZONSA-N 1 2 374.437 1.516 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000854296478 968743277 /nfs/dbraw/zinc/74/32/77/968743277.db2.gz DRJIOQBTOWBZAW-ZYSHUDEJSA-N 1 2 374.485 1.436 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000854296478 968743286 /nfs/dbraw/zinc/74/32/86/968743286.db2.gz DRJIOQBTOWBZAW-ZYSHUDEJSA-N 1 2 374.485 1.436 20 10 FDCDLO C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)[NH+]1CCOCC1 ZINC000105206678 974467572 /nfs/dbraw/zinc/46/75/72/974467572.db2.gz YCODHQORONLNBB-CVEARBPZSA-N 1 2 360.502 1.977 20 10 FDCDLO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000866457752 975674562 /nfs/dbraw/zinc/67/45/62/975674562.db2.gz UEQGXQNCFVHAOH-QMMMGPOBSA-N 1 2 369.256 1.884 20 10 FDCDLO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852138688 979384672 /nfs/dbraw/zinc/38/46/72/979384672.db2.gz RLDKBPDLJONXGA-LJQANCHMSA-N 1 2 356.470 1.679 20 10 FDCDLO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4[nH]ncc43)cc2)CC1 ZINC000881851458 980213622 /nfs/dbraw/zinc/21/36/22/980213622.db2.gz VDMFOEVSLKXEML-QGZVFWFLSA-N 1 2 353.470 1.898 20 10 FDCDLO COc1ccc(N2CCC(NS(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000881854804 980220771 /nfs/dbraw/zinc/22/07/71/980220771.db2.gz HSYUFFVMYJAOOP-UHFFFAOYSA-N 1 2 364.471 1.480 20 10 FDCDLO Oc1cc(Br)ccc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862444960 984392605 /nfs/dbraw/zinc/39/26/05/984392605.db2.gz ZPRCCCUFANMDSS-UHFFFAOYSA-N 1 2 350.220 1.662 20 10 FDCDLO CC[C@@]1(C)C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000135636369 984924820 /nfs/dbraw/zinc/92/48/20/984924820.db2.gz UTJCPFQIMSXIQK-FQEVSTJZSA-N 1 2 361.486 1.845 20 10 FDCDLO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000135636369 984924827 /nfs/dbraw/zinc/92/48/27/984924827.db2.gz UTJCPFQIMSXIQK-FQEVSTJZSA-N 1 2 361.486 1.845 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H]3CCN(C4CCOCC4)C3=O)CC2)cc1 ZINC000370044728 989411587 /nfs/dbraw/zinc/41/15/87/989411587.db2.gz HBJSCZBCAOFAIU-IBGZPJMESA-N 1 2 359.470 1.597 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000297808755 989705132 /nfs/dbraw/zinc/70/51/32/989705132.db2.gz KUSPNGICTSNWNF-UHFFFAOYSA-N 1 2 369.469 1.840 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000875679760 991903305 /nfs/dbraw/zinc/90/33/05/991903305.db2.gz RNXPKDTTYUBRKK-CABCVRRESA-N 1 2 355.442 1.642 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744679 992934458 /nfs/dbraw/zinc/93/44/58/992934458.db2.gz SUOZQWKQSSXELC-GJZGRUSLSA-N 1 2 372.448 1.506 20 10 FDCDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877694964 993449443 /nfs/dbraw/zinc/44/94/43/993449443.db2.gz IZMBDXDXIRTSFD-IBGZPJMESA-N 1 2 367.442 1.960 20 10 FDCDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877694964 993449446 /nfs/dbraw/zinc/44/94/46/993449446.db2.gz IZMBDXDXIRTSFD-IBGZPJMESA-N 1 2 367.442 1.960 20 10 FDCDLO COc1c(O)c(CN(C)CC[NH+]2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000877766224 993502535 /nfs/dbraw/zinc/50/25/35/993502535.db2.gz TYWNXKJVUCMZTM-UHFFFAOYSA-N 1 2 365.430 1.853 20 10 FDCDLO COc1c(O)c(C[N@H+](C)CCN2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000877766224 993502539 /nfs/dbraw/zinc/50/25/39/993502539.db2.gz TYWNXKJVUCMZTM-UHFFFAOYSA-N 1 2 365.430 1.853 20 10 FDCDLO COc1c(O)c(C[N@@H+](C)CCN2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000877766224 993502546 /nfs/dbraw/zinc/50/25/46/993502546.db2.gz TYWNXKJVUCMZTM-UHFFFAOYSA-N 1 2 365.430 1.853 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1O ZINC000879190257 994615443 /nfs/dbraw/zinc/61/54/43/994615443.db2.gz LNBZJFUKSSRFAL-MRXNPFEDSA-N 1 2 374.416 1.862 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1O ZINC000879190257 994615450 /nfs/dbraw/zinc/61/54/50/994615450.db2.gz LNBZJFUKSSRFAL-MRXNPFEDSA-N 1 2 374.416 1.862 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933668879 1005603927 /nfs/dbraw/zinc/60/39/27/1005603927.db2.gz ZBAGAOYNJVYKTR-IEBWSBKVSA-N 1 2 361.486 1.496 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933668879 1005603928 /nfs/dbraw/zinc/60/39/28/1005603928.db2.gz ZBAGAOYNJVYKTR-IEBWSBKVSA-N 1 2 361.486 1.496 20 10 FDCDLO O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000057423274 522085691 /nfs/dbraw/zinc/08/56/91/522085691.db2.gz RJJNGGDNJURPRB-UHFFFAOYSA-N 1 2 361.421 1.748 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3nc(N)nc(N(C)C)n3)CC2)cc1 ZINC000053774164 523506341 /nfs/dbraw/zinc/50/63/41/523506341.db2.gz LKRXOGGMFJZZNU-UHFFFAOYSA-N 1 2 357.462 1.241 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3nc(N)nc(N(C)C)n3)CC2)cc1 ZINC000053774164 523506353 /nfs/dbraw/zinc/50/63/53/523506353.db2.gz LKRXOGGMFJZZNU-UHFFFAOYSA-N 1 2 357.462 1.241 20 10 FDCDLO COc1ccc(N2CCN(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)cc1F ZINC000084732608 524325886 /nfs/dbraw/zinc/32/58/86/524325886.db2.gz LYJKBQQZQOTMAA-AWEZNQCLSA-N 1 2 361.421 1.951 20 10 FDCDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180765170 525753024 /nfs/dbraw/zinc/75/30/24/525753024.db2.gz RLKSQZPIALEMMR-UHFFFAOYSA-N 1 2 354.834 1.937 20 10 FDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 ZINC000368917504 537994144 /nfs/dbraw/zinc/99/41/44/537994144.db2.gz ICLSEMMWILEHCO-CQSZACIVSA-N 1 2 362.474 1.782 20 10 FDCDLO C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818801 605994404 /nfs/dbraw/zinc/99/44/04/605994404.db2.gz MIFNFUOEBJSHBC-QAPCUYQASA-N 1 2 362.474 1.295 20 10 FDCDLO C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818801 605994405 /nfs/dbraw/zinc/99/44/05/605994405.db2.gz MIFNFUOEBJSHBC-QAPCUYQASA-N 1 2 362.474 1.295 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CC(C)C)CC2)cc1 ZINC000038598313 670883897 /nfs/dbraw/zinc/88/38/97/670883897.db2.gz UNBJAHGBMATMKS-UHFFFAOYSA-N 1 2 355.504 1.393 20 10 FDCDLO O=C(CN1CCOCC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000124319477 671735955 /nfs/dbraw/zinc/73/59/55/671735955.db2.gz OWABUHUNBNSBTM-UHFFFAOYSA-N 1 2 353.850 1.022 20 10 FDCDLO COc1c(O)c(C[NH+]2CCC(CS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000292740765 676309278 /nfs/dbraw/zinc/30/92/78/676309278.db2.gz HHTYFMQWDSNVHO-UHFFFAOYSA-N 1 2 358.416 1.566 20 10 FDCDLO Nc1ccc(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000237905498 809528433 /nfs/dbraw/zinc/52/84/33/809528433.db2.gz RCUDGZGUJUGGJD-UHFFFAOYSA-N 1 2 369.465 1.839 20 10 FDCDLO CN(c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1)C1CCCCC1 ZINC000237054605 810686214 /nfs/dbraw/zinc/68/62/14/810686214.db2.gz COBFWOSNJRWQBT-UHFFFAOYSA-N 1 2 358.486 1.504 20 10 FDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088044 820181179 /nfs/dbraw/zinc/18/11/79/820181179.db2.gz GTAXAGRONZCXJW-GXSJLCMTSA-N 1 2 362.195 1.650 20 10 FDCDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088044 820181182 /nfs/dbraw/zinc/18/11/82/820181182.db2.gz GTAXAGRONZCXJW-GXSJLCMTSA-N 1 2 362.195 1.650 20 10 FDCDLO COC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)C[C@@H]1S(C)(=O)=O ZINC000895508798 822632008 /nfs/dbraw/zinc/63/20/08/822632008.db2.gz LPPDYNNVVLCHJE-SMDDNHRTSA-N 1 2 365.810 1.251 20 10 FDCDLO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000895552722 822648927 /nfs/dbraw/zinc/64/89/27/822648927.db2.gz RDLGAAHOJOLIBI-UHFFFAOYSA-N 1 2 353.413 1.976 20 10 FDCDLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000897618281 840021918 /nfs/dbraw/zinc/02/19/18/840021918.db2.gz BZSDGSUABQRJBG-GASCZTMLSA-N 1 2 354.447 1.139 20 10 FDCDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000897618281 840021926 /nfs/dbraw/zinc/02/19/26/840021926.db2.gz BZSDGSUABQRJBG-GASCZTMLSA-N 1 2 354.447 1.139 20 10 FDCDLO Cc1nc(N(C)C)nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]1 ZINC000764393729 904536695 /nfs/dbraw/zinc/53/66/95/904536695.db2.gz ZEYVAKYHDHOIRC-UHFFFAOYSA-N 1 2 360.437 1.958 20 10 FDCDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933070 906012650 /nfs/dbraw/zinc/01/26/50/906012650.db2.gz NUKXBTVNQBPJOA-SJORKVTESA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933070 906012661 /nfs/dbraw/zinc/01/26/61/906012661.db2.gz NUKXBTVNQBPJOA-SJORKVTESA-N 1 2 361.486 1.843 20 10 FDCDLO C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000827792080 924739535 /nfs/dbraw/zinc/73/95/35/924739535.db2.gz FBVSIYCEBXVQOQ-VKAVYKQESA-N 1 2 359.470 1.418 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000788951277 932885755 /nfs/dbraw/zinc/88/57/55/932885755.db2.gz OVCYTPANPWNNQJ-MRXNPFEDSA-N 1 2 369.469 1.477 20 10 FDCDLO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000806279767 939878253 /nfs/dbraw/zinc/87/82/53/939878253.db2.gz ZCQZYBLXDROABK-NSHDSACASA-N 1 2 365.484 1.069 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000819697146 943695639 /nfs/dbraw/zinc/69/56/39/943695639.db2.gz QQKDVIHEUFXKSC-CQSZACIVSA-N 1 2 366.483 1.721 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cc2)CC1 ZINC000844491085 948116845 /nfs/dbraw/zinc/11/68/45/948116845.db2.gz SXTRBFCLAMDDLN-MRXNPFEDSA-N 1 2 369.469 1.819 20 10 FDCDLO CCC[C@@H](C)S(=O)(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000845858061 950024919 /nfs/dbraw/zinc/02/49/19/950024919.db2.gz UWHUAXBJXSEJME-MRXNPFEDSA-N 1 2 369.531 1.925 20 10 FDCDLO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1c(F)ccc(O)c1O ZINC000857328810 971719220 /nfs/dbraw/zinc/71/92/20/971719220.db2.gz HCHCHWIPSPRPIE-ZIAGYGMSSA-N 1 2 350.390 1.610 20 10 FDCDLO O=C(CCc1ccc(O)c(O)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001182154085 961501881 /nfs/dbraw/zinc/50/18/81/961501881.db2.gz AHOPTWCOQZDZSI-UHFFFAOYSA-N 1 2 368.393 1.848 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001183672325 963215261 /nfs/dbraw/zinc/21/52/61/963215261.db2.gz LAKVNVKQOLGSBU-NEPJUHHUSA-N 1 2 356.400 1.176 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001183672325 963215273 /nfs/dbraw/zinc/21/52/73/963215273.db2.gz LAKVNVKQOLGSBU-NEPJUHHUSA-N 1 2 356.400 1.176 20 10 FDCDLO CC1(C)C[NH+](CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848220802 976496014 /nfs/dbraw/zinc/49/60/14/976496014.db2.gz NDMSBMGEQXXODV-UHFFFAOYSA-N 1 2 353.413 1.759 20 10 FDCDLO CCN(C)c1ccc(Cn2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)nn2)cc1 ZINC000881313345 979826930 /nfs/dbraw/zinc/82/69/30/979826930.db2.gz JLHCJTXDTNWZDD-HNNXBMFYSA-N 1 2 363.487 1.059 20 10 FDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000862482284 984398850 /nfs/dbraw/zinc/39/88/50/984398850.db2.gz RICIZOMBOLDKIC-GFCCVEGCSA-N 1 2 362.796 1.991 20 10 FDCDLO CCn1nc(C)c(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000293232758 987999652 /nfs/dbraw/zinc/99/96/52/987999652.db2.gz KTLFFMZDSGHUFV-UHFFFAOYSA-N 1 2 372.473 1.167 20 10 FDCDLO Cc1ccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c(O)c1O ZINC000360641839 988098074 /nfs/dbraw/zinc/09/80/74/988098074.db2.gz LZDHRUJQWHUUPN-UHFFFAOYSA-N 1 2 361.442 1.352 20 10 FDCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437182 990113079 /nfs/dbraw/zinc/11/30/79/990113079.db2.gz GSWWUOSRIKTKHG-IEZWGBDMSA-N 1 2 359.470 1.642 20 10 FDCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437182 990113084 /nfs/dbraw/zinc/11/30/84/990113084.db2.gz GSWWUOSRIKTKHG-IEZWGBDMSA-N 1 2 359.470 1.642 20 10 FDCDLO C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(N2CCOCC2)cc1 ZINC000875156779 990977746 /nfs/dbraw/zinc/97/77/46/990977746.db2.gz CNVSEKQGMRCITR-GOEBONIOSA-N 1 2 355.442 1.705 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000875679763 991903982 /nfs/dbraw/zinc/90/39/82/991903982.db2.gz RNXPKDTTYUBRKK-LSDHHAIUSA-N 1 2 355.442 1.642 20 10 FDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165685 993079584 /nfs/dbraw/zinc/07/95/84/993079584.db2.gz PSZFKENSDMFHDS-RBUKOAKNSA-N 1 2 362.470 1.800 20 10 FDCDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165685 993079591 /nfs/dbraw/zinc/07/95/91/993079591.db2.gz PSZFKENSDMFHDS-RBUKOAKNSA-N 1 2 362.470 1.800 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000877611194 993378410 /nfs/dbraw/zinc/37/84/10/993378410.db2.gz XWHCFPKJCHWLDF-MRXNPFEDSA-N 1 2 359.474 1.891 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000877611194 993378429 /nfs/dbraw/zinc/37/84/29/993378429.db2.gz XWHCFPKJCHWLDF-MRXNPFEDSA-N 1 2 359.474 1.891 20 10 FDCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826510777 996808418 /nfs/dbraw/zinc/80/84/18/996808418.db2.gz KCXYFEXTPYOXGJ-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000779513367 1009665111 /nfs/dbraw/zinc/66/51/11/1009665111.db2.gz IEVZXKDGXFPDCD-DUXPYHPUSA-N 1 2 358.398 1.278 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000079399160 523745189 /nfs/dbraw/zinc/74/51/89/523745189.db2.gz TWIRDCOWWXTCAL-CQSZACIVSA-N 1 2 358.435 1.638 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000079399160 523745196 /nfs/dbraw/zinc/74/51/96/523745196.db2.gz TWIRDCOWWXTCAL-CQSZACIVSA-N 1 2 358.435 1.638 20 10 FDCDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866070 524333755 /nfs/dbraw/zinc/33/37/55/524333755.db2.gz OPDOULBCBWOORD-HNNXBMFYSA-N 1 2 367.465 1.888 20 10 FDCDLO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000176581363 525144675 /nfs/dbraw/zinc/14/46/75/525144675.db2.gz TYYZPNAJIYJRAD-QGZVFWFLSA-N 1 2 372.469 1.254 20 10 FDCDLO C[C@@H]1OCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000155985553 526028007 /nfs/dbraw/zinc/02/80/07/526028007.db2.gz PLQPIWBAGHGSAD-GJZGRUSLSA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@@H]1OCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000155985553 526028008 /nfs/dbraw/zinc/02/80/08/526028008.db2.gz PLQPIWBAGHGSAD-GJZGRUSLSA-N 1 2 365.449 1.388 20 10 FDCDLO CCc1nnc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000190688512 537183644 /nfs/dbraw/zinc/18/36/44/537183644.db2.gz IHLSXAGNJCGHBT-UHFFFAOYSA-N 1 2 370.501 1.929 20 10 FDCDLO CCc1n[nH]c(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000190688512 537183646 /nfs/dbraw/zinc/18/36/46/537183646.db2.gz IHLSXAGNJCGHBT-UHFFFAOYSA-N 1 2 370.501 1.929 20 10 FDCDLO CCc1nc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000190688512 537183649 /nfs/dbraw/zinc/18/36/49/537183649.db2.gz IHLSXAGNJCGHBT-UHFFFAOYSA-N 1 2 370.501 1.929 20 10 FDCDLO COCCN1CCC[N@H+](Cc2cc(Br)ccc2O)CC1=O ZINC000191697699 537210260 /nfs/dbraw/zinc/21/02/60/537210260.db2.gz GVUVXDVSQFVMBZ-UHFFFAOYSA-N 1 2 357.248 1.835 20 10 FDCDLO COCCN1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1=O ZINC000191697699 537210262 /nfs/dbraw/zinc/21/02/62/537210262.db2.gz GVUVXDVSQFVMBZ-UHFFFAOYSA-N 1 2 357.248 1.835 20 10 FDCDLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000276500820 537555041 /nfs/dbraw/zinc/55/50/41/537555041.db2.gz XRFYPMRPHYKESO-VCGVYRDQSA-N 1 2 367.409 1.963 20 10 FDCDLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000276500820 537555049 /nfs/dbraw/zinc/55/50/49/537555049.db2.gz XRFYPMRPHYKESO-VCGVYRDQSA-N 1 2 367.409 1.963 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000285583147 537733066 /nfs/dbraw/zinc/73/30/66/537733066.db2.gz LAXPOPGHLGZWPX-UHFFFAOYSA-N 1 2 353.470 1.892 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000285583147 537733067 /nfs/dbraw/zinc/73/30/67/537733067.db2.gz LAXPOPGHLGZWPX-UHFFFAOYSA-N 1 2 353.470 1.892 20 10 FDCDLO Oc1cccc(Cl)c1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826511376 608517421 /nfs/dbraw/zinc/51/74/21/608517421.db2.gz MXKFJSPARYFDEX-UHFFFAOYSA-N 1 2 371.832 1.943 20 10 FDCDLO O=C1NC(=S)NC(=O)C1=CNc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000029008738 670800598 /nfs/dbraw/zinc/80/05/98/670800598.db2.gz HFBDZVYVUWOOGT-UHFFFAOYSA-N 1 2 355.423 1.589 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000378015412 793392870 /nfs/dbraw/zinc/39/28/70/793392870.db2.gz AGODMTDEGICCQD-UHFFFAOYSA-N 1 2 365.449 1.766 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000378015412 793392885 /nfs/dbraw/zinc/39/28/85/793392885.db2.gz AGODMTDEGICCQD-UHFFFAOYSA-N 1 2 365.449 1.766 20 10 FDCDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000295664985 817863027 /nfs/dbraw/zinc/86/30/27/817863027.db2.gz QVDWBZQJEBSVSV-QGZVFWFLSA-N 1 2 362.474 1.531 20 10 FDCDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000295664985 817863040 /nfs/dbraw/zinc/86/30/40/817863040.db2.gz QVDWBZQJEBSVSV-QGZVFWFLSA-N 1 2 362.474 1.531 20 10 FDCDLO COCCOCC[N@H+](CCO)Cc1cc(Br)cc(F)c1O ZINC000895391077 822573540 /nfs/dbraw/zinc/57/35/40/822573540.db2.gz SWRCYBLUAYVFCS-UHFFFAOYSA-N 1 2 366.227 1.751 20 10 FDCDLO COCCOCC[N@@H+](CCO)Cc1cc(Br)cc(F)c1O ZINC000895391077 822573541 /nfs/dbraw/zinc/57/35/41/822573541.db2.gz SWRCYBLUAYVFCS-UHFFFAOYSA-N 1 2 366.227 1.751 20 10 FDCDLO Cc1cc(Br)cc(C[NH+]2CC(C3CS(=O)(=O)C3)C2)c1O ZINC000895426814 822592833 /nfs/dbraw/zinc/59/28/33/822592833.db2.gz BTSTVURORGSJAI-UHFFFAOYSA-N 1 2 360.273 1.940 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)ccc21 ZINC000913551044 862368750 /nfs/dbraw/zinc/36/87/50/862368750.db2.gz HHXMRPSLBSQZNC-KRWDZBQOSA-N 1 2 359.470 1.653 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)ccc21 ZINC000913551044 862368768 /nfs/dbraw/zinc/36/87/68/862368768.db2.gz HHXMRPSLBSQZNC-KRWDZBQOSA-N 1 2 359.470 1.653 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC3(C1)CC(F)(F)C3)cc2=O ZINC000761112858 864142687 /nfs/dbraw/zinc/14/26/87/864142687.db2.gz CNBSTEXHBFPBLW-UHFFFAOYSA-N 1 2 352.341 1.843 20 10 FDCDLO O=C(NCc1c(O)cccc1F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000914328515 872379706 /nfs/dbraw/zinc/37/97/06/872379706.db2.gz OSRQWGLJURPLOM-QGZVFWFLSA-N 1 2 369.462 1.538 20 10 FDCDLO C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(N(C)C)cc1 ZINC000806990245 940179285 /nfs/dbraw/zinc/17/92/85/940179285.db2.gz YYRMBDKOGOSFGC-AWEZNQCLSA-N 1 2 365.437 1.894 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(N(C)C)cc1 ZINC000807675518 940452402 /nfs/dbraw/zinc/45/24/02/940452402.db2.gz ANOHPWMJSLBRAT-OAHLLOKOSA-N 1 2 369.469 1.990 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncc(OC)cn3)CC2)cc1 ZINC000815135511 941790234 /nfs/dbraw/zinc/79/02/34/941790234.db2.gz XKMKEPMJDGXTFS-UHFFFAOYSA-N 1 2 371.441 1.046 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000817120338 942559298 /nfs/dbraw/zinc/55/92/98/942559298.db2.gz HCQYGUKCPGEMSM-MRXNPFEDSA-N 1 2 371.485 1.511 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2F)CC1 ZINC000819032687 943408192 /nfs/dbraw/zinc/40/81/92/943408192.db2.gz JQBCEXLIPRZFBN-GOSISDBHSA-N 1 2 364.509 1.512 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC[C@@H](O)C[N@@H+](C)C3CC3)cc2F)CC1 ZINC000819032687 943408203 /nfs/dbraw/zinc/40/82/03/943408203.db2.gz JQBCEXLIPRZFBN-GOSISDBHSA-N 1 2 364.509 1.512 20 10 FDCDLO O[C@@H](CNc1ccccc1OC[C@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000819425634 943582537 /nfs/dbraw/zinc/58/25/37/943582537.db2.gz FRLGETTXYQKPBB-DLBZAZTESA-N 1 2 350.459 1.740 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000823576728 945832025 /nfs/dbraw/zinc/83/20/25/945832025.db2.gz WTQAXDLQMNGIKJ-HNNXBMFYSA-N 1 2 363.410 1.993 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000823576728 945832039 /nfs/dbraw/zinc/83/20/39/945832039.db2.gz WTQAXDLQMNGIKJ-HNNXBMFYSA-N 1 2 363.410 1.993 20 10 FDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000824999782 947031978 /nfs/dbraw/zinc/03/19/78/947031978.db2.gz JPGNPICKMDVNEO-LLVKDONJSA-N 1 2 370.392 1.212 20 10 FDCDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824999782 947031987 /nfs/dbraw/zinc/03/19/87/947031987.db2.gz JPGNPICKMDVNEO-LLVKDONJSA-N 1 2 370.392 1.212 20 10 FDCDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000844392986 948023975 /nfs/dbraw/zinc/02/39/75/948023975.db2.gz CZKNKLVIZBPNIS-JKSUJKDBSA-N 1 2 361.417 1.893 20 10 FDCDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000844392986 948023981 /nfs/dbraw/zinc/02/39/81/948023981.db2.gz CZKNKLVIZBPNIS-JKSUJKDBSA-N 1 2 361.417 1.893 20 10 FDCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144504545 949715658 /nfs/dbraw/zinc/71/56/58/949715658.db2.gz UOMDCQPKWSQHEC-CZUORRHYSA-N 1 2 366.414 1.624 20 10 FDCDLO CC(C)(C)OC(=O)N1C[C@H]2OCC[N@@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144504545 949715660 /nfs/dbraw/zinc/71/56/60/949715660.db2.gz UOMDCQPKWSQHEC-CZUORRHYSA-N 1 2 366.414 1.624 20 10 FDCDLO COC(=O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCC[C@@H](OC)C1 ZINC000846109077 950509532 /nfs/dbraw/zinc/50/95/32/950509532.db2.gz RUZCSVKNDBLKGW-XTQGRXLLSA-N 1 2 351.399 1.957 20 10 FDCDLO CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc4[nH+]ccn4c3)ccc21 ZINC000774186434 961808160 /nfs/dbraw/zinc/80/81/60/961808160.db2.gz CXGZCCIACVSDAR-UHFFFAOYSA-N 1 2 363.421 1.972 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1c(O)cccc1F ZINC001178412807 964228089 /nfs/dbraw/zinc/22/80/89/964228089.db2.gz GFLQGSRHGQQRDC-OAHLLOKOSA-N 1 2 362.405 1.644 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c(O)cccc1F ZINC001178412807 964228100 /nfs/dbraw/zinc/22/81/00/964228100.db2.gz GFLQGSRHGQQRDC-OAHLLOKOSA-N 1 2 362.405 1.644 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000775063031 964892689 /nfs/dbraw/zinc/89/26/89/964892689.db2.gz MKVLXAUBDVGDSI-UHFFFAOYSA-N 1 2 366.418 1.887 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000775063031 964892705 /nfs/dbraw/zinc/89/27/05/964892705.db2.gz MKVLXAUBDVGDSI-UHFFFAOYSA-N 1 2 366.418 1.887 20 10 FDCDLO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCN1c1nccn2cnnc12 ZINC001179980852 965050657 /nfs/dbraw/zinc/05/06/57/965050657.db2.gz SIBYBFPUXNKXRY-NSHDSACASA-N 1 2 360.368 1.819 20 10 FDCDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000853616668 968196209 /nfs/dbraw/zinc/19/62/09/968196209.db2.gz YKRVRKKNWANNMB-KRWDZBQOSA-N 1 2 357.410 1.115 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@@H](C)O)[nH+]cn3)CC2)c(OC)c1 ZINC000866139516 975428731 /nfs/dbraw/zinc/42/87/31/975428731.db2.gz WPLOTLXOPCUXES-CQSZACIVSA-N 1 2 373.457 1.613 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@@H](C)O)nc[nH+]3)CC2)c(OC)c1 ZINC000866139516 975428734 /nfs/dbraw/zinc/42/87/34/975428734.db2.gz WPLOTLXOPCUXES-CQSZACIVSA-N 1 2 373.457 1.613 20 10 FDCDLO COC(=O)[C@H]([NH3+])Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379561 979895431 /nfs/dbraw/zinc/89/54/31/979895431.db2.gz URAJOHWGSPEXGC-QGZVFWFLSA-N 1 2 357.458 1.668 20 10 FDCDLO COC1CCN(c2ccc(Cn3cc(C[N@H+](C)CCO)nn3)cc2)CC1 ZINC000881379620 979895513 /nfs/dbraw/zinc/89/55/13/979895513.db2.gz VMRGDODBHCOBHQ-UHFFFAOYSA-N 1 2 359.474 1.366 20 10 FDCDLO COC1CCN(c2ccc(Cn3cc(C[N@@H+](C)CCO)nn3)cc2)CC1 ZINC000881379620 979895528 /nfs/dbraw/zinc/89/55/28/979895528.db2.gz VMRGDODBHCOBHQ-UHFFFAOYSA-N 1 2 359.474 1.366 20 10 FDCDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1c(O)cccc1Br ZINC000862251902 984283815 /nfs/dbraw/zinc/28/38/15/984283815.db2.gz QMWCNXLPMONSMI-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1c(O)cccc1Br ZINC000862251902 984283823 /nfs/dbraw/zinc/28/38/23/984283823.db2.gz QMWCNXLPMONSMI-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000369707551 989109618 /nfs/dbraw/zinc/10/96/18/989109618.db2.gz UGZVLKJFRVXJLW-ICSRJNTNSA-N 1 2 361.486 1.639 20 10 FDCDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000369707551 989109628 /nfs/dbraw/zinc/10/96/28/989109628.db2.gz UGZVLKJFRVXJLW-ICSRJNTNSA-N 1 2 361.486 1.639 20 10 FDCDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000373110969 991927239 /nfs/dbraw/zinc/92/72/39/991927239.db2.gz FVQQPLATTAOKOC-FNORWQNLSA-N 1 2 361.442 1.170 20 10 FDCDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000373110969 991927243 /nfs/dbraw/zinc/92/72/43/991927243.db2.gz FVQQPLATTAOKOC-FNORWQNLSA-N 1 2 361.442 1.170 20 10 FDCDLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@@H]2C1 ZINC000877790263 993515212 /nfs/dbraw/zinc/51/52/12/993515212.db2.gz FANLAAXISZOTII-HZPDHXFCSA-N 1 2 368.474 1.529 20 10 FDCDLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@@H]2C1 ZINC000877790263 993515222 /nfs/dbraw/zinc/51/52/22/993515222.db2.gz FANLAAXISZOTII-HZPDHXFCSA-N 1 2 368.474 1.529 20 10 FDCDLO COc1cc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000826114328 995104427 /nfs/dbraw/zinc/10/44/27/995104427.db2.gz XFTQFMPNYDSSIS-UHFFFAOYSA-N 1 2 359.430 1.446 20 10 FDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000925586864 995671580 /nfs/dbraw/zinc/67/15/80/995671580.db2.gz UTZZQWNTPSCLGC-KGLIPLIRSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH+](CCO)CC3)c2C)cc1 ZINC000078623454 1009536612 /nfs/dbraw/zinc/53/66/12/1009536612.db2.gz FENHLFXHQQXQLE-UHFFFAOYSA-N 1 2 357.454 1.853 20 10 FDCDLO CCOC(=O)CCCNC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000060935174 522426664 /nfs/dbraw/zinc/42/66/64/522426664.db2.gz XDALFZHYFGZNMH-UHFFFAOYSA-N 1 2 363.458 1.277 20 10 FDCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000073915568 522633480 /nfs/dbraw/zinc/63/34/80/522633480.db2.gz NICDQXHXAFIGQU-INIZCTEOSA-N 1 2 364.465 1.898 20 10 FDCDLO O=C(NCC[NH+]1CCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000053955145 523538925 /nfs/dbraw/zinc/53/89/25/523538925.db2.gz ZHDWKZUBJKUTLE-QGZVFWFLSA-N 1 2 363.458 1.415 20 10 FDCDLO COc1ccc(O)c(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000114586949 524832974 /nfs/dbraw/zinc/83/29/74/524832974.db2.gz YSNNDWMRDZRRCT-UHFFFAOYSA-N 1 2 353.382 1.981 20 10 FDCDLO Cc1cc(Cl)cc(C[N@H+](C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1O ZINC000179769324 525629507 /nfs/dbraw/zinc/62/95/07/525629507.db2.gz IBHZVFHMWFBCNI-CYBMUJFWSA-N 1 2 360.863 1.089 20 10 FDCDLO Cc1cc(Cl)cc(C[N@@H+](C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1O ZINC000179769324 525629513 /nfs/dbraw/zinc/62/95/13/525629513.db2.gz IBHZVFHMWFBCNI-CYBMUJFWSA-N 1 2 360.863 1.089 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106580766 525760915 /nfs/dbraw/zinc/76/09/15/525760915.db2.gz CZYHESYKEQOWEP-KRWDZBQOSA-N 1 2 361.534 1.920 20 10 FDCDLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000131588638 525877262 /nfs/dbraw/zinc/87/72/62/525877262.db2.gz ZFKCLZFQFPNCOW-UKRRQHHQSA-N 1 2 354.472 1.248 20 10 FDCDLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000131588638 525877269 /nfs/dbraw/zinc/87/72/69/525877269.db2.gz ZFKCLZFQFPNCOW-UKRRQHHQSA-N 1 2 354.472 1.248 20 10 FDCDLO CCCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000109771456 526179447 /nfs/dbraw/zinc/17/94/47/526179447.db2.gz UJBRRSGXIORGFU-ZBFHGGJFSA-N 1 2 368.499 1.638 20 10 FDCDLO CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000109771456 526179460 /nfs/dbraw/zinc/17/94/60/526179460.db2.gz UJBRRSGXIORGFU-ZBFHGGJFSA-N 1 2 368.499 1.638 20 10 FDCDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000188886809 536965300 /nfs/dbraw/zinc/96/53/00/536965300.db2.gz VCICYQBPAKZPGS-CQSZACIVSA-N 1 2 356.426 1.582 20 10 FDCDLO C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1CCN(C)CC1 ZINC000263713161 537075656 /nfs/dbraw/zinc/07/56/56/537075656.db2.gz VMRBLNGUMIQKQO-QGZVFWFLSA-N 1 2 360.502 1.118 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000279578404 537350983 /nfs/dbraw/zinc/35/09/83/537350983.db2.gz UIHCPZDWOVVWCD-KRWDZBQOSA-N 1 2 358.486 1.925 20 10 FDCDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348945 537402562 /nfs/dbraw/zinc/40/25/62/537402562.db2.gz IFKLZVFOEFKHGJ-JXFKEZNVSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348945 537402570 /nfs/dbraw/zinc/40/25/70/537402570.db2.gz IFKLZVFOEFKHGJ-JXFKEZNVSA-N 1 2 361.486 1.591 20 10 FDCDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCN3C)CCN1C ZINC000372535018 537971264 /nfs/dbraw/zinc/97/12/64/537971264.db2.gz RVROYVHCYVZGIT-SFHVURJKSA-N 1 2 368.485 1.611 20 10 FDCDLO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2SC(=N)NC2=O)[NH+](C)C)cc1 ZINC000891255263 774168195 /nfs/dbraw/zinc/16/81/95/774168195.db2.gz OBHHLQYUEASZTM-KGLIPLIRSA-N 1 2 363.487 1.028 20 10 FDCDLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(N(C)C)[nH+]1 ZINC000785298929 804861964 /nfs/dbraw/zinc/86/19/64/804861964.db2.gz XRQAQCXRCHOEMQ-LBPRGKRZSA-N 1 2 372.425 1.553 20 10 FDCDLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000897052981 826831814 /nfs/dbraw/zinc/83/18/14/826831814.db2.gz PHXRTRGPIIPPEO-QMMMGPOBSA-N 1 2 367.240 1.404 20 10 FDCDLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000897052981 826831828 /nfs/dbraw/zinc/83/18/28/826831828.db2.gz PHXRTRGPIIPPEO-QMMMGPOBSA-N 1 2 367.240 1.404 20 10 FDCDLO NC(=O)CN1C(=O)/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783694081 831299309 /nfs/dbraw/zinc/29/93/09/831299309.db2.gz WNHXVWIHXRBJLI-WMZJFQQLSA-N 1 2 350.450 1.620 20 10 FDCDLO COc1ccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)c(O)c1 ZINC000924777331 847716603 /nfs/dbraw/zinc/71/66/03/847716603.db2.gz QIVXQELWWFJAOV-UHFFFAOYSA-N 1 2 350.444 1.918 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@H](O)CNCc3cncc(O)c3)CC2)cc1 ZINC000905630863 852101478 /nfs/dbraw/zinc/10/14/78/852101478.db2.gz MDBYJBZEQPEYON-LJQANCHMSA-N 1 2 372.469 1.069 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(Cc3ncon3)nn2)cc1 ZINC000906315908 852786012 /nfs/dbraw/zinc/78/60/12/852786012.db2.gz HIXXVQPDBQJFBC-UHFFFAOYSA-N 1 2 357.418 1.286 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(Cc3ncon3)nn2)cc1 ZINC000906315908 852786018 /nfs/dbraw/zinc/78/60/18/852786018.db2.gz HIXXVQPDBQJFBC-UHFFFAOYSA-N 1 2 357.418 1.286 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NCC[N@@H+]3CCOC(C)(C)C3)ccc21 ZINC000171211419 865145178 /nfs/dbraw/zinc/14/51/78/865145178.db2.gz MNRTWUBHUWROIR-UHFFFAOYSA-N 1 2 360.502 1.979 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NCC[N@H+]3CCOC(C)(C)C3)ccc21 ZINC000171211419 865145192 /nfs/dbraw/zinc/14/51/92/865145192.db2.gz MNRTWUBHUWROIR-UHFFFAOYSA-N 1 2 360.502 1.979 20 10 FDCDLO Cn1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000763284487 880334341 /nfs/dbraw/zinc/33/43/41/880334341.db2.gz VRPOUIXDUQTFAQ-KAMYIIQDSA-N 1 2 351.497 1.949 20 10 FDCDLO COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)[NH+](C)C)n3)CC2)cc1 ZINC000923993419 887555563 /nfs/dbraw/zinc/55/55/63/887555563.db2.gz FBHUWMZHAOWFDW-CQSZACIVSA-N 1 2 373.457 1.592 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2O)cc1 ZINC001078259217 898551498 /nfs/dbraw/zinc/55/14/98/898551498.db2.gz AAWYZFRKBGTCRW-HZPDHXFCSA-N 1 2 368.397 1.219 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)cc1 ZINC001078259217 898551502 /nfs/dbraw/zinc/55/15/02/898551502.db2.gz AAWYZFRKBGTCRW-HZPDHXFCSA-N 1 2 368.397 1.219 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000785433230 906618472 /nfs/dbraw/zinc/61/84/72/906618472.db2.gz KOCCXKLEWBYCGU-IBGZPJMESA-N 1 2 366.465 1.672 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000785433230 906618482 /nfs/dbraw/zinc/61/84/82/906618482.db2.gz KOCCXKLEWBYCGU-IBGZPJMESA-N 1 2 366.465 1.672 20 10 FDCDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000765479415 907248999 /nfs/dbraw/zinc/24/89/99/907248999.db2.gz NSZQVPCRONAACO-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000765479415 907249017 /nfs/dbraw/zinc/24/90/17/907249017.db2.gz NSZQVPCRONAACO-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000785434543 907506580 /nfs/dbraw/zinc/50/65/80/907506580.db2.gz UTFDBKNQZNIHBX-INIZCTEOSA-N 1 2 369.469 1.509 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(OC)ccn3)CC2)cc1 ZINC000734811986 923726158 /nfs/dbraw/zinc/72/61/58/923726158.db2.gz LHXHVHBALISFAT-UHFFFAOYSA-N 1 2 370.453 1.651 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000789767271 933169669 /nfs/dbraw/zinc/16/96/69/933169669.db2.gz AOMQIDPQIFYDMM-HNNXBMFYSA-N 1 2 368.231 1.637 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000789767271 933169674 /nfs/dbraw/zinc/16/96/74/933169674.db2.gz AOMQIDPQIFYDMM-HNNXBMFYSA-N 1 2 368.231 1.637 20 10 FDCDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805101758 938661516 /nfs/dbraw/zinc/66/15/16/938661516.db2.gz DPTXKKSTZHDFEE-LBPRGKRZSA-N 1 2 361.273 1.744 20 10 FDCDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805101758 938661517 /nfs/dbraw/zinc/66/15/17/938661517.db2.gz DPTXKKSTZHDFEE-LBPRGKRZSA-N 1 2 361.273 1.744 20 10 FDCDLO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(F)cc(F)c1O ZINC000806170837 938898708 /nfs/dbraw/zinc/89/87/08/938898708.db2.gz HVLLEOOCFLZTKF-CMPLNLGQSA-N 1 2 363.430 1.592 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N(C)C)cc1 ZINC000807674296 940451536 /nfs/dbraw/zinc/45/15/36/940451536.db2.gz JRNYYGMWWSQFQK-UKRRQHHQSA-N 1 2 355.442 1.258 20 10 FDCDLO COc1ccc(N2CC[C@H](CN3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)C2)cc1 ZINC000819176599 943462231 /nfs/dbraw/zinc/46/22/31/943462231.db2.gz KXBDOOORMVPCJC-GUYCJALGSA-N 1 2 369.425 1.408 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000774125586 961739206 /nfs/dbraw/zinc/73/92/06/961739206.db2.gz DFUIPAXMAOQZHR-UHFFFAOYSA-N 1 2 351.410 1.997 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)C2)cc1OC ZINC000853652582 968226301 /nfs/dbraw/zinc/22/63/01/968226301.db2.gz PSRXMXKKZKPFQT-ZDUSSCGKSA-N 1 2 351.403 1.913 20 10 FDCDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CO1 ZINC000853776648 968307313 /nfs/dbraw/zinc/30/73/13/968307313.db2.gz TWUPJITYTSWLMH-DLBZAZTESA-N 1 2 358.486 1.971 20 10 FDCDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CO1 ZINC000853776648 968307324 /nfs/dbraw/zinc/30/73/24/968307324.db2.gz TWUPJITYTSWLMH-DLBZAZTESA-N 1 2 358.486 1.971 20 10 FDCDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848652740 976978756 /nfs/dbraw/zinc/97/87/56/976978756.db2.gz BVKYNZKPDDKALA-CYBMUJFWSA-N 1 2 356.430 1.381 20 10 FDCDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848652740 976978763 /nfs/dbraw/zinc/97/87/63/976978763.db2.gz BVKYNZKPDDKALA-CYBMUJFWSA-N 1 2 356.430 1.381 20 10 FDCDLO Cc1n[nH]c(SCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881851528 980213659 /nfs/dbraw/zinc/21/36/59/980213659.db2.gz VUQGINHEAKZPFR-UHFFFAOYSA-N 1 2 360.487 1.273 20 10 FDCDLO CCN(CC)c1ccc(CNS(=O)(=O)CCn2cc[nH+]c2)cc1F ZINC000881873773 980241139 /nfs/dbraw/zinc/24/11/39/980241139.db2.gz LFLLLSLHMVAKCC-UHFFFAOYSA-N 1 2 354.451 1.988 20 10 FDCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc3n2CCNC3=O)c1 ZINC000883294692 982051619 /nfs/dbraw/zinc/05/16/19/982051619.db2.gz HPRKKYQPMNNUIP-UHFFFAOYSA-N 1 2 366.219 1.088 20 10 FDCDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(F)c(N(C)C)cc3F)CCN2C1=O ZINC000862251665 984284205 /nfs/dbraw/zinc/28/42/05/984284205.db2.gz KPXDGTQGQSVLMV-HNNXBMFYSA-N 1 2 352.385 1.499 20 10 FDCDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(F)c(N(C)C)cc3F)CCN2C1=O ZINC000862251665 984284218 /nfs/dbraw/zinc/28/42/18/984284218.db2.gz KPXDGTQGQSVLMV-HNNXBMFYSA-N 1 2 352.385 1.499 20 10 FDCDLO Fc1cc(C[NH+]2CCN(c3nccnn3)CC2)ccc1N1CCOCC1 ZINC000862438066 984390880 /nfs/dbraw/zinc/39/08/80/984390880.db2.gz WSOAGIZFCZJJQX-UHFFFAOYSA-N 1 2 358.421 1.170 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366132589 988449848 /nfs/dbraw/zinc/44/98/48/988449848.db2.gz GIWISMKGXGEFPW-IBGZPJMESA-N 1 2 374.485 1.186 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366132589 988449863 /nfs/dbraw/zinc/44/98/63/988449863.db2.gz GIWISMKGXGEFPW-IBGZPJMESA-N 1 2 374.485 1.186 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000367909643 988973711 /nfs/dbraw/zinc/97/37/11/988973711.db2.gz XRGCQMNBMXTGGK-MEDHRJKHSA-N 1 2 362.426 1.109 20 10 FDCDLO CN1CCN(c2cc(N3CC=C(c4cccnc4)CC3)[nH+]cn2)CC1=O ZINC000365038251 989977142 /nfs/dbraw/zinc/97/71/42/989977142.db2.gz CMAMFZFCDHEGRF-UHFFFAOYSA-N 1 2 350.426 1.444 20 10 FDCDLO CN1CCN(c2cc(N3CC=C(c4cccnc4)CC3)nc[nH+]2)CC1=O ZINC000365038251 989977143 /nfs/dbraw/zinc/97/71/43/989977143.db2.gz CMAMFZFCDHEGRF-UHFFFAOYSA-N 1 2 350.426 1.444 20 10 FDCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437186 990113274 /nfs/dbraw/zinc/11/32/74/990113274.db2.gz GSWWUOSRIKTKHG-SUMDDJOVSA-N 1 2 359.470 1.642 20 10 FDCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437186 990113280 /nfs/dbraw/zinc/11/32/80/990113280.db2.gz GSWWUOSRIKTKHG-SUMDDJOVSA-N 1 2 359.470 1.642 20 10 FDCDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC000877712192 993462856 /nfs/dbraw/zinc/46/28/56/993462856.db2.gz HCLGRDLIKHBWOI-KRWDZBQOSA-N 1 2 353.369 1.925 20 10 FDCDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC000877712192 993462864 /nfs/dbraw/zinc/46/28/64/993462864.db2.gz HCLGRDLIKHBWOI-KRWDZBQOSA-N 1 2 353.369 1.925 20 10 FDCDLO COc1ccc(N2CC[NH+](CCN3C[C@@H](C)O[C@H](C)C3)CC2)c(OC)c1 ZINC000879463495 994928553 /nfs/dbraw/zinc/92/85/53/994928553.db2.gz YNHAMOLMAIGBBY-IAGOWNOFSA-N 1 2 363.502 1.935 20 10 FDCDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000269615907 674110708 /nfs/dbraw/zinc/11/07/08/674110708.db2.gz MBHSLYAZRJYTMK-MRXNPFEDSA-N 1 2 365.499 1.349 20 10 FDCDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000269615907 674110709 /nfs/dbraw/zinc/11/07/09/674110709.db2.gz MBHSLYAZRJYTMK-MRXNPFEDSA-N 1 2 365.499 1.349 20 10 FDCDLO CCCCN(C(=O)C[N@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000111236485 524233151 /nfs/dbraw/zinc/23/31/51/524233151.db2.gz UZICEYUYEWDGIH-INIZCTEOSA-N 1 2 368.499 1.640 20 10 FDCDLO CCCCN(C(=O)C[N@@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000111236485 524233157 /nfs/dbraw/zinc/23/31/57/524233157.db2.gz UZICEYUYEWDGIH-INIZCTEOSA-N 1 2 368.499 1.640 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1F ZINC000084867009 524333733 /nfs/dbraw/zinc/33/37/33/524333733.db2.gz GEJGKICFSIWQRV-GOEBONIOSA-N 1 2 365.449 1.640 20 10 FDCDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122068099 524445290 /nfs/dbraw/zinc/44/52/90/524445290.db2.gz RNZKDSLRDKDYQK-UHFFFAOYSA-N 1 2 352.410 1.192 20 10 FDCDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000125079491 525134218 /nfs/dbraw/zinc/13/42/18/525134218.db2.gz GPKDESSPLSSREV-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO O=C(C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCC1 ZINC000119437729 525745118 /nfs/dbraw/zinc/74/51/18/525745118.db2.gz HGNNSMDVOZZLPP-UHFFFAOYSA-N 1 2 351.834 1.312 20 10 FDCDLO CCCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000109771451 526180883 /nfs/dbraw/zinc/18/08/83/526180883.db2.gz UJBRRSGXIORGFU-GDBMZVCRSA-N 1 2 368.499 1.638 20 10 FDCDLO CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000109771451 526180893 /nfs/dbraw/zinc/18/08/93/526180893.db2.gz UJBRRSGXIORGFU-GDBMZVCRSA-N 1 2 368.499 1.638 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278192379 537277417 /nfs/dbraw/zinc/27/74/17/537277417.db2.gz IEDLFBFVKDWJBO-GFCCVEGCSA-N 1 2 373.431 1.213 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278192379 537277422 /nfs/dbraw/zinc/27/74/22/537277422.db2.gz IEDLFBFVKDWJBO-GFCCVEGCSA-N 1 2 373.431 1.213 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000365813361 537587624 /nfs/dbraw/zinc/58/76/24/537587624.db2.gz FOVHBEMRUUENEB-UHFFFAOYSA-N 1 2 374.397 1.985 20 10 FDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000291471242 537604377 /nfs/dbraw/zinc/60/43/77/537604377.db2.gz DXQFOUGBBQQVLO-UHFFFAOYSA-N 1 2 368.286 1.717 20 10 FDCDLO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3O)C2=O)n1 ZINC000371945806 537834181 /nfs/dbraw/zinc/83/41/81/537834181.db2.gz BFIIGIHPUZUWPN-INIZCTEOSA-N 1 2 371.397 1.680 20 10 FDCDLO C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1[O-] ZINC000372616077 537990105 /nfs/dbraw/zinc/99/01/05/537990105.db2.gz DPTSSCVEYVZKKO-UONOGXRCSA-N 1 2 355.429 1.728 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3COCC[N@@H+]3C)ccc21 ZINC000628921350 557706655 /nfs/dbraw/zinc/70/66/55/557706655.db2.gz IECOYYNCQBMKTP-KRWDZBQOSA-N 1 2 359.470 1.965 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3COCC[N@H+]3C)ccc21 ZINC000628921350 557706657 /nfs/dbraw/zinc/70/66/57/557706657.db2.gz IECOYYNCQBMKTP-KRWDZBQOSA-N 1 2 359.470 1.965 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CCCCF)CC2)cc1 ZINC000286999046 675910979 /nfs/dbraw/zinc/91/09/79/675910979.db2.gz TZFPESHAIOUBSG-UHFFFAOYSA-N 1 2 373.494 1.486 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649983 677501210 /nfs/dbraw/zinc/50/12/10/677501210.db2.gz LYBVEAMKALSFTG-AWEZNQCLSA-N 1 2 357.376 1.400 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000194999725 796072823 /nfs/dbraw/zinc/07/28/23/796072823.db2.gz KWRBEXANGMDKQV-FQEVSTJZSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000194999725 796072830 /nfs/dbraw/zinc/07/28/30/796072830.db2.gz KWRBEXANGMDKQV-FQEVSTJZSA-N 1 2 373.497 1.987 20 10 FDCDLO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(OC)cc1 ZINC000728917425 809469747 /nfs/dbraw/zinc/46/97/47/809469747.db2.gz DGRSQTYLQBSTEW-UHFFFAOYSA-N 1 2 371.441 1.359 20 10 FDCDLO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(OC)cc1 ZINC000728917425 809469752 /nfs/dbraw/zinc/46/97/52/809469752.db2.gz DGRSQTYLQBSTEW-UHFFFAOYSA-N 1 2 371.441 1.359 20 10 FDCDLO CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)n1cc[nH+]c1 ZINC001168359136 843005558 /nfs/dbraw/zinc/00/55/58/843005558.db2.gz OHBSWGAWYMHANT-UHFFFAOYSA-N 1 2 352.416 1.125 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@@H](O)CNCc3cncc(O)c3)CC2)cc1 ZINC000905630859 852101241 /nfs/dbraw/zinc/10/12/41/852101241.db2.gz MDBYJBZEQPEYON-IBGZPJMESA-N 1 2 372.469 1.069 20 10 FDCDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910931635 857880946 /nfs/dbraw/zinc/88/09/46/857880946.db2.gz PMIYWZZCGLFKOI-GHMZBOCLSA-N 1 2 350.440 1.840 20 10 FDCDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910931635 857880949 /nfs/dbraw/zinc/88/09/49/857880949.db2.gz PMIYWZZCGLFKOI-GHMZBOCLSA-N 1 2 350.440 1.840 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)/C=C(\C)C[NH+]3CCOCC3)C2)cc1 ZINC000912293118 859566841 /nfs/dbraw/zinc/56/68/41/859566841.db2.gz RUZQMUNGFHAYGF-MAUBAPBLSA-N 1 2 359.470 1.669 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000912751276 860155270 /nfs/dbraw/zinc/15/52/70/860155270.db2.gz BSYVLAGMRDJRCZ-LJQANCHMSA-N 1 2 355.438 1.655 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000912751276 860155280 /nfs/dbraw/zinc/15/52/80/860155280.db2.gz BSYVLAGMRDJRCZ-LJQANCHMSA-N 1 2 355.438 1.655 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccnc3OC)CC2)cc1 ZINC000742921489 926215181 /nfs/dbraw/zinc/21/51/81/926215181.db2.gz SQECKGIYEVFLET-UHFFFAOYSA-N 1 2 370.453 1.651 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000789753617 933183255 /nfs/dbraw/zinc/18/32/55/933183255.db2.gz NFFCIOZEKSDMTH-HNNXBMFYSA-N 1 2 353.426 1.080 20 10 FDCDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000814177187 941568562 /nfs/dbraw/zinc/56/85/62/941568562.db2.gz XYXDXEBTGGNMFA-OAHLLOKOSA-N 1 2 356.463 1.529 20 10 FDCDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000814177187 941568565 /nfs/dbraw/zinc/56/85/65/941568565.db2.gz XYXDXEBTGGNMFA-OAHLLOKOSA-N 1 2 356.463 1.529 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000824983595 946921829 /nfs/dbraw/zinc/92/18/29/946921829.db2.gz ZGGLFLOBUVKTKC-INIZCTEOSA-N 1 2 370.427 1.710 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000824983595 946921831 /nfs/dbraw/zinc/92/18/31/946921831.db2.gz ZGGLFLOBUVKTKC-INIZCTEOSA-N 1 2 370.427 1.710 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000844401321 948028832 /nfs/dbraw/zinc/02/88/32/948028832.db2.gz LSSUFMNVOIHPLA-UHFFFAOYSA-N 1 2 356.430 1.646 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000844401321 948028842 /nfs/dbraw/zinc/02/88/42/948028842.db2.gz LSSUFMNVOIHPLA-UHFFFAOYSA-N 1 2 356.430 1.646 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000844400318 948029440 /nfs/dbraw/zinc/02/94/40/948029440.db2.gz ADUVMDYGAQORLA-ZDUSSCGKSA-N 1 2 359.478 1.658 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 ZINC000844400318 948029451 /nfs/dbraw/zinc/02/94/51/948029451.db2.gz ADUVMDYGAQORLA-ZDUSSCGKSA-N 1 2 359.478 1.658 20 10 FDCDLO CN(C)c1ccc(CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000774474654 962229411 /nfs/dbraw/zinc/22/94/11/962229411.db2.gz YZAIOYYIRDBCTP-UHFFFAOYSA-N 1 2 369.469 1.647 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N[C@H]3CCC[NH+](C)C3)cc12 ZINC001184361072 963541067 /nfs/dbraw/zinc/54/10/67/963541067.db2.gz CYRONJVIJBXYAP-HNNXBMFYSA-N 1 2 373.453 1.449 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N[C@H]3CCC[NH+](C)C3)cc12 ZINC001184361072 963541076 /nfs/dbraw/zinc/54/10/76/963541076.db2.gz CYRONJVIJBXYAP-HNNXBMFYSA-N 1 2 373.453 1.449 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[NH+](C)CC(=O)N[C@H]3CCC[N@H+](C)C3)cc12 ZINC001184361072 963541082 /nfs/dbraw/zinc/54/10/82/963541082.db2.gz CYRONJVIJBXYAP-HNNXBMFYSA-N 1 2 373.453 1.449 20 10 FDCDLO Cc1cc(=O)oc2cc([O-])c(C[NH+](C)CC(=O)N[C@H]3CCC[N@@H+](C)C3)cc12 ZINC001184361072 963541090 /nfs/dbraw/zinc/54/10/90/963541090.db2.gz CYRONJVIJBXYAP-HNNXBMFYSA-N 1 2 373.453 1.449 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[NH+]3CCOCC3)C2)cc1 ZINC000854302237 968749365 /nfs/dbraw/zinc/74/93/65/968749365.db2.gz XYEHEZUPTOYGFG-MRXNPFEDSA-N 1 2 362.474 1.248 20 10 FDCDLO Cc1cc[nH+]c(N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000120003846 973519431 /nfs/dbraw/zinc/51/94/31/973519431.db2.gz CPFGUEUIUYCBCD-UHFFFAOYSA-N 1 2 367.497 1.894 20 10 FDCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC001202426176 975300922 /nfs/dbraw/zinc/30/09/22/975300922.db2.gz GWZDIUWJLJDONC-NXEZZACHSA-N 1 2 367.037 1.767 20 10 FDCDLO O=C1CN(CCC[NH2+]Cc2cc(Br)cc(F)c2O)CCN1 ZINC000883152679 981983563 /nfs/dbraw/zinc/98/35/63/981983563.db2.gz DBKAFAMJITWUIG-UHFFFAOYSA-N 1 2 360.227 1.205 20 10 FDCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1F ZINC000883332954 982078040 /nfs/dbraw/zinc/07/80/40/982078040.db2.gz HLRKADGFILNZHZ-UHFFFAOYSA-N 1 2 358.421 1.703 20 10 FDCDLO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000862220036 984260840 /nfs/dbraw/zinc/26/08/40/984260840.db2.gz QYRRADKDKJLCBL-CYBMUJFWSA-N 1 2 361.458 1.935 20 10 FDCDLO CN(C)c1cc(F)c(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1F ZINC000862220036 984260853 /nfs/dbraw/zinc/26/08/53/984260853.db2.gz QYRRADKDKJLCBL-CYBMUJFWSA-N 1 2 361.458 1.935 20 10 FDCDLO COC1CCN(c2ccc(CN3CC[NH+](C(C)(C)C(N)=O)CC3)cc2)CC1 ZINC000294883062 988560509 /nfs/dbraw/zinc/56/05/09/988560509.db2.gz FQWLVBKKSQKCRI-UHFFFAOYSA-N 1 2 374.529 1.683 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3ccnc3C)cc2F)CC1 ZINC000297789253 989692413 /nfs/dbraw/zinc/69/24/13/989692413.db2.gz MBGCBGJHJPHSQD-UHFFFAOYSA-N 1 2 359.449 1.789 20 10 FDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000925586865 995670974 /nfs/dbraw/zinc/67/09/74/995670974.db2.gz UTZZQWNTPSCLGC-UONOGXRCSA-N 1 2 351.447 1.872 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOCC13CCCC3)cc2=O ZINC000270635631 999589944 /nfs/dbraw/zinc/58/99/44/999589944.db2.gz MFAVVMIQRGQOQY-UHFFFAOYSA-N 1 2 360.414 1.757 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOCC13CCCC3)cc2=O ZINC000270635631 999589949 /nfs/dbraw/zinc/58/99/49/999589949.db2.gz MFAVVMIQRGQOQY-UHFFFAOYSA-N 1 2 360.414 1.757 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000283448268 999754358 /nfs/dbraw/zinc/75/43/58/999754358.db2.gz KGOQYOYKVNUGNV-MRXNPFEDSA-N 1 2 367.453 1.159 20 10 FDCDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000779513368 1009666488 /nfs/dbraw/zinc/66/64/88/1009666488.db2.gz IEVZXKDGXFPDCD-RQOWECAXSA-N 1 2 358.398 1.278 20 10 FDCDLO Cc1noc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000053640824 523480744 /nfs/dbraw/zinc/48/07/44/523480744.db2.gz VBFLAYAHWBWHJY-UHFFFAOYSA-N 1 2 357.458 1.940 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000172193441 524154889 /nfs/dbraw/zinc/15/48/89/524154889.db2.gz CLSPKTHANYZNOM-GOSISDBHSA-N 1 2 358.486 1.454 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000172193441 524154893 /nfs/dbraw/zinc/15/48/93/524154893.db2.gz CLSPKTHANYZNOM-GOSISDBHSA-N 1 2 358.486 1.454 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3cnn(C)c3)CC2)cc1 ZINC000174912218 524794532 /nfs/dbraw/zinc/79/45/32/524794532.db2.gz WHVGFNSXNRYCPZ-UHFFFAOYSA-N 1 2 370.501 1.267 20 10 FDCDLO O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179562815 525601465 /nfs/dbraw/zinc/60/14/65/525601465.db2.gz YCRFXPUZWAFJEI-UHFFFAOYSA-N 1 2 372.450 1.775 20 10 FDCDLO CN1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)[nH+]cn2)CC1=O ZINC000185752345 536216690 /nfs/dbraw/zinc/21/66/90/536216690.db2.gz IPMNRRGXVIETAY-UHFFFAOYSA-N 1 2 366.469 1.967 20 10 FDCDLO CN1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)nc[nH+]2)CC1=O ZINC000185752345 536216691 /nfs/dbraw/zinc/21/66/91/536216691.db2.gz IPMNRRGXVIETAY-UHFFFAOYSA-N 1 2 366.469 1.967 20 10 FDCDLO COC(=O)Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000294591338 537707653 /nfs/dbraw/zinc/70/76/53/537707653.db2.gz SAGFRLQFZICPSG-INIZCTEOSA-N 1 2 360.414 1.338 20 10 FDCDLO COC(=O)Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000294591338 537707655 /nfs/dbraw/zinc/70/76/55/537707655.db2.gz SAGFRLQFZICPSG-INIZCTEOSA-N 1 2 360.414 1.338 20 10 FDCDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000154102704 671915105 /nfs/dbraw/zinc/91/51/05/671915105.db2.gz DAQHWYWBYBXJFM-NSHDSACASA-N 1 2 363.277 1.668 20 10 FDCDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000154102704 671915111 /nfs/dbraw/zinc/91/51/11/671915111.db2.gz DAQHWYWBYBXJFM-NSHDSACASA-N 1 2 363.277 1.668 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368604084 677500684 /nfs/dbraw/zinc/50/06/84/677500684.db2.gz SVYKVMIIVOHMDE-ROVVAWJSSA-N 1 2 364.467 1.435 20 10 FDCDLO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2SC(=N)NC2=O)[NH+](C)C)cc1 ZINC000891255265 774167928 /nfs/dbraw/zinc/16/79/28/774167928.db2.gz OBHHLQYUEASZTM-UONOGXRCSA-N 1 2 363.487 1.028 20 10 FDCDLO Nc1ccc(CCNC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000892038953 781321233 /nfs/dbraw/zinc/32/12/33/781321233.db2.gz LRTXLHFVCBPHSI-UHFFFAOYSA-N 1 2 354.458 1.171 20 10 FDCDLO CN(C)c1ccc(C[N@H+](C)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 ZINC000024980446 795602972 /nfs/dbraw/zinc/60/29/72/795602972.db2.gz WKVQZFGUCKFZMU-UHFFFAOYSA-N 1 2 358.442 1.875 20 10 FDCDLO CN(C)c1ccc(C[N@@H+](C)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 ZINC000024980446 795602985 /nfs/dbraw/zinc/60/29/85/795602985.db2.gz WKVQZFGUCKFZMU-UHFFFAOYSA-N 1 2 358.442 1.875 20 10 FDCDLO Nc1ccc(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000237908432 809528954 /nfs/dbraw/zinc/52/89/54/809528954.db2.gz ODAXGNFDOQNHGQ-UHFFFAOYSA-N 1 2 369.465 1.839 20 10 FDCDLO Cc1cc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)n2ncnc2n1 ZINC000893939254 809822696 /nfs/dbraw/zinc/82/26/96/809822696.db2.gz CKPKSWLCBNAIHM-UHFFFAOYSA-N 1 2 360.368 1.739 20 10 FDCDLO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC000894596367 818237432 /nfs/dbraw/zinc/23/74/32/818237432.db2.gz XBWMRPDELRZZLO-AWEZNQCLSA-N 1 2 372.194 1.468 20 10 FDCDLO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(Br)cc(F)c3O)C2)N1 ZINC000894596367 818237440 /nfs/dbraw/zinc/23/74/40/818237440.db2.gz XBWMRPDELRZZLO-AWEZNQCLSA-N 1 2 372.194 1.468 20 10 FDCDLO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1C ZINC000894979341 819430925 /nfs/dbraw/zinc/43/09/25/819430925.db2.gz XVSTWJMEYXFQRK-UHFFFAOYSA-N 1 2 350.444 1.239 20 10 FDCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088047 820181031 /nfs/dbraw/zinc/18/10/31/820181031.db2.gz GTAXAGRONZCXJW-ONGXEEELSA-N 1 2 362.195 1.650 20 10 FDCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895088047 820181038 /nfs/dbraw/zinc/18/10/38/820181038.db2.gz GTAXAGRONZCXJW-ONGXEEELSA-N 1 2 362.195 1.650 20 10 FDCDLO COc1ccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)c(O)c1 ZINC000907926742 854815580 /nfs/dbraw/zinc/81/55/80/854815580.db2.gz PEJPSBUMAUIDLG-UHFFFAOYSA-N 1 2 359.426 1.465 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3nn4c(nc(C)cc4=O)s3)CC2)cc1 ZINC000170748747 864915350 /nfs/dbraw/zinc/91/53/50/864915350.db2.gz OCNDDJDPVVQYRK-UHFFFAOYSA-N 1 2 371.466 1.790 20 10 FDCDLO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1[NH3+] ZINC001236347654 888169043 /nfs/dbraw/zinc/16/90/43/888169043.db2.gz LEVWPHXFSXALDR-ONGXEEELSA-N 1 2 363.639 1.740 20 10 FDCDLO C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000764798292 905699217 /nfs/dbraw/zinc/69/92/17/905699217.db2.gz CAAVCSDCPPSNSN-ZWNOBZJWSA-N 1 2 372.263 1.673 20 10 FDCDLO C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000764798292 905699228 /nfs/dbraw/zinc/69/92/28/905699228.db2.gz CAAVCSDCPPSNSN-ZWNOBZJWSA-N 1 2 372.263 1.673 20 10 FDCDLO C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000764798289 905699313 /nfs/dbraw/zinc/69/93/13/905699313.db2.gz CAAVCSDCPPSNSN-MFKMUULPSA-N 1 2 372.263 1.673 20 10 FDCDLO C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000764798289 905699328 /nfs/dbraw/zinc/69/93/28/905699328.db2.gz CAAVCSDCPPSNSN-MFKMUULPSA-N 1 2 372.263 1.673 20 10 FDCDLO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001081026167 906981721 /nfs/dbraw/zinc/98/17/21/906981721.db2.gz QQVJCQJBVURCSI-IAQYHMDHSA-N 1 2 370.417 1.228 20 10 FDCDLO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001081026167 906981731 /nfs/dbraw/zinc/98/17/31/906981731.db2.gz QQVJCQJBVURCSI-IAQYHMDHSA-N 1 2 370.417 1.228 20 10 FDCDLO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC001168801455 928108441 /nfs/dbraw/zinc/10/84/41/928108441.db2.gz PDRBFMRYRGYMTJ-ZIAGYGMSSA-N 1 2 371.489 1.768 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169902104 928955420 /nfs/dbraw/zinc/95/54/20/928955420.db2.gz HGFCGEFHIIPLPP-KBPBESRZSA-N 1 2 351.399 1.457 20 10 FDCDLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000785572933 931514762 /nfs/dbraw/zinc/51/47/62/931514762.db2.gz SSRQYCXZGHKYLV-UHFFFAOYSA-N 1 2 361.467 1.612 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000817848984 943013242 /nfs/dbraw/zinc/01/32/42/943013242.db2.gz HWQARLWCAJVTAD-HNNXBMFYSA-N 1 2 371.485 1.201 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000824913608 946856449 /nfs/dbraw/zinc/85/64/49/946856449.db2.gz CIEUXRJONDONHV-GFCCVEGCSA-N 1 2 358.416 1.708 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000824913608 946856454 /nfs/dbraw/zinc/85/64/54/946856454.db2.gz CIEUXRJONDONHV-GFCCVEGCSA-N 1 2 358.416 1.708 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000844725577 948333124 /nfs/dbraw/zinc/33/31/24/948333124.db2.gz NMHHXJHUUNALPG-QGZVFWFLSA-N 1 2 362.474 1.987 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000844725577 948333131 /nfs/dbraw/zinc/33/31/31/948333131.db2.gz NMHHXJHUUNALPG-QGZVFWFLSA-N 1 2 362.474 1.987 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12 ZINC001184363505 963543287 /nfs/dbraw/zinc/54/32/87/963543287.db2.gz RDXGSODNCUYOHO-GUYCJALGSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12 ZINC001184363505 963543291 /nfs/dbraw/zinc/54/32/91/963543291.db2.gz RDXGSODNCUYOHO-GUYCJALGSA-N 1 2 374.437 1.923 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000852447995 967322623 /nfs/dbraw/zinc/32/26/23/967322623.db2.gz AGGDANAXRRHNFG-AEFFLSMTSA-N 1 2 374.485 1.390 20 10 FDCDLO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000866457751 975673530 /nfs/dbraw/zinc/67/35/30/975673530.db2.gz UEQGXQNCFVHAOH-MRVPVSSYSA-N 1 2 369.256 1.884 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cncc3C)cc2F)CC1 ZINC000859261734 982655789 /nfs/dbraw/zinc/65/57/89/982655789.db2.gz RJGVFZHSUKQPQO-UHFFFAOYSA-N 1 2 359.449 1.789 20 10 FDCDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000884693540 984699879 /nfs/dbraw/zinc/69/98/79/984699879.db2.gz DDOXNZHXZOWSKG-GOSISDBHSA-N 1 2 352.438 1.230 20 10 FDCDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000884693540 984699882 /nfs/dbraw/zinc/69/98/82/984699882.db2.gz DDOXNZHXZOWSKG-GOSISDBHSA-N 1 2 352.438 1.230 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCO[C@@H](C(F)F)CC1)cc2=O ZINC000872272144 987563864 /nfs/dbraw/zinc/56/38/64/987563864.db2.gz ZQUUDKKCKIFFCJ-GFCCVEGCSA-N 1 2 370.356 1.468 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCO[C@@H](C(F)F)CC1)cc2=O ZINC000872272144 987563872 /nfs/dbraw/zinc/56/38/72/987563872.db2.gz ZQUUDKKCKIFFCJ-GFCCVEGCSA-N 1 2 370.356 1.468 20 10 FDCDLO C[C@@H](CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+]1CCOCC1 ZINC000364615306 989679000 /nfs/dbraw/zinc/67/90/00/989679000.db2.gz WJWFQQNXKLUJRM-INIZCTEOSA-N 1 2 358.486 1.882 20 10 FDCDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000373498463 992250431 /nfs/dbraw/zinc/25/04/31/992250431.db2.gz ZDILOIVTRIPTLX-DLBZAZTESA-N 1 2 358.442 1.777 20 10 FDCDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000373498463 992250444 /nfs/dbraw/zinc/25/04/44/992250444.db2.gz ZDILOIVTRIPTLX-DLBZAZTESA-N 1 2 358.442 1.777 20 10 FDCDLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876551217 992700465 /nfs/dbraw/zinc/70/04/65/992700465.db2.gz NCJOSMZQMVBNGV-FQEVSTJZSA-N 1 2 371.485 1.926 20 10 FDCDLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000876551217 992700471 /nfs/dbraw/zinc/70/04/71/992700471.db2.gz NCJOSMZQMVBNGV-FQEVSTJZSA-N 1 2 371.485 1.926 20 10 FDCDLO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000877147807 993071156 /nfs/dbraw/zinc/07/11/56/993071156.db2.gz AKAGJUSAZGQJNL-CYBMUJFWSA-N 1 2 351.275 1.944 20 10 FDCDLO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2O)CC1 ZINC001598617323 993912744 /nfs/dbraw/zinc/91/27/44/993912744.db2.gz RLGUKUSRFGCDSG-UHFFFAOYSA-N 1 2 359.829 1.319 20 10 FDCDLO C[NH+]1CCN(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2O)CC1 ZINC001598617323 993912749 /nfs/dbraw/zinc/91/27/49/993912749.db2.gz RLGUKUSRFGCDSG-UHFFFAOYSA-N 1 2 359.829 1.319 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)c(OC)c1 ZINC000879461640 994927954 /nfs/dbraw/zinc/92/79/54/994927954.db2.gz DHABTAWSFVVJHC-OAHLLOKOSA-N 1 2 368.499 1.651 20 10 FDCDLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283211538 999745447 /nfs/dbraw/zinc/74/54/47/999745447.db2.gz JAVUKVRAIPULRJ-UHFFFAOYSA-N 1 2 355.442 1.306 20 10 FDCDLO O=C(CN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)N1CCCCC1 ZINC000028791859 519250536 /nfs/dbraw/zinc/25/05/36/519250536.db2.gz HRDGOZYKNCUSFG-UHFFFAOYSA-N 1 2 361.442 1.251 20 10 FDCDLO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000073915564 522633865 /nfs/dbraw/zinc/63/38/65/522633865.db2.gz NICDQXHXAFIGQU-MRXNPFEDSA-N 1 2 364.465 1.898 20 10 FDCDLO CN(C)c1nc(N)nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000083171138 524242317 /nfs/dbraw/zinc/24/23/17/524242317.db2.gz BNYLXLDNAAJMNS-CQSZACIVSA-N 1 2 358.446 1.407 20 10 FDCDLO CN(C)c1nc(N)nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000083171138 524242325 /nfs/dbraw/zinc/24/23/25/524242325.db2.gz BNYLXLDNAAJMNS-CQSZACIVSA-N 1 2 358.446 1.407 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121438063 524258701 /nfs/dbraw/zinc/25/87/01/524258701.db2.gz HWHWQBHYFPLZSB-UHFFFAOYSA-N 1 2 358.486 1.313 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121438063 524258709 /nfs/dbraw/zinc/25/87/09/524258709.db2.gz HWHWQBHYFPLZSB-UHFFFAOYSA-N 1 2 358.486 1.313 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1F ZINC000084867007 524333542 /nfs/dbraw/zinc/33/35/42/524333542.db2.gz GEJGKICFSIWQRV-ZBFHGGJFSA-N 1 2 365.449 1.640 20 10 FDCDLO CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCOCC1 ZINC000124758906 525069940 /nfs/dbraw/zinc/06/99/40/525069940.db2.gz GJMQCQROVQPNEG-UHFFFAOYSA-N 1 2 358.486 1.973 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1F ZINC000119388114 525728554 /nfs/dbraw/zinc/72/85/54/525728554.db2.gz LLDIHBFOBHSLOG-CQSZACIVSA-N 1 2 358.417 1.942 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)cc1F ZINC000364945962 537401045 /nfs/dbraw/zinc/40/10/45/537401045.db2.gz FYWLKBRHJSTCCG-AWEZNQCLSA-N 1 2 358.417 1.942 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1conc1CC)cc2=O ZINC000293432659 537455208 /nfs/dbraw/zinc/45/52/08/537455208.db2.gz NYHKFBYOGQOYOW-UHFFFAOYSA-N 1 2 359.386 1.794 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1conc1CC)cc2=O ZINC000293432659 537455218 /nfs/dbraw/zinc/45/52/18/537455218.db2.gz NYHKFBYOGQOYOW-UHFFFAOYSA-N 1 2 359.386 1.794 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000299242744 537504522 /nfs/dbraw/zinc/50/45/22/537504522.db2.gz KDPWBCMDXDNIPB-HOCLYGCPSA-N 1 2 359.392 1.756 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000299242744 537504528 /nfs/dbraw/zinc/50/45/28/537504528.db2.gz KDPWBCMDXDNIPB-HOCLYGCPSA-N 1 2 359.392 1.756 20 10 FDCDLO O=C(C[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1)N1CCCC1 ZINC000294998648 537709782 /nfs/dbraw/zinc/70/97/82/537709782.db2.gz UPAUCEBIPRSVHL-UHFFFAOYSA-N 1 2 355.841 1.925 20 10 FDCDLO CN(C)c1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000368225681 537977008 /nfs/dbraw/zinc/97/70/08/537977008.db2.gz MCNAVOUPHVIQPY-UHFFFAOYSA-N 1 2 358.483 1.206 20 10 FDCDLO CN(C)c1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000368225681 537977016 /nfs/dbraw/zinc/97/70/16/537977016.db2.gz MCNAVOUPHVIQPY-UHFFFAOYSA-N 1 2 358.483 1.206 20 10 FDCDLO C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818803 605994367 /nfs/dbraw/zinc/99/43/67/605994367.db2.gz MIFNFUOEBJSHBC-YJBOKZPZSA-N 1 2 362.474 1.295 20 10 FDCDLO C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000833818803 605994369 /nfs/dbraw/zinc/99/43/69/605994369.db2.gz MIFNFUOEBJSHBC-YJBOKZPZSA-N 1 2 362.474 1.295 20 10 FDCDLO CCN(C)C(=O)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273618937 674555131 /nfs/dbraw/zinc/55/51/31/674555131.db2.gz QCJNAHUDNADQIA-UHFFFAOYSA-N 1 2 351.447 1.313 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc(Br)c1O ZINC000278366745 675127622 /nfs/dbraw/zinc/12/76/22/675127622.db2.gz MCUZOYNFUKVJQV-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000274790239 770205816 /nfs/dbraw/zinc/20/58/16/770205816.db2.gz MXAVZINCIUACPS-ZDUSSCGKSA-N 1 2 366.414 1.846 20 10 FDCDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000274790239 770205819 /nfs/dbraw/zinc/20/58/19/770205819.db2.gz MXAVZINCIUACPS-ZDUSSCGKSA-N 1 2 366.414 1.846 20 10 FDCDLO O=C(c1cccc(O)c1O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000274996209 771023348 /nfs/dbraw/zinc/02/33/48/771023348.db2.gz NLMGEJKRDMPOIS-UHFFFAOYSA-N 1 2 371.437 1.858 20 10 FDCDLO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(O)c1OC ZINC000891480606 778106063 /nfs/dbraw/zinc/10/60/63/778106063.db2.gz BYNJLHJAOMJTDF-HNNXBMFYSA-N 1 2 350.415 1.233 20 10 FDCDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000377214330 791271961 /nfs/dbraw/zinc/27/19/61/791271961.db2.gz LYTHSWRQYLVOPR-JXFKEZNVSA-N 1 2 361.486 1.639 20 10 FDCDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000377214330 791271969 /nfs/dbraw/zinc/27/19/69/791271969.db2.gz LYTHSWRQYLVOPR-JXFKEZNVSA-N 1 2 361.486 1.639 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000280620805 811872901 /nfs/dbraw/zinc/87/29/01/811872901.db2.gz WOFPUQSDLGNJJN-OXQOHEQNSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000280620805 811872912 /nfs/dbraw/zinc/87/29/12/811872912.db2.gz WOFPUQSDLGNJJN-OXQOHEQNSA-N 1 2 361.486 1.591 20 10 FDCDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000703130776 884473340 /nfs/dbraw/zinc/47/33/40/884473340.db2.gz AEZALSRZGVDUJW-GFCCVEGCSA-N 1 2 363.277 1.668 20 10 FDCDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000703130776 884473350 /nfs/dbraw/zinc/47/33/50/884473350.db2.gz AEZALSRZGVDUJW-GFCCVEGCSA-N 1 2 363.277 1.668 20 10 FDCDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2c(O)cccc2F)C1 ZINC000921450957 888014789 /nfs/dbraw/zinc/01/47/89/888014789.db2.gz HZEBWFMTIBIUPE-UHFFFAOYSA-N 1 2 350.415 1.998 20 10 FDCDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2c(O)cccc2F)C1 ZINC000921450957 888014802 /nfs/dbraw/zinc/01/48/02/888014802.db2.gz HZEBWFMTIBIUPE-UHFFFAOYSA-N 1 2 350.415 1.998 20 10 FDCDLO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000785429245 905160033 /nfs/dbraw/zinc/16/00/33/905160033.db2.gz XTGCHBMZSAVPCK-MAUKXSAKSA-N 1 2 369.469 1.675 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000785434892 907391247 /nfs/dbraw/zinc/39/12/47/907391247.db2.gz WOIYCJOHIPXKDD-HNNXBMFYSA-N 1 2 355.442 1.118 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731761517 918593804 /nfs/dbraw/zinc/59/38/04/918593804.db2.gz PTSPRIBWVJAHKZ-UHFFFAOYSA-N 1 2 369.487 1.043 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000788911465 932876235 /nfs/dbraw/zinc/87/62/35/932876235.db2.gz NYVSTJJILSDAKR-INIZCTEOSA-N 1 2 367.453 1.231 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000788965393 932892137 /nfs/dbraw/zinc/89/21/37/932892137.db2.gz GQCBSOFGRRJWCY-UHFFFAOYSA-N 1 2 358.486 1.456 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000789753618 933182473 /nfs/dbraw/zinc/18/24/73/933182473.db2.gz NFFCIOZEKSDMTH-OAHLLOKOSA-N 1 2 353.426 1.080 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000819697666 943695697 /nfs/dbraw/zinc/69/56/97/943695697.db2.gz YUMMBQOSSVAJEF-AWEZNQCLSA-N 1 2 357.410 1.743 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)N3CCn4c[nH+]cc4C3)C2)cc1 ZINC000824685267 946682638 /nfs/dbraw/zinc/68/26/38/946682638.db2.gz CFWNMISQDKCJCW-HNNXBMFYSA-N 1 2 355.442 1.943 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000845126930 948711613 /nfs/dbraw/zinc/71/16/13/948711613.db2.gz FTTVAABUQAKEJW-HNNXBMFYSA-N 1 2 357.458 1.984 20 10 FDCDLO COc1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(OC)c1 ZINC000846745917 951554898 /nfs/dbraw/zinc/55/48/98/951554898.db2.gz UREMRTRASDSSGX-UHFFFAOYSA-N 1 2 354.414 1.707 20 10 FDCDLO Cc1cn2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000774079820 961674344 /nfs/dbraw/zinc/67/43/44/961674344.db2.gz ZLXMBAFTUAYBKZ-UHFFFAOYSA-N 1 2 351.410 1.964 20 10 FDCDLO NC(=O)C1CCN(c2ccc(CNC(=O)CCc3c[nH]c[nH+]3)cc2)CC1 ZINC001178039082 964084824 /nfs/dbraw/zinc/08/48/24/964084824.db2.gz LXIHDEUGIXBHCQ-UHFFFAOYSA-N 1 2 355.442 1.360 20 10 FDCDLO NC(=O)C1CCN(c2ccc(CNC(=O)CCc3c[nH+]c[nH]3)cc2)CC1 ZINC001178039082 964084835 /nfs/dbraw/zinc/08/48/35/964084835.db2.gz LXIHDEUGIXBHCQ-UHFFFAOYSA-N 1 2 355.442 1.360 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CCO[C@H](C)C3)C2)cc1 ZINC000853604397 968176886 /nfs/dbraw/zinc/17/68/86/968176886.db2.gz DDESADYRWCOFRD-CVEARBPZSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CCO[C@H](C)C3)C2)cc1 ZINC000853604397 968176896 /nfs/dbraw/zinc/17/68/96/968176896.db2.gz DDESADYRWCOFRD-CVEARBPZSA-N 1 2 362.474 1.294 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000854988193 970085740 /nfs/dbraw/zinc/08/57/40/970085740.db2.gz PZIKWMPYUIGFAX-OAHLLOKOSA-N 1 2 357.410 1.743 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000851961613 979226242 /nfs/dbraw/zinc/22/62/42/979226242.db2.gz YODRQNWXSZRUOU-JKSUJKDBSA-N 1 2 362.474 1.294 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881769893 980123929 /nfs/dbraw/zinc/12/39/29/980123929.db2.gz UYHQEALIZNPQOW-UHFFFAOYSA-N 1 2 364.471 1.182 20 10 FDCDLO O=S(=O)(CCn1cc[nH+]c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000881912694 980286513 /nfs/dbraw/zinc/28/65/13/980286513.db2.gz MMEGWQUOBQQZNG-INIZCTEOSA-N 1 2 365.455 1.600 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000883146133 981979071 /nfs/dbraw/zinc/97/90/71/981979071.db2.gz BOFDXVZJULWMDW-UHFFFAOYSA-N 1 2 352.225 1.961 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cn(C4CC4)nn3)CC2)cc1 ZINC000858839455 982323983 /nfs/dbraw/zinc/32/39/83/982323983.db2.gz FGVNIUPUKRDZQY-UHFFFAOYSA-N 1 2 370.457 1.174 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862505905 984401787 /nfs/dbraw/zinc/40/17/87/984401787.db2.gz YFIYQILOTCAFKH-UHFFFAOYSA-N 1 2 368.428 1.201 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862505905 984401791 /nfs/dbraw/zinc/40/17/91/984401791.db2.gz YFIYQILOTCAFKH-UHFFFAOYSA-N 1 2 368.428 1.201 20 10 FDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295407 984999238 /nfs/dbraw/zinc/99/92/38/984999238.db2.gz UMDVOUCMICJBMJ-UPHRSURJSA-N 1 2 359.470 1.152 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(F)nc3)CC2)cc1 ZINC000266826549 999241077 /nfs/dbraw/zinc/24/10/77/999241077.db2.gz JHRKZQHGDRBVOL-UHFFFAOYSA-N 1 2 358.417 1.781 20 10 FDCDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccccc1O ZINC000268969248 999459886 /nfs/dbraw/zinc/45/98/86/999459886.db2.gz MJQHXGPOGYCYDK-UHFFFAOYSA-N 1 2 368.437 1.532 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnnc3C)CC2)cc1 ZINC000269978200 999494887 /nfs/dbraw/zinc/49/48/87/999494887.db2.gz OAHLQTRDJJEBBF-UHFFFAOYSA-N 1 2 355.442 1.346 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnc(OC)n3)CC2)cc1 ZINC000930940740 1003685762 /nfs/dbraw/zinc/68/57/62/1003685762.db2.gz HTKRYMWJOGMDEM-UHFFFAOYSA-N 1 2 371.441 1.046 20 10 FDCDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000931948772 1004630700 /nfs/dbraw/zinc/63/07/00/1004630700.db2.gz KFSCYXQSEMEYPM-INIZCTEOSA-N 1 2 357.458 1.892 20 10 FDCDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)no1 ZINC000931948772 1004630703 /nfs/dbraw/zinc/63/07/03/1004630703.db2.gz KFSCYXQSEMEYPM-INIZCTEOSA-N 1 2 357.458 1.892 20 10 FDCDLO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000091931608 1006989448 /nfs/dbraw/zinc/98/94/48/1006989448.db2.gz PBUQPQIBGCOPIT-UHFFFAOYSA-N 1 2 358.486 1.456 20 10 FDCDLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000131588848 525876131 /nfs/dbraw/zinc/87/61/31/525876131.db2.gz ZFKCLZFQFPNCOW-HIFRSBDPSA-N 1 2 354.472 1.248 20 10 FDCDLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000131588848 525876135 /nfs/dbraw/zinc/87/61/35/525876135.db2.gz ZFKCLZFQFPNCOW-HIFRSBDPSA-N 1 2 354.472 1.248 20 10 FDCDLO CCCCn1c2nc(C[N@H+](C)Cc3ccccc3O)n(C)c2c(=O)[nH]c1=O ZINC000109772486 526184099 /nfs/dbraw/zinc/18/40/99/526184099.db2.gz MSQVODSQBXRPPN-UHFFFAOYSA-N 1 2 371.441 1.561 20 10 FDCDLO CCCCn1c2nc(C[N@@H+](C)Cc3ccccc3O)n(C)c2c(=O)[nH]c1=O ZINC000109772486 526184110 /nfs/dbraw/zinc/18/41/10/526184110.db2.gz MSQVODSQBXRPPN-UHFFFAOYSA-N 1 2 371.441 1.561 20 10 FDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000183440813 535981916 /nfs/dbraw/zinc/98/19/16/535981916.db2.gz VNMMOUZMGBMVMG-HNNXBMFYSA-N 1 2 370.453 1.362 20 10 FDCDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000189453161 537049094 /nfs/dbraw/zinc/04/90/94/537049094.db2.gz GTYUZUUILCRYNZ-OAHLLOKOSA-N 1 2 361.408 1.956 20 10 FDCDLO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000189453161 537049098 /nfs/dbraw/zinc/04/90/98/537049098.db2.gz GTYUZUUILCRYNZ-OAHLLOKOSA-N 1 2 361.408 1.956 20 10 FDCDLO CCCOc1ccc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000290314948 537321692 /nfs/dbraw/zinc/32/16/92/537321692.db2.gz CKMCQTWKXNMJQO-HNNXBMFYSA-N 1 2 357.472 1.817 20 10 FDCDLO CCCOc1ccc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000290314948 537321697 /nfs/dbraw/zinc/32/16/97/537321697.db2.gz CKMCQTWKXNMJQO-HNNXBMFYSA-N 1 2 357.472 1.817 20 10 FDCDLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)N1CCOCC1 ZINC000368019840 537973405 /nfs/dbraw/zinc/97/34/05/537973405.db2.gz KTLYCBGLAWAOTH-CQSZACIVSA-N 1 2 374.890 1.672 20 10 FDCDLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)N1CCOCC1 ZINC000368019840 537973420 /nfs/dbraw/zinc/97/34/20/537973420.db2.gz KTLYCBGLAWAOTH-CQSZACIVSA-N 1 2 374.890 1.672 20 10 FDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C3CC(=O)NC(=O)C3)CC2)cc1 ZINC000368892074 537991299 /nfs/dbraw/zinc/99/12/99/537991299.db2.gz NFHHTLJXDFNHIH-UHFFFAOYSA-N 1 2 359.426 1.175 20 10 FDCDLO Cc1cn2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2[nH+]1 ZINC000728606637 785007972 /nfs/dbraw/zinc/00/79/72/785007972.db2.gz YSUINRHKEULBGX-UHFFFAOYSA-N 1 2 360.395 1.972 20 10 FDCDLO COC(=O)/C(C)=C/C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759878824 795992080 /nfs/dbraw/zinc/99/20/80/795992080.db2.gz OBTHGTJNWMWBBC-MKMNVTDBSA-N 1 2 364.442 1.954 20 10 FDCDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(F)ccc(O)c1O ZINC000279104891 808359671 /nfs/dbraw/zinc/35/96/71/808359671.db2.gz BDZVGCQDGRRJRS-AWEZNQCLSA-N 1 2 360.385 1.868 20 10 FDCDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(F)ccc(O)c1O ZINC000279104891 808359681 /nfs/dbraw/zinc/35/96/81/808359681.db2.gz BDZVGCQDGRRJRS-AWEZNQCLSA-N 1 2 360.385 1.868 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@H]4CCC[C@H]43)CC2)cc1 ZINC000281130340 825895797 /nfs/dbraw/zinc/89/57/97/825895797.db2.gz OGGBMUSNHXLQET-MOPGFXCFSA-N 1 2 359.470 1.597 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@H]4CCC[C@H]43)CC2)cc1 ZINC000281130340 825895813 /nfs/dbraw/zinc/89/58/13/825895813.db2.gz OGGBMUSNHXLQET-MOPGFXCFSA-N 1 2 359.470 1.597 20 10 FDCDLO CCOC(=O)N1C[C@H]([NH2+]Cc2cccc(Br)c2O)[C@@H](CO)C1 ZINC000898358994 840996397 /nfs/dbraw/zinc/99/63/97/840996397.db2.gz LGVCXBYHTZHPCA-YPMHNXCESA-N 1 2 373.247 1.694 20 10 FDCDLO Cn1ccc(-n2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)nn2)n1 ZINC000906276762 852730048 /nfs/dbraw/zinc/73/00/48/852730048.db2.gz NKROSHABNXDBQV-QGZVFWFLSA-N 1 2 368.441 1.888 20 10 FDCDLO Cn1ccc(-n2cc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)nn2)n1 ZINC000906276762 852730050 /nfs/dbraw/zinc/73/00/50/852730050.db2.gz NKROSHABNXDBQV-QGZVFWFLSA-N 1 2 368.441 1.888 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3cn(-c4ccn(C)n4)nn3)CC2)cc1 ZINC000906258758 852740983 /nfs/dbraw/zinc/74/09/83/852740983.db2.gz WIXCQFSHCWDUHI-UHFFFAOYSA-N 1 2 367.457 1.722 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3cn(-c4ccn(C)n4)nn3)CC2)cc1 ZINC000906258758 852740993 /nfs/dbraw/zinc/74/09/93/852740993.db2.gz WIXCQFSHCWDUHI-UHFFFAOYSA-N 1 2 367.457 1.722 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOC(C)(C)[C@@H]3C)CC2)cc1 ZINC000763415250 881938266 /nfs/dbraw/zinc/93/82/66/881938266.db2.gz HDYKYZJMXNWBIG-INIZCTEOSA-N 1 2 361.486 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOC(C)(C)[C@@H]3C)CC2)cc1 ZINC000763415250 881938272 /nfs/dbraw/zinc/93/82/72/881938272.db2.gz HDYKYZJMXNWBIG-INIZCTEOSA-N 1 2 361.486 1.843 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000761511237 871389131 /nfs/dbraw/zinc/38/91/31/871389131.db2.gz NKTRXUWTJSDXMF-LLVKDONJSA-N 1 2 363.277 1.716 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000761511237 871389114 /nfs/dbraw/zinc/38/91/14/871389114.db2.gz NKTRXUWTJSDXMF-LLVKDONJSA-N 1 2 363.277 1.716 20 10 FDCDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000703514384 884637365 /nfs/dbraw/zinc/63/73/65/884637365.db2.gz JBOXAECKQLRHCY-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000703514384 884637369 /nfs/dbraw/zinc/63/73/69/884637369.db2.gz JBOXAECKQLRHCY-UHFFFAOYSA-N 1 2 363.277 1.622 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)cc1 ZINC001078253786 898534756 /nfs/dbraw/zinc/53/47/56/898534756.db2.gz QTKBWSULGQIBDY-UHLHJULCSA-N 1 2 351.794 1.376 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)cc1 ZINC001078253786 898534773 /nfs/dbraw/zinc/53/47/73/898534773.db2.gz QTKBWSULGQIBDY-UHLHJULCSA-N 1 2 351.794 1.376 20 10 FDCDLO C[C@H]1C[N@H+](CCNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000765479433 907248761 /nfs/dbraw/zinc/24/87/61/907248761.db2.gz NSZQVPCRONAACO-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000765479433 907248767 /nfs/dbraw/zinc/24/87/67/907248767.db2.gz NSZQVPCRONAACO-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO Cn1ncc2c1nc(C[N@H+](C)Cc1ccc(N3CCOCC3)cc1)[nH]c2=O ZINC000738299258 925153772 /nfs/dbraw/zinc/15/37/72/925153772.db2.gz KKIMHDNGSMFPPG-UHFFFAOYSA-N 1 2 368.441 1.538 20 10 FDCDLO Cn1ncc2c1nc(C[N@@H+](C)Cc1ccc(N3CCOCC3)cc1)[nH]c2=O ZINC000738299258 925153782 /nfs/dbraw/zinc/15/37/82/925153782.db2.gz KKIMHDNGSMFPPG-UHFFFAOYSA-N 1 2 368.441 1.538 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)cc2=O ZINC000746465593 928076655 /nfs/dbraw/zinc/07/66/55/928076655.db2.gz XXFRTNZRYWKCGE-CQSZACIVSA-N 1 2 374.319 1.111 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@](O)(C(F)(F)F)C1)cc2=O ZINC000746465593 928076665 /nfs/dbraw/zinc/07/66/65/928076665.db2.gz XXFRTNZRYWKCGE-CQSZACIVSA-N 1 2 374.319 1.111 20 10 FDCDLO COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)[NH+](C)C)n3)CC2)cc1 ZINC000771065328 930411940 /nfs/dbraw/zinc/41/19/40/930411940.db2.gz FBHUWMZHAOWFDW-AWEZNQCLSA-N 1 2 373.457 1.592 20 10 FDCDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806276167 939875519 /nfs/dbraw/zinc/87/55/19/939875519.db2.gz JYWNMAFKBSHFSO-UHFFFAOYSA-N 1 2 367.500 1.487 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000807099895 940249156 /nfs/dbraw/zinc/24/91/56/940249156.db2.gz GXQCRUGDBYUPLF-UHFFFAOYSA-N 1 2 369.469 1.737 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816825713 942357319 /nfs/dbraw/zinc/35/73/19/942357319.db2.gz LIBHOGGCCWMQBP-QGZVFWFLSA-N 1 2 354.454 1.941 20 10 FDCDLO O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000823510021 945818954 /nfs/dbraw/zinc/81/89/54/945818954.db2.gz PEVTVOXOIIGLAL-CHWSQXEVSA-N 1 2 362.380 1.944 20 10 FDCDLO O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000823510021 945818966 /nfs/dbraw/zinc/81/89/66/945818966.db2.gz PEVTVOXOIIGLAL-CHWSQXEVSA-N 1 2 362.380 1.944 20 10 FDCDLO O=C(c1cccc(O)c1O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001148214157 952648631 /nfs/dbraw/zinc/64/86/31/952648631.db2.gz OUGMCHZCRIPADO-CQSZACIVSA-N 1 2 357.410 1.993 20 10 FDCDLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715827589 958480907 /nfs/dbraw/zinc/48/09/07/958480907.db2.gz NHDNQXIYCVKBSU-JTQLQIEISA-N 1 2 352.225 1.961 20 10 FDCDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CCc3ccc(O)c(O)c3)c12 ZINC001182154645 961502555 /nfs/dbraw/zinc/50/25/55/961502555.db2.gz KXLYJKKNQBZCMA-UHFFFAOYSA-N 1 2 356.338 1.727 20 10 FDCDLO C[N@@H+]1CCCn2nc(C(=O)N3CCCc4cc(O)c(O)cc4C3)cc2C1 ZINC001175077374 963046048 /nfs/dbraw/zinc/04/60/48/963046048.db2.gz MRTHSUPJERSDBH-UHFFFAOYSA-N 1 2 356.426 1.718 20 10 FDCDLO C[N@H+]1CCCn2nc(C(=O)N3CCCc4cc(O)c(O)cc4C3)cc2C1 ZINC001175077374 963046062 /nfs/dbraw/zinc/04/60/62/963046062.db2.gz MRTHSUPJERSDBH-UHFFFAOYSA-N 1 2 356.426 1.718 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3CCOC[C@H]3C)cc12 ZINC001184361101 963541611 /nfs/dbraw/zinc/54/16/11/963541611.db2.gz VOKZWMZZNBATME-CZUORRHYSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3CCOC[C@H]3C)cc12 ZINC001184361101 963541614 /nfs/dbraw/zinc/54/16/14/963541614.db2.gz VOKZWMZZNBATME-CZUORRHYSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)C3(C)COC3)cc12 ZINC001184358739 963542264 /nfs/dbraw/zinc/54/22/64/963542264.db2.gz CEOHKNIHMIIKBC-UHFFFAOYSA-N 1 2 360.410 1.486 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)C3(C)COC3)cc12 ZINC001184358739 963542268 /nfs/dbraw/zinc/54/22/68/963542268.db2.gz CEOHKNIHMIIKBC-UHFFFAOYSA-N 1 2 360.410 1.486 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3C[C@@H](O)C3(C)C)cc12 ZINC001184359809 963542334 /nfs/dbraw/zinc/54/23/34/963542334.db2.gz LURKEFKTLTZXMN-DLBZAZTESA-N 1 2 374.437 1.514 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3C[C@@H](O)C3(C)C)cc12 ZINC001184359809 963542335 /nfs/dbraw/zinc/54/23/35/963542335.db2.gz LURKEFKTLTZXMN-DLBZAZTESA-N 1 2 374.437 1.514 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)cc1 ZINC000852192567 967081518 /nfs/dbraw/zinc/08/15/18/967081518.db2.gz VPAMQAVOIATLGW-HZPDHXFCSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CCOC[C@H]3C)C2)cc1 ZINC000852192567 967081528 /nfs/dbraw/zinc/08/15/28/967081528.db2.gz VPAMQAVOIATLGW-HZPDHXFCSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1cc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc(O)c1O ZINC001193096406 969500975 /nfs/dbraw/zinc/50/09/75/969500975.db2.gz SSWUJQCDJZJQEP-UHFFFAOYSA-N 1 2 357.410 1.502 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)NCC[NH+]3CC4(COC4)C3)cs2)cc1 ZINC001193178326 969552960 /nfs/dbraw/zinc/55/29/60/969552960.db2.gz BEMIIQYHOJBNDW-UHFFFAOYSA-N 1 2 372.494 1.938 20 10 FDCDLO C[NH+]1CCN(c2ncc(NC(=O)c3cc(O)c(O)c(Cl)c3)cn2)CC1 ZINC001193589300 969752612 /nfs/dbraw/zinc/75/26/12/969752612.db2.gz HXIFOYXBLIFCBA-UHFFFAOYSA-N 1 2 363.805 1.545 20 10 FDCDLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000865019517 974018848 /nfs/dbraw/zinc/01/88/48/974018848.db2.gz SBMNWFJKGPTENA-KYVUIXNKSA-N 1 2 359.470 1.589 20 10 FDCDLO O=C(CCc1cn[nH]n1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764620 976011562 /nfs/dbraw/zinc/01/15/62/976011562.db2.gz PARDVXHJVPOCQB-HNNXBMFYSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1cn[nH]n1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764620 976011577 /nfs/dbraw/zinc/01/15/77/976011577.db2.gz PARDVXHJVPOCQB-HNNXBMFYSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1c[nH]nn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764620 976011594 /nfs/dbraw/zinc/01/15/94/976011594.db2.gz PARDVXHJVPOCQB-HNNXBMFYSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1c[nH]nn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764620 976011603 /nfs/dbraw/zinc/01/16/03/976011603.db2.gz PARDVXHJVPOCQB-HNNXBMFYSA-N 1 2 363.849 1.877 20 10 FDCDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848652742 976979026 /nfs/dbraw/zinc/97/90/26/976979026.db2.gz BVKYNZKPDDKALA-ZDUSSCGKSA-N 1 2 356.430 1.381 20 10 FDCDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848652742 976979029 /nfs/dbraw/zinc/97/90/29/976979029.db2.gz BVKYNZKPDDKALA-ZDUSSCGKSA-N 1 2 356.430 1.381 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000851961611 979225982 /nfs/dbraw/zinc/22/59/82/979225982.db2.gz YODRQNWXSZRUOU-HOTGVXAUSA-N 1 2 362.474 1.294 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851990284 979250011 /nfs/dbraw/zinc/25/00/11/979250011.db2.gz TZBSCRVLVGOXAQ-HNNXBMFYSA-N 1 2 357.458 1.732 20 10 FDCDLO Oc1c(F)cc(F)cc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000882887213 981777145 /nfs/dbraw/zinc/77/71/45/981777145.db2.gz HGHCDMKUMZWKEZ-UHFFFAOYSA-N 1 2 363.412 1.762 20 10 FDCDLO COC(=O)[C@H]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C[NH2+]1 ZINC000365764361 988060057 /nfs/dbraw/zinc/06/00/57/988060057.db2.gz MAHQVVMRWRJROT-KBXCAEBGSA-N 1 2 371.437 1.736 20 10 FDCDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000295664983 988726987 /nfs/dbraw/zinc/72/69/87/988726987.db2.gz QVDWBZQJEBSVSV-KRWDZBQOSA-N 1 2 362.474 1.531 20 10 FDCDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000295664983 988726991 /nfs/dbraw/zinc/72/69/91/988726991.db2.gz QVDWBZQJEBSVSV-KRWDZBQOSA-N 1 2 362.474 1.531 20 10 FDCDLO CN1CCc2cc(CNC(=O)N(CC3CC3)C[C@@H]3C[N@H+](C)CCO3)ccc21 ZINC000364702077 989726052 /nfs/dbraw/zinc/72/60/52/989726052.db2.gz DEHNGLKYCQTVMU-IBGZPJMESA-N 1 2 372.513 1.931 20 10 FDCDLO CN1CCc2cc(CNC(=O)N(CC3CC3)C[C@@H]3C[N@@H+](C)CCO3)ccc21 ZINC000364702077 989726058 /nfs/dbraw/zinc/72/60/58/989726058.db2.gz DEHNGLKYCQTVMU-IBGZPJMESA-N 1 2 372.513 1.931 20 10 FDCDLO C[S@@](=N)(=O)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877788826 993514286 /nfs/dbraw/zinc/51/42/86/993514286.db2.gz IUZDBHVMOZBSSG-DEOSSOPVSA-N 1 2 352.504 1.357 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)c(OC)c1 ZINC000879463310 994928781 /nfs/dbraw/zinc/92/87/81/994928781.db2.gz VEIWSKADVHEDEU-MRXNPFEDSA-N 1 2 361.442 1.809 20 10 FDCDLO CCOc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c1O ZINC000271083967 999658597 /nfs/dbraw/zinc/65/85/97/999658597.db2.gz BBENTZCOIZUBTJ-UHFFFAOYSA-N 1 2 361.442 1.058 20 10 FDCDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283199098 999744520 /nfs/dbraw/zinc/74/45/20/999744520.db2.gz ZIDQZPKRCUACGM-SFHVURJKSA-N 1 2 355.442 1.374 20 10 FDCDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283199098 999744522 /nfs/dbraw/zinc/74/45/22/999744522.db2.gz ZIDQZPKRCUACGM-SFHVURJKSA-N 1 2 355.442 1.374 20 10 FDCDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000779559067 1010112473 /nfs/dbraw/zinc/11/24/73/1010112473.db2.gz XTFVFYITTARFRG-INIZCTEOSA-N 1 2 367.409 1.657 20 10 FDCDLO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000530241210 539918419 /nfs/dbraw/zinc/91/84/19/539918419.db2.gz DMIYUSGHMOOKLY-UHFFFAOYSA-N 1 2 373.284 1.842 20 10 FDCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764811 524270755 /nfs/dbraw/zinc/27/07/55/524270755.db2.gz PNJKRGKUFVHWQG-QLPSFHHPSA-N 1 2 371.481 1.470 20 10 FDCDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866254 524333441 /nfs/dbraw/zinc/33/34/41/524333441.db2.gz CJHCYBYOIYLNKR-CQSZACIVSA-N 1 2 353.438 1.498 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151555545 524612484 /nfs/dbraw/zinc/61/24/84/524612484.db2.gz GUJFVCJTRSFTEQ-OAHLLOKOSA-N 1 2 358.417 1.738 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000091864142 524803317 /nfs/dbraw/zinc/80/33/17/524803317.db2.gz UOJGQFJAAJXFOX-NSHDSACASA-N 1 2 356.220 1.373 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000091864142 524803328 /nfs/dbraw/zinc/80/33/28/524803328.db2.gz UOJGQFJAAJXFOX-NSHDSACASA-N 1 2 356.220 1.373 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1F ZINC000153511770 525234146 /nfs/dbraw/zinc/23/41/46/525234146.db2.gz QCOXNKSMGXKUDO-AWEZNQCLSA-N 1 2 358.417 1.942 20 10 FDCDLO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CN1CCN1CCOCC1 ZINC000181346851 525842755 /nfs/dbraw/zinc/84/27/55/525842755.db2.gz UUROPHUYWKSVBQ-CQSZACIVSA-N 1 2 353.850 1.068 20 10 FDCDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1S(C)(=O)=O ZINC000181935270 525989716 /nfs/dbraw/zinc/98/97/16/525989716.db2.gz ZWMBATQEGYNUQJ-JTQLQIEISA-N 1 2 363.277 1.620 20 10 FDCDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1S(C)(=O)=O ZINC000181935270 525989719 /nfs/dbraw/zinc/98/97/19/525989719.db2.gz ZWMBATQEGYNUQJ-JTQLQIEISA-N 1 2 363.277 1.620 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000283983598 537399426 /nfs/dbraw/zinc/39/94/26/537399426.db2.gz OFRSIUMFFYJRIR-UHFFFAOYSA-N 1 2 365.437 1.675 20 10 FDCDLO COC(=O)COc1ccc([N@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000273156618 537402273 /nfs/dbraw/zinc/40/22/73/537402273.db2.gz YYCOPECAUNREKN-UHFFFAOYSA-N 1 2 363.414 1.395 20 10 FDCDLO COC(=O)COc1ccc([N@@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000273156618 537402280 /nfs/dbraw/zinc/40/22/80/537402280.db2.gz YYCOPECAUNREKN-UHFFFAOYSA-N 1 2 363.414 1.395 20 10 FDCDLO Cn1ncc2c1nc(NCc1ccc(N3CCC(CO)CC3)cc1)[nH+]c2N ZINC000276352763 537442462 /nfs/dbraw/zinc/44/24/62/537442462.db2.gz YBYFBVSEJUHZEZ-UHFFFAOYSA-N 1 2 367.457 1.766 20 10 FDCDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc[nH+]1 ZINC000294428404 537694442 /nfs/dbraw/zinc/69/44/42/537694442.db2.gz OVNPNJMKBDKEGE-ZDUSSCGKSA-N 1 2 361.421 1.857 20 10 FDCDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]cn1 ZINC000294428404 537694443 /nfs/dbraw/zinc/69/44/43/537694443.db2.gz OVNPNJMKBDKEGE-ZDUSSCGKSA-N 1 2 361.421 1.857 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368175842 537976113 /nfs/dbraw/zinc/97/61/13/537976113.db2.gz LKMRNRVZGHLLBB-OAHLLOKOSA-N 1 2 355.442 1.603 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368175842 537976117 /nfs/dbraw/zinc/97/61/17/537976117.db2.gz LKMRNRVZGHLLBB-OAHLLOKOSA-N 1 2 355.442 1.603 20 10 FDCDLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1O ZINC000821649690 606322594 /nfs/dbraw/zinc/32/25/94/606322594.db2.gz BEAYPUXRLSMCGZ-INIZCTEOSA-N 1 2 353.382 1.918 20 10 FDCDLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1O ZINC000821649690 606322596 /nfs/dbraw/zinc/32/25/96/606322596.db2.gz BEAYPUXRLSMCGZ-INIZCTEOSA-N 1 2 353.382 1.918 20 10 FDCDLO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048795681 671086079 /nfs/dbraw/zinc/08/60/79/671086079.db2.gz RJAFXLZRDRDILW-UHFFFAOYSA-N 1 2 363.277 1.668 20 10 FDCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2O)C[C@H]1CO ZINC000895462074 822611569 /nfs/dbraw/zinc/61/15/69/822611569.db2.gz IFXRGDRAROICLB-AOOOYVTPSA-N 1 2 350.640 1.841 20 10 FDCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2O)C[C@H]1CO ZINC000895462074 822611570 /nfs/dbraw/zinc/61/15/70/822611570.db2.gz IFXRGDRAROICLB-AOOOYVTPSA-N 1 2 350.640 1.841 20 10 FDCDLO Cc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000368996857 829264206 /nfs/dbraw/zinc/26/42/06/829264206.db2.gz ZKHABTJCXIIVRQ-UHFFFAOYSA-N 1 2 354.454 1.727 20 10 FDCDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000368996857 829264214 /nfs/dbraw/zinc/26/42/14/829264214.db2.gz ZKHABTJCXIIVRQ-UHFFFAOYSA-N 1 2 354.454 1.727 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000729624129 834890909 /nfs/dbraw/zinc/89/09/09/834890909.db2.gz SOZZPFNSYYKXRQ-IHRRRGAJSA-N 1 2 351.447 1.870 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)ccc21 ZINC000913551045 862370471 /nfs/dbraw/zinc/37/04/71/862370471.db2.gz HHXMRPSLBSQZNC-QGZVFWFLSA-N 1 2 359.470 1.653 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)ccc21 ZINC000913551045 862370490 /nfs/dbraw/zinc/37/04/90/862370490.db2.gz HHXMRPSLBSQZNC-QGZVFWFLSA-N 1 2 359.470 1.653 20 10 FDCDLO C/C(=C/C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCOCC1 ZINC000912709899 860058825 /nfs/dbraw/zinc/05/88/25/860058825.db2.gz YCFBRVMSHJOTKG-VKAVYKQESA-N 1 2 373.497 1.542 20 10 FDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4ccco4)CC3)cc2N1 ZINC000761869743 874744024 /nfs/dbraw/zinc/74/40/24/874744024.db2.gz BCARYRQPLHARLG-UHFFFAOYSA-N 1 2 358.354 1.841 20 10 FDCDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933069 906009684 /nfs/dbraw/zinc/00/96/84/906009684.db2.gz NUKXBTVNQBPJOA-IRXDYDNUSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933069 906009693 /nfs/dbraw/zinc/00/96/93/906009693.db2.gz NUKXBTVNQBPJOA-IRXDYDNUSA-N 1 2 361.486 1.843 20 10 FDCDLO COC(=O)C[N@H+](Cc1ccn(C)c(=O)c1)Cc1cc(Cl)ccc1O ZINC000731845251 918669630 /nfs/dbraw/zinc/66/96/30/918669630.db2.gz SSIJCUYSGJQJDY-UHFFFAOYSA-N 1 2 350.802 1.920 20 10 FDCDLO COC(=O)C[N@@H+](Cc1ccn(C)c(=O)c1)Cc1cc(Cl)ccc1O ZINC000731845251 918669637 /nfs/dbraw/zinc/66/96/37/918669637.db2.gz SSIJCUYSGJQJDY-UHFFFAOYSA-N 1 2 350.802 1.920 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)nnc3C)CC2)cc1 ZINC000767338557 929222020 /nfs/dbraw/zinc/22/20/20/929222020.db2.gz HVGWVUICJZQRBM-UHFFFAOYSA-N 1 2 369.469 1.654 20 10 FDCDLO CS(=O)(=O)NCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000809694502 940879326 /nfs/dbraw/zinc/87/93/26/940879326.db2.gz QYNYVBNUMYCJTQ-UHFFFAOYSA-N 1 2 350.843 1.946 20 10 FDCDLO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816547369 942249795 /nfs/dbraw/zinc/24/97/95/942249795.db2.gz UCZVRMJNYJMFOV-UHFFFAOYSA-N 1 2 364.870 1.783 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cs1 ZINC000775676955 971372074 /nfs/dbraw/zinc/37/20/74/971372074.db2.gz CUWCQWIHYOJWJQ-UHFFFAOYSA-N 1 2 367.496 1.972 20 10 FDCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509958 949789178 /nfs/dbraw/zinc/78/91/78/949789178.db2.gz OJZMQKFVFLNFNI-INIZCTEOSA-N 1 2 374.441 1.816 20 10 FDCDLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144509958 949789185 /nfs/dbraw/zinc/78/91/85/949789185.db2.gz OJZMQKFVFLNFNI-INIZCTEOSA-N 1 2 374.441 1.816 20 10 FDCDLO O=C(c1cc(O)c(O)c(O)c1)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001148584263 952757520 /nfs/dbraw/zinc/75/75/20/952757520.db2.gz QEIWQBDWTDQZAJ-UHFFFAOYSA-N 1 2 368.393 1.638 20 10 FDCDLO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715793593 958416790 /nfs/dbraw/zinc/41/67/90/958416790.db2.gz XHJXMLJQOBUATP-UHFFFAOYSA-N 1 2 369.256 1.711 20 10 FDCDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715813118 958480542 /nfs/dbraw/zinc/48/05/42/958480542.db2.gz MCQUYWQITRLGCK-GHMZBOCLSA-N 1 2 368.224 1.195 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3cn[nH]c(=O)c3)cc12 ZINC001184356156 963540130 /nfs/dbraw/zinc/54/01/30/963540130.db2.gz AOQRUWIEWFAVNV-UHFFFAOYSA-N 1 2 370.365 1.373 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3cn[nH]c(=O)c3)cc12 ZINC001184356156 963540133 /nfs/dbraw/zinc/54/01/33/963540133.db2.gz AOQRUWIEWFAVNV-UHFFFAOYSA-N 1 2 370.365 1.373 20 10 FDCDLO COC1CC(CNC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184359736 963541203 /nfs/dbraw/zinc/54/12/03/963541203.db2.gz KKHGTOHBOFESTK-UHFFFAOYSA-N 1 2 374.437 1.780 20 10 FDCDLO COC1CC(CNC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184359736 963541213 /nfs/dbraw/zinc/54/12/13/963541213.db2.gz KKHGTOHBOFESTK-UHFFFAOYSA-N 1 2 374.437 1.780 20 10 FDCDLO CCCOCCNC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184362786 963543579 /nfs/dbraw/zinc/54/35/79/963543579.db2.gz VGOKVBNLYSQSIA-UHFFFAOYSA-N 1 2 362.426 1.782 20 10 FDCDLO CCCOCCNC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184362786 963543586 /nfs/dbraw/zinc/54/35/86/963543586.db2.gz VGOKVBNLYSQSIA-UHFFFAOYSA-N 1 2 362.426 1.782 20 10 FDCDLO C[NH+]1CCN(c2ccccc2C(=O)NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001186905396 964861524 /nfs/dbraw/zinc/86/15/24/964861524.db2.gz LGHWVJZBLCNQTB-UHFFFAOYSA-N 1 2 369.421 1.462 20 10 FDCDLO COc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc(O)c1O ZINC001193096377 969500922 /nfs/dbraw/zinc/50/09/22/969500922.db2.gz RPNFIEBADZTFNJ-UHFFFAOYSA-N 1 2 372.421 1.943 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncccc3N)CC2)cc1 ZINC000865033108 974027794 /nfs/dbraw/zinc/02/77/94/974027794.db2.gz CCMZIVVNXQJEHX-UHFFFAOYSA-N 1 2 355.442 1.224 20 10 FDCDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000848688896 977010356 /nfs/dbraw/zinc/01/03/56/977010356.db2.gz PIJMUFHFIOXPEU-UHFFFAOYSA-N 1 2 356.430 1.348 20 10 FDCDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000848688896 977010365 /nfs/dbraw/zinc/01/03/65/977010365.db2.gz PIJMUFHFIOXPEU-UHFFFAOYSA-N 1 2 356.430 1.348 20 10 FDCDLO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716992 979013016 /nfs/dbraw/zinc/01/30/16/979013016.db2.gz SXZOXNPLYBLQTI-QGZVFWFLSA-N 1 2 364.442 1.450 20 10 FDCDLO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000851716992 979013019 /nfs/dbraw/zinc/01/30/19/979013019.db2.gz SXZOXNPLYBLQTI-QGZVFWFLSA-N 1 2 364.442 1.450 20 10 FDCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(Br)ccc1O ZINC000882193895 980470640 /nfs/dbraw/zinc/47/06/40/980470640.db2.gz BWXDNZXYYIJSAW-UHFFFAOYSA-N 1 2 360.233 1.471 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCc3c(O)cccc3C1)cc2=O ZINC000859947045 983114148 /nfs/dbraw/zinc/11/41/48/983114148.db2.gz TUUZXULYFIKOSE-UHFFFAOYSA-N 1 2 368.393 1.876 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCc3c(O)cccc3C1)cc2=O ZINC000859947045 983114157 /nfs/dbraw/zinc/11/41/57/983114157.db2.gz TUUZXULYFIKOSE-UHFFFAOYSA-N 1 2 368.393 1.876 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)/C=C/C[NH+]3CCOCC3)C2)cc1 ZINC000868955135 984723009 /nfs/dbraw/zinc/72/30/09/984723009.db2.gz IZJZFEIHFHIIDA-RCAFFNEUSA-N 1 2 359.470 1.526 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)c(OC)c1 ZINC000870164425 985758753 /nfs/dbraw/zinc/75/87/53/985758753.db2.gz WWTUTWWYGUGYAX-OAHLLOKOSA-N 1 2 370.453 1.812 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCCCN(C)C2=O)cc1 ZINC000872264060 987558596 /nfs/dbraw/zinc/55/85/96/987558596.db2.gz JJGNPHQEWRLMDM-SFHVURJKSA-N 1 2 360.502 1.654 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCCCN(C)C2=O)cc1 ZINC000872264060 987558602 /nfs/dbraw/zinc/55/86/02/987558602.db2.gz JJGNPHQEWRLMDM-SFHVURJKSA-N 1 2 360.502 1.654 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC000367240009 988942951 /nfs/dbraw/zinc/94/29/51/988942951.db2.gz ILRUNSAYTFYMLC-LJQANCHMSA-N 1 2 359.470 1.455 20 10 FDCDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000369707553 989110538 /nfs/dbraw/zinc/11/05/38/989110538.db2.gz UGZVLKJFRVXJLW-UYAOXDASSA-N 1 2 361.486 1.639 20 10 FDCDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000369707553 989110543 /nfs/dbraw/zinc/11/05/43/989110543.db2.gz UGZVLKJFRVXJLW-UYAOXDASSA-N 1 2 361.486 1.639 20 10 FDCDLO Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c(O)c1O ZINC000365047224 989984689 /nfs/dbraw/zinc/98/46/89/989984689.db2.gz XTCCCABQJZEWNO-UHFFFAOYSA-N 1 2 363.458 1.469 20 10 FDCDLO Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c(O)c1O ZINC000365047224 989984699 /nfs/dbraw/zinc/98/46/99/989984699.db2.gz XTCCCABQJZEWNO-UHFFFAOYSA-N 1 2 363.458 1.469 20 10 FDCDLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000877147808 993070501 /nfs/dbraw/zinc/07/05/01/993070501.db2.gz AKAGJUSAZGQJNL-ZDUSSCGKSA-N 1 2 351.275 1.944 20 10 FDCDLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1)C1CC1 ZINC000877534341 993324504 /nfs/dbraw/zinc/32/45/04/993324504.db2.gz GFDPORCKQKQIGU-LLVKDONJSA-N 1 2 360.426 1.964 20 10 FDCDLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1)C1CC1 ZINC000877534341 993324516 /nfs/dbraw/zinc/32/45/16/993324516.db2.gz GFDPORCKQKQIGU-LLVKDONJSA-N 1 2 360.426 1.964 20 10 FDCDLO C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C(=O)[O-])ccc1O ZINC001593218168 994281617 /nfs/dbraw/zinc/28/16/17/994281617.db2.gz GKWWTWNDEAEOOD-ZBFHGGJFSA-N 1 2 363.458 1.148 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC=C(c3cnn(C)c3)C2)cc1 ZINC000878906244 994340762 /nfs/dbraw/zinc/34/07/62/994340762.db2.gz SPSUZSUAHRDLLM-UHFFFAOYSA-N 1 2 353.470 1.892 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC=C(c3cnn(C)c3)C2)cc1 ZINC000878906244 994340778 /nfs/dbraw/zinc/34/07/78/994340778.db2.gz SPSUZSUAHRDLLM-UHFFFAOYSA-N 1 2 353.470 1.892 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000054787092 523695971 /nfs/dbraw/zinc/69/59/71/523695971.db2.gz AWPHGFSFDCGWCI-UHFFFAOYSA-N 1 2 369.469 1.984 20 10 FDCDLO CN(C)c1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 ZINC000093735906 524997675 /nfs/dbraw/zinc/99/76/75/524997675.db2.gz JRTCPSSERDPFNF-UHFFFAOYSA-N 1 2 364.471 1.388 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1F ZINC000153511687 525235379 /nfs/dbraw/zinc/23/53/79/525235379.db2.gz QCOXNKSMGXKUDO-CQSZACIVSA-N 1 2 358.417 1.942 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155851885 525992277 /nfs/dbraw/zinc/99/22/77/525992277.db2.gz LVYGKVRBKVNPFK-KRWDZBQOSA-N 1 2 354.454 1.941 20 10 FDCDLO COc1c(O)c(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000278314534 537296724 /nfs/dbraw/zinc/29/67/24/537296724.db2.gz XDWIIFKLRXHYBR-SNVBAGLBSA-N 1 2 358.416 1.707 20 10 FDCDLO COc1c(O)c(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000278314534 537296728 /nfs/dbraw/zinc/29/67/28/537296728.db2.gz XDWIIFKLRXHYBR-SNVBAGLBSA-N 1 2 358.416 1.707 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000298899119 537361903 /nfs/dbraw/zinc/36/19/03/537361903.db2.gz MIIBKFNZFLETTG-KRWDZBQOSA-N 1 2 363.408 1.970 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000365432822 568666467 /nfs/dbraw/zinc/66/64/67/568666467.db2.gz ODELIFKJKGOAOH-OYLFLEFRSA-N 1 2 351.516 1.411 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1 ZINC000365432822 568666470 /nfs/dbraw/zinc/66/64/70/568666470.db2.gz ODELIFKJKGOAOH-OYLFLEFRSA-N 1 2 351.516 1.411 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1F ZINC000826209417 607513608 /nfs/dbraw/zinc/51/36/08/607513608.db2.gz AQUDALRETSNYER-UHFFFAOYSA-N 1 2 369.404 1.732 20 10 FDCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(N)=O ZINC000134415825 671828050 /nfs/dbraw/zinc/82/80/50/671828050.db2.gz XPULKVLKAFFASS-RXMQYKEDSA-N 1 2 352.026 1.881 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cn1C ZINC000180583827 672181130 /nfs/dbraw/zinc/18/11/30/672181130.db2.gz LNNMQRWQXBZZBY-UHFFFAOYSA-N 1 2 364.471 1.249 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000289678218 676165905 /nfs/dbraw/zinc/16/59/05/676165905.db2.gz NTVZUXFLGJNWTN-UHFFFAOYSA-N 1 2 371.455 1.343 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000276590416 778311764 /nfs/dbraw/zinc/31/17/64/778311764.db2.gz NBDARWBPMGMZLE-FQEVSTJZSA-N 1 2 373.497 1.783 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000276590416 778311772 /nfs/dbraw/zinc/31/17/72/778311772.db2.gz NBDARWBPMGMZLE-FQEVSTJZSA-N 1 2 373.497 1.783 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@H]3CO)cc2F)C[C@H](C)O1 ZINC000934025984 780625797 /nfs/dbraw/zinc/62/57/97/780625797.db2.gz IMYXLKUCWQCGND-LZWOXQAQSA-N 1 2 365.449 1.122 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@H]3CO)cc2F)C[C@H](C)O1 ZINC000934025984 780625807 /nfs/dbraw/zinc/62/58/07/780625807.db2.gz IMYXLKUCWQCGND-LZWOXQAQSA-N 1 2 365.449 1.122 20 10 FDCDLO COc1cc(N2CCN(c3cc(N(C)C)[nH+]cn3)CC2)cc(OC)c1OC ZINC000893174418 793713207 /nfs/dbraw/zinc/71/32/07/793713207.db2.gz YWNWAWZLNCXSGR-UHFFFAOYSA-N 1 2 373.457 1.895 20 10 FDCDLO COc1cc(N2CCN(c3cc(N(C)C)nc[nH+]3)CC2)cc(OC)c1OC ZINC000893174418 793713211 /nfs/dbraw/zinc/71/32/11/793713211.db2.gz YWNWAWZLNCXSGR-UHFFFAOYSA-N 1 2 373.457 1.895 20 10 FDCDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc(OC)c(OC)c2O)[C@H](C)C1 ZINC000894443243 818057956 /nfs/dbraw/zinc/05/79/56/818057956.db2.gz DDDAOLQYOJBHBQ-GFCCVEGCSA-N 1 2 358.460 1.265 20 10 FDCDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)[C@H](C)C1 ZINC000894443243 818057962 /nfs/dbraw/zinc/05/79/62/818057962.db2.gz DDDAOLQYOJBHBQ-GFCCVEGCSA-N 1 2 358.460 1.265 20 10 FDCDLO Cn1ccn2c(CC[NH2+]Cc3cc(Cl)cc(F)c3O)nnc2c1=O ZINC000895790448 822744663 /nfs/dbraw/zinc/74/46/63/822744663.db2.gz WKKOBPNXDOFEOK-UHFFFAOYSA-N 1 2 351.769 1.258 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CCC(C)C)CC2)cc1 ZINC000732923161 920313330 /nfs/dbraw/zinc/31/33/30/920313330.db2.gz QMVDPZGTPOORFJ-UHFFFAOYSA-N 1 2 369.531 1.783 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnc(C)n3)CC2)cc1 ZINC000742919056 926214827 /nfs/dbraw/zinc/21/48/27/926214827.db2.gz BETNETZJPIVIPR-UHFFFAOYSA-N 1 2 355.442 1.346 20 10 FDCDLO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000806279766 939878173 /nfs/dbraw/zinc/87/81/73/939878173.db2.gz ZCQZYBLXDROABK-LLVKDONJSA-N 1 2 365.484 1.069 20 10 FDCDLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000806665257 940013555 /nfs/dbraw/zinc/01/35/55/940013555.db2.gz LJEWPNBECXNNPJ-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000806665257 940013560 /nfs/dbraw/zinc/01/35/60/940013560.db2.gz LJEWPNBECXNNPJ-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000856216700 970990530 /nfs/dbraw/zinc/99/05/30/970990530.db2.gz ZVIPVWOSWLKZAD-INIZCTEOSA-N 1 2 354.454 1.723 20 10 FDCDLO O[C@H](CNc1ccccc1OC[C@@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000819425637 943582597 /nfs/dbraw/zinc/58/25/97/943582597.db2.gz FRLGETTXYQKPBB-SJORKVTESA-N 1 2 350.459 1.740 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000819697087 943695593 /nfs/dbraw/zinc/69/55/93/943695593.db2.gz OMNJFOWQEDRNJA-AWEZNQCLSA-N 1 2 357.410 1.743 20 10 FDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000824999783 947034648 /nfs/dbraw/zinc/03/46/48/947034648.db2.gz JPGNPICKMDVNEO-NSHDSACASA-N 1 2 370.392 1.212 20 10 FDCDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824999783 947034662 /nfs/dbraw/zinc/03/46/62/947034662.db2.gz JPGNPICKMDVNEO-NSHDSACASA-N 1 2 370.392 1.212 20 10 FDCDLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H](C)CO1 ZINC000844390456 948022618 /nfs/dbraw/zinc/02/26/18/948022618.db2.gz XNTKLOQNEQTIPS-AEFFLSMTSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H](C)CO1 ZINC000844390456 948022627 /nfs/dbraw/zinc/02/26/27/948022627.db2.gz XNTKLOQNEQTIPS-AEFFLSMTSA-N 1 2 361.486 1.843 20 10 FDCDLO CCN(CC)c1ccc(CN(C)S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001185094810 963805572 /nfs/dbraw/zinc/80/55/72/963805572.db2.gz URLDXHBFPIWVPY-UHFFFAOYSA-N 1 2 354.520 1.457 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000852266806 967171902 /nfs/dbraw/zinc/17/19/02/967171902.db2.gz UOCLUJYZXLFSHV-LSDHHAIUSA-N 1 2 355.442 1.785 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000852266803 967172425 /nfs/dbraw/zinc/17/24/25/967172425.db2.gz UOCLUJYZXLFSHV-CABCVRRESA-N 1 2 355.442 1.785 20 10 FDCDLO OC1CCN(c2ccc(CNc3cc(N4CCOCC4)nc[nH+]3)cc2)CC1 ZINC000853956033 968468458 /nfs/dbraw/zinc/46/84/58/968468458.db2.gz PCJKACXNCZYAJS-UHFFFAOYSA-N 1 2 369.469 1.886 20 10 FDCDLO OC1CCN(c2ccc(CNc3cc(N4CCOCC4)[nH+]cn3)cc2)CC1 ZINC000853956033 968468470 /nfs/dbraw/zinc/46/84/70/968468470.db2.gz PCJKACXNCZYAJS-UHFFFAOYSA-N 1 2 369.469 1.886 20 10 FDCDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000848922640 977238781 /nfs/dbraw/zinc/23/87/81/977238781.db2.gz WGMRFHFRQRGLIS-LLVKDONJSA-N 1 2 368.308 1.681 20 10 FDCDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000848922640 977238786 /nfs/dbraw/zinc/23/87/86/977238786.db2.gz WGMRFHFRQRGLIS-LLVKDONJSA-N 1 2 368.308 1.681 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373565672 992294086 /nfs/dbraw/zinc/29/40/86/992294086.db2.gz DPCGVTJSRNQAJE-OAHLLOKOSA-N 1 2 372.444 1.862 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000283840750 999761950 /nfs/dbraw/zinc/76/19/50/999761950.db2.gz CLROHUFDKJJUBH-HNNXBMFYSA-N 1 2 373.457 1.267 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000283840750 999761952 /nfs/dbraw/zinc/76/19/52/999761952.db2.gz CLROHUFDKJJUBH-HNNXBMFYSA-N 1 2 373.457 1.267 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCc3c(ncn3CC)C1)cc2=O ZINC000933257713 1005526754 /nfs/dbraw/zinc/52/67/54/1005526754.db2.gz IOIGMFKHOOGCOZ-UHFFFAOYSA-N 1 2 370.413 1.386 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCc3c(ncn3CC)C1)cc2=O ZINC000933257713 1005526756 /nfs/dbraw/zinc/52/67/56/1005526756.db2.gz IOIGMFKHOOGCOZ-UHFFFAOYSA-N 1 2 370.413 1.386 20 10 FDCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935310872 1005887827 /nfs/dbraw/zinc/88/78/27/1005887827.db2.gz NWDSUTIAMKQYQL-JOQOYGCGSA-N 1 2 364.442 1.025 20 10 FDCDLO Cc1cc(CN2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)no1 ZINC000039519903 519637156 /nfs/dbraw/zinc/63/71/56/519637156.db2.gz QLVSCXQZWIWOPT-UHFFFAOYSA-N 1 2 371.485 1.483 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000299242742 537504151 /nfs/dbraw/zinc/50/41/51/537504151.db2.gz KDPWBCMDXDNIPB-GDBMZVCRSA-N 1 2 359.392 1.756 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000299242742 537504157 /nfs/dbraw/zinc/50/41/57/537504157.db2.gz KDPWBCMDXDNIPB-GDBMZVCRSA-N 1 2 359.392 1.756 20 10 FDCDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000276614010 537593138 /nfs/dbraw/zinc/59/31/38/537593138.db2.gz PZVSPZFJXOCWML-CYBMUJFWSA-N 1 2 374.416 1.572 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000367422543 537958286 /nfs/dbraw/zinc/95/82/86/537958286.db2.gz KYXKKFWHTXEKBG-UHFFFAOYSA-N 1 2 356.264 1.408 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000367422543 537958292 /nfs/dbraw/zinc/95/82/92/537958292.db2.gz KYXKKFWHTXEKBG-UHFFFAOYSA-N 1 2 356.264 1.408 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000561628964 545913547 /nfs/dbraw/zinc/91/35/47/545913547.db2.gz WQUQHCOGXXYLPM-UHFFFAOYSA-N 1 2 367.453 1.848 20 10 FDCDLO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000093390713 671521715 /nfs/dbraw/zinc/52/17/15/671521715.db2.gz DHMWCEUUZUAOGU-AWEZNQCLSA-N 1 2 358.479 1.917 20 10 FDCDLO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000093390713 671521717 /nfs/dbraw/zinc/52/17/17/671521717.db2.gz DHMWCEUUZUAOGU-AWEZNQCLSA-N 1 2 358.479 1.917 20 10 FDCDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093417062 671521797 /nfs/dbraw/zinc/52/17/97/671521797.db2.gz WNAKTEHJUKWCGL-CQSZACIVSA-N 1 2 358.479 1.917 20 10 FDCDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093417062 671521800 /nfs/dbraw/zinc/52/18/00/671521800.db2.gz WNAKTEHJUKWCGL-CQSZACIVSA-N 1 2 358.479 1.917 20 10 FDCDLO COC(=O)CC[N@@H+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000182124665 672207604 /nfs/dbraw/zinc/20/76/04/672207604.db2.gz PZSDBBNMJKASBL-GFCCVEGCSA-N 1 2 352.406 1.803 20 10 FDCDLO COC(=O)CC[N@H+]1CCN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000182124665 672207607 /nfs/dbraw/zinc/20/76/07/672207607.db2.gz PZSDBBNMJKASBL-GFCCVEGCSA-N 1 2 352.406 1.803 20 10 FDCDLO CNC(=O)CN1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000370206400 677552455 /nfs/dbraw/zinc/55/24/55/677552455.db2.gz NBDUQMYHJJNNDQ-UHFFFAOYSA-N 1 2 353.850 1.502 20 10 FDCDLO CNC(=O)CN1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000370206400 677552457 /nfs/dbraw/zinc/55/24/57/677552457.db2.gz NBDUQMYHJJNNDQ-UHFFFAOYSA-N 1 2 353.850 1.502 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000529663491 694791167 /nfs/dbraw/zinc/79/11/67/694791167.db2.gz CJXKFYNNNAFVPX-UHFFFAOYSA-N 1 2 357.813 1.355 20 10 FDCDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000529663491 694791169 /nfs/dbraw/zinc/79/11/69/694791169.db2.gz CJXKFYNNNAFVPX-UHFFFAOYSA-N 1 2 357.813 1.355 20 10 FDCDLO O=C(C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1)Nc1ccccc1 ZINC000274878369 770925904 /nfs/dbraw/zinc/92/59/04/770925904.db2.gz HJNUFJMRVYBUDG-UHFFFAOYSA-N 1 2 369.421 1.931 20 10 FDCDLO COc1cc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cc(OC)c1OC ZINC000281725082 792329506 /nfs/dbraw/zinc/32/95/06/792329506.db2.gz XKOALAOZCWHOEQ-UHFFFAOYSA-N 1 2 374.441 1.717 20 10 FDCDLO COc1cc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cc(OC)c1OC ZINC000281725082 792329520 /nfs/dbraw/zinc/32/95/20/792329520.db2.gz XKOALAOZCWHOEQ-UHFFFAOYSA-N 1 2 374.441 1.717 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNc3cc(N(C)C)nc[nH+]3)cc2)CC1 ZINC000893400998 800562104 /nfs/dbraw/zinc/56/21/04/800562104.db2.gz IXPJXFUQGDPTQR-UHFFFAOYSA-N 1 2 354.458 1.823 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNc3cc(N(C)C)[nH+]cn3)cc2)CC1 ZINC000893400998 800562109 /nfs/dbraw/zinc/56/21/09/800562109.db2.gz IXPJXFUQGDPTQR-UHFFFAOYSA-N 1 2 354.458 1.823 20 10 FDCDLO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000898358991 840996315 /nfs/dbraw/zinc/99/63/15/840996315.db2.gz LGVCXBYHTZHPCA-AAEUAGOBSA-N 1 2 373.247 1.694 20 10 FDCDLO COc1ccc(O)c(CNC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000907061856 853766421 /nfs/dbraw/zinc/76/64/21/853766421.db2.gz YHZIHTIWHDSOHE-UHFFFAOYSA-N 1 2 359.426 1.465 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3CO)ccc21 ZINC000912743956 860131481 /nfs/dbraw/zinc/13/14/81/860131481.db2.gz KBELLNOLLSSROT-QGZVFWFLSA-N 1 2 359.470 1.653 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)ccc21 ZINC000912743956 860131483 /nfs/dbraw/zinc/13/14/83/860131483.db2.gz KBELLNOLLSSROT-QGZVFWFLSA-N 1 2 359.470 1.653 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000766055238 882298414 /nfs/dbraw/zinc/29/84/14/882298414.db2.gz QOZPALFZGGVTSY-CYBMUJFWSA-N 1 2 358.460 1.104 20 10 FDCDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919908435 886391912 /nfs/dbraw/zinc/39/19/12/886391912.db2.gz HDUUGWKHVKDWNH-GOSISDBHSA-N 1 2 358.486 1.973 20 10 FDCDLO Cc1cc(N2CC=C(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC001089866070 897191165 /nfs/dbraw/zinc/19/11/65/897191165.db2.gz CFFFFRYNFWPFGV-CVEARBPZSA-N 1 2 371.485 1.673 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(C)n(C)n3)CC2)cc1 ZINC000742917232 926215226 /nfs/dbraw/zinc/21/52/26/926215226.db2.gz UMISJMWRKUWPOT-UHFFFAOYSA-N 1 2 357.458 1.289 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000806985219 940200399 /nfs/dbraw/zinc/20/03/99/940200399.db2.gz IFUPDKQYCWYMPN-UHFFFAOYSA-N 1 2 365.437 1.641 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000807101774 940250262 /nfs/dbraw/zinc/25/02/62/940250262.db2.gz BNKCRWAKDBTOEV-UHFFFAOYSA-N 1 2 369.469 1.807 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000807101774 940250266 /nfs/dbraw/zinc/25/02/66/940250266.db2.gz BNKCRWAKDBTOEV-UHFFFAOYSA-N 1 2 369.469 1.807 20 10 FDCDLO C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(N(C)C)cc1 ZINC000807679037 940454568 /nfs/dbraw/zinc/45/45/68/940454568.db2.gz MHWRNKMPPIJPBZ-YJBOKZPZSA-N 1 2 369.469 1.990 20 10 FDCDLO Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn2cc[nH+]c12 ZINC000818050797 943167634 /nfs/dbraw/zinc/16/76/34/943167634.db2.gz QSELHYGVAXJCRC-UHFFFAOYSA-N 1 2 360.395 1.972 20 10 FDCDLO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1Cl ZINC000824535943 946511216 /nfs/dbraw/zinc/51/12/16/946511216.db2.gz ZLQCUDZMYQJQSZ-UHFFFAOYSA-N 1 2 367.877 1.330 20 10 FDCDLO COc1ccc(N(C)CCN(C)c2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000845672035 949813571 /nfs/dbraw/zinc/81/35/71/949813571.db2.gz HFYCZLHCSHHNJT-UHFFFAOYSA-N 1 2 357.458 1.894 20 10 FDCDLO COc1ccc(N(C)CCN(C)c2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000845672035 949813595 /nfs/dbraw/zinc/81/35/95/949813595.db2.gz HFYCZLHCSHHNJT-UHFFFAOYSA-N 1 2 357.458 1.894 20 10 FDCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2S(=O)(=O)N(C)C)c1 ZINC000845972716 950246413 /nfs/dbraw/zinc/24/64/13/950246413.db2.gz SVBKRYKSPCCIEV-LLVKDONJSA-N 1 2 354.432 1.103 20 10 FDCDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)NS(C)(=O)=O ZINC000715739234 958411557 /nfs/dbraw/zinc/41/15/57/958411557.db2.gz XOXWRLMKBBKXTK-UHFFFAOYSA-N 1 2 369.256 1.711 20 10 FDCDLO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1=O ZINC001171691766 961279763 /nfs/dbraw/zinc/27/97/63/961279763.db2.gz UZEPMLZDAHDFEC-NSHDSACASA-N 1 2 350.371 1.406 20 10 FDCDLO CO[C@@H](C)C1CN(C(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184359879 963542239 /nfs/dbraw/zinc/54/22/39/963542239.db2.gz BUWLLNIVXIEZND-ZDUSSCGKSA-N 1 2 374.437 1.732 20 10 FDCDLO CO[C@@H](C)C1CN(C(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)C1 ZINC001184359879 963542243 /nfs/dbraw/zinc/54/22/43/963542243.db2.gz BUWLLNIVXIEZND-ZDUSSCGKSA-N 1 2 374.437 1.732 20 10 FDCDLO Cn1cccc1C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000853616669 968195809 /nfs/dbraw/zinc/19/58/09/968195809.db2.gz YKRVRKKNWANNMB-QGZVFWFLSA-N 1 2 357.410 1.115 20 10 FDCDLO C[NH+]1CCN(c2ncc(NC(=O)c3ccc(O)c(O)c3Cl)cn2)CC1 ZINC001193208658 969537315 /nfs/dbraw/zinc/53/73/15/969537315.db2.gz AHKQXMWFUNLXQF-UHFFFAOYSA-N 1 2 363.805 1.545 20 10 FDCDLO Oc1cccc(Br)c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862442246 984391222 /nfs/dbraw/zinc/39/12/22/984391222.db2.gz GVTFPFCKPNTZOQ-UHFFFAOYSA-N 1 2 350.220 1.662 20 10 FDCDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000369707550 989110333 /nfs/dbraw/zinc/11/03/33/989110333.db2.gz UGZVLKJFRVXJLW-AZUAARDMSA-N 1 2 361.486 1.639 20 10 FDCDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000369707550 989110337 /nfs/dbraw/zinc/11/03/37/989110337.db2.gz UGZVLKJFRVXJLW-AZUAARDMSA-N 1 2 361.486 1.639 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3ccc(S(N)(=O)=O)o3)CC2)cc1 ZINC000876630512 992755716 /nfs/dbraw/zinc/75/57/16/992755716.db2.gz AZBZAEYZIAMEHS-UHFFFAOYSA-N 1 2 365.455 1.648 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3ccc(S(N)(=O)=O)o3)CC2)cc1 ZINC000876630512 992755726 /nfs/dbraw/zinc/75/57/26/992755726.db2.gz AZBZAEYZIAMEHS-UHFFFAOYSA-N 1 2 365.455 1.648 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1O ZINC000879190255 994616142 /nfs/dbraw/zinc/61/61/42/994616142.db2.gz LNBZJFUKSSRFAL-INIZCTEOSA-N 1 2 374.416 1.862 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1O ZINC000879190255 994616149 /nfs/dbraw/zinc/61/61/49/994616149.db2.gz LNBZJFUKSSRFAL-INIZCTEOSA-N 1 2 374.416 1.862 20 10 FDCDLO COc1cccc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)c1O ZINC000924773798 994986075 /nfs/dbraw/zinc/98/60/75/994986075.db2.gz RPGQMNGBVSITTE-UHFFFAOYSA-N 1 2 350.444 1.918 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000082984121 524223112 /nfs/dbraw/zinc/22/31/12/524223112.db2.gz VPLNXIRZZFJKGL-FQEVSTJZSA-N 1 2 371.481 1.859 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)NCc3cccnc3)CC2)cc1F ZINC000084866143 524333556 /nfs/dbraw/zinc/33/35/56/524333556.db2.gz WBRIOVWQQZWDHA-UHFFFAOYSA-N 1 2 358.417 1.668 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000155891249 526000780 /nfs/dbraw/zinc/00/07/80/526000780.db2.gz PGUSWBBJFQYGKM-UHFFFAOYSA-N 1 2 372.435 1.939 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000155891249 526000791 /nfs/dbraw/zinc/00/07/91/526000791.db2.gz PGUSWBBJFQYGKM-UHFFFAOYSA-N 1 2 372.435 1.939 20 10 FDCDLO COC(=O)[C@@]1(F)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000267666798 536987959 /nfs/dbraw/zinc/98/79/59/536987959.db2.gz NTYZGDHEEJDVTO-GOSISDBHSA-N 1 2 351.422 1.298 20 10 FDCDLO COC(=O)[C@@]1(F)CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000267666798 536987962 /nfs/dbraw/zinc/98/79/62/536987962.db2.gz NTYZGDHEEJDVTO-GOSISDBHSA-N 1 2 351.422 1.298 20 10 FDCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000376198694 537845825 /nfs/dbraw/zinc/84/58/25/537845825.db2.gz KPXCIQZUXYVMTR-RYUDHWBXSA-N 1 2 362.386 1.225 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580486490 550987141 /nfs/dbraw/zinc/98/71/41/550987141.db2.gz GNPDFTDVULIGMX-UHFFFAOYSA-N 1 2 354.454 1.410 20 10 FDCDLO COc1cc(C[NH+]2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000120799024 671695633 /nfs/dbraw/zinc/69/56/33/671695633.db2.gz UABANARRMBUDFP-UHFFFAOYSA-N 1 2 356.488 1.776 20 10 FDCDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1c(F)ccc(O)c1O ZINC000294819576 676397432 /nfs/dbraw/zinc/39/74/32/676397432.db2.gz GPMVUILWJKLRKK-UHFFFAOYSA-N 1 2 350.350 1.018 20 10 FDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000785304171 805315494 /nfs/dbraw/zinc/31/54/94/805315494.db2.gz NEQCQXGGQFMSCL-LLVKDONJSA-N 1 2 354.366 1.431 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CCC(=O)[C@H]3C)CC2)cc1 ZINC000279749051 809060347 /nfs/dbraw/zinc/06/03/47/809060347.db2.gz YLGUOBCQANJIFD-DLBZAZTESA-N 1 2 373.497 1.939 20 10 FDCDLO Cc1nocc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000841496387 832042156 /nfs/dbraw/zinc/04/21/56/832042156.db2.gz NVNYKOWXLZNDHH-LCYFTJDESA-N 1 2 353.469 1.907 20 10 FDCDLO COc1ccc(N2CCN(C(=O)/C=C(/C)C[NH+]3CCOCC3)CC2)cc1 ZINC000899940028 846912066 /nfs/dbraw/zinc/91/20/66/846912066.db2.gz DORGYCJVWRCOJC-ICFOKQHNSA-N 1 2 359.470 1.622 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3cn(Cc4ncon4)nn3)CC2)cc1 ZINC000906258802 852740794 /nfs/dbraw/zinc/74/07/94/852740794.db2.gz XSDIXMYMEPYXEI-UHFFFAOYSA-N 1 2 369.429 1.430 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3cn(Cc4ncon4)nn3)CC2)cc1 ZINC000906258802 852740801 /nfs/dbraw/zinc/74/08/01/852740801.db2.gz XSDIXMYMEPYXEI-UHFFFAOYSA-N 1 2 369.429 1.430 20 10 FDCDLO CN(C)c1ccc([C@H](CNS(=O)(=O)CC2(N(C)C)CC2)[NH+](C)C)cc1 ZINC000908460728 855446529 /nfs/dbraw/zinc/44/65/29/855446529.db2.gz YLOPYZIHAPAMCG-KRWDZBQOSA-N 1 2 368.547 1.369 20 10 FDCDLO O=C(CNc1cccc[nH+]1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000909856085 856599333 /nfs/dbraw/zinc/59/93/33/856599333.db2.gz KUNLURFZKLVQPX-UHFFFAOYSA-N 1 2 362.380 1.925 20 10 FDCDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761108822 864109953 /nfs/dbraw/zinc/10/99/53/864109953.db2.gz DILWRLVDKBDPLV-HXUWFJFHSA-N 1 2 361.486 1.845 20 10 FDCDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000761108822 864109963 /nfs/dbraw/zinc/10/99/63/864109963.db2.gz DILWRLVDKBDPLV-HXUWFJFHSA-N 1 2 361.486 1.845 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000785438935 908207535 /nfs/dbraw/zinc/20/75/35/908207535.db2.gz HYDSLEFSWFDTEF-QGZVFWFLSA-N 1 2 355.442 1.429 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCOC[C@@H]1CC(C)C)cc2=O ZINC000733796637 922064221 /nfs/dbraw/zinc/06/42/21/922064221.db2.gz IZFXCJJCEAODGG-AWEZNQCLSA-N 1 2 362.430 1.859 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOC[C@@H]1CC(C)C)cc2=O ZINC000733796637 922064236 /nfs/dbraw/zinc/06/42/36/922064236.db2.gz IZFXCJJCEAODGG-AWEZNQCLSA-N 1 2 362.430 1.859 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCc3ccc(O)cc3C1)cc2=O ZINC000738320788 925156264 /nfs/dbraw/zinc/15/62/64/925156264.db2.gz QSCARXDGLGDYDO-UHFFFAOYSA-N 1 2 368.393 1.876 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCc3ccc(O)cc3C1)cc2=O ZINC000738320788 925156268 /nfs/dbraw/zinc/15/62/68/925156268.db2.gz QSCARXDGLGDYDO-UHFFFAOYSA-N 1 2 368.393 1.876 20 10 FDCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000789751576 933180298 /nfs/dbraw/zinc/18/02/98/933180298.db2.gz CNODPAZCLFYIOP-MRXNPFEDSA-N 1 2 371.485 1.893 20 10 FDCDLO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000809727442 940887609 /nfs/dbraw/zinc/88/76/09/940887609.db2.gz ZTVVAXILTROGGZ-GFCCVEGCSA-N 1 2 365.858 1.545 20 10 FDCDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000809725411 940892628 /nfs/dbraw/zinc/89/26/28/940892628.db2.gz RPSNKMBBAZZTAC-MRXNPFEDSA-N 1 2 367.515 1.379 20 10 FDCDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000809725411 940892631 /nfs/dbraw/zinc/89/26/31/940892631.db2.gz RPSNKMBBAZZTAC-MRXNPFEDSA-N 1 2 367.515 1.379 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000809968753 940927671 /nfs/dbraw/zinc/92/76/71/940927671.db2.gz HGRWNHOHZUFBRW-GOSISDBHSA-N 1 2 371.485 1.866 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000809968753 940927672 /nfs/dbraw/zinc/92/76/72/940927672.db2.gz HGRWNHOHZUFBRW-GOSISDBHSA-N 1 2 371.485 1.866 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000844726801 948335097 /nfs/dbraw/zinc/33/50/97/948335097.db2.gz WPKVOACBKGXQEM-LJQANCHMSA-N 1 2 360.458 1.741 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000844726801 948335101 /nfs/dbraw/zinc/33/51/01/948335101.db2.gz WPKVOACBKGXQEM-LJQANCHMSA-N 1 2 360.458 1.741 20 10 FDCDLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715802879 958480696 /nfs/dbraw/zinc/48/06/96/958480696.db2.gz CWIGQXSCYVQUON-MGCOHNPYSA-N 1 2 352.225 1.959 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N(C)Cc3ccon3)cc12 ZINC001184360172 963541288 /nfs/dbraw/zinc/54/12/88/963541288.db2.gz WTLZEAWCAYXJPB-UHFFFAOYSA-N 1 2 371.393 1.885 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N(C)Cc3ccon3)cc12 ZINC001184360172 963541295 /nfs/dbraw/zinc/54/12/95/963541295.db2.gz WTLZEAWCAYXJPB-UHFFFAOYSA-N 1 2 371.393 1.885 20 10 FDCDLO CCN(C)c1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000773730273 964153207 /nfs/dbraw/zinc/15/32/07/964153207.db2.gz OBJYHYDDPXGBDR-UHFFFAOYSA-N 1 2 358.486 1.409 20 10 FDCDLO C[NH+]1CCN(c2cc(NC(=O)c3ccc(O)c(O)c3Cl)ncn2)CC1 ZINC001193210250 969537463 /nfs/dbraw/zinc/53/74/63/969537463.db2.gz WPDJXZLVUDMYDA-UHFFFAOYSA-N 1 2 363.805 1.545 20 10 FDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cc(Br)ccc1O ZINC000868306877 977482715 /nfs/dbraw/zinc/48/27/15/977482715.db2.gz FWMGYSZBMWCQRN-UPHRSURJSA-N 1 2 355.232 1.659 20 10 FDCDLO NC(=O)C1(C[NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000882887664 981776899 /nfs/dbraw/zinc/77/68/99/981776899.db2.gz BTHQCPLGBQUHGA-UHFFFAOYSA-N 1 2 361.211 1.666 20 10 FDCDLO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883093612 981936975 /nfs/dbraw/zinc/93/69/75/981936975.db2.gz ANYMRMZHNWYOPZ-UHFFFAOYSA-N 1 2 367.240 1.275 20 10 FDCDLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(N2CCCCC2)cc1 ZINC000883302915 982058022 /nfs/dbraw/zinc/05/80/22/982058022.db2.gz KVZHFCIOJGYRLS-AWEZNQCLSA-N 1 2 354.458 1.863 20 10 FDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862550207 984409320 /nfs/dbraw/zinc/40/93/20/984409320.db2.gz CNESYRNHWCYNSE-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862550207 984409323 /nfs/dbraw/zinc/40/93/23/984409323.db2.gz CNESYRNHWCYNSE-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000362793270 988731470 /nfs/dbraw/zinc/73/14/70/988731470.db2.gz ZBANJVGPGGSANO-GOSISDBHSA-N 1 2 368.481 1.971 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297776321 989685697 /nfs/dbraw/zinc/68/56/97/989685697.db2.gz IMHXDXMTOZTXFA-UHFFFAOYSA-N 1 2 355.442 1.340 20 10 FDCDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c(O)c1 ZINC000876777540 992902526 /nfs/dbraw/zinc/90/25/26/992902526.db2.gz QMQXAXHELJDAAK-UHFFFAOYSA-N 1 2 351.428 1.336 20 10 FDCDLO CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(N)cc1 ZINC000877076716 993039180 /nfs/dbraw/zinc/03/91/80/993039180.db2.gz UFSDLDGZBLZCEJ-UHFFFAOYSA-N 1 2 367.453 1.756 20 10 FDCDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877364797 993249166 /nfs/dbraw/zinc/24/91/66/993249166.db2.gz NOFJZNUGBMLIJS-NSHDSACASA-N 1 2 352.341 1.886 20 10 FDCDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nn1 ZINC000877364797 993249171 /nfs/dbraw/zinc/24/91/71/993249171.db2.gz NOFJZNUGBMLIJS-NSHDSACASA-N 1 2 352.341 1.886 20 10 FDCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1S(C)(=O)=O ZINC000877631624 993394353 /nfs/dbraw/zinc/39/43/53/993394353.db2.gz SDDAEXIOQBNQAN-OAHLLOKOSA-N 1 2 367.515 1.113 20 10 FDCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1S(C)(=O)=O ZINC000877631624 993394361 /nfs/dbraw/zinc/39/43/61/993394361.db2.gz SDDAEXIOQBNQAN-OAHLLOKOSA-N 1 2 367.515 1.113 20 10 FDCDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000877694541 993447078 /nfs/dbraw/zinc/44/70/78/993447078.db2.gz CRTMZJGYEPRCAE-IBGZPJMESA-N 1 2 367.442 1.960 20 10 FDCDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000877694541 993447091 /nfs/dbraw/zinc/44/70/91/993447091.db2.gz CRTMZJGYEPRCAE-IBGZPJMESA-N 1 2 367.442 1.960 20 10 FDCDLO CCOC(=O)[C@@]1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877703941 993456714 /nfs/dbraw/zinc/45/67/14/993456714.db2.gz GSRHOFMEDPXYQO-HXUWFJFHSA-N 1 2 362.470 1.802 20 10 FDCDLO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877703941 993456721 /nfs/dbraw/zinc/45/67/21/993456721.db2.gz GSRHOFMEDPXYQO-HXUWFJFHSA-N 1 2 362.470 1.802 20 10 FDCDLO O=C(NCCn1cc[nH+]c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000079876679 1010708442 /nfs/dbraw/zinc/70/84/42/1010708442.db2.gz GETHQOJEENWHHT-UHFFFAOYSA-N 1 2 361.421 1.483 20 10 FDCDLO CN(C)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c[nH+]1 ZINC000055225575 523774141 /nfs/dbraw/zinc/77/41/41/523774141.db2.gz WCDNLJZRBLMQNS-UHFFFAOYSA-N 1 2 364.427 1.155 20 10 FDCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000298733839 537293645 /nfs/dbraw/zinc/29/36/45/537293645.db2.gz PALWGMBPVXEEBR-UHFFFAOYSA-N 1 2 358.442 1.876 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000278316907 537298043 /nfs/dbraw/zinc/29/80/43/537298043.db2.gz XQGSJLHTBHEBSG-CQSZACIVSA-N 1 2 365.386 1.132 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NCC3([NH+]4CCOCC4)CC3)ccc21 ZINC000277748026 537620209 /nfs/dbraw/zinc/62/02/09/537620209.db2.gz JRDJYDZIZVJKNW-UHFFFAOYSA-N 1 2 358.486 1.733 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000285447820 537713828 /nfs/dbraw/zinc/71/38/28/537713828.db2.gz ZIWVQOWPWMVLBI-UHFFFAOYSA-N 1 2 369.469 1.724 20 10 FDCDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093707806 671522166 /nfs/dbraw/zinc/52/21/66/671522166.db2.gz FAYPEKNZORKINT-UHFFFAOYSA-N 1 2 358.479 1.917 20 10 FDCDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093707806 671522169 /nfs/dbraw/zinc/52/21/69/671522169.db2.gz FAYPEKNZORKINT-UHFFFAOYSA-N 1 2 358.479 1.917 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000360143279 676862390 /nfs/dbraw/zinc/86/23/90/676862390.db2.gz WZHDWEXVCVWJHQ-SFHVURJKSA-N 1 2 365.499 1.742 20 10 FDCDLO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2SC(=N)NC2=O)[NH+](C)C)cc1 ZINC000891255257 774167979 /nfs/dbraw/zinc/16/79/79/774167979.db2.gz OBHHLQYUEASZTM-KBPBESRZSA-N 1 2 363.487 1.028 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)c1O ZINC000895265424 822356854 /nfs/dbraw/zinc/35/68/54/822356854.db2.gz OSPZECLAKHTNHC-UHFFFAOYSA-N 1 2 351.838 1.799 20 10 FDCDLO CN1C(=O)[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)C[C@H]2C1=O ZINC000895456213 822607796 /nfs/dbraw/zinc/60/77/96/822607796.db2.gz DTQGPEYUIDXOQU-AOOOYVTPSA-N 1 2 357.179 1.340 20 10 FDCDLO C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302407739 827714706 /nfs/dbraw/zinc/71/47/06/827714706.db2.gz HSYQHFXUKABOJL-CQSZACIVSA-N 1 2 354.458 1.994 20 10 FDCDLO C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302407739 827714710 /nfs/dbraw/zinc/71/47/10/827714710.db2.gz HSYQHFXUKABOJL-CQSZACIVSA-N 1 2 354.458 1.994 20 10 FDCDLO Cn1cc([C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[NH2+]2)cn1 ZINC000913457029 862090471 /nfs/dbraw/zinc/09/04/71/862090471.db2.gz VUAMAGVQPSWMNX-GFCCVEGCSA-N 1 2 358.423 1.833 20 10 FDCDLO COc1cc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc(OC)c1OC ZINC000907371495 854115528 /nfs/dbraw/zinc/11/55/28/854115528.db2.gz ZBLJLJLOGUBXMY-UHFFFAOYSA-N 1 2 360.414 1.327 20 10 FDCDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910931638 857880918 /nfs/dbraw/zinc/88/09/18/857880918.db2.gz PMIYWZZCGLFKOI-QWRGUYRKSA-N 1 2 350.440 1.840 20 10 FDCDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910931638 857880922 /nfs/dbraw/zinc/88/09/22/857880922.db2.gz PMIYWZZCGLFKOI-QWRGUYRKSA-N 1 2 350.440 1.840 20 10 FDCDLO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001089069877 866487751 /nfs/dbraw/zinc/48/77/51/866487751.db2.gz CLGZWFWEEBRSBK-WBMJQRKESA-N 1 2 369.429 1.975 20 10 FDCDLO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1Cc1ccn(C)n1 ZINC001089069877 866487757 /nfs/dbraw/zinc/48/77/57/866487757.db2.gz CLGZWFWEEBRSBK-WBMJQRKESA-N 1 2 369.429 1.975 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000785424919 902387814 /nfs/dbraw/zinc/38/78/14/902387814.db2.gz WRJLOGMTCQZDOF-GOSISDBHSA-N 1 2 368.437 1.444 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000742919090 926214872 /nfs/dbraw/zinc/21/48/72/926214872.db2.gz CNMHIRDHJKWJIV-UHFFFAOYSA-N 1 2 369.469 1.459 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)CC2)cc1 ZINC000791559542 934061968 /nfs/dbraw/zinc/06/19/68/934061968.db2.gz SZCYHDNAOSOGLY-UZLBHIALSA-N 1 2 373.497 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@H](C4CC4)C3)CC2)cc1 ZINC000791559542 934061979 /nfs/dbraw/zinc/06/19/79/934061979.db2.gz SZCYHDNAOSOGLY-UZLBHIALSA-N 1 2 373.497 1.843 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000807101142 940250044 /nfs/dbraw/zinc/25/00/44/940250044.db2.gz VBJSGGHXRUSGTB-INIZCTEOSA-N 1 2 369.469 1.807 20 10 FDCDLO CCS(=O)(=O)N1CC[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000809724837 940892435 /nfs/dbraw/zinc/89/24/35/940892435.db2.gz BDBFBVCLWKFBSI-GFCCVEGCSA-N 1 2 358.460 1.265 20 10 FDCDLO CCS(=O)(=O)N1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000809724837 940892439 /nfs/dbraw/zinc/89/24/39/940892439.db2.gz BDBFBVCLWKFBSI-GFCCVEGCSA-N 1 2 358.460 1.265 20 10 FDCDLO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001135556025 942185880 /nfs/dbraw/zinc/18/58/80/942185880.db2.gz JOFRSRVMIKFZMS-UHFFFAOYSA-N 1 2 356.422 1.864 20 10 FDCDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824808878 946781079 /nfs/dbraw/zinc/78/10/79/946781079.db2.gz NOEVZKQEMPSNGU-LBPRGKRZSA-N 1 2 363.277 1.668 20 10 FDCDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824808878 946781086 /nfs/dbraw/zinc/78/10/86/946781086.db2.gz NOEVZKQEMPSNGU-LBPRGKRZSA-N 1 2 363.277 1.668 20 10 FDCDLO Nc1nsc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000824920214 946875482 /nfs/dbraw/zinc/87/54/82/946875482.db2.gz HZRKLPYXETXWMJ-UHFFFAOYSA-N 1 2 370.276 1.911 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000825213556 947049205 /nfs/dbraw/zinc/04/92/05/947049205.db2.gz AGQBBLHOCZDDCR-HUUCEWRRSA-N 1 2 356.426 1.879 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c(OC)c1 ZINC000825213556 947049215 /nfs/dbraw/zinc/04/92/15/947049215.db2.gz AGQBBLHOCZDDCR-HUUCEWRRSA-N 1 2 356.426 1.879 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)C[C@@H](C)n1cc[nH+]c1)cc2=O ZINC000845281848 948951815 /nfs/dbraw/zinc/95/18/15/948951815.db2.gz RXQHSIKJEYFEER-LLVKDONJSA-N 1 2 373.369 1.503 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)C[C@H](C)n1cc[nH+]c1)cc2=O ZINC000845281849 948952079 /nfs/dbraw/zinc/95/20/79/948952079.db2.gz RXQHSIKJEYFEER-NSHDSACASA-N 1 2 373.369 1.503 20 10 FDCDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144510444 949792675 /nfs/dbraw/zinc/79/26/75/949792675.db2.gz YYAJWLXOBWFIRG-OAHLLOKOSA-N 1 2 360.414 1.551 20 10 FDCDLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144510444 949792676 /nfs/dbraw/zinc/79/26/76/949792676.db2.gz YYAJWLXOBWFIRG-OAHLLOKOSA-N 1 2 360.414 1.551 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3CCOC[C@@H]3C)cc12 ZINC001184361097 963542083 /nfs/dbraw/zinc/54/20/83/963542083.db2.gz VOKZWMZZNBATME-BBRMVZONSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3CCOC[C@@H]3C)cc12 ZINC001184361097 963542087 /nfs/dbraw/zinc/54/20/87/963542087.db2.gz VOKZWMZZNBATME-BBRMVZONSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3C[C@@H](C)OC[C@@H]3C)cc12 ZINC001184362206 963543941 /nfs/dbraw/zinc/54/39/41/963543941.db2.gz WYRDEQGVNBOUEC-UONOGXRCSA-N 1 2 374.437 1.875 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3C[C@@H](C)OC[C@@H]3C)cc12 ZINC001184362206 963543944 /nfs/dbraw/zinc/54/39/44/963543944.db2.gz WYRDEQGVNBOUEC-UONOGXRCSA-N 1 2 374.437 1.875 20 10 FDCDLO O=S(=O)(CCn1cc[nH+]c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000881912696 980286490 /nfs/dbraw/zinc/28/64/90/980286490.db2.gz MMEGWQUOBQQZNG-MRXNPFEDSA-N 1 2 365.455 1.600 20 10 FDCDLO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2O)C1 ZINC000883105062 981949303 /nfs/dbraw/zinc/94/93/03/981949303.db2.gz WUXIGSJQVAXUQR-MRVPVSSYSA-N 1 2 362.611 1.528 20 10 FDCDLO CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1O)CS(N)(=O)=O ZINC000883199975 982010007 /nfs/dbraw/zinc/01/00/07/982010007.db2.gz WMDLHIWWNLSGIP-UHFFFAOYSA-N 1 2 369.256 1.698 20 10 FDCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000862442928 984391324 /nfs/dbraw/zinc/39/13/24/984391324.db2.gz LIDNUDGMCBNIOF-UHFFFAOYSA-N 1 2 364.247 1.970 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)/C=C\C[NH+]3CCOCC3)C2)cc1 ZINC000868955133 984723335 /nfs/dbraw/zinc/72/33/35/984723335.db2.gz IZJZFEIHFHIIDA-BAHPRDJBSA-N 1 2 359.470 1.526 20 10 FDCDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876771835 992894234 /nfs/dbraw/zinc/89/42/34/992894234.db2.gz AGSASJDUUZDHEL-UHFFFAOYSA-N 1 2 360.502 1.029 20 10 FDCDLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3O)CC2)cn1C ZINC000876784706 992912581 /nfs/dbraw/zinc/91/25/81/992912581.db2.gz LZDVSDOGEXSSGE-UHFFFAOYSA-N 1 2 364.471 1.249 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930206463 1002927074 /nfs/dbraw/zinc/92/70/74/1002927074.db2.gz XRIYZCFMRMTSOA-UXHICEINSA-N 1 2 373.497 1.783 20 10 FDCDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000779559068 1010112952 /nfs/dbraw/zinc/11/29/52/1010112952.db2.gz XTFVFYITTARFRG-MRXNPFEDSA-N 1 2 367.409 1.657 20 10 FDCDLO CCc1nc(CN2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)no1 ZINC000079464576 523753267 /nfs/dbraw/zinc/75/32/67/523753267.db2.gz GBCLMVHUSDYMSC-UHFFFAOYSA-N 1 2 362.405 1.997 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120361599 526039120 /nfs/dbraw/zinc/03/91/20/526039120.db2.gz BLCDNTKSEGUALL-AWEZNQCLSA-N 1 2 356.419 1.390 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000120361599 526039130 /nfs/dbraw/zinc/03/91/30/526039130.db2.gz BLCDNTKSEGUALL-AWEZNQCLSA-N 1 2 356.419 1.390 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247456918 537121141 /nfs/dbraw/zinc/12/11/41/537121141.db2.gz UBHPJEAIIAKTTE-RTBURBONSA-N 1 2 361.486 1.591 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247456918 537121143 /nfs/dbraw/zinc/12/11/43/537121143.db2.gz UBHPJEAIIAKTTE-RTBURBONSA-N 1 2 361.486 1.591 20 10 FDCDLO COc1cc([N+](=O)[O-])c(N2CC[NH+](CC(=O)NC3CC3)CC2)cc1OC ZINC000271018289 537395378 /nfs/dbraw/zinc/39/53/78/537395378.db2.gz ITRLMICUBCRECY-UHFFFAOYSA-N 1 2 364.402 1.013 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368628145 537984277 /nfs/dbraw/zinc/98/42/77/537984277.db2.gz ZONXHPPSNBJKIE-MRXNPFEDSA-N 1 2 358.486 1.882 20 10 FDCDLO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N=c2ccc(=O)[nH][nH]2)C1 ZINC000568586046 548594613 /nfs/dbraw/zinc/59/46/13/548594613.db2.gz JCDAYINZRLAZPP-UHFFFAOYSA-N 1 2 365.437 2.542 20 10 FDCDLO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N=c2ccc(=O)[nH][nH]2)C1 ZINC000568586046 548594617 /nfs/dbraw/zinc/59/46/17/548594617.db2.gz JCDAYINZRLAZPP-UHFFFAOYSA-N 1 2 365.437 2.542 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000274602954 768895784 /nfs/dbraw/zinc/89/57/84/768895784.db2.gz LUEBUCMINOPAOY-HXUWFJFHSA-N 1 2 373.497 1.640 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000274602954 768895802 /nfs/dbraw/zinc/89/58/02/768895802.db2.gz LUEBUCMINOPAOY-HXUWFJFHSA-N 1 2 373.497 1.640 20 10 FDCDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000276590504 778312120 /nfs/dbraw/zinc/31/21/20/778312120.db2.gz NCNXULPBDYGRBT-UHFFFAOYSA-N 1 2 356.470 1.878 20 10 FDCDLO C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)CN1CC[NH+](C)CC1 ZINC000893238583 794132886 /nfs/dbraw/zinc/13/28/86/794132886.db2.gz UQNZJTWJBGNPDQ-ZDUSSCGKSA-N 1 2 354.882 1.728 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCCO)Cc2ccccn2)cc1 ZINC000280947886 825833910 /nfs/dbraw/zinc/83/39/10/825833910.db2.gz IKPFJPFWXNTSGG-UHFFFAOYSA-N 1 2 370.497 1.991 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000280947886 825833924 /nfs/dbraw/zinc/83/39/24/825833924.db2.gz IKPFJPFWXNTSGG-UHFFFAOYSA-N 1 2 370.497 1.991 20 10 FDCDLO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4ccncc4)CC3)cc2N1 ZINC000301607117 827661002 /nfs/dbraw/zinc/66/10/02/827661002.db2.gz NOQKGYLLCBWPAC-UHFFFAOYSA-N 1 2 369.381 1.643 20 10 FDCDLO NC(=O)CN1C(=O)/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783694080 831299162 /nfs/dbraw/zinc/29/91/62/831299162.db2.gz WNHXVWIHXRBJLI-ONNFQVAWSA-N 1 2 350.450 1.620 20 10 FDCDLO Cc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c(C)n1-c1ccccn1 ZINC000899056032 845682544 /nfs/dbraw/zinc/68/25/44/845682544.db2.gz YEBKEFJZTNCARY-UHFFFAOYSA-N 1 2 370.453 1.668 20 10 FDCDLO Cc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c(C)n1-c1ccccn1 ZINC000899056032 845682547 /nfs/dbraw/zinc/68/25/47/845682547.db2.gz YEBKEFJZTNCARY-UHFFFAOYSA-N 1 2 370.453 1.668 20 10 FDCDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473182 846276034 /nfs/dbraw/zinc/27/60/34/846276034.db2.gz OYNYFAXHXXMIRA-UHFFFAOYSA-N 1 2 369.469 1.371 20 10 FDCDLO COc1cccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1O ZINC000737284039 924995852 /nfs/dbraw/zinc/99/58/52/924995852.db2.gz KGPGPMIWKHQALB-UHFFFAOYSA-N 1 2 366.377 1.841 20 10 FDCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccccc1O ZINC000770265751 929935365 /nfs/dbraw/zinc/93/53/65/929935365.db2.gz NGKDVMKOTCJCLS-UHFFFAOYSA-N 1 2 370.409 1.187 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986857 931701194 /nfs/dbraw/zinc/70/11/94/931701194.db2.gz ZODMILVQUNIIPC-SNVBAGLBSA-N 1 2 365.249 1.026 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986857 931701200 /nfs/dbraw/zinc/70/12/00/931701200.db2.gz ZODMILVQUNIIPC-SNVBAGLBSA-N 1 2 365.249 1.026 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000807676956 940453983 /nfs/dbraw/zinc/45/39/83/940453983.db2.gz KDZJMCFTFMJBQI-OAHLLOKOSA-N 1 2 357.458 1.675 20 10 FDCDLO COc1cccc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1O ZINC000810328223 940973825 /nfs/dbraw/zinc/97/38/25/940973825.db2.gz KADAYZPLLJAHSK-HNNXBMFYSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1cccc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1O ZINC000810328223 940973826 /nfs/dbraw/zinc/97/38/26/940973826.db2.gz KADAYZPLLJAHSK-HNNXBMFYSA-N 1 2 374.441 1.514 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000817706065 942900883 /nfs/dbraw/zinc/90/08/83/942900883.db2.gz OHAGUNZWDBQZRW-HZPDHXFCSA-N 1 2 371.485 1.510 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3[C@@H](C)CC[C@H]3CO)cc12 ZINC001184356254 963540284 /nfs/dbraw/zinc/54/02/84/963540284.db2.gz DRGFCHVUQJZQKR-ZFWWWQNUSA-N 1 2 374.437 1.611 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3[C@@H](C)CC[C@H]3CO)cc12 ZINC001184356254 963540290 /nfs/dbraw/zinc/54/02/90/963540290.db2.gz DRGFCHVUQJZQKR-ZFWWWQNUSA-N 1 2 374.437 1.611 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3C[C@@](C)(O)C3)cc12 ZINC001184362322 963543245 /nfs/dbraw/zinc/54/32/45/963543245.db2.gz PSOSURSTYCZKOS-XVDXERDNSA-N 1 2 360.410 1.268 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3C[C@@](C)(O)C3)cc12 ZINC001184362322 963543251 /nfs/dbraw/zinc/54/32/51/963543251.db2.gz PSOSURSTYCZKOS-XVDXERDNSA-N 1 2 360.410 1.268 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(O)ccc1O ZINC001176755678 963546703 /nfs/dbraw/zinc/54/67/03/963546703.db2.gz SHINPVLPAITPDW-HNNXBMFYSA-N 1 2 360.414 1.211 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(O)ccc1O ZINC001176755678 963546709 /nfs/dbraw/zinc/54/67/09/963546709.db2.gz SHINPVLPAITPDW-HNNXBMFYSA-N 1 2 360.414 1.211 20 10 FDCDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc[nH+]1 ZINC000853955394 968466874 /nfs/dbraw/zinc/46/68/74/968466874.db2.gz MXYLJGRNSLAJNX-AWEZNQCLSA-N 1 2 357.458 1.843 20 10 FDCDLO C[C@H](O)CNc1cc(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]cn1 ZINC000853955394 968466883 /nfs/dbraw/zinc/46/68/83/968466883.db2.gz MXYLJGRNSLAJNX-AWEZNQCLSA-N 1 2 357.458 1.843 20 10 FDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864930567 973954461 /nfs/dbraw/zinc/95/44/61/973954461.db2.gz DJWIYMKYEVMGPU-UPHRSURJSA-N 1 2 363.433 1.167 20 10 FDCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000867832425 976958692 /nfs/dbraw/zinc/95/86/92/976958692.db2.gz MPGBOEDDXXTXMD-DJWKRKHSSA-N 1 2 355.232 1.659 20 10 FDCDLO C[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1O ZINC000868131018 977310244 /nfs/dbraw/zinc/31/02/44/977310244.db2.gz WHPRLQNLXBNGQO-RDTXWAMCSA-N 1 2 365.499 1.960 20 10 FDCDLO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc(Br)c1O ZINC000858293014 981967870 /nfs/dbraw/zinc/96/78/70/981967870.db2.gz QEKYPXULOWPBOM-UHFFFAOYSA-N 1 2 359.220 1.314 20 10 FDCDLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000871543575 987114781 /nfs/dbraw/zinc/11/47/81/987114781.db2.gz SXEAOMUPHITFOU-UHFFFAOYSA-N 1 2 364.442 1.942 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875119122 990921618 /nfs/dbraw/zinc/92/16/18/990921618.db2.gz ZMBOBOZGASZJNV-AWEZNQCLSA-N 1 2 359.405 1.283 20 10 FDCDLO C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(N2CCOCC2)cc1 ZINC000875156787 990977554 /nfs/dbraw/zinc/97/75/54/990977554.db2.gz CNVSEKQGMRCITR-ZBFHGGJFSA-N 1 2 355.442 1.705 20 10 FDCDLO C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(N2CCOCC2)cc1 ZINC000875156782 990977969 /nfs/dbraw/zinc/97/79/69/990977969.db2.gz CNVSEKQGMRCITR-HOCLYGCPSA-N 1 2 355.442 1.705 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000283448258 999754399 /nfs/dbraw/zinc/75/43/99/999754399.db2.gz KGOQYOYKVNUGNV-INIZCTEOSA-N 1 2 367.453 1.159 20 10 FDCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287360519 999956898 /nfs/dbraw/zinc/95/68/98/999956898.db2.gz YFCCCZYYAIGNBH-HOCLYGCPSA-N 1 2 364.465 1.896 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777670149 1001374631 /nfs/dbraw/zinc/37/46/31/1001374631.db2.gz LGBCLEZHNYYHEK-KRWDZBQOSA-N 1 2 369.469 1.876 20 10 FDCDLO COc1cccc(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1O ZINC000073964619 522646894 /nfs/dbraw/zinc/64/68/94/522646894.db2.gz XHLIGMCOMKWAHZ-UHFFFAOYSA-N 1 2 353.382 1.981 20 10 FDCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172764817 524271107 /nfs/dbraw/zinc/27/11/07/524271107.db2.gz PNJKRGKUFVHWQG-SQZHUTIHSA-N 1 2 371.481 1.470 20 10 FDCDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022451 524387518 /nfs/dbraw/zinc/38/75/18/524387518.db2.gz ASQIMBAOEPSWSR-BXUZGUMPSA-N 1 2 374.890 1.559 20 10 FDCDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O ZINC000158022451 524387528 /nfs/dbraw/zinc/38/75/28/524387528.db2.gz ASQIMBAOEPSWSR-BXUZGUMPSA-N 1 2 374.890 1.559 20 10 FDCDLO COc1ccc(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1F ZINC000177070318 525231576 /nfs/dbraw/zinc/23/15/76/525231576.db2.gz ACMPMKINLLIRBF-UHFFFAOYSA-N 1 2 353.438 1.498 20 10 FDCDLO O=S1(=O)CCN(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)CC1 ZINC000191940575 537215474 /nfs/dbraw/zinc/21/54/74/537215474.db2.gz CTYPASWGWAVPLC-UHFFFAOYSA-N 1 2 358.891 1.740 20 10 FDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000364058974 537389667 /nfs/dbraw/zinc/38/96/67/537389667.db2.gz YCHQBPCOERZTGA-UHFFFAOYSA-N 1 2 373.413 1.927 20 10 FDCDLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000195314186 537396869 /nfs/dbraw/zinc/39/68/69/537396869.db2.gz FWABJVVQDBWFKB-CALCHBBNSA-N 1 2 362.518 1.410 20 10 FDCDLO C[C@@H]1C[N@H+](CCN(C)CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000195314186 537396873 /nfs/dbraw/zinc/39/68/73/537396873.db2.gz FWABJVVQDBWFKB-CALCHBBNSA-N 1 2 362.518 1.410 20 10 FDCDLO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891480607 778105837 /nfs/dbraw/zinc/10/58/37/778105837.db2.gz BYNJLHJAOMJTDF-OAHLLOKOSA-N 1 2 350.415 1.233 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@H]3CO)cc2F)C[C@@H](C)O1 ZINC000934025978 780625496 /nfs/dbraw/zinc/62/54/96/780625496.db2.gz IMYXLKUCWQCGND-FMKPAKJESA-N 1 2 365.449 1.122 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@H]3CO)cc2F)C[C@@H](C)O1 ZINC000934025978 780625504 /nfs/dbraw/zinc/62/55/04/780625504.db2.gz IMYXLKUCWQCGND-FMKPAKJESA-N 1 2 365.449 1.122 20 10 FDCDLO O=C(c1cccc(O)c1O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000363994687 794882105 /nfs/dbraw/zinc/88/21/05/794882105.db2.gz OFBRLCDPRDLXQH-UHFFFAOYSA-N 1 2 359.426 1.452 20 10 FDCDLO O=C1NC(=O)C2(CC[NH+](Cc3cc(Br)cc(F)c3O)CC2)N1 ZINC000894421351 818037882 /nfs/dbraw/zinc/03/78/82/818037882.db2.gz DNJCFKNJEIOQGE-UHFFFAOYSA-N 1 2 372.194 1.468 20 10 FDCDLO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895688446 822699168 /nfs/dbraw/zinc/69/91/68/822699168.db2.gz QZZNVTFQFZBLPI-MRXNPFEDSA-N 1 2 353.894 1.932 20 10 FDCDLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897237563 827268898 /nfs/dbraw/zinc/26/88/98/827268898.db2.gz LUZPEMSAKNJDAV-GFCCVEGCSA-N 1 2 350.440 1.841 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000916623177 881839883 /nfs/dbraw/zinc/83/98/83/881839883.db2.gz HWHGVVOEXQJVJQ-MRXNPFEDSA-N 1 2 357.458 1.950 20 10 FDCDLO CN(C)c1cc(F)c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1F ZINC000922492984 878356298 /nfs/dbraw/zinc/35/62/98/878356298.db2.gz JRDNRZHKZCXWAN-UHFFFAOYSA-N 1 2 369.459 1.178 20 10 FDCDLO C[C@@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(N(C)C)cc1 ZINC000807677173 940453935 /nfs/dbraw/zinc/45/39/35/940453935.db2.gz MEIGDRKOQQFRSH-GDBMZVCRSA-N 1 2 369.469 1.679 20 10 FDCDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824877715 946862203 /nfs/dbraw/zinc/86/22/03/946862203.db2.gz WTMDGZBLWVXHJJ-UHFFFAOYSA-N 1 2 356.264 1.536 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000824983596 946921798 /nfs/dbraw/zinc/92/17/98/946921798.db2.gz ZGGLFLOBUVKTKC-MRXNPFEDSA-N 1 2 370.427 1.710 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000824983596 946921801 /nfs/dbraw/zinc/92/18/01/946921801.db2.gz ZGGLFLOBUVKTKC-MRXNPFEDSA-N 1 2 370.427 1.710 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)cc1F ZINC000844134863 947788487 /nfs/dbraw/zinc/78/84/87/947788487.db2.gz KOFGUQDPFIGVBR-CQSZACIVSA-N 1 2 358.417 1.942 20 10 FDCDLO CCCN1C(=O)C(=O)N(C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726418 948333435 /nfs/dbraw/zinc/33/34/35/948333435.db2.gz VOAJWVLELXEOKU-UHFFFAOYSA-N 1 2 362.430 1.222 20 10 FDCDLO CCCN1C(=O)C(=O)N(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726418 948333444 /nfs/dbraw/zinc/33/34/44/948333444.db2.gz VOAJWVLELXEOKU-UHFFFAOYSA-N 1 2 362.430 1.222 20 10 FDCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2S(=O)(=O)N(C)C)c1 ZINC000845972718 950246595 /nfs/dbraw/zinc/24/65/95/950246595.db2.gz SVBKRYKSPCCIEV-NSHDSACASA-N 1 2 354.432 1.103 20 10 FDCDLO COCCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000846117464 950515239 /nfs/dbraw/zinc/51/52/39/950515239.db2.gz QIAIVAFXOMYLAO-UHFFFAOYSA-N 1 2 369.418 1.090 20 10 FDCDLO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)c1cc(O)c(O)c(O)c1)CC2 ZINC001148583351 952757694 /nfs/dbraw/zinc/75/76/94/952757694.db2.gz ZOCLDTIECHGLPI-UHFFFAOYSA-N 1 2 374.441 1.841 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCCO[C@H](C)C3)cc12 ZINC001184355062 963559211 /nfs/dbraw/zinc/55/92/11/963559211.db2.gz OPHDXYHIUKRVFR-CQSZACIVSA-N 1 2 374.437 1.876 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCCO[C@H](C)C3)cc12 ZINC001184355062 963559218 /nfs/dbraw/zinc/55/92/18/963559218.db2.gz OPHDXYHIUKRVFR-CQSZACIVSA-N 1 2 374.437 1.876 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCO[C@@](C)(C3CC3)C1)cc2=O ZINC000852322306 967222227 /nfs/dbraw/zinc/22/22/27/967222227.db2.gz GVTOXOQLRPGZAT-GOSISDBHSA-N 1 2 360.414 1.613 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCO[C@@](C)(C3CC3)C1)cc2=O ZINC000852322306 967222244 /nfs/dbraw/zinc/22/22/44/967222244.db2.gz GVTOXOQLRPGZAT-GOSISDBHSA-N 1 2 360.414 1.613 20 10 FDCDLO O=C1NC(=S)S/C1=C/c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000864362702 973518034 /nfs/dbraw/zinc/51/80/34/973518034.db2.gz JJKWCBDHLZHITE-SDNWHVSQSA-N 1 2 350.465 1.886 20 10 FDCDLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000851733432 979021296 /nfs/dbraw/zinc/02/12/96/979021296.db2.gz VONZFTNOZXFJKY-QGZVFWFLSA-N 1 2 364.442 1.702 20 10 FDCDLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000851733432 979021299 /nfs/dbraw/zinc/02/12/99/979021299.db2.gz VONZFTNOZXFJKY-QGZVFWFLSA-N 1 2 364.442 1.702 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000859891312 983066460 /nfs/dbraw/zinc/06/64/60/983066460.db2.gz PQCCHQSIEDIKHR-KRWDZBQOSA-N 1 2 355.442 1.702 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000859891312 983066466 /nfs/dbraw/zinc/06/64/66/983066466.db2.gz PQCCHQSIEDIKHR-KRWDZBQOSA-N 1 2 355.442 1.702 20 10 FDCDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000360121745 987949574 /nfs/dbraw/zinc/94/95/74/987949574.db2.gz CRICKHWENWEHHY-UHFFFAOYSA-N 1 2 368.481 1.988 20 10 FDCDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000360121745 987949577 /nfs/dbraw/zinc/94/95/77/987949577.db2.gz CRICKHWENWEHHY-UHFFFAOYSA-N 1 2 368.481 1.988 20 10 FDCDLO CC(C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1COC1 ZINC000295263486 988644553 /nfs/dbraw/zinc/64/45/53/988644553.db2.gz BVIKSPPASRVTMB-UHFFFAOYSA-N 1 2 365.449 1.388 20 10 FDCDLO CC(C)[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1COC1 ZINC000295263486 988644556 /nfs/dbraw/zinc/64/45/56/988644556.db2.gz BVIKSPPASRVTMB-UHFFFAOYSA-N 1 2 365.449 1.388 20 10 FDCDLO COc1ccc(N2CCC(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)CC2)cc1 ZINC000875210099 991087367 /nfs/dbraw/zinc/08/73/67/991087367.db2.gz FAQSGSFAQPEZTO-OAHLLOKOSA-N 1 2 355.442 1.785 20 10 FDCDLO CS(=O)(=O)CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876784203 992912263 /nfs/dbraw/zinc/91/22/63/992912263.db2.gz AGAXYTBVWMOMJP-UHFFFAOYSA-N 1 2 352.500 1.657 20 10 FDCDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876784203 992912271 /nfs/dbraw/zinc/91/22/71/992912271.db2.gz AGAXYTBVWMOMJP-UHFFFAOYSA-N 1 2 352.500 1.657 20 10 FDCDLO COC1CCN(c2ccc(C[NH+]3CCN(Cc4nc[nH]n4)CC3)cc2)CC1 ZINC000878810498 994252513 /nfs/dbraw/zinc/25/25/13/994252513.db2.gz GFPALMMQJCSPOH-UHFFFAOYSA-N 1 2 370.501 1.738 20 10 FDCDLO COC1CCN(c2ccc(C[NH+]3CCN(Cc4nnc[nH]4)CC3)cc2)CC1 ZINC000878810498 994252523 /nfs/dbraw/zinc/25/25/23/994252523.db2.gz GFPALMMQJCSPOH-UHFFFAOYSA-N 1 2 370.501 1.738 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1 ZINC000878874476 994312100 /nfs/dbraw/zinc/31/21/00/994312100.db2.gz KMYGWYSSXGTQHV-GOSISDBHSA-N 1 2 373.501 1.452 20 10 FDCDLO CCCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c(O)c1 ZINC000271094776 999660537 /nfs/dbraw/zinc/66/05/37/999660537.db2.gz KMHJQIYVIUHCBW-UHFFFAOYSA-N 1 2 361.442 1.104 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000932437249 1004958102 /nfs/dbraw/zinc/95/81/02/1004958102.db2.gz LQOSIRVTVKTCPN-KRWDZBQOSA-N 1 2 360.502 1.748 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000932437249 1004958108 /nfs/dbraw/zinc/95/81/08/1004958108.db2.gz LQOSIRVTVKTCPN-KRWDZBQOSA-N 1 2 360.502 1.748 20 10 FDCDLO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000779480370 1009624537 /nfs/dbraw/zinc/62/45/37/1009624537.db2.gz SVYKVMIIVOHMDE-VEXQSBSHSA-N 1 2 364.467 1.435 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000038425436 519634519 /nfs/dbraw/zinc/63/45/19/519634519.db2.gz XVIZMKGIGJUMPE-UHFFFAOYSA-N 1 2 353.470 1.586 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000089968382 524565007 /nfs/dbraw/zinc/56/50/07/524565007.db2.gz XNNJWMWMZRFTMS-UHFFFAOYSA-N 1 2 359.392 1.758 20 10 FDCDLO CC(C)OCCS(=O)(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180252190 525679161 /nfs/dbraw/zinc/67/91/61/525679161.db2.gz NJXOMYIUZSZFKJ-UHFFFAOYSA-N 1 2 360.451 1.404 20 10 FDCDLO O=C(CCc1nnc[nH]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265721 526142008 /nfs/dbraw/zinc/14/20/08/526142008.db2.gz ZNYGCURLRKUFKI-AWEZNQCLSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1nnc[nH]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265721 526142015 /nfs/dbraw/zinc/14/20/15/526142015.db2.gz ZNYGCURLRKUFKI-AWEZNQCLSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1nc[nH]n1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265721 526142021 /nfs/dbraw/zinc/14/20/21/526142021.db2.gz ZNYGCURLRKUFKI-AWEZNQCLSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1nc[nH]n1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134265721 526142028 /nfs/dbraw/zinc/14/20/28/526142028.db2.gz ZNYGCURLRKUFKI-AWEZNQCLSA-N 1 2 363.849 1.877 20 10 FDCDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268503720 537014367 /nfs/dbraw/zinc/01/43/67/537014367.db2.gz STGXLEGAWBCVGN-INIZCTEOSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268503720 537014371 /nfs/dbraw/zinc/01/43/71/537014371.db2.gz STGXLEGAWBCVGN-INIZCTEOSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000268503720 537014375 /nfs/dbraw/zinc/01/43/75/537014375.db2.gz STGXLEGAWBCVGN-INIZCTEOSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000268503720 537014377 /nfs/dbraw/zinc/01/43/77/537014377.db2.gz STGXLEGAWBCVGN-INIZCTEOSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268503720 537014382 /nfs/dbraw/zinc/01/43/82/537014382.db2.gz STGXLEGAWBCVGN-INIZCTEOSA-N 1 2 356.474 1.675 20 10 FDCDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000268503720 537014383 /nfs/dbraw/zinc/01/43/83/537014383.db2.gz STGXLEGAWBCVGN-INIZCTEOSA-N 1 2 356.474 1.675 20 10 FDCDLO COc1ccc([NH+]2CCC(N(C)C(=O)Cn3cccnc3=O)CC2)cc1 ZINC000363709727 537291666 /nfs/dbraw/zinc/29/16/66/537291666.db2.gz NEPLUDLJVRWOMC-UHFFFAOYSA-N 1 2 356.426 1.379 20 10 FDCDLO CN1CCCc2cc(CNC(=O)C(=O)NCCCn3cc[nH+]c3)ccc21 ZINC000283337572 537371241 /nfs/dbraw/zinc/37/12/41/537371241.db2.gz SGYVBVRKXBTSAJ-UHFFFAOYSA-N 1 2 355.442 1.088 20 10 FDCDLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cccc(O)c1O ZINC000280442314 537411917 /nfs/dbraw/zinc/41/19/17/537411917.db2.gz KATDRQGYVAKPMJ-UHFFFAOYSA-N 1 2 372.421 1.739 20 10 FDCDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237650578 537635385 /nfs/dbraw/zinc/63/53/85/537635385.db2.gz XRNPVRDIBSLJTH-MRXNPFEDSA-N 1 2 358.486 1.357 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000378005762 538055783 /nfs/dbraw/zinc/05/57/83/538055783.db2.gz ZQJJUAUJVKGWRQ-UHFFFAOYSA-N 1 2 367.877 1.844 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000378005762 538055790 /nfs/dbraw/zinc/05/57/90/538055790.db2.gz ZQJJUAUJVKGWRQ-UHFFFAOYSA-N 1 2 367.877 1.844 20 10 FDCDLO CC(=O)c1cc(Cl)cc(CN2CCC[N@H+](CC(=O)N(C)C)CC2)c1O ZINC000378005762 538055801 /nfs/dbraw/zinc/05/58/01/538055801.db2.gz ZQJJUAUJVKGWRQ-UHFFFAOYSA-N 1 2 367.877 1.844 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1nccn1C)cc2=O ZINC000372981821 538074948 /nfs/dbraw/zinc/07/49/48/538074948.db2.gz YFNWWXVUZRHESC-AWEZNQCLSA-N 1 2 370.413 1.682 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1nccn1C)cc2=O ZINC000372981821 538074956 /nfs/dbraw/zinc/07/49/56/538074956.db2.gz YFNWWXVUZRHESC-AWEZNQCLSA-N 1 2 370.413 1.682 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1c1[nH+]ccn1C)cc2=O ZINC000372981821 538074960 /nfs/dbraw/zinc/07/49/60/538074960.db2.gz YFNWWXVUZRHESC-AWEZNQCLSA-N 1 2 370.413 1.682 20 10 FDCDLO COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000829424417 605833581 /nfs/dbraw/zinc/83/35/81/605833581.db2.gz PRQDNEWIDLPVNI-MRXNPFEDSA-N 1 2 362.474 1.549 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000289674671 676165674 /nfs/dbraw/zinc/16/56/74/676165674.db2.gz NSAFIWZWPFUXCK-UHFFFAOYSA-N 1 2 355.456 1.643 20 10 FDCDLO O=c1ccc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)n[nH]1 ZINC000362096403 676908300 /nfs/dbraw/zinc/90/83/00/676908300.db2.gz GLAIRLFFMDFOIY-UHFFFAOYSA-N 1 2 365.231 1.973 20 10 FDCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368651530 677501253 /nfs/dbraw/zinc/50/12/53/677501253.db2.gz VBASACTWOPJAIX-MRXNPFEDSA-N 1 2 353.413 1.509 20 10 FDCDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)CCN2C1=O ZINC000375880625 678190001 /nfs/dbraw/zinc/19/00/01/678190001.db2.gz NTUKOEMTBSBGJU-CQSZACIVSA-N 1 2 365.817 1.717 20 10 FDCDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)CCN2C1=O ZINC000375880625 678190005 /nfs/dbraw/zinc/19/00/05/678190005.db2.gz NTUKOEMTBSBGJU-CQSZACIVSA-N 1 2 365.817 1.717 20 10 FDCDLO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000529640868 694790422 /nfs/dbraw/zinc/79/04/22/694790422.db2.gz DSKDXAVOVLQYBX-KRWDZBQOSA-N 1 2 358.841 1.890 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)O[C@@H](C3CC3)C1)cc2=O ZINC000279372059 808953922 /nfs/dbraw/zinc/95/39/22/808953922.db2.gz RXODAHBXCJLGHO-IAQYHMDHSA-N 1 2 360.414 1.611 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)O[C@@H](C3CC3)C1)cc2=O ZINC000279372059 808953923 /nfs/dbraw/zinc/95/39/23/808953923.db2.gz RXODAHBXCJLGHO-IAQYHMDHSA-N 1 2 360.414 1.611 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C3CC3)O[C@@H](C)C1)cc2=O ZINC000279372064 808954000 /nfs/dbraw/zinc/95/40/00/808954000.db2.gz RXODAHBXCJLGHO-NHYWBVRUSA-N 1 2 360.414 1.611 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C3CC3)O[C@@H](C)C1)cc2=O ZINC000279372064 808954003 /nfs/dbraw/zinc/95/40/03/808954003.db2.gz RXODAHBXCJLGHO-NHYWBVRUSA-N 1 2 360.414 1.611 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280620806 811872795 /nfs/dbraw/zinc/87/27/95/811872795.db2.gz WOFPUQSDLGNJJN-UZLBHIALSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280620806 811872806 /nfs/dbraw/zinc/87/28/06/811872806.db2.gz WOFPUQSDLGNJJN-UZLBHIALSA-N 1 2 361.486 1.591 20 10 FDCDLO NS(=O)(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000894532283 818161890 /nfs/dbraw/zinc/16/18/90/818161890.db2.gz DXTGNCCPHRHROJ-UHFFFAOYSA-N 1 2 367.240 1.547 20 10 FDCDLO COC(=O)CNC(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000895451770 822607190 /nfs/dbraw/zinc/60/71/90/822607190.db2.gz NBVLMSPLLUNWGD-UHFFFAOYSA-N 1 2 365.611 1.187 20 10 FDCDLO C[NH+](C)Cc1csc(CN2C(=O)CN(Cc3ccccc3O)C2=O)n1 ZINC000925183164 828503015 /nfs/dbraw/zinc/50/30/15/828503015.db2.gz WPYRVEXUCUNNFG-UHFFFAOYSA-N 1 2 360.439 1.875 20 10 FDCDLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896312582 824307966 /nfs/dbraw/zinc/30/79/66/824307966.db2.gz KETDBHGQWUIIJU-UHFFFAOYSA-N 1 2 358.844 1.332 20 10 FDCDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(N(C)C)[nH+]1 ZINC000156047465 859756805 /nfs/dbraw/zinc/75/68/05/859756805.db2.gz PRZILQOLZXGWNM-UHFFFAOYSA-N 1 2 355.442 1.777 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOCC34CCCC4)CC2)cc1 ZINC000762926359 876978171 /nfs/dbraw/zinc/97/81/71/876978171.db2.gz JNNSQPJCLFBGCZ-UHFFFAOYSA-N 1 2 373.497 1.989 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOCC34CCCC4)CC2)cc1 ZINC000762926359 876978177 /nfs/dbraw/zinc/97/81/77/876978177.db2.gz JNNSQPJCLFBGCZ-UHFFFAOYSA-N 1 2 373.497 1.989 20 10 FDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919908437 886390701 /nfs/dbraw/zinc/39/07/01/886390701.db2.gz HDUUGWKHVKDWNH-SFHVURJKSA-N 1 2 358.486 1.973 20 10 FDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cccc(Br)c1O ZINC000764790294 905693813 /nfs/dbraw/zinc/69/38/13/905693813.db2.gz JLEVPGBJDDJPCW-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cccc(Br)c1O ZINC000764790294 905693815 /nfs/dbraw/zinc/69/38/15/905693815.db2.gz JLEVPGBJDDJPCW-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000743169160 926271256 /nfs/dbraw/zinc/27/12/56/926271256.db2.gz RADIOZRFPRZAKW-UHFFFAOYSA-N 1 2 359.430 1.585 20 10 FDCDLO C[N@@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000790897439 933775602 /nfs/dbraw/zinc/77/56/02/933775602.db2.gz WVHDBOYAEITOAA-GFCCVEGCSA-N 1 2 365.430 1.379 20 10 FDCDLO C[N@H+]1CCN(C(=O)c2cccc(O)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000790897439 933775611 /nfs/dbraw/zinc/77/56/11/933775611.db2.gz WVHDBOYAEITOAA-GFCCVEGCSA-N 1 2 365.430 1.379 20 10 FDCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000809460258 940842485 /nfs/dbraw/zinc/84/24/85/940842485.db2.gz VUNJCGRVPPPAEY-OAHLLOKOSA-N 1 2 356.426 1.459 20 10 FDCDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000809694107 940879263 /nfs/dbraw/zinc/87/92/63/940879263.db2.gz JXCKNAKXGVPNIE-UHFFFAOYSA-N 1 2 350.843 1.946 20 10 FDCDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856216128 970990290 /nfs/dbraw/zinc/99/02/90/970990290.db2.gz SNCXNRTVJJZEGY-QZTJIDSGSA-N 1 2 354.454 1.801 20 10 FDCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1Cl ZINC000824548814 946531302 /nfs/dbraw/zinc/53/13/02/946531302.db2.gz RLALFFVKJDLBBS-UHFFFAOYSA-N 1 2 367.877 1.330 20 10 FDCDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825456965 947255496 /nfs/dbraw/zinc/25/54/96/947255496.db2.gz ZWAHIFHPBKOSPY-GFCCVEGCSA-N 1 2 363.277 1.668 20 10 FDCDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825456965 947255508 /nfs/dbraw/zinc/25/55/08/947255508.db2.gz ZWAHIFHPBKOSPY-GFCCVEGCSA-N 1 2 363.277 1.668 20 10 FDCDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144510442 949792396 /nfs/dbraw/zinc/79/23/96/949792396.db2.gz YYAJWLXOBWFIRG-HNNXBMFYSA-N 1 2 360.414 1.551 20 10 FDCDLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144510442 949792412 /nfs/dbraw/zinc/79/24/12/949792412.db2.gz YYAJWLXOBWFIRG-HNNXBMFYSA-N 1 2 360.414 1.551 20 10 FDCDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000846120911 950517507 /nfs/dbraw/zinc/51/75/07/950517507.db2.gz GEBKUTCQCWGCGX-UMSKNGNOSA-N 1 2 357.410 1.282 20 10 FDCDLO O=C(CN1C(=O)CSC1=S)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001144849946 951216986 /nfs/dbraw/zinc/21/69/86/951216986.db2.gz KMAKMSAJZVVRMN-JTQLQIEISA-N 1 2 363.455 1.179 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCC4(COC4)C3)cc12 ZINC001184358968 963541248 /nfs/dbraw/zinc/54/12/48/963541248.db2.gz GXMZUIIJAFTROE-UHFFFAOYSA-N 1 2 372.421 1.488 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCC4(COC4)C3)cc12 ZINC001184358968 963541255 /nfs/dbraw/zinc/54/12/55/963541255.db2.gz GXMZUIIJAFTROE-UHFFFAOYSA-N 1 2 372.421 1.488 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CC[C@@H](O)C[C@H]3C)cc12 ZINC001184360404 963541632 /nfs/dbraw/zinc/54/16/32/963541632.db2.gz YSXXHMISFJZZIC-UKRRQHHQSA-N 1 2 374.437 1.611 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CC[C@@H](O)C[C@H]3C)cc12 ZINC001184360404 963541637 /nfs/dbraw/zinc/54/16/37/963541637.db2.gz YSXXHMISFJZZIC-UKRRQHHQSA-N 1 2 374.437 1.611 20 10 FDCDLO CCC1(CNC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)COC1 ZINC001184361478 963543379 /nfs/dbraw/zinc/54/33/79/963543379.db2.gz HOYHXCZRXCVMOH-UHFFFAOYSA-N 1 2 374.437 1.782 20 10 FDCDLO CCC1(CNC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)COC1 ZINC001184361478 963543380 /nfs/dbraw/zinc/54/33/80/963543380.db2.gz HOYHXCZRXCVMOH-UHFFFAOYSA-N 1 2 374.437 1.782 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCCO[C@@H](C)C3)cc12 ZINC001184355061 963558999 /nfs/dbraw/zinc/55/89/99/963558999.db2.gz OPHDXYHIUKRVFR-AWEZNQCLSA-N 1 2 374.437 1.876 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCCO[C@@H](C)C3)cc12 ZINC001184355061 963559004 /nfs/dbraw/zinc/55/90/04/963559004.db2.gz OPHDXYHIUKRVFR-AWEZNQCLSA-N 1 2 374.437 1.876 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(c3nc(N)ns3)CC2)ccc1[N+](=O)[O-] ZINC000774911425 964030356 /nfs/dbraw/zinc/03/03/56/964030356.db2.gz DAFRIXPOZLMVCD-UHFFFAOYSA-N 1 2 366.403 1.065 20 10 FDCDLO O=C(NCCn1cc[nH+]c1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000775099513 965074073 /nfs/dbraw/zinc/07/40/73/965074073.db2.gz MUIDDQLMTYNGLI-UHFFFAOYSA-N 1 2 368.393 1.527 20 10 FDCDLO Cc1cc(C(=O)C[NH+]2CCC(O)(CO)CC2)c(C)n1-c1ccc(F)cn1 ZINC000852500908 967378174 /nfs/dbraw/zinc/37/81/74/967378174.db2.gz SVCQGSYKCLQHDO-UHFFFAOYSA-N 1 2 361.417 1.630 20 10 FDCDLO COCc1nc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000775824658 972854858 /nfs/dbraw/zinc/85/48/58/972854858.db2.gz KNSYVKICICRDPZ-UHFFFAOYSA-N 1 2 374.441 1.382 20 10 FDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000867832426 976958558 /nfs/dbraw/zinc/95/85/58/976958558.db2.gz MPGBOEDDXXTXMD-GORDUTHDSA-N 1 2 355.232 1.659 20 10 FDCDLO C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1O ZINC000868131014 977309706 /nfs/dbraw/zinc/30/97/06/977309706.db2.gz WHPRLQNLXBNGQO-KBXCAEBGSA-N 1 2 365.499 1.960 20 10 FDCDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862366456 984360463 /nfs/dbraw/zinc/36/04/63/984360463.db2.gz ILNJCMTXQGIKOY-UHFFFAOYSA-N 1 2 361.458 1.935 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(COCCO)CC2)c1O ZINC000886743107 986537555 /nfs/dbraw/zinc/53/75/55/986537555.db2.gz TXDJJNCWIYACEB-UHFFFAOYSA-N 1 2 357.834 1.584 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCO[C@H](C(F)F)CC1)cc2=O ZINC000872272148 987563585 /nfs/dbraw/zinc/56/35/85/987563585.db2.gz ZQUUDKKCKIFFCJ-LBPRGKRZSA-N 1 2 370.356 1.468 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCO[C@H](C(F)F)CC1)cc2=O ZINC000872272148 987563588 /nfs/dbraw/zinc/56/35/88/987563588.db2.gz ZQUUDKKCKIFFCJ-LBPRGKRZSA-N 1 2 370.356 1.468 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc4n(n3)CCC4)CC2)cc1 ZINC000294652338 988515991 /nfs/dbraw/zinc/51/59/91/988515991.db2.gz HOMFHOAJYHSYEJ-UHFFFAOYSA-N 1 2 369.469 1.390 20 10 FDCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437174 990112800 /nfs/dbraw/zinc/11/28/00/990112800.db2.gz GSWWUOSRIKTKHG-AYBZRNKSSA-N 1 2 359.470 1.642 20 10 FDCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298437174 990112807 /nfs/dbraw/zinc/11/28/07/990112807.db2.gz GSWWUOSRIKTKHG-AYBZRNKSSA-N 1 2 359.470 1.642 20 10 FDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165683 993079916 /nfs/dbraw/zinc/07/99/16/993079916.db2.gz PSZFKENSDMFHDS-MOPGFXCFSA-N 1 2 362.470 1.800 20 10 FDCDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165683 993079928 /nfs/dbraw/zinc/07/99/28/993079928.db2.gz PSZFKENSDMFHDS-MOPGFXCFSA-N 1 2 362.470 1.800 20 10 FDCDLO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1CCN1CCOCC1 ZINC000777483490 999109968 /nfs/dbraw/zinc/10/99/68/999109968.db2.gz RUNJPFHRJSRBHG-CQSZACIVSA-N 1 2 371.840 1.207 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CS(N)(=O)=O)CC2)c1O ZINC000089992372 524567598 /nfs/dbraw/zinc/56/75/98/524567598.db2.gz GTCKMUCKWPDODS-UHFFFAOYSA-N 1 2 360.863 1.749 20 10 FDCDLO Cc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000176581345 525145992 /nfs/dbraw/zinc/14/59/92/525145992.db2.gz TYYZPNAJIYJRAD-KRWDZBQOSA-N 1 2 372.469 1.254 20 10 FDCDLO Nc1ccc(CC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000168286138 525616075 /nfs/dbraw/zinc/61/60/75/525616075.db2.gz IKHHFKZHRBEXLH-IBGZPJMESA-N 1 2 369.465 1.395 20 10 FDCDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000106503881 525733653 /nfs/dbraw/zinc/73/36/53/525733653.db2.gz XCKVJAFXDCIPDQ-LJQANCHMSA-N 1 2 359.518 1.674 20 10 FDCDLO Cc1cc(N2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000187180533 536256802 /nfs/dbraw/zinc/25/68/02/536256802.db2.gz WAWOKEIWRCIZNR-UHFFFAOYSA-N 1 2 356.474 1.223 20 10 FDCDLO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000193453626 537248294 /nfs/dbraw/zinc/24/82/94/537248294.db2.gz QUTXBQRBTQTRSP-MSOLQXFVSA-N 1 2 352.500 1.921 20 10 FDCDLO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000193453626 537248295 /nfs/dbraw/zinc/24/82/95/537248295.db2.gz QUTXBQRBTQTRSP-MSOLQXFVSA-N 1 2 352.500 1.921 20 10 FDCDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348950 537401689 /nfs/dbraw/zinc/40/16/89/537401689.db2.gz IFKLZVFOEFKHGJ-OXQOHEQNSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348950 537401698 /nfs/dbraw/zinc/40/16/98/537401698.db2.gz IFKLZVFOEFKHGJ-OXQOHEQNSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000376990779 537951877 /nfs/dbraw/zinc/95/18/77/537951877.db2.gz BNMCMSPMXXHPPQ-MAUKXSAKSA-N 1 2 358.486 1.684 20 10 FDCDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000280620804 811873356 /nfs/dbraw/zinc/87/33/56/811873356.db2.gz WOFPUQSDLGNJJN-OXJNMPFZSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000280620804 811873364 /nfs/dbraw/zinc/87/33/64/811873364.db2.gz WOFPUQSDLGNJJN-OXJNMPFZSA-N 1 2 361.486 1.591 20 10 FDCDLO COc1ccc(CN2CC[NH+](CCc3cnccn3)CC2)c(O)c1OC ZINC000895783382 822740991 /nfs/dbraw/zinc/74/09/91/822740991.db2.gz QKGWRTYCLUHWQP-UHFFFAOYSA-N 1 2 358.442 1.560 20 10 FDCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001142520714 840458765 /nfs/dbraw/zinc/45/87/65/840458765.db2.gz ODRYRBYMGOXEJB-UHFFFAOYSA-N 1 2 360.368 1.565 20 10 FDCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001142520714 840458769 /nfs/dbraw/zinc/45/87/69/840458769.db2.gz ODRYRBYMGOXEJB-UHFFFAOYSA-N 1 2 360.368 1.565 20 10 FDCDLO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)[N@H+]1CCO ZINC000897905655 840565816 /nfs/dbraw/zinc/56/58/16/840565816.db2.gz PGGOGOOOMDXHSA-PHIMTYICSA-N 1 2 350.440 1.840 20 10 FDCDLO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)[N@@H+]1CCO ZINC000897905655 840565822 /nfs/dbraw/zinc/56/58/22/840565822.db2.gz PGGOGOOOMDXHSA-PHIMTYICSA-N 1 2 350.440 1.840 20 10 FDCDLO COc1ccc(N2CCN(C(=O)/C=C(\C)C[NH+]3CCOCC3)CC2)cc1 ZINC000899940027 846911674 /nfs/dbraw/zinc/91/16/74/846911674.db2.gz DORGYCJVWRCOJC-BMRADRMJSA-N 1 2 359.470 1.622 20 10 FDCDLO Cc1cc(C[NH+]2CCN(S(=O)(=O)NC(C)C)CC2)ccc1N(C)C ZINC000829497769 886783563 /nfs/dbraw/zinc/78/35/63/886783563.db2.gz QVANKYKNJUUOFP-UHFFFAOYSA-N 1 2 354.520 1.421 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2O)cc1 ZINC001078259489 898553984 /nfs/dbraw/zinc/55/39/84/898553984.db2.gz MHENBQHTONXKRO-HZPDHXFCSA-N 1 2 368.397 1.219 20 10 FDCDLO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)cc1 ZINC001078259489 898553989 /nfs/dbraw/zinc/55/39/89/898553989.db2.gz MHENBQHTONXKRO-HZPDHXFCSA-N 1 2 368.397 1.219 20 10 FDCDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(Br)ccc1O ZINC000805187567 938690216 /nfs/dbraw/zinc/69/02/16/938690216.db2.gz QSRCYBAMXWFBLH-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cc(Br)ccc1O ZINC000805187567 938690220 /nfs/dbraw/zinc/69/02/20/938690220.db2.gz QSRCYBAMXWFBLH-LLVKDONJSA-N 1 2 372.263 1.675 20 10 FDCDLO COc1ccc(N2CC[C@@H](CN3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)C2)cc1 ZINC000819176598 943462362 /nfs/dbraw/zinc/46/23/62/943462362.db2.gz KXBDOOORMVPCJC-DYVFJYSZSA-N 1 2 369.425 1.408 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000824913609 946855773 /nfs/dbraw/zinc/85/57/73/946855773.db2.gz CIEUXRJONDONHV-LBPRGKRZSA-N 1 2 358.416 1.708 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000824913609 946855785 /nfs/dbraw/zinc/85/57/85/946855785.db2.gz CIEUXRJONDONHV-LBPRGKRZSA-N 1 2 358.416 1.708 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)OCC34CCC4)CC2)cc1 ZINC000844423644 948049935 /nfs/dbraw/zinc/04/99/35/948049935.db2.gz VJJQPDSFNAZZFD-KRWDZBQOSA-N 1 2 373.497 1.987 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)OCC34CCC4)CC2)cc1 ZINC000844423644 948049943 /nfs/dbraw/zinc/04/99/43/948049943.db2.gz VJJQPDSFNAZZFD-KRWDZBQOSA-N 1 2 373.497 1.987 20 10 FDCDLO CO[C@H](C[NH+]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1ccccc1 ZINC001148588133 952760018 /nfs/dbraw/zinc/76/00/18/952760018.db2.gz PFYLGFIMBDVVKA-GOSISDBHSA-N 1 2 372.421 1.949 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N3CCCC34COC4)cc12 ZINC001184358931 963542161 /nfs/dbraw/zinc/54/21/61/963542161.db2.gz FSEOLACEOLCBMD-UHFFFAOYSA-N 1 2 372.421 1.630 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N3CCCC34COC4)cc12 ZINC001184358931 963542165 /nfs/dbraw/zinc/54/21/65/963542165.db2.gz FSEOLACEOLCBMD-UHFFFAOYSA-N 1 2 372.421 1.630 20 10 FDCDLO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883133375 981970547 /nfs/dbraw/zinc/97/05/47/981970547.db2.gz XGKYQEPYJPMONH-SNVBAGLBSA-N 1 2 369.256 1.711 20 10 FDCDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862551253 984410481 /nfs/dbraw/zinc/41/04/81/984410481.db2.gz KMGJNMWUFRAGQY-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862551253 984410482 /nfs/dbraw/zinc/41/04/82/984410482.db2.gz KMGJNMWUFRAGQY-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000872754004 988037313 /nfs/dbraw/zinc/03/73/13/988037313.db2.gz TXHDCMVGEYKFFD-IUODEOHRSA-N 1 2 360.332 1.461 20 10 FDCDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000872754004 988037324 /nfs/dbraw/zinc/03/73/24/988037324.db2.gz TXHDCMVGEYKFFD-IUODEOHRSA-N 1 2 360.332 1.461 20 10 FDCDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000367765300 988967267 /nfs/dbraw/zinc/96/72/67/988967267.db2.gz LLYAKRJVXJXOHY-DGCLKSJQSA-N 1 2 362.386 1.225 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368304340 988987844 /nfs/dbraw/zinc/98/78/44/988987844.db2.gz MDJWDSJNXCJQDA-IBGZPJMESA-N 1 2 358.486 1.949 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368304340 988987847 /nfs/dbraw/zinc/98/78/47/988987847.db2.gz MDJWDSJNXCJQDA-IBGZPJMESA-N 1 2 358.486 1.949 20 10 FDCDLO CCCC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000363432005 989194251 /nfs/dbraw/zinc/19/42/51/989194251.db2.gz CPTRSGCOQNETCK-UHFFFAOYSA-N 1 2 360.502 1.703 20 10 FDCDLO CCCC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000363432005 989194254 /nfs/dbraw/zinc/19/42/54/989194254.db2.gz CPTRSGCOQNETCK-UHFFFAOYSA-N 1 2 360.502 1.703 20 10 FDCDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1Cc2cccc(O)c2C1 ZINC000875139783 990951917 /nfs/dbraw/zinc/95/19/17/990951917.db2.gz CCJDLUAATIYRJX-GOSISDBHSA-N 1 2 363.483 1.625 20 10 FDCDLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1)C1CC1 ZINC000877534342 993324806 /nfs/dbraw/zinc/32/48/06/993324806.db2.gz GFDPORCKQKQIGU-NSHDSACASA-N 1 2 360.426 1.964 20 10 FDCDLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1)C1CC1 ZINC000877534342 993324818 /nfs/dbraw/zinc/32/48/18/993324818.db2.gz GFDPORCKQKQIGU-NSHDSACASA-N 1 2 360.426 1.964 20 10 FDCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCOCC1 ZINC000878727984 994169637 /nfs/dbraw/zinc/16/96/37/994169637.db2.gz HPPUKVONECGMMX-INIZCTEOSA-N 1 2 367.442 1.050 20 10 FDCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCOCC1 ZINC000878727984 994169649 /nfs/dbraw/zinc/16/96/49/994169649.db2.gz HPPUKVONECGMMX-INIZCTEOSA-N 1 2 367.442 1.050 20 10 FDCDLO O=C(c1ccccc1O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271106834 999662287 /nfs/dbraw/zinc/66/22/87/999662287.db2.gz WKFVFLNNDKZOIO-UHFFFAOYSA-N 1 2 356.378 1.785 20 10 FDCDLO Oc1ccc2ccc(O)c(C[NH+]3CCOCC3)c2c1CN1CCOCC1 ZINC000047219554 1007003178 /nfs/dbraw/zinc/00/31/78/1007003178.db2.gz OZHBQRYGYXNTOZ-UHFFFAOYSA-N 1 2 358.438 1.915 20 10 FDCDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172702892 524261945 /nfs/dbraw/zinc/26/19/45/524261945.db2.gz UJSUQOMALQLOEJ-UHFFFAOYSA-N 1 2 358.486 1.973 20 10 FDCDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172702892 524261957 /nfs/dbraw/zinc/26/19/57/524261957.db2.gz UJSUQOMALQLOEJ-UHFFFAOYSA-N 1 2 358.486 1.973 20 10 FDCDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180283224 525685525 /nfs/dbraw/zinc/68/55/25/525685525.db2.gz DEYPBNBBYDVXBX-CQSZACIVSA-N 1 2 357.248 1.800 20 10 FDCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000180283224 525685530 /nfs/dbraw/zinc/68/55/30/525685530.db2.gz DEYPBNBBYDVXBX-CQSZACIVSA-N 1 2 357.248 1.800 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108777109 526022580 /nfs/dbraw/zinc/02/25/80/526022580.db2.gz IEKVCAQAPKCISE-PFWMLDTASA-N 1 2 359.470 1.373 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC000278149381 537265762 /nfs/dbraw/zinc/26/57/62/537265762.db2.gz CCQWZDMNDAIAMT-UHFFFAOYSA-N 1 2 362.386 1.923 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@@H](C)O)[nH+]cn3)CC2)cc1F ZINC000299157584 537459137 /nfs/dbraw/zinc/45/91/37/537459137.db2.gz ZGWXIMJQYNUZTB-CYBMUJFWSA-N 1 2 361.421 1.744 20 10 FDCDLO COc1ccc(N2CCN(c3cc(NC[C@@H](C)O)nc[nH+]3)CC2)cc1F ZINC000299157584 537459147 /nfs/dbraw/zinc/45/91/47/537459147.db2.gz ZGWXIMJQYNUZTB-CYBMUJFWSA-N 1 2 361.421 1.744 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)ccc(O)c3O)c[nH+]2)CCO1 ZINC000276491550 537546991 /nfs/dbraw/zinc/54/69/91/537546991.db2.gz AREBQBMAZJUSQK-LLVKDONJSA-N 1 2 361.373 1.787 20 10 FDCDLO NC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737216 599098675 /nfs/dbraw/zinc/09/86/75/599098675.db2.gz PIAOKLCHXIOCKJ-INIZCTEOSA-N 1 2 350.382 1.118 20 10 FDCDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c(-c2nn[nH]n2)c1C ZINC000737552891 598618417 /nfs/dbraw/zinc/61/84/17/598618417.db2.gz RXFUZIKFYKQHLA-UHFFFAOYSA-N 1 2 356.386 1.853 20 10 FDCDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccccc2O)c(-c2nn[nH]n2)c1C ZINC000737552891 598618419 /nfs/dbraw/zinc/61/84/19/598618419.db2.gz RXFUZIKFYKQHLA-UHFFFAOYSA-N 1 2 356.386 1.853 20 10 FDCDLO COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000829424414 605833400 /nfs/dbraw/zinc/83/34/00/605833400.db2.gz PRQDNEWIDLPVNI-INIZCTEOSA-N 1 2 362.474 1.549 20 10 FDCDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294781364 676397206 /nfs/dbraw/zinc/39/72/06/676397206.db2.gz BSLDZULRBVDKRC-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294781364 676397209 /nfs/dbraw/zinc/39/72/09/676397209.db2.gz BSLDZULRBVDKRC-JTQLQIEISA-N 1 2 350.843 1.946 20 10 FDCDLO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2SC(=N)NC2=O)[NH+](C)C)cc1 ZINC000891255266 774167741 /nfs/dbraw/zinc/16/77/41/774167741.db2.gz OBHHLQYUEASZTM-ZIAGYGMSSA-N 1 2 363.487 1.028 20 10 FDCDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377214331 791271631 /nfs/dbraw/zinc/27/16/31/791271631.db2.gz LYTHSWRQYLVOPR-OXJNMPFZSA-N 1 2 361.486 1.639 20 10 FDCDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377214331 791271639 /nfs/dbraw/zinc/27/16/39/791271639.db2.gz LYTHSWRQYLVOPR-OXJNMPFZSA-N 1 2 361.486 1.639 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)cc1 ZINC000279749056 809060468 /nfs/dbraw/zinc/06/04/68/809060468.db2.gz YLGUOBCQANJIFD-IRXDYDNUSA-N 1 2 373.497 1.939 20 10 FDCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1OC ZINC000271806339 814483087 /nfs/dbraw/zinc/48/30/87/814483087.db2.gz MJQFECZNGWOTRD-UHFFFAOYSA-N 1 2 357.410 1.762 20 10 FDCDLO COc1ccc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1F ZINC000302916261 827758459 /nfs/dbraw/zinc/75/84/59/827758459.db2.gz WCNATPALKBGBJV-UHFFFAOYSA-N 1 2 373.432 1.788 20 10 FDCDLO COc1ccc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1F ZINC000302916261 827758464 /nfs/dbraw/zinc/75/84/64/827758464.db2.gz WCNATPALKBGBJV-UHFFFAOYSA-N 1 2 373.432 1.788 20 10 FDCDLO Nc1ccc(CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000842050479 840903893 /nfs/dbraw/zinc/90/38/93/840903893.db2.gz CDQVCPDDHKBGBZ-UHFFFAOYSA-N 1 2 352.438 1.060 20 10 FDCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CNOC1 ZINC000904425073 851210579 /nfs/dbraw/zinc/21/05/79/851210579.db2.gz XEKOMAALVWCVGD-MRVPVSSYSA-N 1 2 352.026 1.910 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000785423684 901125294 /nfs/dbraw/zinc/12/52/94/901125294.db2.gz GFIHUVKDUJHIAG-UHFFFAOYSA-N 1 2 351.410 1.333 20 10 FDCDLO Cc1nnc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)[nH]1 ZINC000825109473 923463397 /nfs/dbraw/zinc/46/33/97/923463397.db2.gz JNSLCPZAOTUISY-UHFFFAOYSA-N 1 2 366.263 1.899 20 10 FDCDLO C/C(=C\C(=O)NCc1ccc(N2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000827792079 924739726 /nfs/dbraw/zinc/73/97/26/924739726.db2.gz FBVSIYCEBXVQOQ-SAPNQHFASA-N 1 2 359.470 1.418 20 10 FDCDLO COC1CN(Cc2c(O)ccc3ccc(O)c(C[NH+]4CC(OC)C4)c32)C1 ZINC000738225105 925139753 /nfs/dbraw/zinc/13/97/53/925139753.db2.gz JYSZRXWQQPNUTD-UHFFFAOYSA-N 1 2 358.438 1.912 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)OC(C)(C)C3)CC2)cc1 ZINC000065423201 927466915 /nfs/dbraw/zinc/46/69/15/927466915.db2.gz ZZWXRZVJVJIQKW-INIZCTEOSA-N 1 2 361.486 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)OC(C)(C)C3)CC2)cc1 ZINC000065423201 927466926 /nfs/dbraw/zinc/46/69/26/927466926.db2.gz ZZWXRZVJVJIQKW-INIZCTEOSA-N 1 2 361.486 1.843 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169902105 928955291 /nfs/dbraw/zinc/95/52/91/928955291.db2.gz HGFCGEFHIIPLPP-KGLIPLIRSA-N 1 2 351.399 1.457 20 10 FDCDLO COC(=O)/C=C\c1ccc(N(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000788565996 932741031 /nfs/dbraw/zinc/74/10/31/932741031.db2.gz QYBUWZSLZDFDQB-BRLPQQTGSA-N 1 2 363.414 1.938 20 10 FDCDLO O[C@@H](CNc1ccccc1OC[C@@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000819425636 943582686 /nfs/dbraw/zinc/58/26/86/943582686.db2.gz FRLGETTXYQKPBB-IRXDYDNUSA-N 1 2 350.459 1.740 20 10 FDCDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000823986704 946138782 /nfs/dbraw/zinc/13/87/82/946138782.db2.gz NLXHSLROFUZCDE-ZBFHGGJFSA-N 1 2 354.834 1.542 20 10 FDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(Br)c1O ZINC000824677629 946676453 /nfs/dbraw/zinc/67/64/53/946676453.db2.gz GXDGMAZZUIGYIZ-JTQLQIEISA-N 1 2 351.266 1.572 20 10 FDCDLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)c(O)c1O ZINC000846095344 950487871 /nfs/dbraw/zinc/48/78/71/950487871.db2.gz NKMTTXLICDLQDJ-UHFFFAOYSA-N 1 2 355.398 1.679 20 10 FDCDLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715827990 958482618 /nfs/dbraw/zinc/48/26/18/958482618.db2.gz NHDNQXIYCVKBSU-SNVBAGLBSA-N 1 2 352.225 1.961 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1F ZINC000774189670 961810255 /nfs/dbraw/zinc/81/02/55/961810255.db2.gz NPUSEMCZCINXDD-UHFFFAOYSA-N 1 2 355.373 1.794 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCCn3cccc3)cc12 ZINC001184360975 963541830 /nfs/dbraw/zinc/54/18/30/963541830.db2.gz BXYKOPLGWQPAGY-UHFFFAOYSA-N 1 2 369.421 1.857 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCCn3cccc3)cc12 ZINC001184360975 963541837 /nfs/dbraw/zinc/54/18/37/963541837.db2.gz BXYKOPLGWQPAGY-UHFFFAOYSA-N 1 2 369.421 1.857 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3CCO[C@@H](C)C3)cc12 ZINC001184359300 963541902 /nfs/dbraw/zinc/54/19/02/963541902.db2.gz DANNWWSYOTVZPK-DZGCQCFKSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3CCO[C@@H](C)C3)cc12 ZINC001184359300 963541907 /nfs/dbraw/zinc/54/19/07/963541907.db2.gz DANNWWSYOTVZPK-DZGCQCFKSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3CCC[C@@H]3O)cc12 ZINC001184361637 963543117 /nfs/dbraw/zinc/54/31/17/963543117.db2.gz JXRLRYIQTAPOBA-CABCVRRESA-N 1 2 360.410 1.268 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3CCC[C@@H]3O)cc12 ZINC001184361637 963543120 /nfs/dbraw/zinc/54/31/20/963543120.db2.gz JXRLRYIQTAPOBA-CABCVRRESA-N 1 2 360.410 1.268 20 10 FDCDLO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3cnn[nH]3)CC2)cc1 ZINC000864616254 973687470 /nfs/dbraw/zinc/68/74/70/973687470.db2.gz IVBTZQXZMODJMP-UHFFFAOYSA-N 1 2 372.473 1.074 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOc3cc(N)ccc3C2)cc1 ZINC000866690021 975919693 /nfs/dbraw/zinc/91/96/93/975919693.db2.gz SRCWEQTUVJKWRE-UHFFFAOYSA-N 1 2 354.454 1.846 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOc3cc(N)ccc3C2)cc1 ZINC000866690021 975919700 /nfs/dbraw/zinc/91/97/00/975919700.db2.gz SRCWEQTUVJKWRE-UHFFFAOYSA-N 1 2 354.454 1.846 20 10 FDCDLO COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)C2)cc1 ZINC000849358465 977453487 /nfs/dbraw/zinc/45/34/87/977453487.db2.gz WIWILTHLLPKEAY-ZBFHGGJFSA-N 1 2 355.398 1.160 20 10 FDCDLO COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)C2)cc1 ZINC000849358465 977453496 /nfs/dbraw/zinc/45/34/96/977453496.db2.gz WIWILTHLLPKEAY-ZBFHGGJFSA-N 1 2 355.398 1.160 20 10 FDCDLO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851988239 979247852 /nfs/dbraw/zinc/24/78/52/979247852.db2.gz WEBMMVAKDJQREK-LJQANCHMSA-N 1 2 358.486 1.903 20 10 FDCDLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000881812822 980170689 /nfs/dbraw/zinc/17/06/89/980170689.db2.gz FPCSAZJMSXLBJB-HNNXBMFYSA-N 1 2 364.471 1.400 20 10 FDCDLO COc1cccc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c1O ZINC000881917882 980291576 /nfs/dbraw/zinc/29/15/76/980291576.db2.gz URXLSOLAYHFNJR-UHFFFAOYSA-N 1 2 362.451 1.867 20 10 FDCDLO COc1cccc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c1O ZINC000881917882 980291580 /nfs/dbraw/zinc/29/15/80/980291580.db2.gz URXLSOLAYHFNJR-UHFFFAOYSA-N 1 2 362.451 1.867 20 10 FDCDLO CC(=O)N1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882889180 981778676 /nfs/dbraw/zinc/77/86/76/981778676.db2.gz SUGHKTAOFTWVRE-UHFFFAOYSA-N 1 2 374.254 1.548 20 10 FDCDLO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cccc(Br)c1O ZINC000858224873 981926134 /nfs/dbraw/zinc/92/61/34/981926134.db2.gz VIUCGZISPOESDX-ZDUSSCGKSA-N 1 2 356.264 1.584 20 10 FDCDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000360261897 987976779 /nfs/dbraw/zinc/97/67/79/987976779.db2.gz NFURQAZYZKDLNL-MRXNPFEDSA-N 1 2 357.458 1.940 20 10 FDCDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000360261897 987976841 /nfs/dbraw/zinc/97/68/41/987976841.db2.gz NFURQAZYZKDLNL-MRXNPFEDSA-N 1 2 357.458 1.940 20 10 FDCDLO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CCc2[nH+]ccn2C1 ZINC000363068728 988896263 /nfs/dbraw/zinc/89/62/63/988896263.db2.gz PLWTYYNQLZTAGZ-HJYWZVSTSA-N 1 2 352.438 1.864 20 10 FDCDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc4c(c3)CCN4C)C2)CC1 ZINC000372454779 991123096 /nfs/dbraw/zinc/12/30/96/991123096.db2.gz PHGAJTUESVRQJS-LJQANCHMSA-N 1 2 371.529 1.600 20 10 FDCDLO CC(C)(O)c1cn(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000374836299 992951991 /nfs/dbraw/zinc/95/19/91/992951991.db2.gz NDCRAULHFKUEPB-UHFFFAOYSA-N 1 2 357.458 1.399 20 10 FDCDLO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1S(C)(=O)=O ZINC000877141201 993066315 /nfs/dbraw/zinc/06/63/15/993066315.db2.gz SDDAEXIOQBNQAN-HNNXBMFYSA-N 1 2 367.515 1.113 20 10 FDCDLO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1S(C)(=O)=O ZINC000877141201 993066320 /nfs/dbraw/zinc/06/63/20/993066320.db2.gz SDDAEXIOQBNQAN-HNNXBMFYSA-N 1 2 367.515 1.113 20 10 FDCDLO CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N2CC[NH+](C)CC2)c1O ZINC000879354596 994811315 /nfs/dbraw/zinc/81/13/15/994811315.db2.gz JRQORAYUXWQIKN-UHFFFAOYSA-N 1 2 353.850 1.454 20 10 FDCDLO O=C(NCCNc1cccc[nH+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786455 523695989 /nfs/dbraw/zinc/69/59/89/523695989.db2.gz UMRYAISKMXRVFR-UHFFFAOYSA-N 1 2 355.442 1.830 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)CC2)cc1 ZINC000173465243 524397864 /nfs/dbraw/zinc/39/78/64/524397864.db2.gz NIWDSNBELGMIDA-GOSISDBHSA-N 1 2 369.469 1.746 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000177245249 525258957 /nfs/dbraw/zinc/25/89/57/525258957.db2.gz SBOGXWZKQRIMCH-UHFFFAOYSA-N 1 2 360.863 1.716 20 10 FDCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000177245249 525258958 /nfs/dbraw/zinc/25/89/58/525258958.db2.gz SBOGXWZKQRIMCH-UHFFFAOYSA-N 1 2 360.863 1.716 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@](C)(C(N)=O)c2ccccc2)cc1 ZINC000178525298 525443274 /nfs/dbraw/zinc/44/32/74/525443274.db2.gz LKIJGDFDCUYMTN-OAQYLSRUSA-N 1 2 368.481 1.701 20 10 FDCDLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000131589048 525875980 /nfs/dbraw/zinc/87/59/80/525875980.db2.gz ZFKCLZFQFPNCOW-DZGCQCFKSA-N 1 2 354.472 1.248 20 10 FDCDLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000131589048 525875991 /nfs/dbraw/zinc/87/59/91/525875991.db2.gz ZFKCLZFQFPNCOW-DZGCQCFKSA-N 1 2 354.472 1.248 20 10 FDCDLO C[C@H]1OCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000155985670 526028374 /nfs/dbraw/zinc/02/83/74/526028374.db2.gz PLQPIWBAGHGSAD-HUUCEWRRSA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000155985670 526028379 /nfs/dbraw/zinc/02/83/79/526028379.db2.gz PLQPIWBAGHGSAD-HUUCEWRRSA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000183440838 535983003 /nfs/dbraw/zinc/98/30/03/535983003.db2.gz VNMMOUZMGBMVMG-OAHLLOKOSA-N 1 2 370.453 1.362 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247456910 537120693 /nfs/dbraw/zinc/12/06/93/537120693.db2.gz UBHPJEAIIAKTTE-MOPGFXCFSA-N 1 2 361.486 1.591 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247456910 537120697 /nfs/dbraw/zinc/12/06/97/537120697.db2.gz UBHPJEAIIAKTTE-MOPGFXCFSA-N 1 2 361.486 1.591 20 10 FDCDLO O=C(c1cccc(O)c1O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000192911541 537235940 /nfs/dbraw/zinc/23/59/40/537235940.db2.gz DJGNXZNQXKKMAX-UHFFFAOYSA-N 1 2 352.394 1.704 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000278316904 537297773 /nfs/dbraw/zinc/29/77/73/537297773.db2.gz XQGSJLHTBHEBSG-AWEZNQCLSA-N 1 2 365.386 1.132 20 10 FDCDLO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000290568447 537372803 /nfs/dbraw/zinc/37/28/03/537372803.db2.gz SWZZBOBSMKZCPN-CYBMUJFWSA-N 1 2 363.863 1.690 20 10 FDCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000372178931 537892187 /nfs/dbraw/zinc/89/21/87/537892187.db2.gz NARBQWQDFWUFPE-OAHLLOKOSA-N 1 2 361.486 1.705 20 10 FDCDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@](=O)C1 ZINC000365432820 568666565 /nfs/dbraw/zinc/66/65/65/568666565.db2.gz ODELIFKJKGOAOH-MYYSRTQBSA-N 1 2 351.516 1.411 20 10 FDCDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[S@](=O)C1 ZINC000365432820 568666567 /nfs/dbraw/zinc/66/65/67/568666567.db2.gz ODELIFKJKGOAOH-MYYSRTQBSA-N 1 2 351.516 1.411 20 10 FDCDLO C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000821605198 606188018 /nfs/dbraw/zinc/18/80/18/606188018.db2.gz ZGIONXWULNWXBA-UHFFFAOYSA-N 1 2 373.438 1.478 20 10 FDCDLO C[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000821605198 606188019 /nfs/dbraw/zinc/18/80/19/606188019.db2.gz ZGIONXWULNWXBA-UHFFFAOYSA-N 1 2 373.438 1.478 20 10 FDCDLO CN1CCCc2cc(CNS(=O)(=O)CCC[NH+]3CCOCC3)ccc21 ZINC000274232421 674588135 /nfs/dbraw/zinc/58/81/35/674588135.db2.gz QUCBISGRDJIMRU-UHFFFAOYSA-N 1 2 367.515 1.211 20 10 FDCDLO CC(C)CN1C(=O)C(=CNNc2cccc(Cl)[nH+]2)C(=O)NC1=S ZINC000292105994 676283979 /nfs/dbraw/zinc/28/39/79/676283979.db2.gz ZXKCZTXVYYQUOK-TWGQIWQCSA-N 1 2 353.835 1.435 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000365804551 677383382 /nfs/dbraw/zinc/38/33/82/677383382.db2.gz FXHORZVRQDMZNH-GFCCVEGCSA-N 1 2 373.431 1.211 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000365804551 677383383 /nfs/dbraw/zinc/38/33/83/677383383.db2.gz FXHORZVRQDMZNH-GFCCVEGCSA-N 1 2 373.431 1.211 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000377168793 678471245 /nfs/dbraw/zinc/47/12/45/678471245.db2.gz SWKBGRIQIYBDFM-UHFFFAOYSA-N 1 2 364.427 1.227 20 10 FDCDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000378444301 678747457 /nfs/dbraw/zinc/74/74/57/678747457.db2.gz PAUFDZLBVFGWEP-LBPRGKRZSA-N 1 2 368.231 1.541 20 10 FDCDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000378444301 678747460 /nfs/dbraw/zinc/74/74/60/678747460.db2.gz PAUFDZLBVFGWEP-LBPRGKRZSA-N 1 2 368.231 1.541 20 10 FDCDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947707 794682535 /nfs/dbraw/zinc/68/25/35/794682535.db2.gz PKPQQPDCOLBELK-QINHECLXSA-N 1 2 361.486 1.637 20 10 FDCDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000363947707 794682541 /nfs/dbraw/zinc/68/25/41/794682541.db2.gz PKPQQPDCOLBELK-QINHECLXSA-N 1 2 361.486 1.637 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)O[C@H](C3CC3)C1)cc2=O ZINC000279372055 808954105 /nfs/dbraw/zinc/95/41/05/808954105.db2.gz RXODAHBXCJLGHO-ABAIWWIYSA-N 1 2 360.414 1.611 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)O[C@H](C3CC3)C1)cc2=O ZINC000279372055 808954107 /nfs/dbraw/zinc/95/41/07/808954107.db2.gz RXODAHBXCJLGHO-ABAIWWIYSA-N 1 2 360.414 1.611 20 10 FDCDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000893995732 809847790 /nfs/dbraw/zinc/84/77/90/809847790.db2.gz ZVWHZSKCLGRQDZ-LBPRGKRZSA-N 1 2 370.396 1.904 20 10 FDCDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2O)C1 ZINC000893995732 809847798 /nfs/dbraw/zinc/84/77/98/809847798.db2.gz ZVWHZSKCLGRQDZ-LBPRGKRZSA-N 1 2 370.396 1.904 20 10 FDCDLO C[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302407738 827714551 /nfs/dbraw/zinc/71/45/51/827714551.db2.gz HSYQHFXUKABOJL-AWEZNQCLSA-N 1 2 354.458 1.994 20 10 FDCDLO C[C@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000302407738 827714559 /nfs/dbraw/zinc/71/45/59/827714559.db2.gz HSYQHFXUKABOJL-AWEZNQCLSA-N 1 2 354.458 1.994 20 10 FDCDLO CC(=O)NCc1ncn2c1C[N@H+](Cc1cc(F)c(F)cc1O)CCC2 ZINC001142520513 840449546 /nfs/dbraw/zinc/44/95/46/840449546.db2.gz LFCUUYISODXAGR-UHFFFAOYSA-N 1 2 350.369 1.909 20 10 FDCDLO CC(=O)NCc1ncn2c1C[N@@H+](Cc1cc(F)c(F)cc1O)CCC2 ZINC001142520513 840449555 /nfs/dbraw/zinc/44/95/55/840449555.db2.gz LFCUUYISODXAGR-UHFFFAOYSA-N 1 2 350.369 1.909 20 10 FDCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CNOC1 ZINC000904425729 851210741 /nfs/dbraw/zinc/21/07/41/851210741.db2.gz XEKOMAALVWCVGD-QMMMGPOBSA-N 1 2 352.026 1.910 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)CNc3cccc[nH+]3)cc2)CC1 ZINC000907642144 854454180 /nfs/dbraw/zinc/45/41/80/854454180.db2.gz XISCQLDIUXATKE-UHFFFAOYSA-N 1 2 367.453 1.478 20 10 FDCDLO NC(=O)C1([NH2+]CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000762393354 875848945 /nfs/dbraw/zinc/84/89/45/875848945.db2.gz KOUIPYSRURRACU-UHFFFAOYSA-N 1 2 363.373 1.008 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000762577934 876168234 /nfs/dbraw/zinc/16/82/34/876168234.db2.gz BJQBLWGOCNJMPN-UHFFFAOYSA-N 1 2 360.395 1.341 20 10 FDCDLO C[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000707156907 886771322 /nfs/dbraw/zinc/77/13/22/886771322.db2.gz XTOFIQDVMBIJMF-JTQLQIEISA-N 1 2 363.277 1.620 20 10 FDCDLO Nc1ccc(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000238071625 889301342 /nfs/dbraw/zinc/30/13/42/889301342.db2.gz PZPNPWILUKATSX-UXHICEINSA-N 1 2 351.450 1.923 20 10 FDCDLO Nc1ccc(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000238071625 889301359 /nfs/dbraw/zinc/30/13/59/889301359.db2.gz PZPNPWILUKATSX-UXHICEINSA-N 1 2 351.450 1.923 20 10 FDCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(N)nc(N(C)C)n1 ZINC001168801454 928108676 /nfs/dbraw/zinc/10/86/76/928108676.db2.gz PDRBFMRYRGYMTJ-UONOGXRCSA-N 1 2 371.489 1.768 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785986856 931700906 /nfs/dbraw/zinc/70/09/06/931700906.db2.gz ZODMILVQUNIIPC-JTQLQIEISA-N 1 2 365.249 1.026 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785986856 931700910 /nfs/dbraw/zinc/70/09/10/931700910.db2.gz ZODMILVQUNIIPC-JTQLQIEISA-N 1 2 365.249 1.026 20 10 FDCDLO CN1CCN(c2cc(NCc3c(O)ccc4c3CCCC4)[nH+]cn2)CC1=O ZINC000811808895 941164768 /nfs/dbraw/zinc/16/47/68/941164768.db2.gz SUELWAMGPJWOQL-UHFFFAOYSA-N 1 2 367.453 1.952 20 10 FDCDLO CN1CCN(c2cc(NCc3c(O)ccc4c3CCCC4)nc[nH+]2)CC1=O ZINC000811808895 941164769 /nfs/dbraw/zinc/16/47/69/941164769.db2.gz SUELWAMGPJWOQL-UHFFFAOYSA-N 1 2 367.453 1.952 20 10 FDCDLO O=C1CN(Cc2ccccc2O)C(=O)N1CCc1cn2c([nH+]1)CCCC2 ZINC000819164339 943456533 /nfs/dbraw/zinc/45/65/33/943456533.db2.gz HETUJMNKTXISGC-UHFFFAOYSA-N 1 2 354.410 1.932 20 10 FDCDLO O=C(CNC(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675147 947450576 /nfs/dbraw/zinc/45/05/76/947450576.db2.gz HLQBAAUQYBTUQO-QFBILLFUSA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(CNC(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC001143675147 947450583 /nfs/dbraw/zinc/45/05/83/947450583.db2.gz HLQBAAUQYBTUQO-QFBILLFUSA-N 1 2 370.405 1.032 20 10 FDCDLO O=C(c1cccc(O)c1O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001148214156 952648838 /nfs/dbraw/zinc/64/88/38/952648838.db2.gz OUGMCHZCRIPADO-AWEZNQCLSA-N 1 2 357.410 1.993 20 10 FDCDLO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791209 958417109 /nfs/dbraw/zinc/41/71/09/958417109.db2.gz ZBHXJZYAQRLGQI-JTQLQIEISA-N 1 2 367.240 1.417 20 10 FDCDLO COc1ccc(-n2nnnc2C[N@@H+]2CC[C@@]3(CNC(C)=O)CCC[C@@H]23)cc1 ZINC001094343364 960270456 /nfs/dbraw/zinc/27/04/56/960270456.db2.gz TZJZIWBRVVPSMP-IEBWSBKVSA-N 1 2 370.457 1.552 20 10 FDCDLO COc1ccc(-n2nnnc2C[N@H+]2CC[C@@]3(CNC(C)=O)CCC[C@@H]23)cc1 ZINC001094343364 960270469 /nfs/dbraw/zinc/27/04/69/960270469.db2.gz TZJZIWBRVVPSMP-IEBWSBKVSA-N 1 2 370.457 1.552 20 10 FDCDLO COc1cccc(CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1O ZINC000774262607 961947600 /nfs/dbraw/zinc/94/76/00/961947600.db2.gz SGNLCQZZNDDLEX-UHFFFAOYSA-N 1 2 354.366 1.612 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001174950081 962992164 /nfs/dbraw/zinc/99/21/64/962992164.db2.gz NQZUBGCLANSSMU-SFHVURJKSA-N 1 2 366.421 1.963 20 10 FDCDLO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001174950081 962992172 /nfs/dbraw/zinc/99/21/72/962992172.db2.gz NQZUBGCLANSSMU-SFHVURJKSA-N 1 2 366.421 1.963 20 10 FDCDLO Cc1nocc1CNC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184361796 963543093 /nfs/dbraw/zinc/54/30/93/963543093.db2.gz KZPVPGZOCWKLHR-UHFFFAOYSA-N 1 2 371.393 1.852 20 10 FDCDLO Cc1nocc1CNC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184361796 963543098 /nfs/dbraw/zinc/54/30/98/963543098.db2.gz KZPVPGZOCWKLHR-UHFFFAOYSA-N 1 2 371.393 1.852 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(O)ccc1O ZINC001176755685 963546662 /nfs/dbraw/zinc/54/66/62/963546662.db2.gz SHINPVLPAITPDW-OAHLLOKOSA-N 1 2 360.414 1.211 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(O)ccc1O ZINC001176755685 963546670 /nfs/dbraw/zinc/54/66/70/963546670.db2.gz SHINPVLPAITPDW-OAHLLOKOSA-N 1 2 360.414 1.211 20 10 FDCDLO Cc1cc(CNC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)no1 ZINC001184354117 963558625 /nfs/dbraw/zinc/55/86/25/963558625.db2.gz ABHTXPKAFWYUSF-UHFFFAOYSA-N 1 2 371.393 1.852 20 10 FDCDLO Cc1cc(CNC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)no1 ZINC001184354117 963558632 /nfs/dbraw/zinc/55/86/32/963558632.db2.gz ABHTXPKAFWYUSF-UHFFFAOYSA-N 1 2 371.393 1.852 20 10 FDCDLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186841372 964765471 /nfs/dbraw/zinc/76/54/71/964765471.db2.gz QIEYPWYIWGVWRF-QGZVFWFLSA-N 1 2 371.437 1.729 20 10 FDCDLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186841372 964765478 /nfs/dbraw/zinc/76/54/78/964765478.db2.gz QIEYPWYIWGVWRF-QGZVFWFLSA-N 1 2 371.437 1.729 20 10 FDCDLO O=C(c1ccncc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000155325527 965132667 /nfs/dbraw/zinc/13/26/67/965132667.db2.gz DOFXLRIQNYHIHD-UHFFFAOYSA-N 1 2 366.465 1.876 20 10 FDCDLO O=C(NCCNc1cccc[nH+]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853240480 967939196 /nfs/dbraw/zinc/93/91/96/967939196.db2.gz HJVGOMJTPRKQJK-UHFFFAOYSA-N 1 2 369.469 1.954 20 10 FDCDLO CCOC(=O)C1(NC(=O)c2cc(O)c(O)c(Cl)c2)CC[NH+](C)CC1 ZINC001193625966 969773764 /nfs/dbraw/zinc/77/37/64/969773764.db2.gz QCFAVPPXOLKGNB-UHFFFAOYSA-N 1 2 356.806 1.509 20 10 FDCDLO COc1ccc(N2CCC(NC(=O)/C=C/C[NH+]3CCOCC3)CC2)cc1 ZINC000865116091 974109110 /nfs/dbraw/zinc/10/91/10/974109110.db2.gz SPGBTHRSQMFFTJ-NSCUHMNNSA-N 1 2 359.470 1.669 20 10 FDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000847365915 975536065 /nfs/dbraw/zinc/53/60/65/975536065.db2.gz GLBSBPBMKBGQEE-GDBMZVCRSA-N 1 2 369.469 1.606 20 10 FDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000847365915 975536071 /nfs/dbraw/zinc/53/60/71/975536071.db2.gz GLBSBPBMKBGQEE-GDBMZVCRSA-N 1 2 369.469 1.606 20 10 FDCDLO O=C(CCc1cn[nH]n1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764621 976012023 /nfs/dbraw/zinc/01/20/23/976012023.db2.gz PARDVXHJVPOCQB-OAHLLOKOSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1cn[nH]n1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764621 976012044 /nfs/dbraw/zinc/01/20/44/976012044.db2.gz PARDVXHJVPOCQB-OAHLLOKOSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1c[nH]nn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764621 976012055 /nfs/dbraw/zinc/01/20/55/976012055.db2.gz PARDVXHJVPOCQB-OAHLLOKOSA-N 1 2 363.849 1.877 20 10 FDCDLO O=C(CCc1c[nH]nn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764621 976012067 /nfs/dbraw/zinc/01/20/67/976012067.db2.gz PARDVXHJVPOCQB-OAHLLOKOSA-N 1 2 363.849 1.877 20 10 FDCDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3nncn3C)CC2)c1 ZINC000848925617 977240366 /nfs/dbraw/zinc/24/03/66/977240366.db2.gz ZAUDOPPZOGQXMN-UHFFFAOYSA-N 1 2 366.263 1.914 20 10 FDCDLO O=C(CC[NH2+]Cc1cc(Br)cc(F)c1O)N1CCOCC1 ZINC000882907536 981785795 /nfs/dbraw/zinc/78/57/95/981785795.db2.gz FTIYJMHINCDDQP-UHFFFAOYSA-N 1 2 361.211 1.632 20 10 FDCDLO COCCN1CCC[N@H+](Cc2c(O)cccc2Br)CC1=O ZINC000862338347 984340944 /nfs/dbraw/zinc/34/09/44/984340944.db2.gz AJDQUGBBSWZVNJ-UHFFFAOYSA-N 1 2 357.248 1.835 20 10 FDCDLO COCCN1CCC[N@@H+](Cc2c(O)cccc2Br)CC1=O ZINC000862338347 984340957 /nfs/dbraw/zinc/34/09/57/984340957.db2.gz AJDQUGBBSWZVNJ-UHFFFAOYSA-N 1 2 357.248 1.835 20 10 FDCDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000869024348 984764116 /nfs/dbraw/zinc/76/41/16/984764116.db2.gz GAZXRWNNJZNDNU-UHFFFAOYSA-N 1 2 363.458 1.998 20 10 FDCDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3cccc(O)c3O)CC1)CCCC2 ZINC000365548882 990287094 /nfs/dbraw/zinc/28/70/94/990287094.db2.gz AUAQHAPYANVCIB-UHFFFAOYSA-N 1 2 370.453 1.897 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC000875007011 990720092 /nfs/dbraw/zinc/72/00/92/990720092.db2.gz PWNATWFQUNGXBJ-LJQANCHMSA-N 1 2 366.465 1.672 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC000875007011 990720105 /nfs/dbraw/zinc/72/01/05/990720105.db2.gz PWNATWFQUNGXBJ-LJQANCHMSA-N 1 2 366.465 1.672 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875749428 991970079 /nfs/dbraw/zinc/97/00/79/991970079.db2.gz LNLAQDOISJOVBO-HNNXBMFYSA-N 1 2 355.442 1.268 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000877611191 993379765 /nfs/dbraw/zinc/37/97/65/993379765.db2.gz XWHCFPKJCHWLDF-INIZCTEOSA-N 1 2 359.474 1.891 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000877611191 993379783 /nfs/dbraw/zinc/37/97/83/993379783.db2.gz XWHCFPKJCHWLDF-INIZCTEOSA-N 1 2 359.474 1.891 20 10 FDCDLO COc1ccc(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)c(OC)c1 ZINC000879463309 994928734 /nfs/dbraw/zinc/92/87/34/994928734.db2.gz VEIWSKADVHEDEU-INIZCTEOSA-N 1 2 361.442 1.809 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncccc3C)CC2)cc1 ZINC000267383947 999325065 /nfs/dbraw/zinc/32/50/65/999325065.db2.gz SQIAXVYDVULVOB-UHFFFAOYSA-N 1 2 354.454 1.951 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000283840758 999761915 /nfs/dbraw/zinc/76/19/15/999761915.db2.gz CLROHUFDKJJUBH-OAHLLOKOSA-N 1 2 373.457 1.267 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000283840758 999761918 /nfs/dbraw/zinc/76/19/18/999761918.db2.gz CLROHUFDKJJUBH-OAHLLOKOSA-N 1 2 373.457 1.267 20 10 FDCDLO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000778229851 1005717112 /nfs/dbraw/zinc/71/71/12/1005717112.db2.gz AILNUYQYUHGOOM-YOEHRIQHSA-N 1 2 367.440 1.958 20 10 FDCDLO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000778229851 1005717114 /nfs/dbraw/zinc/71/71/14/1005717114.db2.gz AILNUYQYUHGOOM-YOEHRIQHSA-N 1 2 367.440 1.958 20 10 FDCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000530106677 539886365 /nfs/dbraw/zinc/88/63/65/539886365.db2.gz ZJRAUWXEDWMJLV-CQSZACIVSA-N 1 2 351.447 1.525 20 10 FDCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000530106677 539886368 /nfs/dbraw/zinc/88/63/68/539886368.db2.gz ZJRAUWXEDWMJLV-CQSZACIVSA-N 1 2 351.447 1.525 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170648712 525657324 /nfs/dbraw/zinc/65/73/24/525657324.db2.gz AMOJEOWWEFVCGJ-UHFFFAOYSA-N 1 2 368.485 1.323 20 10 FDCDLO O=S(=O)(Cc1ccon1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180214204 525674732 /nfs/dbraw/zinc/67/47/32/525674732.db2.gz ARUHCNIYIWYAOL-UHFFFAOYSA-N 1 2 355.391 1.167 20 10 FDCDLO CS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261583 526140179 /nfs/dbraw/zinc/14/01/79/526140179.db2.gz KZVYPHRWOWZDCY-CQSZACIVSA-N 1 2 374.890 1.561 20 10 FDCDLO CS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261583 526140184 /nfs/dbraw/zinc/14/01/84/526140184.db2.gz KZVYPHRWOWZDCY-CQSZACIVSA-N 1 2 374.890 1.561 20 10 FDCDLO CCS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266830 526144041 /nfs/dbraw/zinc/14/40/41/526144041.db2.gz ZMYRPIMMMFJKDW-CQSZACIVSA-N 1 2 374.890 1.561 20 10 FDCDLO CCS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266830 526144050 /nfs/dbraw/zinc/14/40/50/526144050.db2.gz ZMYRPIMMMFJKDW-CQSZACIVSA-N 1 2 374.890 1.561 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134319110 526148448 /nfs/dbraw/zinc/14/84/48/526148448.db2.gz FMZFKQAXIQUJMJ-CQSZACIVSA-N 1 2 358.435 1.636 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000134319110 526148454 /nfs/dbraw/zinc/14/84/54/526148454.db2.gz FMZFKQAXIQUJMJ-CQSZACIVSA-N 1 2 358.435 1.636 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000184673537 536175264 /nfs/dbraw/zinc/17/52/64/536175264.db2.gz VVILCHNFKBYTPM-CQSZACIVSA-N 1 2 354.834 1.877 20 10 FDCDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000188886786 536965109 /nfs/dbraw/zinc/96/51/09/536965109.db2.gz VCICYQBPAKZPGS-AWEZNQCLSA-N 1 2 356.426 1.582 20 10 FDCDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000263777891 537097432 /nfs/dbraw/zinc/09/74/32/537097432.db2.gz JYCSHVUWAYQJOJ-UHFFFAOYSA-N 1 2 364.427 1.507 20 10 FDCDLO COC(C[N@H+](CCCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1)OC ZINC000272777013 537337616 /nfs/dbraw/zinc/33/76/16/537337616.db2.gz XACFNKBVKNSBLO-UHFFFAOYSA-N 1 2 367.490 1.014 20 10 FDCDLO COC(C[N@@H+](CCCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1)OC ZINC000272777013 537337626 /nfs/dbraw/zinc/33/76/26/537337626.db2.gz XACFNKBVKNSBLO-UHFFFAOYSA-N 1 2 367.490 1.014 20 10 FDCDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348947 537401895 /nfs/dbraw/zinc/40/18/95/537401895.db2.gz IFKLZVFOEFKHGJ-OXJNMPFZSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCO2 ZINC000280348947 537401901 /nfs/dbraw/zinc/40/19/01/537401901.db2.gz IFKLZVFOEFKHGJ-OXJNMPFZSA-N 1 2 361.486 1.591 20 10 FDCDLO Cc1cc(Br)cc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)c1O ZINC000271790784 537495688 /nfs/dbraw/zinc/49/56/88/537495688.db2.gz JDAJAIHNJMEKRI-UHFFFAOYSA-N 1 2 370.291 1.845 20 10 FDCDLO Cc1cc(Br)cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)c1O ZINC000271790784 537495693 /nfs/dbraw/zinc/49/56/93/537495693.db2.gz JDAJAIHNJMEKRI-UHFFFAOYSA-N 1 2 370.291 1.845 20 10 FDCDLO COCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000293953851 537630804 /nfs/dbraw/zinc/63/08/04/537630804.db2.gz PHCBSXZBKPZGTI-LLVKDONJSA-N 1 2 351.827 1.820 20 10 FDCDLO COCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000293953851 537630802 /nfs/dbraw/zinc/63/08/02/537630802.db2.gz PHCBSXZBKPZGTI-LLVKDONJSA-N 1 2 351.827 1.820 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1nc(C)no1)cc2=O ZINC000285753991 537755996 /nfs/dbraw/zinc/75/59/96/537755996.db2.gz RTZIHJOTDYKYSC-ZDUSSCGKSA-N 1 2 372.385 1.640 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1nc(C)no1)cc2=O ZINC000285753991 537755998 /nfs/dbraw/zinc/75/59/98/537755998.db2.gz RTZIHJOTDYKYSC-ZDUSSCGKSA-N 1 2 372.385 1.640 20 10 FDCDLO CCS(=O)(=O)CC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000377491609 537969726 /nfs/dbraw/zinc/96/97/26/537969726.db2.gz ZBUKQXXXVVTFFQ-UHFFFAOYSA-N 1 2 354.472 1.557 20 10 FDCDLO CN(C)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1F ZINC000274228293 674588154 /nfs/dbraw/zinc/58/81/54/674588154.db2.gz PSIBQEMVNIREAP-UHFFFAOYSA-N 1 2 359.467 1.033 20 10 FDCDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc(Br)c1O)CC2 ZINC000093756474 671522509 /nfs/dbraw/zinc/52/25/09/671522509.db2.gz LAQMBLIFMVHGDG-UHFFFAOYSA-N 1 2 350.216 1.807 20 10 FDCDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cccc(Br)c1O)CC2 ZINC000093756474 671522514 /nfs/dbraw/zinc/52/25/14/671522514.db2.gz LAQMBLIFMVHGDG-UHFFFAOYSA-N 1 2 350.216 1.807 20 10 FDCDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294840722 676397719 /nfs/dbraw/zinc/39/77/19/676397719.db2.gz ZDJAWKVUFKBJDA-UHFFFAOYSA-N 1 2 350.843 1.946 20 10 FDCDLO COc1cc(O)c(CN2CCC[N@H+](CC(=O)N(C)C)CC2)cc1OC ZINC000378439972 678747161 /nfs/dbraw/zinc/74/71/61/678747161.db2.gz XRPNEZVXDZGVDN-UHFFFAOYSA-N 1 2 351.447 1.005 20 10 FDCDLO COc1cc(O)c(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1OC ZINC000378439972 678747165 /nfs/dbraw/zinc/74/71/65/678747165.db2.gz XRPNEZVXDZGVDN-UHFFFAOYSA-N 1 2 351.447 1.005 20 10 FDCDLO NC(=O)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000364235277 795511843 /nfs/dbraw/zinc/51/18/43/795511843.db2.gz PEYSLRZOPAGBKE-OAHLLOKOSA-N 1 2 357.414 1.342 20 10 FDCDLO NC(=O)c1noc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000364235277 795511847 /nfs/dbraw/zinc/51/18/47/795511847.db2.gz PEYSLRZOPAGBKE-OAHLLOKOSA-N 1 2 357.414 1.342 20 10 FDCDLO COc1ccc(N2CCN(C(=O)CNc3cccc[nH+]3)CC2)c(OC)c1 ZINC000913482407 862240755 /nfs/dbraw/zinc/24/07/55/862240755.db2.gz OSIYJCQSLQOIBI-UHFFFAOYSA-N 1 2 356.426 1.860 20 10 FDCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000789751575 933180129 /nfs/dbraw/zinc/18/01/29/933180129.db2.gz CNODPAZCLFYIOP-INIZCTEOSA-N 1 2 371.485 1.893 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000807101538 940250307 /nfs/dbraw/zinc/25/03/07/940250307.db2.gz ZGFIJHXQTZFMNY-INIZCTEOSA-N 1 2 369.469 1.427 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000809460750 940842885 /nfs/dbraw/zinc/84/28/85/940842885.db2.gz QIOCLANPEGQLJX-INIZCTEOSA-N 1 2 369.469 1.429 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000817173280 942610158 /nfs/dbraw/zinc/61/01/58/942610158.db2.gz JXIRWMNWYMOKCZ-OAHLLOKOSA-N 1 2 357.458 1.121 20 10 FDCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000817849682 943011881 /nfs/dbraw/zinc/01/18/81/943011881.db2.gz OCGWDFUJQSBNCF-UHFFFAOYSA-N 1 2 371.485 1.584 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000856209604 970982785 /nfs/dbraw/zinc/98/27/85/970982785.db2.gz UIKUSRGCPWSCLX-MRXNPFEDSA-N 1 2 354.454 1.723 20 10 FDCDLO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000819695838 943695621 /nfs/dbraw/zinc/69/56/21/943695621.db2.gz ARDFZBQOAJDQDN-HNNXBMFYSA-N 1 2 357.410 1.743 20 10 FDCDLO CCOC(=O)C[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1O ZINC000823582139 945835698 /nfs/dbraw/zinc/83/56/98/945835698.db2.gz ZTCDXWCPDGLYKG-UHFFFAOYSA-N 1 2 350.415 1.006 20 10 FDCDLO CCOC(=O)C[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1O ZINC000823582139 945835711 /nfs/dbraw/zinc/83/57/11/945835711.db2.gz ZTCDXWCPDGLYKG-UHFFFAOYSA-N 1 2 350.415 1.006 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000824897291 946844163 /nfs/dbraw/zinc/84/41/63/946844163.db2.gz TUQCEMSUYCNILD-UHFFFAOYSA-N 1 2 351.827 1.868 20 10 FDCDLO O=C(c1cc(O)c(O)c(O)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001148582558 952757204 /nfs/dbraw/zinc/75/72/04/952757204.db2.gz KWGJLLYAPMCFIG-ZDUSSCGKSA-N 1 2 373.409 1.699 20 10 FDCDLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715824885 958480858 /nfs/dbraw/zinc/48/08/58/958480858.db2.gz AWFPYTCAJATPOQ-SNVBAGLBSA-N 1 2 352.225 1.961 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000774212582 961842217 /nfs/dbraw/zinc/84/22/17/961842217.db2.gz HSGIFFHYYNHFEG-LLVKDONJSA-N 1 2 354.366 1.864 20 10 FDCDLO CCOC(=O)C[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1O ZINC000852191085 967078729 /nfs/dbraw/zinc/07/87/29/967078729.db2.gz BKQTYMNOPHAHME-UHFFFAOYSA-N 1 2 361.446 1.742 20 10 FDCDLO CCOC(=O)C[N@@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1O ZINC000852191085 967078736 /nfs/dbraw/zinc/07/87/36/967078736.db2.gz BKQTYMNOPHAHME-UHFFFAOYSA-N 1 2 361.446 1.742 20 10 FDCDLO Cc1cc(C(=O)C[N@@H+]2CCC(=O)N(C)CC2)c(C)n1-c1ccc(F)cn1 ZINC000852578555 967444553 /nfs/dbraw/zinc/44/45/53/967444553.db2.gz PHFHKGNPSHULKC-UHFFFAOYSA-N 1 2 358.417 1.975 20 10 FDCDLO Cc1cc(C(=O)C[N@H+]2CCC(=O)N(C)CC2)c(C)n1-c1ccc(F)cn1 ZINC000852578555 967444558 /nfs/dbraw/zinc/44/45/58/967444558.db2.gz PHFHKGNPSHULKC-UHFFFAOYSA-N 1 2 358.417 1.975 20 10 FDCDLO C[C@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC001192892156 969351297 /nfs/dbraw/zinc/35/12/97/969351297.db2.gz XTBVUECSBLDIBY-ZDUSSCGKSA-N 1 2 357.462 1.207 20 10 FDCDLO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(F)c2O)C1=O ZINC000776230347 975219991 /nfs/dbraw/zinc/21/99/91/975219991.db2.gz GESKQHSXKFXQEN-QLJPJBMISA-N 1 2 355.797 1.995 20 10 FDCDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000847365924 975536255 /nfs/dbraw/zinc/53/62/55/975536255.db2.gz GLBSBPBMKBGQEE-ZBFHGGJFSA-N 1 2 369.469 1.606 20 10 FDCDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000847365924 975536262 /nfs/dbraw/zinc/53/62/62/975536262.db2.gz GLBSBPBMKBGQEE-ZBFHGGJFSA-N 1 2 369.469 1.606 20 10 FDCDLO CC(C)C[C@@H]1NC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878662 977110316 /nfs/dbraw/zinc/11/03/16/977110316.db2.gz BIEXAOTXYADZCY-SFHVURJKSA-N 1 2 374.485 1.879 20 10 FDCDLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878662 977110326 /nfs/dbraw/zinc/11/03/26/977110326.db2.gz BIEXAOTXYADZCY-SFHVURJKSA-N 1 2 374.485 1.879 20 10 FDCDLO CC(C)C[C@H]1NC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878663 977110825 /nfs/dbraw/zinc/11/08/25/977110825.db2.gz BIEXAOTXYADZCY-GOSISDBHSA-N 1 2 374.485 1.879 20 10 FDCDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000016878663 977110836 /nfs/dbraw/zinc/11/08/36/977110836.db2.gz BIEXAOTXYADZCY-GOSISDBHSA-N 1 2 374.485 1.879 20 10 FDCDLO COc1nccnc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356786 978333448 /nfs/dbraw/zinc/33/34/48/978333448.db2.gz WQTSJYZQWNCUKZ-UHFFFAOYSA-N 1 2 362.455 1.010 20 10 FDCDLO COc1ccc(O)c(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c1 ZINC000881924104 980295881 /nfs/dbraw/zinc/29/58/81/980295881.db2.gz IGNZQNMWZLYWNT-UHFFFAOYSA-N 1 2 362.451 1.867 20 10 FDCDLO COc1ccc(O)c(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c1 ZINC000881924104 980295885 /nfs/dbraw/zinc/29/58/85/980295885.db2.gz IGNZQNMWZLYWNT-UHFFFAOYSA-N 1 2 362.451 1.867 20 10 FDCDLO CN(C)c1ccc(C[NH2+]Cc2nnc3n2CCNC3=O)c(C(F)(F)F)c1 ZINC000883294488 982051007 /nfs/dbraw/zinc/05/10/07/982051007.db2.gz ZYDMGRLYTQBZAY-UHFFFAOYSA-N 1 2 368.363 1.396 20 10 FDCDLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Cl)c(Cl)cc1O ZINC000883303760 982059777 /nfs/dbraw/zinc/05/97/77/982059777.db2.gz GBBRSPOUZCLHDA-SSDOTTSWSA-N 1 2 356.213 1.885 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000859891313 983066622 /nfs/dbraw/zinc/06/66/22/983066622.db2.gz PQCCHQSIEDIKHR-QGZVFWFLSA-N 1 2 355.442 1.702 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000859891313 983066628 /nfs/dbraw/zinc/06/66/28/983066628.db2.gz PQCCHQSIEDIKHR-QGZVFWFLSA-N 1 2 355.442 1.702 20 10 FDCDLO COc1c(O)c(C[NH2+]C(c2ccnn2C)c2ccnn2C)ccc1[N+](=O)[O-] ZINC000862541050 984408722 /nfs/dbraw/zinc/40/87/22/984408722.db2.gz OBJYTOCIVUWYOO-UHFFFAOYSA-N 1 2 372.385 1.655 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204575 986788005 /nfs/dbraw/zinc/78/80/05/986788005.db2.gz GYRHBCAHBXNTAN-INIZCTEOSA-N 1 2 356.426 1.731 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204575 986788017 /nfs/dbraw/zinc/78/80/17/986788017.db2.gz GYRHBCAHBXNTAN-INIZCTEOSA-N 1 2 356.426 1.731 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204576 986788179 /nfs/dbraw/zinc/78/81/79/986788179.db2.gz GYRHBCAHBXNTAN-MRXNPFEDSA-N 1 2 356.426 1.731 20 10 FDCDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204576 986788184 /nfs/dbraw/zinc/78/81/84/986788184.db2.gz GYRHBCAHBXNTAN-MRXNPFEDSA-N 1 2 356.426 1.731 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000371014792 990180742 /nfs/dbraw/zinc/18/07/42/990180742.db2.gz CCIDUWIWUJXCFO-HNNXBMFYSA-N 1 2 372.444 1.862 20 10 FDCDLO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3nc[nH]n3)cc2F)CC1 ZINC000374744678 992934297 /nfs/dbraw/zinc/93/42/97/992934297.db2.gz SUOZQWKQSSXELC-CABCVRRESA-N 1 2 372.448 1.506 20 10 FDCDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877694966 993449540 /nfs/dbraw/zinc/44/95/40/993449540.db2.gz IZMBDXDXIRTSFD-LJQANCHMSA-N 1 2 367.442 1.960 20 10 FDCDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000877694966 993449547 /nfs/dbraw/zinc/44/95/47/993449547.db2.gz IZMBDXDXIRTSFD-LJQANCHMSA-N 1 2 367.442 1.960 20 10 FDCDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000925586863 995671299 /nfs/dbraw/zinc/67/12/99/995671299.db2.gz UTZZQWNTPSCLGC-KBPBESRZSA-N 1 2 351.447 1.872 20 10 FDCDLO COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]nc(C)c3C)CC2)cc1 ZINC000265255789 997736081 /nfs/dbraw/zinc/73/60/81/997736081.db2.gz SWAAYLYQGFHSNA-UHFFFAOYSA-N 1 2 371.485 1.977 20 10 FDCDLO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000778229835 1005717081 /nfs/dbraw/zinc/71/70/81/1005717081.db2.gz AILNUYQYUHGOOM-RHSMWYFYSA-N 1 2 367.440 1.958 20 10 FDCDLO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1F ZINC000778229835 1005717084 /nfs/dbraw/zinc/71/70/84/1005717084.db2.gz AILNUYQYUHGOOM-RHSMWYFYSA-N 1 2 367.440 1.958 20 10 FDCDLO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000934939682 1005818644 /nfs/dbraw/zinc/81/86/44/1005818644.db2.gz BPELMJFQKSPOOO-SIIHOXLZSA-N 1 2 364.442 1.458 20 10 FDCDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1 ZINC000247673057 1007047862 /nfs/dbraw/zinc/04/78/62/1007047862.db2.gz QJQZFPZCWBZUAQ-SJLPKXTDSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1 ZINC000247673057 1007047875 /nfs/dbraw/zinc/04/78/75/1007047875.db2.gz QJQZFPZCWBZUAQ-SJLPKXTDSA-N 1 2 361.486 1.843 20 10 FDCDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000268999485 674104990 /nfs/dbraw/zinc/10/49/90/674104990.db2.gz SXXLOWJVTQYDHU-UHFFFAOYSA-N 1 2 352.416 1.123 20 10 FDCDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000271169550 674317841 /nfs/dbraw/zinc/31/78/41/674317841.db2.gz IJZSNOMAAYFMKT-UHFFFAOYSA-N 1 2 353.438 1.199 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000047342554 522499404 /nfs/dbraw/zinc/49/94/04/522499404.db2.gz LCWLOSKNBJMAJK-UHFFFAOYSA-N 1 2 354.454 1.727 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000047342554 522499411 /nfs/dbraw/zinc/49/94/11/522499411.db2.gz LCWLOSKNBJMAJK-UHFFFAOYSA-N 1 2 354.454 1.727 20 10 FDCDLO CN(C)c1ccc(CNC(=O)CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000091077375 524635052 /nfs/dbraw/zinc/63/50/52/524635052.db2.gz WTPHFRUFPPXAIG-UHFFFAOYSA-N 1 2 367.497 1.582 20 10 FDCDLO O=C(C[N@@H+]1CCc2n[nH]cc2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000091078260 524639176 /nfs/dbraw/zinc/63/91/76/524639176.db2.gz NCXPCWLZHMTNOT-UHFFFAOYSA-N 1 2 373.432 1.060 20 10 FDCDLO O=C(C[N@H+]1CCc2n[nH]cc2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000091078260 524639179 /nfs/dbraw/zinc/63/91/79/524639179.db2.gz NCXPCWLZHMTNOT-UHFFFAOYSA-N 1 2 373.432 1.060 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000118852942 525564350 /nfs/dbraw/zinc/56/43/50/525564350.db2.gz NYTNCOHXFPDOSA-UHFFFAOYSA-N 1 2 355.442 1.125 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000118852942 525564359 /nfs/dbraw/zinc/56/43/59/525564359.db2.gz NYTNCOHXFPDOSA-UHFFFAOYSA-N 1 2 355.442 1.125 20 10 FDCDLO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1cnn(C)c1 ZINC000171349020 525959447 /nfs/dbraw/zinc/95/94/47/525959447.db2.gz KERYNIPMLARAMG-UHFFFAOYSA-N 1 2 371.485 1.599 20 10 FDCDLO CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1cnn(C)c1 ZINC000171349020 525959451 /nfs/dbraw/zinc/95/94/51/525959451.db2.gz KERYNIPMLARAMG-UHFFFAOYSA-N 1 2 371.485 1.599 20 10 FDCDLO C[C@H]1OCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000155985783 526027759 /nfs/dbraw/zinc/02/77/59/526027759.db2.gz PLQPIWBAGHGSAD-LSDHHAIUSA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000155985783 526027770 /nfs/dbraw/zinc/02/77/70/526027770.db2.gz PLQPIWBAGHGSAD-LSDHHAIUSA-N 1 2 365.449 1.388 20 10 FDCDLO C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1CCN(C)CC1 ZINC000263713158 537075924 /nfs/dbraw/zinc/07/59/24/537075924.db2.gz VMRBLNGUMIQKQO-KRWDZBQOSA-N 1 2 360.502 1.118 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCO[C@H](C(C)(C)C)C1)cc2=O ZINC000279677546 537351611 /nfs/dbraw/zinc/35/16/11/537351611.db2.gz DZYVGODPYFRVBJ-AWEZNQCLSA-N 1 2 362.430 1.859 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCO[C@H](C(C)(C)C)C1)cc2=O ZINC000279677546 537351620 /nfs/dbraw/zinc/35/16/20/537351620.db2.gz DZYVGODPYFRVBJ-AWEZNQCLSA-N 1 2 362.430 1.859 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cc[nH]n3)CC2)cc1 ZINC000286121412 537420724 /nfs/dbraw/zinc/42/07/24/537420724.db2.gz MEFSLVUXGZVJPU-LJQANCHMSA-N 1 2 369.469 1.904 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3cc[nH]n3)CC2)cc1 ZINC000286121412 537420731 /nfs/dbraw/zinc/42/07/31/537420731.db2.gz MEFSLVUXGZVJPU-LJQANCHMSA-N 1 2 369.469 1.904 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000362936570 537599120 /nfs/dbraw/zinc/59/91/20/537599120.db2.gz UHIUWYSSSAZNOY-UHFFFAOYSA-N 1 2 374.529 1.949 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000362936570 537599127 /nfs/dbraw/zinc/59/91/27/537599127.db2.gz UHIUWYSSSAZNOY-UHFFFAOYSA-N 1 2 374.529 1.949 20 10 FDCDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc[nH+]1 ZINC000294428399 537694569 /nfs/dbraw/zinc/69/45/69/537694569.db2.gz OVNPNJMKBDKEGE-CYBMUJFWSA-N 1 2 361.421 1.857 20 10 FDCDLO C[C@@H](O)CNc1cc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]cn1 ZINC000294428399 537694571 /nfs/dbraw/zinc/69/45/71/537694571.db2.gz OVNPNJMKBDKEGE-CYBMUJFWSA-N 1 2 361.421 1.857 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000472230679 538605661 /nfs/dbraw/zinc/60/56/61/538605661.db2.gz HCWOLTNCHRXOCM-UHFFFAOYSA-N 1 2 371.485 1.578 20 10 FDCDLO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000583637609 551380833 /nfs/dbraw/zinc/38/08/33/551380833.db2.gz FFWQVCOZAXMBAY-AWEZNQCLSA-N 1 2 365.437 1.431 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)cc1 ZINC000051230414 778199295 /nfs/dbraw/zinc/19/92/95/778199295.db2.gz RWXPCJPQECLCBV-UHFFFAOYSA-N 1 2 357.458 1.209 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000728940835 781116147 /nfs/dbraw/zinc/11/61/47/781116147.db2.gz IHWGOLWCSYEOHQ-ZDUSSCGKSA-N 1 2 351.447 1.872 20 10 FDCDLO Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc2[nH+]1 ZINC000785294327 804810841 /nfs/dbraw/zinc/81/08/41/804810841.db2.gz MHLJSKSLQOKFIV-NSHDSACASA-N 1 2 368.393 1.740 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000279442257 808997613 /nfs/dbraw/zinc/99/76/13/808997613.db2.gz ZWSPWMRALVSJTG-MOTZXUDYSA-N 1 2 373.497 1.716 20 10 FDCDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273633351 814798434 /nfs/dbraw/zinc/79/84/34/814798434.db2.gz SLOKBLIZAASDBR-UHFFFAOYSA-N 1 2 365.474 1.703 20 10 FDCDLO COCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000894489589 818118614 /nfs/dbraw/zinc/11/86/14/818118614.db2.gz AOWCDCQMBYAGIQ-CYBMUJFWSA-N 1 2 359.444 1.045 20 10 FDCDLO COCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000894489589 818118621 /nfs/dbraw/zinc/11/86/21/818118621.db2.gz AOWCDCQMBYAGIQ-CYBMUJFWSA-N 1 2 359.444 1.045 20 10 FDCDLO COc1ccc(C[N@@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)c(O)c1OC ZINC000894811643 818480407 /nfs/dbraw/zinc/48/04/07/818480407.db2.gz XNEDMAJVTHOHMP-CYBMUJFWSA-N 1 2 374.441 1.787 20 10 FDCDLO COc1ccc(C[N@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)c(O)c1OC ZINC000894811643 818480415 /nfs/dbraw/zinc/48/04/15/818480415.db2.gz XNEDMAJVTHOHMP-CYBMUJFWSA-N 1 2 374.441 1.787 20 10 FDCDLO COc1ccc(C[N@@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c(O)c1OC ZINC000894811643 818480421 /nfs/dbraw/zinc/48/04/21/818480421.db2.gz XNEDMAJVTHOHMP-CYBMUJFWSA-N 1 2 374.441 1.787 20 10 FDCDLO COc1ccc(C[N@H+]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)c(O)c1OC ZINC000894811643 818480426 /nfs/dbraw/zinc/48/04/26/818480426.db2.gz XNEDMAJVTHOHMP-CYBMUJFWSA-N 1 2 374.441 1.787 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)c(OC)c1 ZINC000895817294 822757191 /nfs/dbraw/zinc/75/71/91/822757191.db2.gz NCFFHLXLYOZTQK-UHFFFAOYSA-N 1 2 358.442 1.753 20 10 FDCDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897235271 827246741 /nfs/dbraw/zinc/24/67/41/827246741.db2.gz QFSOXHFVGMPNEE-LBPRGKRZSA-N 1 2 366.439 1.078 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C[C@H]3CO)ccc21 ZINC000912743955 860131698 /nfs/dbraw/zinc/13/16/98/860131698.db2.gz KBELLNOLLSSROT-KRWDZBQOSA-N 1 2 359.470 1.653 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)ccc21 ZINC000912743955 860131705 /nfs/dbraw/zinc/13/17/05/860131705.db2.gz KBELLNOLLSSROT-KRWDZBQOSA-N 1 2 359.470 1.653 20 10 FDCDLO CN1CC[N@H+](C)[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761283171 864841889 /nfs/dbraw/zinc/84/18/89/864841889.db2.gz RFPAGBPLVALMDN-AWEZNQCLSA-N 1 2 366.849 1.056 20 10 FDCDLO CN1CC[N@@H+](C)[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761283171 864841906 /nfs/dbraw/zinc/84/19/06/864841906.db2.gz RFPAGBPLVALMDN-AWEZNQCLSA-N 1 2 366.849 1.056 20 10 FDCDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000172615607 865719147 /nfs/dbraw/zinc/71/91/47/865719147.db2.gz BNSNOKBGFCAIOT-CQSZACIVSA-N 1 2 352.442 1.762 20 10 FDCDLO Nc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000262674842 883912652 /nfs/dbraw/zinc/91/26/52/883912652.db2.gz RFKRVUJQUCOSHK-FQEVSTJZSA-N 1 2 353.466 1.871 20 10 FDCDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cccc(Br)c1O ZINC000764790295 905693497 /nfs/dbraw/zinc/69/34/97/905693497.db2.gz JLEVPGBJDDJPCW-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cccc(Br)c1O ZINC000764790295 905693506 /nfs/dbraw/zinc/69/35/06/905693506.db2.gz JLEVPGBJDDJPCW-NSHDSACASA-N 1 2 372.263 1.675 20 10 FDCDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933067 906009271 /nfs/dbraw/zinc/00/92/71/906009271.db2.gz NUKXBTVNQBPJOA-DLBZAZTESA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000764933067 906009286 /nfs/dbraw/zinc/00/92/86/906009286.db2.gz NUKXBTVNQBPJOA-DLBZAZTESA-N 1 2 361.486 1.843 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000785434893 907390492 /nfs/dbraw/zinc/39/04/92/907390492.db2.gz WOIYCJOHIPXKDD-OAHLLOKOSA-N 1 2 355.442 1.118 20 10 FDCDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C)o1 ZINC001082953746 911092713 /nfs/dbraw/zinc/09/27/13/911092713.db2.gz XINYFDSYFIGPQG-QMTHXVAHSA-N 1 2 371.401 1.791 20 10 FDCDLO CN(C)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000731358296 917996038 /nfs/dbraw/zinc/99/60/38/917996038.db2.gz MWCHDEHZCNBVBR-UHFFFAOYSA-N 1 2 372.473 1.603 20 10 FDCDLO COC(=O)C[N@H+](CCN1CCOCC1)Cc1c(O)ccc2ccncc21 ZINC000746379254 927929543 /nfs/dbraw/zinc/92/95/43/927929543.db2.gz DEPNRXKJCNRTLG-UHFFFAOYSA-N 1 2 359.426 1.248 20 10 FDCDLO COC(=O)C[N@@H+](CCN1CCOCC1)Cc1c(O)ccc2ccncc21 ZINC000746379254 927929550 /nfs/dbraw/zinc/92/95/50/927929550.db2.gz DEPNRXKJCNRTLG-UHFFFAOYSA-N 1 2 359.426 1.248 20 10 FDCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCSc1nccs1 ZINC000789090819 932933332 /nfs/dbraw/zinc/93/33/32/932933332.db2.gz MXPGZZCXFVLQBS-CYBMUJFWSA-N 1 2 358.533 1.987 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cn(C(C)C)nn3)CC2)cc1 ZINC000794256501 938376568 /nfs/dbraw/zinc/37/65/68/938376568.db2.gz ZQNKSHXVBDNBQA-UHFFFAOYSA-N 1 2 372.473 1.420 20 10 FDCDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000811499277 941136758 /nfs/dbraw/zinc/13/67/58/941136758.db2.gz IAMGXLLXXUEUGQ-UHFFFAOYSA-N 1 2 351.831 1.203 20 10 FDCDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000811924863 941173003 /nfs/dbraw/zinc/17/30/03/941173003.db2.gz NJSYIIWVHGCZPP-UHFFFAOYSA-N 1 2 357.458 1.628 20 10 FDCDLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816600144 942271979 /nfs/dbraw/zinc/27/19/79/942271979.db2.gz MHAZBBQUITXBEF-ZANVPECISA-N 1 2 350.843 1.992 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000817850408 943013821 /nfs/dbraw/zinc/01/38/21/943013821.db2.gz WHXPXMGROCZOLO-UHFFFAOYSA-N 1 2 357.458 1.194 20 10 FDCDLO CCS(=O)(=O)NCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715721524 958406773 /nfs/dbraw/zinc/40/67/73/958406773.db2.gz MRQPXFFDWHQOFB-UHFFFAOYSA-N 1 2 355.229 1.323 20 10 FDCDLO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715826915 958480647 /nfs/dbraw/zinc/48/06/47/958480647.db2.gz KIKIXWLGJHQOBH-UHFFFAOYSA-N 1 2 355.229 1.275 20 10 FDCDLO Cc1nnc(CNC(=O)C[N@@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)o1 ZINC001184359247 963541472 /nfs/dbraw/zinc/54/14/72/963541472.db2.gz AXQUIMWQHJRPAI-UHFFFAOYSA-N 1 2 372.381 1.247 20 10 FDCDLO Cc1nnc(CNC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2O)o1 ZINC001184359247 963541483 /nfs/dbraw/zinc/54/14/83/963541483.db2.gz AXQUIMWQHJRPAI-UHFFFAOYSA-N 1 2 372.381 1.247 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CCOC[C@@H]3C)C2)cc1 ZINC000852192566 967081819 /nfs/dbraw/zinc/08/18/19/967081819.db2.gz VPAMQAVOIATLGW-HOTGVXAUSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CCOC[C@@H]3C)C2)cc1 ZINC000852192566 967081827 /nfs/dbraw/zinc/08/18/27/967081827.db2.gz VPAMQAVOIATLGW-HOTGVXAUSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000852448000 967322500 /nfs/dbraw/zinc/32/25/00/967322500.db2.gz AGGDANAXRRHNFG-WMZOPIPTSA-N 1 2 374.485 1.390 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CCO[C@@H](C)C3)C2)cc1 ZINC000853604400 968177209 /nfs/dbraw/zinc/17/72/09/968177209.db2.gz DDESADYRWCOFRD-JKSUJKDBSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CCO[C@@H](C)C3)C2)cc1 ZINC000853604400 968177213 /nfs/dbraw/zinc/17/72/13/968177213.db2.gz DDESADYRWCOFRD-JKSUJKDBSA-N 1 2 362.474 1.294 20 10 FDCDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1NC(=O)C(F)(F)F ZINC000853622555 968202584 /nfs/dbraw/zinc/20/25/84/968202584.db2.gz IDZJOFFIGCORQF-LJWDBELGSA-N 1 2 374.359 1.707 20 10 FDCDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1NC(=O)C(F)(F)F ZINC000853622555 968202594 /nfs/dbraw/zinc/20/25/94/968202594.db2.gz IDZJOFFIGCORQF-LJWDBELGSA-N 1 2 374.359 1.707 20 10 FDCDLO O=C(NCCCSc1nccs1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853856465 968374561 /nfs/dbraw/zinc/37/45/61/968374561.db2.gz ZHHNFZUMYCCPSI-ZDUSSCGKSA-N 1 2 356.517 1.741 20 10 FDCDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193247035 969574002 /nfs/dbraw/zinc/57/40/02/969574002.db2.gz ISCWVQSBOGDPIN-NSHDSACASA-N 1 2 367.789 1.389 20 10 FDCDLO CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc(Cl)c1O ZINC000866555123 975784533 /nfs/dbraw/zinc/78/45/33/975784533.db2.gz WAFPCAXDQIHVKZ-YOEHRIQHSA-N 1 2 354.834 1.714 20 10 FDCDLO COc1ccc(N2CCN(C(=O)CN3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000852061743 979315544 /nfs/dbraw/zinc/31/55/44/979315544.db2.gz PWYFHKSJBJRHIM-UHFFFAOYSA-N 1 2 355.442 1.056 20 10 FDCDLO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4[nH]nnc4c3)cc2)CC1 ZINC000881849160 980209717 /nfs/dbraw/zinc/20/97/17/980209717.db2.gz JUBVLAJXBKWCSN-UHFFFAOYSA-N 1 2 350.426 1.640 20 10 FDCDLO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000297585580 989572270 /nfs/dbraw/zinc/57/22/70/989572270.db2.gz TWAXWSMGCIKVGN-HXUWFJFHSA-N 1 2 361.486 1.639 20 10 FDCDLO COC1CCN(c2ccc(C[N@H+]3CCO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000297585580 989572279 /nfs/dbraw/zinc/57/22/79/989572279.db2.gz TWAXWSMGCIKVGN-HXUWFJFHSA-N 1 2 361.486 1.639 20 10 FDCDLO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874098117 989743391 /nfs/dbraw/zinc/74/33/91/989743391.db2.gz PTVGILANPHQFMJ-HZPDHXFCSA-N 1 2 374.466 1.064 20 10 FDCDLO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874098117 989743401 /nfs/dbraw/zinc/74/34/01/989743401.db2.gz PTVGILANPHQFMJ-HZPDHXFCSA-N 1 2 374.466 1.064 20 10 FDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165686 993079682 /nfs/dbraw/zinc/07/96/82/993079682.db2.gz PSZFKENSDMFHDS-RTBURBONSA-N 1 2 362.470 1.800 20 10 FDCDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877165686 993079689 /nfs/dbraw/zinc/07/96/89/993079689.db2.gz PSZFKENSDMFHDS-RTBURBONSA-N 1 2 362.470 1.800 20 10 FDCDLO COc1ccc(N2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)c(OC)c1 ZINC000877708606 993459982 /nfs/dbraw/zinc/45/99/82/993459982.db2.gz QGVNFNGWZSKIOD-UHFFFAOYSA-N 1 2 357.458 1.882 20 10 FDCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826510820 996807914 /nfs/dbraw/zinc/80/79/14/996807914.db2.gz MHCIHCRWPCWVST-UHFFFAOYSA-N 1 2 355.377 1.429 20 10 FDCDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000283014286 997654430 /nfs/dbraw/zinc/65/44/30/997654430.db2.gz LOXUKKMZOJWGAC-KRWDZBQOSA-N 1 2 355.442 1.156 20 10 FDCDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000283014286 997654435 /nfs/dbraw/zinc/65/44/35/997654435.db2.gz LOXUKKMZOJWGAC-KRWDZBQOSA-N 1 2 355.442 1.156 20 10 FDCDLO O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1CCN1CCOCC1 ZINC000777483489 999109915 /nfs/dbraw/zinc/10/99/15/999109915.db2.gz RUNJPFHRJSRBHG-AWEZNQCLSA-N 1 2 371.840 1.207 20 10 FDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283778837 999761447 /nfs/dbraw/zinc/76/14/47/999761447.db2.gz DXSIOYDUHIYSMR-MRXNPFEDSA-N 1 2 371.485 1.891 20 10 FDCDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000284154814 999778223 /nfs/dbraw/zinc/77/82/23/999778223.db2.gz QNSHQLAGGORRAA-HFEMZURISA-N 1 2 371.481 1.468 20 10 FDCDLO C[N@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000284154814 999778226 /nfs/dbraw/zinc/77/82/26/999778226.db2.gz QNSHQLAGGORRAA-HFEMZURISA-N 1 2 371.481 1.468 20 10 FDCDLO COc1cc(Cl)cc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1O ZINC000359963501 533953984 /nfs/dbraw/zinc/95/39/84/533953984.db2.gz ZNGHASKQJKYNPH-HNNXBMFYSA-N 1 2 367.877 1.841 20 10 FDCDLO COc1cc(Cl)cc(C[NH+]2CCN([C@H]3CCCCNC3=O)CC2)c1O ZINC000359963501 533953992 /nfs/dbraw/zinc/95/39/92/533953992.db2.gz ZNGHASKQJKYNPH-HNNXBMFYSA-N 1 2 367.877 1.841 20 10 FDCDLO COCCNC(=O)CN1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179616280 525606589 /nfs/dbraw/zinc/60/65/89/525606589.db2.gz BQRWURYFEFRPOR-UHFFFAOYSA-N 1 2 355.866 1.234 20 10 FDCDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1O ZINC000180512411 525714036 /nfs/dbraw/zinc/71/40/36/525714036.db2.gz QYBUNDOTFGHAFF-UHFFFAOYSA-N 1 2 351.428 1.336 20 10 FDCDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)CC1 ZINC000106503885 525733254 /nfs/dbraw/zinc/73/32/54/525733254.db2.gz XCKVJAFXDCIPDQ-IBGZPJMESA-N 1 2 359.518 1.674 20 10 FDCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1CCN1CCOCC1 ZINC000181346870 525842901 /nfs/dbraw/zinc/84/29/01/525842901.db2.gz UUROPHUYWKSVBQ-AWEZNQCLSA-N 1 2 353.850 1.068 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3nc(C)oc3C)CC2)cc1 ZINC000293014827 537290426 /nfs/dbraw/zinc/29/04/26/537290426.db2.gz MFZMMGIUTOYXQL-UHFFFAOYSA-N 1 2 358.442 1.852 20 10 FDCDLO CCNC(=O)CN1CC[NH+](Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000129175833 671784342 /nfs/dbraw/zinc/78/43/42/671784342.db2.gz IINGYCQHTUNXCW-UHFFFAOYSA-N 1 2 350.482 1.926 20 10 FDCDLO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000157564146 671970105 /nfs/dbraw/zinc/97/01/05/671970105.db2.gz ZBOLBTJOFQMSIO-NSHDSACASA-N 1 2 364.261 1.782 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000157564146 671970113 /nfs/dbraw/zinc/97/01/13/671970113.db2.gz ZBOLBTJOFQMSIO-NSHDSACASA-N 1 2 364.261 1.782 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CC[C@@H]3CO)cc2F)C[C@H](C)O1 ZINC000934025981 780625563 /nfs/dbraw/zinc/62/55/63/780625563.db2.gz IMYXLKUCWQCGND-IJEWVQPXSA-N 1 2 365.449 1.122 20 10 FDCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@@H]3CO)cc2F)C[C@H](C)O1 ZINC000934025981 780625568 /nfs/dbraw/zinc/62/55/68/780625568.db2.gz IMYXLKUCWQCGND-IJEWVQPXSA-N 1 2 365.449 1.122 20 10 FDCDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000066153877 785884423 /nfs/dbraw/zinc/88/44/23/785884423.db2.gz FBLOMIMYKMJBRU-UHFFFAOYSA-N 1 2 352.438 1.838 20 10 FDCDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCOCC1 ZINC000893955458 809833083 /nfs/dbraw/zinc/83/30/83/809833083.db2.gz CCZLABRUZVBPPO-HNNXBMFYSA-N 1 2 353.415 1.857 20 10 FDCDLO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000729624132 834890612 /nfs/dbraw/zinc/89/06/12/834890612.db2.gz SOZZPFNSYYKXRQ-RDBSUJKOSA-N 1 2 351.447 1.870 20 10 FDCDLO Cn1cc([C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[NH2+]2)cn1 ZINC000913457030 862090561 /nfs/dbraw/zinc/09/05/61/862090561.db2.gz VUAMAGVQPSWMNX-LBPRGKRZSA-N 1 2 358.423 1.833 20 10 FDCDLO CN(C)c1ccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)cc1F ZINC000906454359 852903878 /nfs/dbraw/zinc/90/38/78/852903878.db2.gz OMJSFUOYWIQXDI-UHFFFAOYSA-N 1 2 374.460 1.955 20 10 FDCDLO CN1CC[N@H+](C)[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761283173 864842515 /nfs/dbraw/zinc/84/25/15/864842515.db2.gz RFPAGBPLVALMDN-CQSZACIVSA-N 1 2 366.849 1.056 20 10 FDCDLO CN1CC[N@@H+](C)[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761283173 864842523 /nfs/dbraw/zinc/84/25/23/864842523.db2.gz RFPAGBPLVALMDN-CQSZACIVSA-N 1 2 366.849 1.056 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000742920711 926214907 /nfs/dbraw/zinc/21/49/07/926214907.db2.gz RANHZTALZIMYCS-UHFFFAOYSA-N 1 2 373.413 1.484 20 10 FDCDLO CCOc1nc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000772512641 931323203 /nfs/dbraw/zinc/32/32/03/931323203.db2.gz UKCQTNKLQCBUOU-UHFFFAOYSA-N 1 2 374.441 1.634 20 10 FDCDLO COCCCS(=O)(=O)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815062811 941770426 /nfs/dbraw/zinc/77/04/26/941770426.db2.gz AQQSAPWFUBQJKG-UHFFFAOYSA-N 1 2 369.531 1.545 20 10 FDCDLO O=S1(=O)CC[C@H](N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC000816482468 942215855 /nfs/dbraw/zinc/21/58/55/942215855.db2.gz HHVDSKXDTAZMON-KRWDZBQOSA-N 1 2 360.479 1.850 20 10 FDCDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824856183 946811827 /nfs/dbraw/zinc/81/18/27/946811827.db2.gz UBJZJWQLPPPGNP-HXUWFJFHSA-N 1 2 361.305 1.651 20 10 FDCDLO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715824880 958480293 /nfs/dbraw/zinc/48/02/93/958480293.db2.gz AWFPYTCAJATPOQ-JTQLQIEISA-N 1 2 352.225 1.961 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3ccc[nH]3)cc12 ZINC001184362795 963543681 /nfs/dbraw/zinc/54/36/81/963543681.db2.gz VNFAFKCHNQPWOD-UHFFFAOYSA-N 1 2 355.394 1.883 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3ccc[nH]3)cc12 ZINC001184362795 963543685 /nfs/dbraw/zinc/54/36/85/963543685.db2.gz VNFAFKCHNQPWOD-UHFFFAOYSA-N 1 2 355.394 1.883 20 10 FDCDLO O=C1OC[C@@]2(C[NH2+]Cc3cccc(Br)c3O)COCCN12 ZINC000865769450 974474365 /nfs/dbraw/zinc/47/43/65/974474365.db2.gz WWCHAHYGJSMUCU-CQSZACIVSA-N 1 2 357.204 1.466 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNCc3nnn(C(C)(C)C)n3)CC2)cc1 ZINC000850090445 978148068 /nfs/dbraw/zinc/14/80/68/978148068.db2.gz PFTNSEOFLMEZLN-UHFFFAOYSA-N 1 2 373.505 1.349 20 10 FDCDLO COc1ccc(N2CCN(CC[NH2+]Cc3nnn(C(C)(C)C)n3)CC2)cc1 ZINC000850090445 978148074 /nfs/dbraw/zinc/14/80/74/978148074.db2.gz PFTNSEOFLMEZLN-UHFFFAOYSA-N 1 2 373.505 1.349 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000851961612 979225831 /nfs/dbraw/zinc/22/58/31/979225831.db2.gz YODRQNWXSZRUOU-HZPDHXFCSA-N 1 2 362.474 1.294 20 10 FDCDLO OCc1cn(CCC[NH2+]Cc2cc(Br)cc(F)c2O)nn1 ZINC000883121210 981963880 /nfs/dbraw/zinc/96/38/80/981963880.db2.gz BBELNVGPBPYLIR-UHFFFAOYSA-N 1 2 359.199 1.558 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1ccc(F)c(F)c1O)NC[C@H]1CCCCO1 ZINC000877046687 993029177 /nfs/dbraw/zinc/02/91/77/993029177.db2.gz ORAFBYLQLUYOBI-GFCCVEGCSA-N 1 2 364.414 1.249 20 10 FDCDLO C[S@](=N)(=O)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877788828 993514489 /nfs/dbraw/zinc/51/44/89/993514489.db2.gz IUZDBHVMOZBSSG-XMMPIXPASA-N 1 2 352.504 1.357 20 10 FDCDLO O=C(NCCCSc1nccs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932687019 1005096570 /nfs/dbraw/zinc/09/65/70/1005096570.db2.gz OVFMQLJWELARDO-KGLIPLIRSA-N 1 2 371.528 1.621 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000778243138 1005743692 /nfs/dbraw/zinc/74/36/92/1005743692.db2.gz SUIXCDXPPYOONA-LJQANCHMSA-N 1 2 361.486 1.701 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000778243138 1005743696 /nfs/dbraw/zinc/74/36/96/1005743696.db2.gz SUIXCDXPPYOONA-LJQANCHMSA-N 1 2 361.486 1.701 20 10 FDCDLO O=C(CN1CCOCC1)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179658835 525612497 /nfs/dbraw/zinc/61/24/97/525612497.db2.gz XCUBBDNXPYRFMB-UHFFFAOYSA-N 1 2 353.850 1.022 20 10 FDCDLO CCn1ccnc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000291561163 537630621 /nfs/dbraw/zinc/63/06/21/537630621.db2.gz RKDKJPZVMGWXFA-UHFFFAOYSA-N 1 2 357.458 1.464 20 10 FDCDLO COc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)CCOC(C)C)CC2)c1 ZINC000271827128 674385998 /nfs/dbraw/zinc/38/59/98/674385998.db2.gz OFHWLUQXOQELMF-UHFFFAOYSA-N 1 2 372.487 1.273 20 10 FDCDLO NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737218 599098805 /nfs/dbraw/zinc/09/88/05/599098805.db2.gz PIAOKLCHXIOCKJ-MRXNPFEDSA-N 1 2 350.382 1.118 20 10 FDCDLO C[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825946364 607829770 /nfs/dbraw/zinc/82/97/70/607829770.db2.gz UXYDISDCFSXVHS-UHFFFAOYSA-N 1 2 373.438 1.478 20 10 FDCDLO C[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825946364 607829771 /nfs/dbraw/zinc/82/97/71/607829771.db2.gz UXYDISDCFSXVHS-UHFFFAOYSA-N 1 2 373.438 1.478 20 10 FDCDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278234202 675108972 /nfs/dbraw/zinc/10/89/72/675108972.db2.gz NCRCPODWBPZYNK-LLVKDONJSA-N 1 2 356.400 1.790 20 10 FDCDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278234202 675108975 /nfs/dbraw/zinc/10/89/75/675108975.db2.gz NCRCPODWBPZYNK-LLVKDONJSA-N 1 2 356.400 1.790 20 10 FDCDLO C[C@H](CNC(=O)NCc1cccc(Cl)c1O)CN1CC[NH+](C)CC1 ZINC000893238582 794133170 /nfs/dbraw/zinc/13/31/70/794133170.db2.gz UQNZJTWJBGNPDQ-CYBMUJFWSA-N 1 2 354.882 1.728 20 10 FDCDLO COc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)c(O)c1OC ZINC000893247241 794248417 /nfs/dbraw/zinc/24/84/17/794248417.db2.gz YWOLQDNGDWETHH-UHFFFAOYSA-N 1 2 362.430 1.550 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CCC(=O)[C@@H]3C)CC2)cc1 ZINC000279749058 809060503 /nfs/dbraw/zinc/06/05/03/809060503.db2.gz YLGUOBCQANJIFD-SJORKVTESA-N 1 2 373.497 1.939 20 10 FDCDLO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000895456035 822607758 /nfs/dbraw/zinc/60/77/58/822607758.db2.gz ALAPDOVLVNMXFT-AMIZOPFISA-N 1 2 362.195 1.962 20 10 FDCDLO O=c1ccn(CCC[NH2+]Cc2cccc(Br)c2O)c(=O)[nH]1 ZINC000898332517 840973051 /nfs/dbraw/zinc/97/30/51/840973051.db2.gz JFVDCHXWLJQRTI-UHFFFAOYSA-N 1 2 354.204 1.597 20 10 FDCDLO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000842234967 845835596 /nfs/dbraw/zinc/83/55/96/845835596.db2.gz DAQLIHKBLHWSOJ-PBHICJAKSA-N 1 2 355.442 1.234 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000761511238 871390564 /nfs/dbraw/zinc/39/05/64/871390564.db2.gz NKTRXUWTJSDXMF-NSHDSACASA-N 1 2 363.277 1.716 20 10 FDCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000761511238 871390591 /nfs/dbraw/zinc/39/05/91/871390591.db2.gz NKTRXUWTJSDXMF-NSHDSACASA-N 1 2 363.277 1.716 20 10 FDCDLO Nc1ccc(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237899995 889084670 /nfs/dbraw/zinc/08/46/70/889084670.db2.gz XNIYGPVKASFZAA-UHFFFAOYSA-N 1 2 367.453 1.061 20 10 FDCDLO CCc1ncncc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742921178 926215258 /nfs/dbraw/zinc/21/52/58/926215258.db2.gz ZRUPZEJSLHYRRU-UHFFFAOYSA-N 1 2 369.469 1.600 20 10 FDCDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769983950 929784245 /nfs/dbraw/zinc/78/42/45/929784245.db2.gz BSTXANALHUIIMU-ZDUSSCGKSA-N 1 2 360.437 1.910 20 10 FDCDLO CCOc1ccc(C[NH+]2CCN(S(=O)(=O)CCCOC)CC2)c(O)c1 ZINC000770346198 929988654 /nfs/dbraw/zinc/98/86/54/929988654.db2.gz DKXVLLTYQUFGEI-UHFFFAOYSA-N 1 2 372.487 1.275 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000789753200 933181443 /nfs/dbraw/zinc/18/14/43/933181443.db2.gz KGTNEELFDGPNNC-LLVKDONJSA-N 1 2 353.473 1.143 20 10 FDCDLO CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc(Cl)c1O ZINC000806145150 938900191 /nfs/dbraw/zinc/90/01/91/938900191.db2.gz DQEQDUGUPMWWNB-AWEZNQCLSA-N 1 2 362.879 1.748 20 10 FDCDLO C[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000807676955 940453870 /nfs/dbraw/zinc/45/38/70/940453870.db2.gz KDZJMCFTFMJBQI-HNNXBMFYSA-N 1 2 357.458 1.675 20 10 FDCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(F)cn1 ZINC000828012758 942456999 /nfs/dbraw/zinc/45/69/99/942456999.db2.gz XABUFVLVWUQVRF-UHFFFAOYSA-N 1 2 373.432 1.944 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000856216703 970990424 /nfs/dbraw/zinc/99/04/24/970990424.db2.gz ZVIPVWOSWLKZAD-MRXNPFEDSA-N 1 2 354.454 1.723 20 10 FDCDLO COCCNC(=O)CN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824535949 946511257 /nfs/dbraw/zinc/51/12/57/946511257.db2.gz ZUYZYVBCVAXPHY-UHFFFAOYSA-N 1 2 355.866 1.234 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)N3CCn4c[nH+]cc4C3)C2)cc1 ZINC000824685268 946683237 /nfs/dbraw/zinc/68/32/37/946683237.db2.gz CFWNMISQDKCJCW-OAHLLOKOSA-N 1 2 355.442 1.943 20 10 FDCDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825456966 947255665 /nfs/dbraw/zinc/25/56/65/947255665.db2.gz ZWAHIFHPBKOSPY-LBPRGKRZSA-N 1 2 363.277 1.668 20 10 FDCDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825456966 947255678 /nfs/dbraw/zinc/25/56/78/947255678.db2.gz ZWAHIFHPBKOSPY-LBPRGKRZSA-N 1 2 363.277 1.668 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001183672329 963214943 /nfs/dbraw/zinc/21/49/43/963214943.db2.gz LAKVNVKQOLGSBU-RYUDHWBXSA-N 1 2 356.400 1.176 20 10 FDCDLO COc1c(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001183672329 963214948 /nfs/dbraw/zinc/21/49/48/963214948.db2.gz LAKVNVKQOLGSBU-RYUDHWBXSA-N 1 2 356.400 1.176 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176355915 963431062 /nfs/dbraw/zinc/43/10/62/963431062.db2.gz UCLGUEZQBKRKKU-GOSISDBHSA-N 1 2 357.458 1.572 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176355915 963431063 /nfs/dbraw/zinc/43/10/63/963431063.db2.gz UCLGUEZQBKRKKU-GOSISDBHSA-N 1 2 357.458 1.572 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@H]3C[C@H](O)C3(C)C)cc12 ZINC001184359820 963541025 /nfs/dbraw/zinc/54/10/25/963541025.db2.gz LURKEFKTLTZXMN-IRXDYDNUSA-N 1 2 374.437 1.514 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@H]3C[C@H](O)C3(C)C)cc12 ZINC001184359820 963541030 /nfs/dbraw/zinc/54/10/30/963541030.db2.gz LURKEFKTLTZXMN-IRXDYDNUSA-N 1 2 374.437 1.514 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)N[C@@H]3CCO[C@H](C)C3)cc12 ZINC001184359303 963542182 /nfs/dbraw/zinc/54/21/82/963542182.db2.gz DANNWWSYOTVZPK-UKRRQHHQSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)N[C@@H]3CCO[C@H](C)C3)cc12 ZINC001184359303 963542186 /nfs/dbraw/zinc/54/21/86/963542186.db2.gz DANNWWSYOTVZPK-UKRRQHHQSA-N 1 2 374.437 1.923 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3cc[nH]c3)cc12 ZINC001184360336 963542307 /nfs/dbraw/zinc/54/23/07/963542307.db2.gz NIOHSPNMWCRKDX-UHFFFAOYSA-N 1 2 355.394 1.883 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3cc[nH]c3)cc12 ZINC001184360336 963542310 /nfs/dbraw/zinc/54/23/10/963542310.db2.gz NIOHSPNMWCRKDX-UHFFFAOYSA-N 1 2 355.394 1.883 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCc3ccncn3)cc12 ZINC001184362187 963543344 /nfs/dbraw/zinc/54/33/44/963543344.db2.gz NYLMBMANQLGYCP-UHFFFAOYSA-N 1 2 368.393 1.345 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCc3ccncn3)cc12 ZINC001184362187 963543350 /nfs/dbraw/zinc/54/33/50/963543350.db2.gz NYLMBMANQLGYCP-UHFFFAOYSA-N 1 2 368.393 1.345 20 10 FDCDLO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](O)c2c[nH+]c[nH]2)cc1 ZINC000865058991 974046524 /nfs/dbraw/zinc/04/65/24/974046524.db2.gz BKQPKQJPAVHXDC-SJLPKXTDSA-N 1 2 358.442 1.717 20 10 FDCDLO CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc(Cl)c1O ZINC000866555118 975784286 /nfs/dbraw/zinc/78/42/86/975784286.db2.gz WAFPCAXDQIHVKZ-RHSMWYFYSA-N 1 2 354.834 1.714 20 10 FDCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cc(Br)ccc1O ZINC000868306876 977482840 /nfs/dbraw/zinc/48/28/40/977482840.db2.gz FWMGYSZBMWCQRN-OWOJBTEDSA-N 1 2 355.232 1.659 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000265945762 978934259 /nfs/dbraw/zinc/93/42/59/978934259.db2.gz KUCWAFXZWNXECG-UHFFFAOYSA-N 1 2 368.481 1.897 20 10 FDCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1ccc(N2CCSCC2)cc1 ZINC000881795595 980151602 /nfs/dbraw/zinc/15/16/02/980151602.db2.gz IZIZNKXNVWACQL-UHFFFAOYSA-N 1 2 366.512 1.556 20 10 FDCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000862482286 984399639 /nfs/dbraw/zinc/39/96/39/984399639.db2.gz RICIZOMBOLDKIC-LBPRGKRZSA-N 1 2 362.796 1.991 20 10 FDCDLO CN(Cc1ccccc1O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000363586102 989325511 /nfs/dbraw/zinc/32/55/11/989325511.db2.gz LBSQUBZFJARSIP-UHFFFAOYSA-N 1 2 359.430 1.585 20 10 FDCDLO CN1CCCc2cc(CNC(=O)C(=O)Nc3ccn4cc[nH+]c4c3)ccc21 ZINC000298035748 989852871 /nfs/dbraw/zinc/85/28/71/989852871.db2.gz GAQVSZBPABZQBN-UHFFFAOYSA-N 1 2 363.421 1.972 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000373565671 992293770 /nfs/dbraw/zinc/29/37/70/992293770.db2.gz DPCGVTJSRNQAJE-HNNXBMFYSA-N 1 2 372.444 1.862 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)NC(C)C)CC2)c(OC)c1 ZINC000879463286 994928799 /nfs/dbraw/zinc/92/87/99/994928799.db2.gz UFLXVBNDHLGBDS-UHFFFAOYSA-N 1 2 350.463 1.533 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777466117 999100210 /nfs/dbraw/zinc/10/02/10/999100210.db2.gz QWCPAMBMOASYSK-MRXNPFEDSA-N 1 2 355.442 1.534 20 10 FDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283778833 999761416 /nfs/dbraw/zinc/76/14/16/999761416.db2.gz DXSIOYDUHIYSMR-INIZCTEOSA-N 1 2 371.485 1.891 20 10 FDCDLO CC(=O)N1CCN(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000078680556 1009596778 /nfs/dbraw/zinc/59/67/78/1009596778.db2.gz YWORLFZYQWBFJD-UHFFFAOYSA-N 1 2 371.437 1.678 20 10 FDCDLO CC(=O)N1CCN(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000078680556 1009596783 /nfs/dbraw/zinc/59/67/83/1009596783.db2.gz YWORLFZYQWBFJD-UHFFFAOYSA-N 1 2 371.437 1.678 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC000090008296 524570260 /nfs/dbraw/zinc/57/02/60/524570260.db2.gz OXEFBQYZTDOTQP-LJQANCHMSA-N 1 2 359.470 1.455 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC000090008296 524570268 /nfs/dbraw/zinc/57/02/68/524570268.db2.gz OXEFBQYZTDOTQP-LJQANCHMSA-N 1 2 359.470 1.455 20 10 FDCDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000279531813 537348523 /nfs/dbraw/zinc/34/85/23/537348523.db2.gz QGQZLQOTNXZBOO-AWEZNQCLSA-N 1 2 352.454 1.754 20 10 FDCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283520444 537380231 /nfs/dbraw/zinc/38/02/31/537380231.db2.gz IWOHXMUQJKQEIK-UHFFFAOYSA-N 1 2 358.442 1.924 20 10 FDCDLO COc1c(O)c(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000278258985 675113256 /nfs/dbraw/zinc/11/32/56/675113256.db2.gz QCYDGFQKJNNCCK-LLVKDONJSA-N 1 2 366.443 1.918 20 10 FDCDLO COc1c(O)c(CN2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278321399 675121711 /nfs/dbraw/zinc/12/17/11/675121711.db2.gz YCRKTTIGKGUFGE-UHFFFAOYSA-N 1 2 353.419 1.852 20 10 FDCDLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179552658 672161867 /nfs/dbraw/zinc/16/18/67/672161867.db2.gz IFEZGLPDSSPWRT-UHFFFAOYSA-N 1 2 362.451 1.907 20 10 FDCDLO COCc1nsc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000267409354 673300675 /nfs/dbraw/zinc/30/06/75/673300675.db2.gz RJOKEDSFGBHZMM-UHFFFAOYSA-N 1 2 363.487 1.927 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000294029599 676373764 /nfs/dbraw/zinc/37/37/64/676373764.db2.gz VMYFBCZTHOYCBU-LLVKDONJSA-N 1 2 358.416 1.566 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000294029599 676373768 /nfs/dbraw/zinc/37/37/68/676373768.db2.gz VMYFBCZTHOYCBU-LLVKDONJSA-N 1 2 358.416 1.566 20 10 FDCDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1c(F)ccc(O)c1O ZINC000276686365 778906510 /nfs/dbraw/zinc/90/65/10/778906510.db2.gz PKPRVNHFZAZHED-UHFFFAOYSA-N 1 2 360.385 1.999 20 10 FDCDLO CNC(=O)Cc1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000177549039 785758356 /nfs/dbraw/zinc/75/83/56/785758356.db2.gz HVBLFZAGWNONOC-UHFFFAOYSA-N 1 2 374.510 1.900 20 10 FDCDLO CNC(=O)Cc1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000177549039 785758365 /nfs/dbraw/zinc/75/83/65/785758365.db2.gz HVBLFZAGWNONOC-UHFFFAOYSA-N 1 2 374.510 1.900 20 10 FDCDLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759872708 795964630 /nfs/dbraw/zinc/96/46/30/795964630.db2.gz NQSRCWRIADWWCZ-AWEZNQCLSA-N 1 2 365.474 1.749 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000038419615 803947631 /nfs/dbraw/zinc/94/76/31/803947631.db2.gz KGQYSSAGNAOSOI-UHFFFAOYSA-N 1 2 368.481 1.897 20 10 FDCDLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280620803 811873314 /nfs/dbraw/zinc/87/33/14/811873314.db2.gz WOFPUQSDLGNJJN-JXFKEZNVSA-N 1 2 361.486 1.591 20 10 FDCDLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280620803 811873323 /nfs/dbraw/zinc/87/33/23/811873323.db2.gz WOFPUQSDLGNJJN-JXFKEZNVSA-N 1 2 361.486 1.591 20 10 FDCDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841010093 828352115 /nfs/dbraw/zinc/35/21/15/828352115.db2.gz YYNWMKUDZVKWCJ-UHFFFAOYSA-N 1 2 352.438 1.860 20 10 FDCDLO CN(C)c1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[nH+]cn1 ZINC000895218215 821949214 /nfs/dbraw/zinc/94/92/14/821949214.db2.gz HGMNAXJLENKAPJ-UHFFFAOYSA-N 1 2 354.458 1.856 20 10 FDCDLO CN(C)c1cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nc[nH+]1 ZINC000895218215 821949222 /nfs/dbraw/zinc/94/92/22/821949222.db2.gz HGMNAXJLENKAPJ-UHFFFAOYSA-N 1 2 354.458 1.856 20 10 FDCDLO [O-]c1c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc(F)c1F ZINC000895684517 822702673 /nfs/dbraw/zinc/70/26/73/822702673.db2.gz DKWOOPVPCNNYNK-OAHLLOKOSA-N 1 2 355.429 1.557 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000785421115 859893784 /nfs/dbraw/zinc/89/37/84/859893784.db2.gz BJDRIKWVNOPBNI-UHFFFAOYSA-N 1 2 366.465 1.501 20 10 FDCDLO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000922825713 879386576 /nfs/dbraw/zinc/38/65/76/879386576.db2.gz PLZWLDDLMOPYGY-VIFPVBQESA-N 1 2 372.668 1.303 20 10 FDCDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084109004 913454003 /nfs/dbraw/zinc/45/40/03/913454003.db2.gz PMVTUEJKVIPSTR-YUTCNCBUSA-N 1 2 351.382 1.372 20 10 FDCDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084109004 913454005 /nfs/dbraw/zinc/45/40/05/913454005.db2.gz PMVTUEJKVIPSTR-YUTCNCBUSA-N 1 2 351.382 1.372 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)OC(C)(C)C)CC2)cc1 ZINC000764868527 905866809 /nfs/dbraw/zinc/86/68/09/905866809.db2.gz HUCYCNVOFAPIRW-UHFFFAOYSA-N 1 2 363.458 1.275 20 10 FDCDLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000785438980 908181428 /nfs/dbraw/zinc/18/14/28/908181428.db2.gz JGMZSVMQCWFABK-UHFFFAOYSA-N 1 2 370.453 1.706 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)CC2)cc1 ZINC000791559531 934061806 /nfs/dbraw/zinc/06/18/06/934061806.db2.gz SZCYHDNAOSOGLY-JXFKEZNVSA-N 1 2 373.497 1.843 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)CC2)cc1 ZINC000791559531 934061814 /nfs/dbraw/zinc/06/18/14/934061814.db2.gz SZCYHDNAOSOGLY-JXFKEZNVSA-N 1 2 373.497 1.843 20 10 FDCDLO C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000793731346 934255939 /nfs/dbraw/zinc/25/59/39/934255939.db2.gz ZNOZYELJTZTTKF-OAHLLOKOSA-N 1 2 357.458 1.723 20 10 FDCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH+](CC)CC2)cc1F ZINC000804850644 938600023 /nfs/dbraw/zinc/60/00/23/938600023.db2.gz NYKVUJATOFVUOH-UHFFFAOYSA-N 1 2 364.465 1.452 20 10 FDCDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000814177186 941568706 /nfs/dbraw/zinc/56/87/06/941568706.db2.gz XYXDXEBTGGNMFA-HNNXBMFYSA-N 1 2 356.463 1.529 20 10 FDCDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000814177186 941568709 /nfs/dbraw/zinc/56/87/09/941568709.db2.gz XYXDXEBTGGNMFA-HNNXBMFYSA-N 1 2 356.463 1.529 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000817120336 942559558 /nfs/dbraw/zinc/55/95/58/942559558.db2.gz HCQYGUKCPGEMSM-INIZCTEOSA-N 1 2 371.485 1.511 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000822320521 944937574 /nfs/dbraw/zinc/93/75/74/944937574.db2.gz LTSPGXYPHSBMEO-QZTJIDSGSA-N 1 2 367.453 1.498 20 10 FDCDLO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000822320521 944937575 /nfs/dbraw/zinc/93/75/75/944937575.db2.gz LTSPGXYPHSBMEO-QZTJIDSGSA-N 1 2 367.453 1.498 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1 ZINC000844725885 948334259 /nfs/dbraw/zinc/33/42/59/948334259.db2.gz QMDHENCFRKUOFY-IBGZPJMESA-N 1 2 362.474 1.987 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)N[C@@](C)(C(C)C)C2=O)cc1 ZINC000844725885 948334266 /nfs/dbraw/zinc/33/42/66/948334266.db2.gz QMDHENCFRKUOFY-IBGZPJMESA-N 1 2 362.474 1.987 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000844726800 948335293 /nfs/dbraw/zinc/33/52/93/948335293.db2.gz WPKVOACBKGXQEM-IBGZPJMESA-N 1 2 360.458 1.741 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000844726800 948335298 /nfs/dbraw/zinc/33/52/98/948335298.db2.gz WPKVOACBKGXQEM-IBGZPJMESA-N 1 2 360.458 1.741 20 10 FDCDLO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000844882293 948464997 /nfs/dbraw/zinc/46/49/97/948464997.db2.gz VYCFPPJSUVRZAV-MRXNPFEDSA-N 1 2 364.490 1.494 20 10 FDCDLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000774470848 962222092 /nfs/dbraw/zinc/22/20/92/962222092.db2.gz QBCMCAXOMJVOON-UHFFFAOYSA-N 1 2 353.426 1.082 20 10 FDCDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccc(N(C)C)cc1 ZINC001180130483 965106329 /nfs/dbraw/zinc/10/63/29/965106329.db2.gz QKJDWZPAWGXOQE-JEJOPICUSA-N 1 2 356.426 1.780 20 10 FDCDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccc(N(C)C)cc1 ZINC001180130483 965106336 /nfs/dbraw/zinc/10/63/36/965106336.db2.gz QKJDWZPAWGXOQE-JEJOPICUSA-N 1 2 356.426 1.780 20 10 FDCDLO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193246792 969574080 /nfs/dbraw/zinc/57/40/80/969574080.db2.gz BTKBYSRZLBMWRW-XYPYZODXSA-N 1 2 369.849 1.470 20 10 FDCDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000847365921 975536430 /nfs/dbraw/zinc/53/64/30/975536430.db2.gz GLBSBPBMKBGQEE-HOCLYGCPSA-N 1 2 369.469 1.606 20 10 FDCDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000847365921 975536437 /nfs/dbraw/zinc/53/64/37/975536437.db2.gz GLBSBPBMKBGQEE-HOCLYGCPSA-N 1 2 369.469 1.606 20 10 FDCDLO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882945310 981818242 /nfs/dbraw/zinc/81/82/42/981818242.db2.gz PQAGWVXLJSGUGF-UHFFFAOYSA-N 1 2 369.256 1.713 20 10 FDCDLO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883133374 981970771 /nfs/dbraw/zinc/97/07/71/981970771.db2.gz XGKYQEPYJPMONH-JTQLQIEISA-N 1 2 369.256 1.711 20 10 FDCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000860168104 983271430 /nfs/dbraw/zinc/27/14/30/983271430.db2.gz QAUFHONCXVSRJC-CZUORRHYSA-N 1 2 357.385 1.916 20 10 FDCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000860168104 983271433 /nfs/dbraw/zinc/27/14/33/983271433.db2.gz QAUFHONCXVSRJC-CZUORRHYSA-N 1 2 357.385 1.916 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)ccc21 ZINC000366175951 988508955 /nfs/dbraw/zinc/50/89/55/988508955.db2.gz BJWYYFPPLBMQCN-SFHVURJKSA-N 1 2 358.486 1.731 20 10 FDCDLO CN1CCCc2cc(CNC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)ccc21 ZINC000366175951 988508962 /nfs/dbraw/zinc/50/89/62/988508962.db2.gz BJWYYFPPLBMQCN-SFHVURJKSA-N 1 2 358.486 1.731 20 10 FDCDLO COC1CCN(c2ccc(C[NH+]3CCN(C(=O)[C@@H](C)O)CC3)cc2)CC1 ZINC000296437848 989207718 /nfs/dbraw/zinc/20/77/18/989207718.db2.gz ZAXXMZJUBAFFLS-MRXNPFEDSA-N 1 2 361.486 1.327 20 10 FDCDLO CN(C)c1ccc(CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C2CC2)cc1 ZINC000297899480 989760140 /nfs/dbraw/zinc/76/01/40/989760140.db2.gz OZSGGXSEUGZAAG-UHFFFAOYSA-N 1 2 367.453 1.483 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875749430 991969945 /nfs/dbraw/zinc/96/99/45/991969945.db2.gz LNLAQDOISJOVBO-OAHLLOKOSA-N 1 2 355.442 1.268 20 10 FDCDLO COc1ccc(N2CCC[N@H+](Cc3nnc4c(=O)n(C)ccn34)CC2)cc1 ZINC000877984507 993591073 /nfs/dbraw/zinc/59/10/73/993591073.db2.gz IHCWZZKRWUUHDM-UHFFFAOYSA-N 1 2 368.441 1.149 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc4c(=O)n(C)ccn34)CC2)cc1 ZINC000877984507 993591082 /nfs/dbraw/zinc/59/10/82/993591082.db2.gz IHCWZZKRWUUHDM-UHFFFAOYSA-N 1 2 368.441 1.149 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000283124170 999740663 /nfs/dbraw/zinc/74/06/63/999740663.db2.gz UCLGUEZQBKRKKU-SFHVURJKSA-N 1 2 357.458 1.572 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000283124170 999740664 /nfs/dbraw/zinc/74/06/64/999740664.db2.gz UCLGUEZQBKRKKU-SFHVURJKSA-N 1 2 357.458 1.572 20 10 FDCDLO Cc1cc(Br)cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000779432342 1009247725 /nfs/dbraw/zinc/24/77/25/1009247725.db2.gz CTQCJSQIVUSLTR-LLVKDONJSA-N 1 2 354.204 1.199 20 10 FDCDLO Cc1cc(Br)cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1O ZINC000779432342 1009247732 /nfs/dbraw/zinc/24/77/32/1009247732.db2.gz CTQCJSQIVUSLTR-LLVKDONJSA-N 1 2 354.204 1.199 20 10 FDCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000080015864 1010796339 /nfs/dbraw/zinc/79/63/39/1010796339.db2.gz XKVUCLXKDPXPEO-MRXNPFEDSA-N 1 2 371.485 1.980 20 10 FDCDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000271181989 674319318 /nfs/dbraw/zinc/31/93/18/674319318.db2.gz KAHLPXLRJCTWIX-UHFFFAOYSA-N 1 2 356.264 1.536 20 10 FDCDLO CC(C)(C(N)=O)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000271181989 674319320 /nfs/dbraw/zinc/31/93/20/674319320.db2.gz KAHLPXLRJCTWIX-UHFFFAOYSA-N 1 2 356.264 1.536 20 10 FDCDLO O=S1(=O)CC[C@H](N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022847048 518916634 /nfs/dbraw/zinc/91/66/34/518916634.db2.gz SFAXLFMVCLUFGU-INIZCTEOSA-N 1 2 360.479 1.850 20 10 FDCDLO CCCCN(C(=O)C[N@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000111236484 524233239 /nfs/dbraw/zinc/23/32/39/524233239.db2.gz UZICEYUYEWDGIH-MRXNPFEDSA-N 1 2 368.499 1.640 20 10 FDCDLO CCCCN(C(=O)C[N@@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000111236484 524233248 /nfs/dbraw/zinc/23/32/48/524233248.db2.gz UZICEYUYEWDGIH-MRXNPFEDSA-N 1 2 368.499 1.640 20 10 FDCDLO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1C ZINC000173389705 524378669 /nfs/dbraw/zinc/37/86/69/524378669.db2.gz KGNICVVCXFNPDL-UHFFFAOYSA-N 1 2 365.455 1.645 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)CC2)cc1 ZINC000185109544 536198870 /nfs/dbraw/zinc/19/88/70/536198870.db2.gz AYQSZOIJFYCYRV-MQNRADLISA-N 1 2 367.515 1.043 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)CC2)cc1 ZINC000185109544 536198871 /nfs/dbraw/zinc/19/88/71/536198871.db2.gz AYQSZOIJFYCYRV-MQNRADLISA-N 1 2 367.515 1.043 20 10 FDCDLO COc1ccc(N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)cc1F ZINC000188794132 536950183 /nfs/dbraw/zinc/95/01/83/536950183.db2.gz HXMICHOSHZEWLX-UHFFFAOYSA-N 1 2 359.405 1.166 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)CCCF)CC2)cc1 ZINC000267407095 536976460 /nfs/dbraw/zinc/97/64/60/536976460.db2.gz OIJDPZFFLPPUFO-UHFFFAOYSA-N 1 2 359.467 1.096 20 10 FDCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283280289 537364756 /nfs/dbraw/zinc/36/47/56/537364756.db2.gz NYMNISVVQYQCFG-UHFFFAOYSA-N 1 2 371.485 1.893 20 10 FDCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000376990780 537951939 /nfs/dbraw/zinc/95/19/39/537951939.db2.gz BNMCMSPMXXHPPQ-QAPCUYQASA-N 1 2 358.486 1.684 20 10 FDCDLO COc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)cc(OC)c1OC ZINC000273562367 674548530 /nfs/dbraw/zinc/54/85/30/674548530.db2.gz DLZVQHODVYECQC-UHFFFAOYSA-N 1 2 351.447 1.359 20 10 FDCDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCOCC1 ZINC000119965696 671682079 /nfs/dbraw/zinc/68/20/79/671682079.db2.gz LBTUMZNHXGMTQY-UHFFFAOYSA-N 1 2 353.850 1.022 20 10 FDCDLO COc1c(O)c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000294029603 676373758 /nfs/dbraw/zinc/37/37/58/676373758.db2.gz VMYFBCZTHOYCBU-NSHDSACASA-N 1 2 358.416 1.566 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000294029603 676373759 /nfs/dbraw/zinc/37/37/59/676373759.db2.gz VMYFBCZTHOYCBU-NSHDSACASA-N 1 2 358.416 1.566 20 10 FDCDLO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c(O)c1O ZINC000378554808 794312056 /nfs/dbraw/zinc/31/20/56/794312056.db2.gz BRVFZUOLIYBYLN-UHFFFAOYSA-N 1 2 373.453 1.761 20 10 FDCDLO CN(C)C(=O)CCN1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000760415183 839934720 /nfs/dbraw/zinc/93/47/20/839934720.db2.gz SKMXOKXAKSNYAQ-UHFFFAOYSA-N 1 2 363.502 1.991 20 10 FDCDLO CC(=O)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520623 840455536 /nfs/dbraw/zinc/45/55/36/840455536.db2.gz MNESFVUOBVMEEO-KRWDZBQOSA-N 1 2 356.369 1.120 20 10 FDCDLO CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520623 840455540 /nfs/dbraw/zinc/45/55/40/840455540.db2.gz MNESFVUOBVMEEO-KRWDZBQOSA-N 1 2 356.369 1.120 20 10 FDCDLO COc1ccc(N2CCC[N@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1 ZINC000054570421 841894410 /nfs/dbraw/zinc/89/44/10/841894410.db2.gz JDXKXBBVWUMVPS-HXUWFJFHSA-N 1 2 372.469 1.885 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1 ZINC000054570421 841894427 /nfs/dbraw/zinc/89/44/27/841894427.db2.gz JDXKXBBVWUMVPS-HXUWFJFHSA-N 1 2 372.469 1.885 20 10 FDCDLO COc1ccc(N2CC[C@H](CNC(=O)/C=C(/C)C[NH+]3CCOCC3)C2)cc1 ZINC000911276993 858396764 /nfs/dbraw/zinc/39/67/64/858396764.db2.gz QHKABTXODUKOMC-MTMYEVCSSA-N 1 2 373.497 1.916 20 10 FDCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169853916 928933922 /nfs/dbraw/zinc/93/39/22/928933922.db2.gz MEOOSGDIJAAREJ-RUXDESIVSA-N 1 2 371.455 1.127 20 10 FDCDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805101757 938661539 /nfs/dbraw/zinc/66/15/39/938661539.db2.gz DPTXKKSTZHDFEE-GFCCVEGCSA-N 1 2 361.273 1.744 20 10 FDCDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805101757 938661540 /nfs/dbraw/zinc/66/15/40/938661540.db2.gz DPTXKKSTZHDFEE-GFCCVEGCSA-N 1 2 361.273 1.744 20 10 FDCDLO COc1cccc(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1O ZINC000810328224 940973841 /nfs/dbraw/zinc/97/38/41/940973841.db2.gz KADAYZPLLJAHSK-OAHLLOKOSA-N 1 2 374.441 1.514 20 10 FDCDLO COc1cccc(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1O ZINC000810328224 940973842 /nfs/dbraw/zinc/97/38/42/940973842.db2.gz KADAYZPLLJAHSK-OAHLLOKOSA-N 1 2 374.441 1.514 20 10 FDCDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816635122 942293504 /nfs/dbraw/zinc/29/35/04/942293504.db2.gz DEYKGHXWRUVSRI-QGZVFWFLSA-N 1 2 354.397 1.995 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)ccc21 ZINC001174940642 962989356 /nfs/dbraw/zinc/98/93/56/962989356.db2.gz IBEWUBSDLDKKNM-KRWDZBQOSA-N 1 2 370.453 1.961 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)ccc21 ZINC001174940642 962989364 /nfs/dbraw/zinc/98/93/64/962989364.db2.gz IBEWUBSDLDKKNM-KRWDZBQOSA-N 1 2 370.453 1.961 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NC[C@@H]3CCO[C@@H]3C)cc12 ZINC001184361572 963543435 /nfs/dbraw/zinc/54/34/35/963543435.db2.gz IQHVWTGOXWLFIM-KGLIPLIRSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NC[C@@H]3CCO[C@@H]3C)cc12 ZINC001184361572 963543441 /nfs/dbraw/zinc/54/34/41/963543441.db2.gz IQHVWTGOXWLFIM-KGLIPLIRSA-N 1 2 374.437 1.780 20 10 FDCDLO Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc3c(=O)[nH]ccn23)c1 ZINC001179611187 964928680 /nfs/dbraw/zinc/92/86/80/964928680.db2.gz HFFVLSDMZVEOEU-UHFFFAOYSA-N 1 2 364.203 1.484 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CCO[C@H](C)C3)C2)cc1 ZINC000853604399 968176984 /nfs/dbraw/zinc/17/69/84/968176984.db2.gz DDESADYRWCOFRD-HZPDHXFCSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CCO[C@H](C)C3)C2)cc1 ZINC000853604399 968176988 /nfs/dbraw/zinc/17/69/88/968176988.db2.gz DDESADYRWCOFRD-HZPDHXFCSA-N 1 2 362.474 1.294 20 10 FDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001193604276 969790535 /nfs/dbraw/zinc/79/05/35/969790535.db2.gz UDVAJKIKISFKSX-BETUJISGSA-N 1 2 352.818 1.686 20 10 FDCDLO O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001193604276 969790540 /nfs/dbraw/zinc/79/05/40/969790540.db2.gz UDVAJKIKISFKSX-BETUJISGSA-N 1 2 352.818 1.686 20 10 FDCDLO COC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881379560 979895945 /nfs/dbraw/zinc/89/59/45/979895945.db2.gz URAJOHWGSPEXGC-KRWDZBQOSA-N 1 2 357.458 1.668 20 10 FDCDLO COC(=O)c1cn(CC[NH2+]Cc2cc(Br)cc(F)c2O)nn1 ZINC000883113406 981956639 /nfs/dbraw/zinc/95/66/39/981956639.db2.gz RRNGOGPDWKJGNM-UHFFFAOYSA-N 1 2 373.182 1.462 20 10 FDCDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862396693 984374049 /nfs/dbraw/zinc/37/40/49/984374049.db2.gz WMQQVIOUZUCKTM-LBPRGKRZSA-N 1 2 371.231 1.408 20 10 FDCDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000862396693 984374056 /nfs/dbraw/zinc/37/40/56/984374056.db2.gz WMQQVIOUZUCKTM-LBPRGKRZSA-N 1 2 371.231 1.408 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c(OC)c1 ZINC000870164890 985760288 /nfs/dbraw/zinc/76/02/88/985760288.db2.gz FTLVAIQJQSGKES-OAHLLOKOSA-N 1 2 370.453 1.812 20 10 FDCDLO C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(N2CCOCC2)cc1 ZINC000875156777 990977542 /nfs/dbraw/zinc/97/75/42/990977542.db2.gz CNVSEKQGMRCITR-GDBMZVCRSA-N 1 2 355.442 1.705 20 10 FDCDLO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000927029216 996419847 /nfs/dbraw/zinc/41/98/47/996419847.db2.gz ZIQOLRXRSZLVAT-CBAPKCEASA-N 1 2 370.240 1.350 20 10 FDCDLO CCCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)c(O)c1 ZINC000271043027 999652064 /nfs/dbraw/zinc/65/20/64/999652064.db2.gz PPESKLLHPIGVOS-UHFFFAOYSA-N 1 2 363.458 1.350 20 10 FDCDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294781370 676397166 /nfs/dbraw/zinc/39/71/66/676397166.db2.gz BSLDZULRBVDKRC-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000135729465 524166870 /nfs/dbraw/zinc/16/68/70/524166870.db2.gz HCDHDEUMRAFZHN-HNNXBMFYSA-N 1 2 370.446 1.734 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000135729465 524166880 /nfs/dbraw/zinc/16/68/80/524166880.db2.gz HCDHDEUMRAFZHN-HNNXBMFYSA-N 1 2 370.446 1.734 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1F ZINC000084867012 524333255 /nfs/dbraw/zinc/33/32/55/524333255.db2.gz GEJGKICFSIWQRV-GDBMZVCRSA-N 1 2 365.449 1.640 20 10 FDCDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000101594253 525237927 /nfs/dbraw/zinc/23/79/27/525237927.db2.gz ZBFGUCNSQLFTPY-UHFFFAOYSA-N 1 2 365.411 1.841 20 10 FDCDLO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130532298 525765807 /nfs/dbraw/zinc/76/58/07/525765807.db2.gz COWZYZMCJIDAJE-QGZVFWFLSA-N 1 2 354.454 1.941 20 10 FDCDLO COC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000184573538 536165680 /nfs/dbraw/zinc/16/56/80/536165680.db2.gz FEAIBVJDUFLDTA-GOSISDBHSA-N 1 2 373.453 1.914 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000283397683 537376542 /nfs/dbraw/zinc/37/65/42/537376542.db2.gz HNNHKZQOYXGNHQ-UHFFFAOYSA-N 1 2 355.442 1.382 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000299242745 537504015 /nfs/dbraw/zinc/50/40/15/537504015.db2.gz KDPWBCMDXDNIPB-ZBFHGGJFSA-N 1 2 359.392 1.756 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000299242745 537504023 /nfs/dbraw/zinc/50/40/23/537504023.db2.gz KDPWBCMDXDNIPB-ZBFHGGJFSA-N 1 2 359.392 1.756 20 10 FDCDLO Cn1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000160311335 672000968 /nfs/dbraw/zinc/00/09/68/672000968.db2.gz VRPOUIXDUQTFAQ-SDNWHVSQSA-N 1 2 351.497 1.949 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1F ZINC000170833749 672046991 /nfs/dbraw/zinc/04/69/91/672046991.db2.gz ZBGJVXBGJUBKPP-UHFFFAOYSA-N 1 2 352.454 1.802 20 10 FDCDLO CN(C)c1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1F ZINC000170833749 672046996 /nfs/dbraw/zinc/04/69/96/672046996.db2.gz ZBGJVXBGJUBKPP-UHFFFAOYSA-N 1 2 352.454 1.802 20 10 FDCDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294781370 676397165 /nfs/dbraw/zinc/39/71/65/676397165.db2.gz BSLDZULRBVDKRC-SNVBAGLBSA-N 1 2 350.843 1.946 20 10 FDCDLO COc1cc(Br)cc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1O ZINC000369698778 677511345 /nfs/dbraw/zinc/51/13/45/677511345.db2.gz XLHOYYCBJHPDHH-LBPRGKRZSA-N 1 2 370.247 1.715 20 10 FDCDLO COc1cc(Br)cc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)c1O ZINC000369698778 677511346 /nfs/dbraw/zinc/51/13/46/677511346.db2.gz XLHOYYCBJHPDHH-LBPRGKRZSA-N 1 2 370.247 1.715 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000276590422 778312085 /nfs/dbraw/zinc/31/20/85/778312085.db2.gz NBDARWBPMGMZLE-HXUWFJFHSA-N 1 2 373.497 1.783 20 10 FDCDLO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000276590422 778312092 /nfs/dbraw/zinc/31/20/92/778312092.db2.gz NBDARWBPMGMZLE-HXUWFJFHSA-N 1 2 373.497 1.783 20 10 FDCDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569619 814796942 /nfs/dbraw/zinc/79/69/42/814796942.db2.gz KKSGZXMEDJJFIC-CJNGLKHVSA-N 1 2 364.446 1.894 20 10 FDCDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273569619 814796943 /nfs/dbraw/zinc/79/69/43/814796943.db2.gz KKSGZXMEDJJFIC-CJNGLKHVSA-N 1 2 364.446 1.894 20 10 FDCDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894469362 818100122 /nfs/dbraw/zinc/10/01/22/818100122.db2.gz MGGGNDGSLVVWRA-LBPRGKRZSA-N 1 2 352.341 1.886 20 10 FDCDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nn1 ZINC000894469362 818100127 /nfs/dbraw/zinc/10/01/27/818100127.db2.gz MGGGNDGSLVVWRA-LBPRGKRZSA-N 1 2 352.341 1.886 20 10 FDCDLO CN(C)c1ccc([C@@H](CNS(=O)(=O)C2CCC(=O)CC2)[NH+](C)C)cc1 ZINC000908460447 855445472 /nfs/dbraw/zinc/44/54/72/855445472.db2.gz TWSYMWMKZXQXHK-GOSISDBHSA-N 1 2 367.515 1.786 20 10 FDCDLO CCc1nc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000772509888 931320495 /nfs/dbraw/zinc/32/04/95/931320495.db2.gz LCBLZTOOMDRZLB-UHFFFAOYSA-N 1 2 358.442 1.798 20 10 FDCDLO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc(Cl)c1O ZINC000806145151 938900252 /nfs/dbraw/zinc/90/02/52/938900252.db2.gz DQEQDUGUPMWWNB-CQSZACIVSA-N 1 2 362.879 1.748 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000809968755 940927593 /nfs/dbraw/zinc/92/75/93/940927593.db2.gz HGRWNHOHZUFBRW-SFHVURJKSA-N 1 2 371.485 1.866 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000809968755 940927594 /nfs/dbraw/zinc/92/75/94/940927594.db2.gz HGRWNHOHZUFBRW-SFHVURJKSA-N 1 2 371.485 1.866 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccccc1O ZINC000810156926 940961820 /nfs/dbraw/zinc/96/18/20/940961820.db2.gz ZUTFVZQWBIQPTI-INIZCTEOSA-N 1 2 358.442 1.847 20 10 FDCDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccccc1O ZINC000810156926 940961822 /nfs/dbraw/zinc/96/18/22/940961822.db2.gz ZUTFVZQWBIQPTI-INIZCTEOSA-N 1 2 358.442 1.847 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000817706066 942900798 /nfs/dbraw/zinc/90/07/98/942900798.db2.gz OHAGUNZWDBQZRW-JKSUJKDBSA-N 1 2 371.485 1.510 20 10 FDCDLO COc1ccc(N(C)CC[N@H+](C)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 ZINC000844725887 948334414 /nfs/dbraw/zinc/33/44/14/948334414.db2.gz QMDHENCFRKUOFY-LJQANCHMSA-N 1 2 362.474 1.987 20 10 FDCDLO COc1ccc(N(C)CC[N@@H+](C)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 ZINC000844725887 948334416 /nfs/dbraw/zinc/33/44/16/948334416.db2.gz QMDHENCFRKUOFY-LJQANCHMSA-N 1 2 362.474 1.987 20 10 FDCDLO O=C(c1cc(O)c(O)c(O)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001148583900 952757657 /nfs/dbraw/zinc/75/76/57/952757657.db2.gz GICNGIXBWFXUNC-UHFFFAOYSA-N 1 2 358.394 1.640 20 10 FDCDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1=O ZINC001171691765 961280183 /nfs/dbraw/zinc/28/01/83/961280183.db2.gz UZEPMLZDAHDFEC-LLVKDONJSA-N 1 2 350.371 1.406 20 10 FDCDLO CC[C@H](COC)NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360335 963541994 /nfs/dbraw/zinc/54/19/94/963541994.db2.gz NHLBSODGJHHTNX-CQSZACIVSA-N 1 2 362.426 1.780 20 10 FDCDLO CC[C@H](COC)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360335 963541998 /nfs/dbraw/zinc/54/19/98/963541998.db2.gz NHLBSODGJHHTNX-CQSZACIVSA-N 1 2 362.426 1.780 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CCO[C@@H](C)C3)C2)cc1 ZINC000853604398 968177187 /nfs/dbraw/zinc/17/71/87/968177187.db2.gz DDESADYRWCOFRD-HOTGVXAUSA-N 1 2 362.474 1.294 20 10 FDCDLO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CCO[C@@H](C)C3)C2)cc1 ZINC000853604398 968177198 /nfs/dbraw/zinc/17/71/98/968177198.db2.gz DDESADYRWCOFRD-HOTGVXAUSA-N 1 2 362.474 1.294 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC001193176278 969504887 /nfs/dbraw/zinc/50/48/87/969504887.db2.gz RWUXTONMTJIVRR-OAHLLOKOSA-N 1 2 360.483 1.937 20 10 FDCDLO CN(C)c1ccc(-c2nc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC001193176278 969504891 /nfs/dbraw/zinc/50/48/91/969504891.db2.gz RWUXTONMTJIVRR-OAHLLOKOSA-N 1 2 360.483 1.937 20 10 FDCDLO CN(C)c1ccc(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000866100674 975406263 /nfs/dbraw/zinc/40/62/63/975406263.db2.gz FIABOSKZVXRTGE-UHFFFAOYSA-N 1 2 368.485 1.613 20 10 FDCDLO Cc1ccc(O)c(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000860656343 983474842 /nfs/dbraw/zinc/47/48/42/983474842.db2.gz JXMSRYOOPKXZCP-UHFFFAOYSA-N 1 2 359.430 1.551 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCO[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000299105343 988125777 /nfs/dbraw/zinc/12/57/77/988125777.db2.gz OGGBMUSNHXLQET-RTBURBONSA-N 1 2 359.470 1.597 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCO[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000299105343 988125784 /nfs/dbraw/zinc/12/57/84/988125784.db2.gz OGGBMUSNHXLQET-RTBURBONSA-N 1 2 359.470 1.597 20 10 FDCDLO CN(C)c1ccc(CNC(=O)C[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1 ZINC000298374634 990077655 /nfs/dbraw/zinc/07/76/55/990077655.db2.gz GGLULDUBLPZKHM-FQEVSTJZSA-N 1 2 354.454 1.359 20 10 FDCDLO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000875679761 991903923 /nfs/dbraw/zinc/90/39/23/991903923.db2.gz RNXPKDTTYUBRKK-GJZGRUSLSA-N 1 2 355.442 1.642 20 10 FDCDLO COc1ccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)c(OC)c1 ZINC000877708461 993460275 /nfs/dbraw/zinc/46/02/75/993460275.db2.gz MSHZORQDLRANCV-UHFFFAOYSA-N 1 2 368.499 1.651 20 10 FDCDLO CC(C)[N@H+](Cc1nnc2c(=O)n(C)ccn12)Cc1ccc(N(C)C)cc1 ZINC000877975600 993586106 /nfs/dbraw/zinc/58/61/06/993586106.db2.gz ALQCHJNEHQCQAT-UHFFFAOYSA-N 1 2 354.458 1.905 20 10 FDCDLO CC(C)[N@@H+](Cc1nnc2c(=O)n(C)ccn12)Cc1ccc(N(C)C)cc1 ZINC000877975600 993586120 /nfs/dbraw/zinc/58/61/20/993586120.db2.gz ALQCHJNEHQCQAT-UHFFFAOYSA-N 1 2 354.458 1.905 20 10 FDCDLO COCc1cc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000266275665 999139112 /nfs/dbraw/zinc/13/91/12/999139112.db2.gz PGVLYQDSRCEERZ-UHFFFAOYSA-N 1 2 374.441 1.382 20 10 FDCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284129572 999777641 /nfs/dbraw/zinc/77/76/41/999777641.db2.gz WUIBCEHICJOZOD-UHFFFAOYSA-N 1 2 369.469 1.648 20 10 FDCDLO COc1cc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cc(OC)c1OC ZINC000287603357 999958921 /nfs/dbraw/zinc/95/89/21/999958921.db2.gz AFOLIMDUHHZSFA-UHFFFAOYSA-N 1 2 374.441 1.717 20 10 FDCDLO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cn1cc[nH+]c1 ZINC000271354372 674336148 /nfs/dbraw/zinc/33/61/48/674336148.db2.gz HXBIXMHXNQXNKS-LLVKDONJSA-N 1 2 352.416 1.026 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000057910377 522181142 /nfs/dbraw/zinc/18/11/42/522181142.db2.gz SRRAXYBMYLEFRX-UHFFFAOYSA-N 1 2 354.445 1.594 20 10 FDCDLO COc1cccc(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)c1O ZINC000073633435 522569228 /nfs/dbraw/zinc/56/92/28/522569228.db2.gz IZYQXZIVQGXYJI-UHFFFAOYSA-N 1 2 353.382 1.981 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000158278051 524435481 /nfs/dbraw/zinc/43/54/81/524435481.db2.gz GLWIVZHGKZPZPA-LJQANCHMSA-N 1 2 369.469 1.746 20 10 FDCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1O ZINC000131173702 525831788 /nfs/dbraw/zinc/83/17/88/525831788.db2.gz JWPKQPYGDYDCOS-QGZVFWFLSA-N 1 2 363.433 1.648 20 10 FDCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185072701 536197468 /nfs/dbraw/zinc/19/74/68/536197468.db2.gz KYORFPFPUDELKD-UHFFFAOYSA-N 1 2 362.361 1.961 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@]3(C)C(N)=O)CC2)cc1 ZINC000185933851 536221874 /nfs/dbraw/zinc/22/18/74/536221874.db2.gz BPBNKRYLVMOZDE-FQEVSTJZSA-N 1 2 374.485 1.074 20 10 FDCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@@]3(C)C(N)=O)CC2)cc1 ZINC000185933851 536221875 /nfs/dbraw/zinc/22/18/75/536221875.db2.gz BPBNKRYLVMOZDE-FQEVSTJZSA-N 1 2 374.485 1.074 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285615778 537737614 /nfs/dbraw/zinc/73/76/14/537737614.db2.gz NACVAGDBGPJKBM-AWEZNQCLSA-N 1 2 358.435 1.590 20 10 FDCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000285615778 537737615 /nfs/dbraw/zinc/73/76/15/537737615.db2.gz NACVAGDBGPJKBM-AWEZNQCLSA-N 1 2 358.435 1.590 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COCC[N@@H+]3C)ccc21 ZINC000628921357 557706350 /nfs/dbraw/zinc/70/63/50/557706350.db2.gz IECOYYNCQBMKTP-QGZVFWFLSA-N 1 2 359.470 1.965 20 10 FDCDLO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COCC[N@H+]3C)ccc21 ZINC000628921357 557706352 /nfs/dbraw/zinc/70/63/52/557706352.db2.gz IECOYYNCQBMKTP-QGZVFWFLSA-N 1 2 359.470 1.965 20 10 FDCDLO COCc1noc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000276147993 674712983 /nfs/dbraw/zinc/71/29/83/674712983.db2.gz DTKOISRTBMHFHM-UHFFFAOYSA-N 1 2 352.822 1.893 20 10 FDCDLO COc1ccc(N2CC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)cc1F ZINC000084866239 671480252 /nfs/dbraw/zinc/48/02/52/671480252.db2.gz NSBMQHISPXZSNP-CQSZACIVSA-N 1 2 351.422 1.204 20 10 FDCDLO CS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000123484401 671726623 /nfs/dbraw/zinc/72/66/23/671726623.db2.gz SZMHSVBTSFSJLO-UHFFFAOYSA-N 1 2 363.277 1.668 20 10 FDCDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000289614938 676158852 /nfs/dbraw/zinc/15/88/52/676158852.db2.gz LJTSENOTMQLCDI-UHFFFAOYSA-N 1 2 371.455 1.343 20 10 FDCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000294902483 676398509 /nfs/dbraw/zinc/39/85/09/676398509.db2.gz XILBKYWULIKDQK-GFCCVEGCSA-N 1 2 353.375 1.972 20 10 FDCDLO CCn1c[nH+]c2c1CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000933261974 776466278 /nfs/dbraw/zinc/46/62/78/776466278.db2.gz LMSPNJINCKTNFX-UHFFFAOYSA-N 1 2 355.486 1.986 20 10 FDCDLO CC[C@@H](CO)Nc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000891443614 777523108 /nfs/dbraw/zinc/52/31/08/777523108.db2.gz JSILKXWTTVMBJZ-HNNXBMFYSA-N 1 2 357.458 1.995 20 10 FDCDLO CC[C@@H](CO)Nc1cc(N2CCN(c3ccc(OC)cc3)CC2)[nH+]cn1 ZINC000891443614 777523113 /nfs/dbraw/zinc/52/31/13/777523113.db2.gz JSILKXWTTVMBJZ-HNNXBMFYSA-N 1 2 357.458 1.995 20 10 FDCDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CCOCC1 ZINC000893955459 809833162 /nfs/dbraw/zinc/83/31/62/809833162.db2.gz CCZLABRUZVBPPO-OAHLLOKOSA-N 1 2 353.415 1.857 20 10 FDCDLO COc1ccc(N2CCC[N@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1 ZINC000054570417 841894216 /nfs/dbraw/zinc/89/42/16/841894216.db2.gz JDXKXBBVWUMVPS-FQEVSTJZSA-N 1 2 372.469 1.885 20 10 FDCDLO COc1ccc(N2CCC[N@@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1 ZINC000054570417 841894225 /nfs/dbraw/zinc/89/42/25/841894225.db2.gz JDXKXBBVWUMVPS-FQEVSTJZSA-N 1 2 372.469 1.885 20 10 FDCDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 ZINC000171964958 865407644 /nfs/dbraw/zinc/40/76/44/865407644.db2.gz QJQZFPZCWBZUAQ-FUHWJXTLSA-N 1 2 361.486 1.843 20 10 FDCDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C[C@H](C)O1 ZINC000171964958 865407651 /nfs/dbraw/zinc/40/76/51/865407651.db2.gz QJQZFPZCWBZUAQ-FUHWJXTLSA-N 1 2 361.486 1.843 20 10 FDCDLO Oc1c(I)cccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237777170 897388448 /nfs/dbraw/zinc/38/84/48/897388448.db2.gz NIANIYLYBAHKRI-ONGXEEELSA-N 1 2 351.159 1.902 20 10 FDCDLO Oc1c(I)cccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237777170 897388457 /nfs/dbraw/zinc/38/84/57/897388457.db2.gz NIANIYLYBAHKRI-ONGXEEELSA-N 1 2 351.159 1.902 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccccc3O)CC2)cc1 ZINC000732923353 920309806 /nfs/dbraw/zinc/30/98/06/920309806.db2.gz YRCHEBPMZFWBJL-UHFFFAOYSA-N 1 2 355.438 1.953 20 10 FDCDLO COC(=O)c1ccc(=O)n(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000739840864 925315904 /nfs/dbraw/zinc/31/59/04/925315904.db2.gz NPAUEHYFIJHFTA-UHFFFAOYSA-N 1 2 358.442 1.964 20 10 FDCDLO COC(=O)c1ccc(=O)n(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000739840864 925315913 /nfs/dbraw/zinc/31/59/13/925315913.db2.gz NPAUEHYFIJHFTA-UHFFFAOYSA-N 1 2 358.442 1.964 20 10 FDCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000789753201 933181587 /nfs/dbraw/zinc/18/15/87/933181587.db2.gz KGTNEELFDGPNNC-NSHDSACASA-N 1 2 353.473 1.143 20 10 FDCDLO C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000793731344 934255446 /nfs/dbraw/zinc/25/54/46/934255446.db2.gz ZNOZYELJTZTTKF-HNNXBMFYSA-N 1 2 357.458 1.723 20 10 FDCDLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805020254 938639120 /nfs/dbraw/zinc/63/91/20/938639120.db2.gz QKJININKJZJKGU-UHFFFAOYSA-N 1 2 372.513 1.703 20 10 FDCDLO COc1cc(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cc(OC)c1OC ZINC000807245407 940282650 /nfs/dbraw/zinc/28/26/50/940282650.db2.gz CUECLTKXZPAMHL-UHFFFAOYSA-N 1 2 374.441 1.337 20 10 FDCDLO C[C@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(N(C)C)cc1 ZINC000807677175 940454128 /nfs/dbraw/zinc/45/41/28/940454128.db2.gz MEIGDRKOQQFRSH-HOCLYGCPSA-N 1 2 369.469 1.679 20 10 FDCDLO CS(=O)(=O)CC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000814178580 941569199 /nfs/dbraw/zinc/56/91/99/941569199.db2.gz VVFRKCISJFGKGJ-UHFFFAOYSA-N 1 2 370.490 1.919 20 10 FDCDLO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000817173278 942609869 /nfs/dbraw/zinc/60/98/69/942609869.db2.gz JXIRWMNWYMOKCZ-HNNXBMFYSA-N 1 2 357.458 1.121 20 10 FDCDLO C[NH+]1CCN(C2CN(Cc3cc(Br)c(F)cc3O)C2)CC1 ZINC001144307696 948620672 /nfs/dbraw/zinc/62/06/72/948620672.db2.gz FSGJYHUPQULECV-UHFFFAOYSA-N 1 2 358.255 1.725 20 10 FDCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774249638 961914893 /nfs/dbraw/zinc/91/48/93/961914893.db2.gz JPZDZGYXMZDPPN-UHFFFAOYSA-N 1 2 351.410 1.964 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)Nc3ncccc3N)cc12 ZINC001184357068 963540314 /nfs/dbraw/zinc/54/03/14/963540314.db2.gz SVABOKBBGCPGDE-UHFFFAOYSA-N 1 2 368.393 1.855 20 10 FDCDLO Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)Nc3ncccc3N)cc12 ZINC001184357068 963540317 /nfs/dbraw/zinc/54/03/17/963540317.db2.gz SVABOKBBGCPGDE-UHFFFAOYSA-N 1 2 368.393 1.855 20 10 FDCDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000774823217 963816963 /nfs/dbraw/zinc/81/69/63/963816963.db2.gz QTZJCOYXCRJGDU-LBPRGKRZSA-N 1 2 358.416 1.708 20 10 FDCDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000774823217 963816969 /nfs/dbraw/zinc/81/69/69/963816969.db2.gz QTZJCOYXCRJGDU-LBPRGKRZSA-N 1 2 358.416 1.708 20 10 FDCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001179682861 964955303 /nfs/dbraw/zinc/95/53/03/964955303.db2.gz ANRSXHHNJOKYTH-DUXPYHPUSA-N 1 2 366.377 1.929 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCO[C@](C)(C3CC3)C1)cc2=O ZINC000852322307 967221827 /nfs/dbraw/zinc/22/18/27/967221827.db2.gz GVTOXOQLRPGZAT-SFHVURJKSA-N 1 2 360.414 1.613 20 10 FDCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCO[C@](C)(C3CC3)C1)cc2=O ZINC000852322307 967221837 /nfs/dbraw/zinc/22/18/37/967221837.db2.gz GVTOXOQLRPGZAT-SFHVURJKSA-N 1 2 360.414 1.613 20 10 FDCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000016878640 977110159 /nfs/dbraw/zinc/11/01/59/977110159.db2.gz JSLJMQJMNFLSDD-HXUWFJFHSA-N 1 2 372.469 1.633 20 10 FDCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000016878640 977110178 /nfs/dbraw/zinc/11/01/78/977110178.db2.gz JSLJMQJMNFLSDD-HXUWFJFHSA-N 1 2 372.469 1.633 20 10 FDCDLO COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)C2)cc1 ZINC000849358464 977453800 /nfs/dbraw/zinc/45/38/00/977453800.db2.gz WIWILTHLLPKEAY-HOCLYGCPSA-N 1 2 355.398 1.160 20 10 FDCDLO COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)C2)cc1 ZINC000849358464 977453803 /nfs/dbraw/zinc/45/38/03/977453803.db2.gz WIWILTHLLPKEAY-HOCLYGCPSA-N 1 2 355.398 1.160 20 10 FDCDLO COc1ccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)c(OC)c1 ZINC000870165677 985761297 /nfs/dbraw/zinc/76/12/97/985761297.db2.gz JAZOXUBBUWDCCS-OAHLLOKOSA-N 1 2 370.453 1.812 20 10 FDCDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000872754006 988038328 /nfs/dbraw/zinc/03/83/28/988038328.db2.gz TXHDCMVGEYKFFD-WFASDCNBSA-N 1 2 360.332 1.461 20 10 FDCDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000872754006 988038339 /nfs/dbraw/zinc/03/83/39/988038339.db2.gz TXHDCMVGEYKFFD-WFASDCNBSA-N 1 2 360.332 1.461 20 10 FDCDLO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccn1 ZINC000295208834 988632540 /nfs/dbraw/zinc/63/25/40/988632540.db2.gz UIBVTEDRAWUMTM-UHFFFAOYSA-N 1 2 372.444 1.806 20 10 FDCDLO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccn1 ZINC000295208834 988632546 /nfs/dbraw/zinc/63/25/46/988632546.db2.gz UIBVTEDRAWUMTM-UHFFFAOYSA-N 1 2 372.444 1.806 20 10 FDCDLO O=S(=O)(CC[NH2+]Cc1ccc(F)c(F)c1O)N1CCSCC1 ZINC000877011886 993008915 /nfs/dbraw/zinc/00/89/15/993008915.db2.gz JDWJNLKVTMVLBR-UHFFFAOYSA-N 1 2 352.428 1.139 20 10 FDCDLO C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1O ZINC000878849496 994286708 /nfs/dbraw/zinc/28/67/08/994286708.db2.gz NXWQIGYTHMEUBK-CQSZACIVSA-N 1 2 359.430 1.804 20 10 FDCDLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000925054156 995265548 /nfs/dbraw/zinc/26/55/48/995265548.db2.gz CHNOKFSVDKVTGZ-GFCCVEGCSA-N 1 2 350.444 1.464 20 10 FDCDLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000285914812 999925393 /nfs/dbraw/zinc/92/53/93/999925393.db2.gz LFYMRNOPENLQRJ-HNNXBMFYSA-N 1 2 373.388 1.049 20 10 FDCDLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000285914812 999925396 /nfs/dbraw/zinc/92/53/96/999925396.db2.gz LFYMRNOPENLQRJ-HNNXBMFYSA-N 1 2 373.388 1.049 20 10 FDCDLO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000778229789 1005716719 /nfs/dbraw/zinc/71/67/19/1005716719.db2.gz AILNUYQYUHGOOM-PBHICJAKSA-N 1 2 367.440 1.958 20 10 FDCDLO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000778229789 1005716726 /nfs/dbraw/zinc/71/67/26/1005716726.db2.gz AILNUYQYUHGOOM-PBHICJAKSA-N 1 2 367.440 1.958 20 10 FDCDLO O=S1(=O)CC[C@@H](N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000022847043 518916230 /nfs/dbraw/zinc/91/62/30/518916230.db2.gz SFAXLFMVCLUFGU-MRXNPFEDSA-N 1 2 360.479 1.850 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000156849502 524161803 /nfs/dbraw/zinc/16/18/03/524161803.db2.gz MJQIKAUYSHNWRM-ROUUACIJSA-N 1 2 358.486 1.454 20 10 FDCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000156849502 524161809 /nfs/dbraw/zinc/16/18/09/524161809.db2.gz MJQIKAUYSHNWRM-ROUUACIJSA-N 1 2 358.486 1.454 20 10 FDCDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000082984124 524222712 /nfs/dbraw/zinc/22/27/12/524222712.db2.gz VPLNXIRZZFJKGL-HXUWFJFHSA-N 1 2 371.481 1.859 20 10 FDCDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000121338502 524224374 /nfs/dbraw/zinc/22/43/74/524224374.db2.gz WJQXRHDCHQEBTO-UHFFFAOYSA-N 1 2 365.455 1.812 20 10 FDCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)cc1F ZINC000122007322 524428860 /nfs/dbraw/zinc/42/88/60/524428860.db2.gz ODMZJUNXRHWPJE-GFCCVEGCSA-N 1 2 364.421 1.333 20 10 FDCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160121145 524814468 /nfs/dbraw/zinc/81/44/68/524814468.db2.gz UWXVTEJOWHSTCR-HNNXBMFYSA-N 1 2 372.444 1.862 20 10 FDCDLO C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000127268625 525404570 /nfs/dbraw/zinc/40/45/70/525404570.db2.gz WOVZNCBCIUXFGX-SJORKVTESA-N 1 2 358.486 1.971 20 10 FDCDLO CCS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266851 526142357 /nfs/dbraw/zinc/14/23/57/526142357.db2.gz ZMYRPIMMMFJKDW-AWEZNQCLSA-N 1 2 374.890 1.561 20 10 FDCDLO CCS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266851 526142370 /nfs/dbraw/zinc/14/23/70/526142370.db2.gz ZMYRPIMMMFJKDW-AWEZNQCLSA-N 1 2 374.890 1.561 20 10 FDCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)Cn1cccn1 ZINC000171927424 526182773 /nfs/dbraw/zinc/18/27/73/526182773.db2.gz RWKQQBCUBUCFPL-AWEZNQCLSA-N 1 2 353.806 1.278 20 10 FDCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)Cn1cccn1 ZINC000171927424 526182783 /nfs/dbraw/zinc/18/27/83/526182783.db2.gz RWKQQBCUBUCFPL-AWEZNQCLSA-N 1 2 353.806 1.278 20 10 FDCDLO C[N@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000190800175 537187137 /nfs/dbraw/zinc/18/71/37/537187137.db2.gz OQGMZPYEJJILKZ-UHFFFAOYSA-N 1 2 370.379 1.704 20 10 FDCDLO C[N@@H+](Cc1nnnn1CC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000190800175 537187140 /nfs/dbraw/zinc/18/71/40/537187140.db2.gz OQGMZPYEJJILKZ-UHFFFAOYSA-N 1 2 370.379 1.704 20 10 FDCDLO CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000272509035 537287620 /nfs/dbraw/zinc/28/76/20/537287620.db2.gz MKBBYLBWNJMCNV-UHFFFAOYSA-N 1 2 369.531 1.627 20 10 FDCDLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000279864514 537355604 /nfs/dbraw/zinc/35/56/04/537355604.db2.gz QGKAZXZGLKUFMQ-UHFFFAOYSA-N 1 2 372.421 1.943 20 10 FDCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)noc3C)CC2)cc1 ZINC000299519335 537592758 /nfs/dbraw/zinc/59/27/58/537592758.db2.gz XWYUYIOYXBQHRI-UHFFFAOYSA-N 1 2 358.442 1.852 20 10 FDCDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCc2ccc3c(c2)CCN3C)CCN1C ZINC000372535016 537971448 /nfs/dbraw/zinc/97/14/48/537971448.db2.gz RVROYVHCYVZGIT-GOSISDBHSA-N 1 2 368.485 1.611 20 10 FDCDLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372807327 538036716 /nfs/dbraw/zinc/03/67/16/538036716.db2.gz YDRYEIBRTAAIAT-UHFFFAOYSA-N 1 2 358.486 1.436 20 10 FDCDLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372807327 538036720 /nfs/dbraw/zinc/03/67/20/538036720.db2.gz YDRYEIBRTAAIAT-UHFFFAOYSA-N 1 2 358.486 1.436 20 10 FDCDLO COc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 ZINC000271789074 674382151 /nfs/dbraw/zinc/38/21/51/674382151.db2.gz IWCGSTBXRABMDZ-UHFFFAOYSA-N 1 2 367.427 1.036 20 10 FDCDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093417063 671521592 /nfs/dbraw/zinc/52/15/92/671521592.db2.gz WNAKTEHJUKWCGL-AWEZNQCLSA-N 1 2 358.479 1.917 20 10 FDCDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093417063 671521598 /nfs/dbraw/zinc/52/15/98/671521598.db2.gz WNAKTEHJUKWCGL-AWEZNQCLSA-N 1 2 358.479 1.917 20 10 FDCDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1O ZINC000119507048 671675385 /nfs/dbraw/zinc/67/53/85/671675385.db2.gz RHMPPEQZLPNPOQ-HNNXBMFYSA-N 1 2 354.472 1.134 20 10 FDCDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1O ZINC000119507048 671675386 /nfs/dbraw/zinc/67/53/86/671675386.db2.gz RHMPPEQZLPNPOQ-HNNXBMFYSA-N 1 2 354.472 1.134 20 10 FDCDLO