smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C)[nH+]1 ZINC000097213869 210098632 /nfs/dbraw/zinc/09/86/32/210098632.db2.gz LWCYEDQFTOGXPU-UHFFFAOYSA-N 1 2 365.481 4.708 20 0 FJADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)[nH+]1 ZINC000097213874 205901976 /nfs/dbraw/zinc/90/19/76/205901976.db2.gz KSTJQHINOAVHOS-UHFFFAOYSA-N 1 2 365.458 4.573 20 0 FJADLO COc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000105813258 206010019 /nfs/dbraw/zinc/01/00/19/206010019.db2.gz ARUNZUZTSRBJFA-LBPRGKRZSA-N 1 2 367.276 4.634 20 0 FJADLO COc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000105813258 206010022 /nfs/dbraw/zinc/01/00/22/206010022.db2.gz ARUNZUZTSRBJFA-LBPRGKRZSA-N 1 2 367.276 4.634 20 0 FJADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000107817966 206025182 /nfs/dbraw/zinc/02/51/82/206025182.db2.gz ZARSOBOJRKZKJJ-OAHLLOKOSA-N 1 2 372.683 4.751 20 0 FJADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000107817966 206025187 /nfs/dbraw/zinc/02/51/87/206025187.db2.gz ZARSOBOJRKZKJJ-OAHLLOKOSA-N 1 2 372.683 4.751 20 0 FJADLO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC000071996742 221394495 /nfs/dbraw/zinc/39/44/95/221394495.db2.gz OMJGHRPMIYKJCX-UHFFFAOYSA-N 1 2 359.351 4.511 20 0 FJADLO Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c(C)[nH+]1 ZINC000097293836 222173166 /nfs/dbraw/zinc/17/31/66/222173166.db2.gz NRZUHQDDBYOXIF-LBPRGKRZSA-N 1 2 353.249 4.720 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@H]1c1ccccn1 ZINC000601858227 567853630 /nfs/dbraw/zinc/85/36/30/567853630.db2.gz XHAPPXCHNVXDFV-FQEVSTJZSA-N 1 2 360.417 4.638 20 0 FJADLO Cc1csc([C@@H](C)[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)n1 ZINC000162123543 567985964 /nfs/dbraw/zinc/98/59/64/567985964.db2.gz HYUFDJDMTBNDGU-SNVBAGLBSA-N 1 2 351.447 4.704 20 0 FJADLO Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602877224 568010428 /nfs/dbraw/zinc/01/04/28/568010428.db2.gz KPFWRXUULAMZTB-GOSISDBHSA-N 1 2 355.482 4.560 20 0 FJADLO Cc1cccc(C)c1OCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602877224 568010430 /nfs/dbraw/zinc/01/04/30/568010430.db2.gz KPFWRXUULAMZTB-GOSISDBHSA-N 1 2 355.482 4.560 20 0 FJADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1ccc(F)cc1F ZINC000186920318 568010560 /nfs/dbraw/zinc/01/05/60/568010560.db2.gz CRNIEYIVEYUXPA-RKDXNWHRSA-N 1 2 359.189 4.673 20 0 FJADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccc(F)cc1F ZINC000186920271 568010565 /nfs/dbraw/zinc/01/05/65/568010565.db2.gz CRNIEYIVEYUXPA-IUCAKERBSA-N 1 2 359.189 4.673 20 0 FJADLO C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H]2CCCC[C@H]12 ZINC000602744596 568021643 /nfs/dbraw/zinc/02/16/43/568021643.db2.gz ZEOWZMHHHJASFW-MAODMQOUSA-N 1 2 350.462 4.915 20 0 FJADLO Cc1ccc(C[S@@](=O)Cc2ccc(Br)c(Cl)c2)c(C)[nH+]1 ZINC000188802351 568026194 /nfs/dbraw/zinc/02/61/94/568026194.db2.gz XBGBZCQDTPTISI-FQEVSTJZSA-N 1 2 372.715 4.563 20 0 FJADLO Cc1cccc2nc(C[NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)cn21 ZINC000068997043 568090675 /nfs/dbraw/zinc/09/06/75/568090675.db2.gz LTEPBESRYWMPPI-UHFFFAOYSA-N 1 2 374.469 4.802 20 0 FJADLO CCc1cc(N[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)nc[nH+]1 ZINC000603393200 568095155 /nfs/dbraw/zinc/09/51/55/568095155.db2.gz CTSURYWEOHBBEG-MRXNPFEDSA-N 1 2 366.490 4.661 20 0 FJADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000603519004 568109178 /nfs/dbraw/zinc/10/91/78/568109178.db2.gz UOZCGXXISYXEJG-QGZVFWFLSA-N 1 2 370.449 4.571 20 0 FJADLO c1sc(C2CC2)nc1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000603513306 568111101 /nfs/dbraw/zinc/11/11/01/568111101.db2.gz BBYMPOCEPLBSSR-FQEVSTJZSA-N 1 2 350.487 4.930 20 0 FJADLO Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3[nH+]ccn3c2)c(C)c1 ZINC000603785434 568139581 /nfs/dbraw/zinc/13/95/81/568139581.db2.gz OAFWVKJZPNHWQV-UHFFFAOYSA-N 1 2 374.469 4.750 20 0 FJADLO C[C@H]([NH2+]Cc1ccc(Br)cn1)c1nc(-c2ccccc2)cs1 ZINC000603723964 568142421 /nfs/dbraw/zinc/14/24/21/568142421.db2.gz QQIJAFNXPIYWPB-LBPRGKRZSA-N 1 2 374.307 4.818 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000603808484 568142882 /nfs/dbraw/zinc/14/28/82/568142882.db2.gz BGQGQQZYZHEGBL-HZPDHXFCSA-N 1 2 374.469 4.633 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000603808482 568142901 /nfs/dbraw/zinc/14/29/01/568142901.db2.gz BGQGQQZYZHEGBL-CVEARBPZSA-N 1 2 374.469 4.633 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CSc2ccccc21 ZINC000522782417 568145167 /nfs/dbraw/zinc/14/51/67/568145167.db2.gz XISSAIGZZFTNQF-SFHVURJKSA-N 1 2 363.442 4.842 20 0 FJADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881527 568176403 /nfs/dbraw/zinc/17/64/03/568176403.db2.gz DJRKTWKZDNOEMO-JTQLQIEISA-N 1 2 366.273 4.760 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(Br)cc2ccccc21 ZINC000603884498 568176846 /nfs/dbraw/zinc/17/68/46/568176846.db2.gz HCXLLQUPAFLFPP-UHFFFAOYSA-N 1 2 366.218 4.502 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(SCc2ccccc2)cc1 ZINC000603884268 568176893 /nfs/dbraw/zinc/17/68/93/568176893.db2.gz FDLYYALNDPHAGF-UHFFFAOYSA-N 1 2 359.454 4.879 20 0 FJADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2cc[nH]n2)cc1C ZINC000603933953 568183008 /nfs/dbraw/zinc/18/30/08/568183008.db2.gz YDLUTMZFSJXPDJ-UHFFFAOYSA-N 1 2 371.488 4.511 20 0 FJADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2cc[nH]n2)cc1C ZINC000603933953 568183009 /nfs/dbraw/zinc/18/30/09/568183009.db2.gz YDLUTMZFSJXPDJ-UHFFFAOYSA-N 1 2 371.488 4.511 20 0 FJADLO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000604043240 568203376 /nfs/dbraw/zinc/20/33/76/568203376.db2.gz NAVZLDBFFNHWIP-CYBMUJFWSA-N 1 2 354.841 4.511 20 0 FJADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000604043240 568203377 /nfs/dbraw/zinc/20/33/77/568203377.db2.gz NAVZLDBFFNHWIP-CYBMUJFWSA-N 1 2 354.841 4.511 20 0 FJADLO Cc1ccc(C(=O)N(Cc2ccccn2)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000604222551 568228498 /nfs/dbraw/zinc/22/84/98/568228498.db2.gz DRBNEOPBRVVQPO-UHFFFAOYSA-N 1 2 361.445 4.628 20 0 FJADLO CCOc1ccccc1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604224357 568228925 /nfs/dbraw/zinc/22/89/25/568228925.db2.gz BRGQMJVPXYQQGK-UHFFFAOYSA-N 1 2 362.429 4.511 20 0 FJADLO CCCCc1[nH]c2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cc2[nH+]1 ZINC000604225304 568229261 /nfs/dbraw/zinc/22/92/61/568229261.db2.gz VCWXBFNPIKCHTA-FQEVSTJZSA-N 1 2 363.461 4.548 20 0 FJADLO Cc1ccc(C(=O)NCc2ccc3ccccc3n2)cc1Oc1cc[nH+]cc1 ZINC000604219587 568230381 /nfs/dbraw/zinc/23/03/81/568230381.db2.gz PUMLUXVBUFCQND-UHFFFAOYSA-N 1 2 369.424 4.661 20 0 FJADLO Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1Oc1cc[nH+]cc1 ZINC000604232104 568233898 /nfs/dbraw/zinc/23/38/98/568233898.db2.gz QEBSQFDMJWDXJH-MRXNPFEDSA-N 1 2 360.413 4.610 20 0 FJADLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000007593288 568247021 /nfs/dbraw/zinc/24/70/21/568247021.db2.gz ZFWWYESEDGMNFL-KUHUBIRLSA-N 1 2 354.837 4.639 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccnc1SCC1CCCCC1 ZINC000604331543 568251036 /nfs/dbraw/zinc/25/10/36/568251036.db2.gz SZHSRMVYNIYSAG-UHFFFAOYSA-N 1 2 366.490 4.654 20 0 FJADLO COc1ccc(OC)c(C[N@H+](Cc2csc(C3CC3)n2)C(C)(C)C)c1 ZINC000533939238 568280959 /nfs/dbraw/zinc/28/09/59/568280959.db2.gz NPUUOFVBFNQKDK-UHFFFAOYSA-N 1 2 360.523 4.838 20 0 FJADLO COc1ccc(OC)c(C[N@@H+](Cc2csc(C3CC3)n2)C(C)(C)C)c1 ZINC000533939238 568280960 /nfs/dbraw/zinc/28/09/60/568280960.db2.gz NPUUOFVBFNQKDK-UHFFFAOYSA-N 1 2 360.523 4.838 20 0 FJADLO CCc1ccc(-c2noc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)n2)cc1 ZINC000604394470 568284437 /nfs/dbraw/zinc/28/44/37/568284437.db2.gz KZNJPIBWCLLZQT-LJQANCHMSA-N 1 2 365.502 4.589 20 0 FJADLO CCc1ccc(-c2noc(C[N@H+]3CCSC[C@@H]3c3ccccc3)n2)cc1 ZINC000604394470 568284438 /nfs/dbraw/zinc/28/44/38/568284438.db2.gz KZNJPIBWCLLZQT-LJQANCHMSA-N 1 2 365.502 4.589 20 0 FJADLO Fc1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3c3ccccc3)co2)cc1 ZINC000604394710 568284533 /nfs/dbraw/zinc/28/45/33/568284533.db2.gz XOPPNEHOKJQJKK-IBGZPJMESA-N 1 2 354.450 4.771 20 0 FJADLO Fc1ccc(-c2nc(C[N@H+]3CCSC[C@H]3c3ccccc3)co2)cc1 ZINC000604394710 568284534 /nfs/dbraw/zinc/28/45/34/568284534.db2.gz XOPPNEHOKJQJKK-IBGZPJMESA-N 1 2 354.450 4.771 20 0 FJADLO Fc1ccc(-c2nc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)co2)cc1F ZINC000604395281 568284788 /nfs/dbraw/zinc/28/47/88/568284788.db2.gz IHUWCXNGUHRAKQ-LJQANCHMSA-N 1 2 372.440 4.910 20 0 FJADLO Fc1ccc(-c2nc(C[N@H+]3CCSC[C@@H]3c3ccccc3)co2)cc1F ZINC000604395281 568284790 /nfs/dbraw/zinc/28/47/90/568284790.db2.gz IHUWCXNGUHRAKQ-LJQANCHMSA-N 1 2 372.440 4.910 20 0 FJADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303547557 568291615 /nfs/dbraw/zinc/29/16/15/568291615.db2.gz VQBBFQQEKDYIMC-IRXDYDNUSA-N 1 2 371.362 4.838 20 0 FJADLO CC(C)c1ccc([C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)c2cccs2)cc1 ZINC000564571294 568294082 /nfs/dbraw/zinc/29/40/82/568294082.db2.gz FANGXCBFASQDMZ-IERDGZPVSA-N 1 2 367.518 4.925 20 0 FJADLO Cc1ccccc1COc1c(C)cc(C[N@@H+](C)Cc2nccn2C)cc1C ZINC000604396213 568295380 /nfs/dbraw/zinc/29/53/80/568295380.db2.gz UZJQJJCGECHJRZ-UHFFFAOYSA-N 1 2 363.505 4.556 20 0 FJADLO Cc1ccccc1COc1c(C)cc(C[N@H+](C)Cc2nccn2C)cc1C ZINC000604396213 568295381 /nfs/dbraw/zinc/29/53/81/568295381.db2.gz UZJQJJCGECHJRZ-UHFFFAOYSA-N 1 2 363.505 4.556 20 0 FJADLO CCOC(=O)c1nc(C[N@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000604492728 568303690 /nfs/dbraw/zinc/30/36/90/568303690.db2.gz GRKSHKFZOKDNPD-NSHDSACASA-N 1 2 372.412 4.532 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000604492728 568303691 /nfs/dbraw/zinc/30/36/91/568303691.db2.gz GRKSHKFZOKDNPD-NSHDSACASA-N 1 2 372.412 4.532 20 0 FJADLO CCCC[N@H+](Cc1csc(C(=O)OCC)n1)[C@@H](C)c1ccc(C)o1 ZINC000604493643 568304072 /nfs/dbraw/zinc/30/40/72/568304072.db2.gz USLAVSLDYRFMRS-AWEZNQCLSA-N 1 2 350.484 4.585 20 0 FJADLO CCCC[N@@H+](Cc1csc(C(=O)OCC)n1)[C@@H](C)c1ccc(C)o1 ZINC000604493643 568304073 /nfs/dbraw/zinc/30/40/73/568304073.db2.gz USLAVSLDYRFMRS-AWEZNQCLSA-N 1 2 350.484 4.585 20 0 FJADLO O=C(CSCc1ccc(F)cc1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000604539499 568309324 /nfs/dbraw/zinc/30/93/24/568309324.db2.gz RAQNTUXSROSGMW-UHFFFAOYSA-N 1 2 369.465 4.841 20 0 FJADLO CC(C)CC[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000604576191 568315799 /nfs/dbraw/zinc/31/57/99/568315799.db2.gz TYJQDVSKSPVBHU-MOPGFXCFSA-N 1 2 370.541 4.660 20 0 FJADLO CC(C)CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000604580688 568320566 /nfs/dbraw/zinc/32/05/66/568320566.db2.gz HFIFQJJCLSSFSP-FQEVSTJZSA-N 1 2 370.541 4.582 20 0 FJADLO CC(C)CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000604580689 568320576 /nfs/dbraw/zinc/32/05/76/568320576.db2.gz HFIFQJJCLSSFSP-HXUWFJFHSA-N 1 2 370.541 4.582 20 0 FJADLO Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1Oc1cc[nH+]cc1 ZINC000604601141 568323466 /nfs/dbraw/zinc/32/34/66/568323466.db2.gz KMGXTMSHHSDOOL-OAQYLSRUSA-N 1 2 374.440 4.865 20 0 FJADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)CCC2CCCCC2)c1C ZINC000604663170 568342099 /nfs/dbraw/zinc/34/20/99/568342099.db2.gz OXCFVFKUUMKRFN-INIZCTEOSA-N 1 2 361.530 4.597 20 0 FJADLO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000604705612 568353670 /nfs/dbraw/zinc/35/36/70/568353670.db2.gz LINPGBBUXKMCIA-OALUTQOASA-N 1 2 366.505 4.521 20 0 FJADLO CC(C)[C@H](CC1CCCC1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000604740084 568359417 /nfs/dbraw/zinc/35/94/17/568359417.db2.gz AREORBUCJAPFMK-FQEVSTJZSA-N 1 2 357.542 4.541 20 0 FJADLO Cc1ccc2[nH+]c(CN3CCSC[C@@H]3c3ccc(Cl)cc3)cn2c1 ZINC000604774623 568361757 /nfs/dbraw/zinc/36/17/57/568361757.db2.gz DKEUKEBTVCDNCB-GOSISDBHSA-N 1 2 357.910 4.586 20 0 FJADLO Cc1ccc2[nH+]c(CN3CCSC[C@H]3c3ccc(Cl)cc3)cn2c1 ZINC000604774624 568361840 /nfs/dbraw/zinc/36/18/40/568361840.db2.gz DKEUKEBTVCDNCB-SFHVURJKSA-N 1 2 357.910 4.586 20 0 FJADLO Cc1ccc(C)c(Oc2ccc(CNc3cc(C)[nH+]c(C4CC4)n3)cn2)c1 ZINC000604757168 568365170 /nfs/dbraw/zinc/36/51/70/568365170.db2.gz XCRLPVSNQIHGEK-UHFFFAOYSA-N 1 2 360.461 4.501 20 0 FJADLO Cc1ccc(OC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)cc1 ZINC000604885358 568380789 /nfs/dbraw/zinc/38/07/89/568380789.db2.gz HQOWTKHQGYDMKW-UHFFFAOYSA-N 1 2 354.475 4.755 20 0 FJADLO CC(C)n1ccc(C[N@H+](Cc2cc(Br)ccc2F)C(C)C)n1 ZINC000604884673 568384549 /nfs/dbraw/zinc/38/45/49/568384549.db2.gz BUAVOVSKCOGRIV-UHFFFAOYSA-N 1 2 368.294 4.776 20 0 FJADLO CC(C)n1ccc(C[N@@H+](Cc2cc(Br)ccc2F)C(C)C)n1 ZINC000604884673 568384550 /nfs/dbraw/zinc/38/45/50/568384550.db2.gz BUAVOVSKCOGRIV-UHFFFAOYSA-N 1 2 368.294 4.776 20 0 FJADLO FC(F)(F)c1ccccc1OCCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000604903232 568385498 /nfs/dbraw/zinc/38/54/98/568385498.db2.gz AWGSZPLHUWQEMD-MRXNPFEDSA-N 1 2 369.383 4.531 20 0 FJADLO FC(F)(F)c1ccccc1OCCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000604903232 568385499 /nfs/dbraw/zinc/38/54/99/568385499.db2.gz AWGSZPLHUWQEMD-MRXNPFEDSA-N 1 2 369.383 4.531 20 0 FJADLO CCCN(Cc1ccccc1F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644852603 568386057 /nfs/dbraw/zinc/38/60/57/568386057.db2.gz PBWMTWBFIGBLBI-LJQANCHMSA-N 1 2 365.452 4.510 20 0 FJADLO Cc1nnc([C@H]2CC23CC[NH+](Cc2csc(Cl)c2Cl)CC3)o1 ZINC000365269305 568391284 /nfs/dbraw/zinc/39/12/84/568391284.db2.gz RWWWWJUAHLPFDN-LLVKDONJSA-N 1 2 358.294 4.516 20 0 FJADLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000005627736 568391665 /nfs/dbraw/zinc/39/16/65/568391665.db2.gz QJUJYQSSCVXOFM-UHFFFAOYSA-N 1 2 355.441 4.574 20 0 FJADLO CC1(C)CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000644853766 568417348 /nfs/dbraw/zinc/41/73/48/568417348.db2.gz JKIYNVUARKZXSV-PZJWPPBQSA-N 1 2 359.473 4.541 20 0 FJADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCO[C@@H](c4cccs4)C3)o2)cc1C ZINC000247411989 568469519 /nfs/dbraw/zinc/46/95/19/568469519.db2.gz MQRFKSJXNMEGLZ-NVXWUHKLSA-N 1 2 369.490 4.549 20 0 FJADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCO[C@@H](c4cccs4)C3)o2)cc1C ZINC000247411989 568469520 /nfs/dbraw/zinc/46/95/20/568469520.db2.gz MQRFKSJXNMEGLZ-NVXWUHKLSA-N 1 2 369.490 4.549 20 0 FJADLO Clc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000605000527 568513957 /nfs/dbraw/zinc/51/39/57/568513957.db2.gz YJQOSDVVBBKVPG-SFHVURJKSA-N 1 2 368.868 4.902 20 0 FJADLO Clc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000605000527 568513958 /nfs/dbraw/zinc/51/39/58/568513958.db2.gz YJQOSDVVBBKVPG-SFHVURJKSA-N 1 2 368.868 4.902 20 0 FJADLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000605000784 568514398 /nfs/dbraw/zinc/51/43/98/568514398.db2.gz OYMFWOUGFDUVJR-UHFFFAOYSA-N 1 2 364.289 4.658 20 0 FJADLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000605000784 568514399 /nfs/dbraw/zinc/51/43/99/568514399.db2.gz OYMFWOUGFDUVJR-UHFFFAOYSA-N 1 2 364.289 4.658 20 0 FJADLO C[C@@H](c1nnc(S[C@H]2CCC[C@@H](C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000605075691 568554031 /nfs/dbraw/zinc/55/40/31/568554031.db2.gz CJCMXOBXKOCUNP-KEYYUXOJSA-N 1 2 362.518 4.700 20 0 FJADLO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082677 568557736 /nfs/dbraw/zinc/55/77/36/568557736.db2.gz LDKIBRRVZYWPRM-AWEZNQCLSA-N 1 2 373.378 4.724 20 0 FJADLO Cc1cc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)cc[nH+]1 ZINC000075987858 568564588 /nfs/dbraw/zinc/56/45/88/568564588.db2.gz YKZKWWREZCDOJE-UHFFFAOYSA-N 1 2 362.389 4.562 20 0 FJADLO CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000605087485 568567057 /nfs/dbraw/zinc/56/70/57/568567057.db2.gz RDAVLLWHPWWLMD-INIZCTEOSA-N 1 2 359.429 4.842 20 0 FJADLO CC(C)(NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)c(Cl)c1 ZINC000605088960 568567604 /nfs/dbraw/zinc/56/76/04/568567604.db2.gz NDMZWRFWPHWKHP-UHFFFAOYSA-N 1 2 374.271 4.844 20 0 FJADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1Cl ZINC000605114593 568572073 /nfs/dbraw/zinc/57/20/73/568572073.db2.gz UQNMGEOODFPONB-LBPRGKRZSA-N 1 2 360.244 4.670 20 0 FJADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154239 568598325 /nfs/dbraw/zinc/59/83/25/568598325.db2.gz MEVUHVZVIPJLAX-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154239 568598328 /nfs/dbraw/zinc/59/83/28/568598328.db2.gz MEVUHVZVIPJLAX-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155261 568600123 /nfs/dbraw/zinc/60/01/23/568600123.db2.gz MJWKKDTXKLMOBG-HXUWFJFHSA-N 1 2 368.546 4.847 20 0 FJADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155261 568600124 /nfs/dbraw/zinc/60/01/24/568600124.db2.gz MJWKKDTXKLMOBG-HXUWFJFHSA-N 1 2 368.546 4.847 20 0 FJADLO FC(F)n1c2ccccc2nc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605187943 568615280 /nfs/dbraw/zinc/61/52/80/568615280.db2.gz XJFWPHRWVNFMRL-KRWDZBQOSA-N 1 2 359.445 4.722 20 0 FJADLO FC(F)n1c2ccccc2nc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605187943 568615281 /nfs/dbraw/zinc/61/52/81/568615281.db2.gz XJFWPHRWVNFMRL-KRWDZBQOSA-N 1 2 359.445 4.722 20 0 FJADLO COc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040295817 205065908 /nfs/dbraw/zinc/06/59/08/205065908.db2.gz LLKYINOCMJOPAL-UHFFFAOYSA-N 1 2 363.461 4.731 20 0 FJADLO Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000042649437 205096708 /nfs/dbraw/zinc/09/67/08/205096708.db2.gz LLDPOEMWWDNPTB-UHFFFAOYSA-N 1 2 351.793 4.833 20 0 FJADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1cccc(Cl)c1Cl ZINC000052803166 205187585 /nfs/dbraw/zinc/18/75/85/205187585.db2.gz PMMKIFLTLPNAJO-CQSZACIVSA-N 1 2 355.290 4.831 20 0 FJADLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1cccc(Cl)c1Cl ZINC000052803166 205187589 /nfs/dbraw/zinc/18/75/89/205187589.db2.gz PMMKIFLTLPNAJO-CQSZACIVSA-N 1 2 355.290 4.831 20 0 FJADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000107817964 206024447 /nfs/dbraw/zinc/02/44/47/206024447.db2.gz ZARSOBOJRKZKJJ-HNNXBMFYSA-N 1 2 372.683 4.751 20 0 FJADLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000107817964 206024453 /nfs/dbraw/zinc/02/44/53/206024453.db2.gz ZARSOBOJRKZKJJ-HNNXBMFYSA-N 1 2 372.683 4.751 20 0 FJADLO C[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@H](c2ccccc2)O1 ZINC000109098477 206046957 /nfs/dbraw/zinc/04/69/57/206046957.db2.gz DSBUKQDSYRFVCU-OXQOHEQNSA-N 1 2 350.487 4.772 20 0 FJADLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@H](c2ccccc2)O1 ZINC000109098477 206046960 /nfs/dbraw/zinc/04/69/60/206046960.db2.gz DSBUKQDSYRFVCU-OXQOHEQNSA-N 1 2 350.487 4.772 20 0 FJADLO Cc1cc(N)nc(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)[nH+]1 ZINC000098078267 222226732 /nfs/dbraw/zinc/22/67/32/222226732.db2.gz GSZPWIVAADWIQZ-FQEVSTJZSA-N 1 2 374.469 4.565 20 0 FJADLO CC[N@H+](CCCNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000105268322 222366560 /nfs/dbraw/zinc/36/65/60/222366560.db2.gz XUXUJGYDBRLHDU-UHFFFAOYSA-N 1 2 363.505 4.523 20 0 FJADLO CC[N@@H+](CCCNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000105268322 222366563 /nfs/dbraw/zinc/36/65/63/222366563.db2.gz XUXUJGYDBRLHDU-UHFFFAOYSA-N 1 2 363.505 4.523 20 0 FJADLO CCc1ccsc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000108854167 222431880 /nfs/dbraw/zinc/43/18/80/222431880.db2.gz XWYHNKDNUZMFKD-UHFFFAOYSA-N 1 2 351.475 4.763 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cccn1Cc1ccccc1 ZINC000601731769 567820288 /nfs/dbraw/zinc/82/02/88/567820288.db2.gz CTLLNHAJFDOTTE-UHFFFAOYSA-N 1 2 369.424 4.976 20 0 FJADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)cs1 ZINC000531452379 567848246 /nfs/dbraw/zinc/84/82/46/567848246.db2.gz SCPNTXMDSKEJMZ-VIFPVBQESA-N 1 2 364.820 4.813 20 0 FJADLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)o1 ZINC000601864014 567866986 /nfs/dbraw/zinc/86/69/86/567866986.db2.gz RUDKIEOOHOSBBG-LIRRHRJNSA-N 1 2 363.417 4.912 20 0 FJADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000601942427 567881866 /nfs/dbraw/zinc/88/18/66/567881866.db2.gz RNWUEFRBFQDBBO-RYUDHWBXSA-N 1 2 358.825 4.680 20 0 FJADLO Clc1ccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051423281 567885357 /nfs/dbraw/zinc/88/53/57/567885357.db2.gz YFRYMZCNLQACMA-MRXNPFEDSA-N 1 2 356.882 4.591 20 0 FJADLO Clc1ccc([C@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051423281 567885358 /nfs/dbraw/zinc/88/53/58/567885358.db2.gz YFRYMZCNLQACMA-MRXNPFEDSA-N 1 2 356.882 4.591 20 0 FJADLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cnc(-c2ccsc2)s1 ZINC000602077670 567917735 /nfs/dbraw/zinc/91/77/35/567917735.db2.gz KJMZYLHRTDAKEL-UHFFFAOYSA-N 1 2 352.444 4.514 20 0 FJADLO C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H]2CCCC[C@@H]12 ZINC000602744597 568021686 /nfs/dbraw/zinc/02/16/86/568021686.db2.gz ZEOWZMHHHJASFW-TYCQWZJGSA-N 1 2 350.462 4.915 20 0 FJADLO O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602942059 568021907 /nfs/dbraw/zinc/02/19/07/568021907.db2.gz NAZQLYOSJYMTFX-UHFFFAOYSA-N 1 2 374.425 4.645 20 0 FJADLO CC1(C)C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1c1cccnc1 ZINC000644835532 568034045 /nfs/dbraw/zinc/03/40/45/568034045.db2.gz URPILTIAPILPES-FQEVSTJZSA-N 1 2 366.896 4.563 20 0 FJADLO CC1(C)C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1c1cccnc1 ZINC000644835532 568034046 /nfs/dbraw/zinc/03/40/46/568034046.db2.gz URPILTIAPILPES-FQEVSTJZSA-N 1 2 366.896 4.563 20 0 FJADLO CC[C@H](C)Oc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)ccc1OC ZINC000644835534 568034248 /nfs/dbraw/zinc/03/42/48/568034248.db2.gz VMVWEIZJJYKNTR-HRAATJIYSA-N 1 2 354.494 4.851 20 0 FJADLO CC[C@H](C)Oc1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)ccc1OC ZINC000644835534 568034250 /nfs/dbraw/zinc/03/42/50/568034250.db2.gz VMVWEIZJJYKNTR-HRAATJIYSA-N 1 2 354.494 4.851 20 0 FJADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccccc1CCSC ZINC000603081723 568058750 /nfs/dbraw/zinc/05/87/50/568058750.db2.gz RSJHUTNRIWLOCF-SFHVURJKSA-N 1 2 372.538 4.568 20 0 FJADLO CCc1cc(N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)nc[nH+]1 ZINC000603380322 568093960 /nfs/dbraw/zinc/09/39/60/568093960.db2.gz BIUPDFCZVFYDLT-FQEVSTJZSA-N 1 2 351.425 4.583 20 0 FJADLO CCc1cc(N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)nc[nH+]1 ZINC000603393238 568095169 /nfs/dbraw/zinc/09/51/69/568095169.db2.gz AEHQFGFGVHDKEV-OAHLLOKOSA-N 1 2 354.454 4.791 20 0 FJADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)o1 ZINC000603511435 568110610 /nfs/dbraw/zinc/11/06/10/568110610.db2.gz KPUFHKOPIMRJRW-RDTXWAMCSA-N 1 2 354.475 4.728 20 0 FJADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)o1 ZINC000603511434 568110619 /nfs/dbraw/zinc/11/06/19/568110619.db2.gz KPUFHKOPIMRJRW-KSSFIOAISA-N 1 2 354.475 4.728 20 0 FJADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)o1 ZINC000603511432 568110623 /nfs/dbraw/zinc/11/06/23/568110623.db2.gz KPUFHKOPIMRJRW-KBXCAEBGSA-N 1 2 354.475 4.728 20 0 FJADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000603855741 568168079 /nfs/dbraw/zinc/16/80/79/568168079.db2.gz LTORJIXQVVHHQE-HNNXBMFYSA-N 1 2 354.233 4.710 20 0 FJADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000603855741 568168080 /nfs/dbraw/zinc/16/80/80/568168080.db2.gz LTORJIXQVVHHQE-HNNXBMFYSA-N 1 2 354.233 4.710 20 0 FJADLO Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1Oc1cc[nH+]cc1 ZINC000604213097 568226653 /nfs/dbraw/zinc/22/66/53/568226653.db2.gz UMHPQXKRPYZARE-AWEZNQCLSA-N 1 2 368.383 4.952 20 0 FJADLO CCn1c(NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)nc2ccccc21 ZINC000604214193 568226917 /nfs/dbraw/zinc/22/69/17/568226917.db2.gz MZYKQJGCURCXCX-UHFFFAOYSA-N 1 2 372.428 4.804 20 0 FJADLO Cc1ccc(C(=O)Nc2cccc3c2ccn3C)cc1Oc1cc[nH+]cc1 ZINC000604228894 568229090 /nfs/dbraw/zinc/22/90/90/568229090.db2.gz AHSIFFBESPYOCN-UHFFFAOYSA-N 1 2 357.413 4.926 20 0 FJADLO Cc1ccc(CN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C2CC2)o1 ZINC000604221458 568230808 /nfs/dbraw/zinc/23/08/08/568230808.db2.gz XPWANBQDUSFNRG-UHFFFAOYSA-N 1 2 362.429 4.889 20 0 FJADLO Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1Oc1cc[nH+]cc1 ZINC000604232865 568231056 /nfs/dbraw/zinc/23/10/56/568231056.db2.gz RMXWWYOWVPKLFR-OAQYLSRUSA-N 1 2 372.468 4.812 20 0 FJADLO Cc1ccc(C(=O)NCCCc2cccc(F)c2)cc1Oc1cc[nH+]cc1 ZINC000604231476 568233632 /nfs/dbraw/zinc/23/36/32/568233632.db2.gz VMIVMUAUZDVURH-UHFFFAOYSA-N 1 2 364.420 4.684 20 0 FJADLO O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000604278294 568240160 /nfs/dbraw/zinc/24/01/60/568240160.db2.gz GXKDZKMUWQORPQ-IBGZPJMESA-N 1 2 371.484 4.945 20 0 FJADLO Cc1ccc(NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)c2n[nH]cc21 ZINC000604320969 568246901 /nfs/dbraw/zinc/24/69/01/568246901.db2.gz PYUUJVMLDDIGPB-UHFFFAOYSA-N 1 2 358.401 4.619 20 0 FJADLO Cc1cccc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000007688168 568251918 /nfs/dbraw/zinc/25/19/18/568251918.db2.gz YKINTQRTIQWTDF-UHFFFAOYSA-N 1 2 356.516 4.759 20 0 FJADLO Fc1ccccc1C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000016395573 568256184 /nfs/dbraw/zinc/25/61/84/568256184.db2.gz WMXGSWPCLYIUQN-UHFFFAOYSA-N 1 2 357.816 4.694 20 0 FJADLO Fc1ccccc1C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000016395573 568256185 /nfs/dbraw/zinc/25/61/85/568256185.db2.gz WMXGSWPCLYIUQN-UHFFFAOYSA-N 1 2 357.816 4.694 20 0 FJADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000303357822 568267880 /nfs/dbraw/zinc/26/78/80/568267880.db2.gz ZYYCWWFYXOZPEZ-APWZRJJASA-N 1 2 373.566 4.656 20 0 FJADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000303357822 568267881 /nfs/dbraw/zinc/26/78/81/568267881.db2.gz ZYYCWWFYXOZPEZ-APWZRJJASA-N 1 2 373.566 4.656 20 0 FJADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000303357823 568267883 /nfs/dbraw/zinc/26/78/83/568267883.db2.gz ZYYCWWFYXOZPEZ-LPHOPBHVSA-N 1 2 373.566 4.656 20 0 FJADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000303357823 568267884 /nfs/dbraw/zinc/26/78/84/568267884.db2.gz ZYYCWWFYXOZPEZ-LPHOPBHVSA-N 1 2 373.566 4.656 20 0 FJADLO CCc1cc(NCc2ccc3cc(OC)ccc3c2)nc(-c2ccncc2)[nH+]1 ZINC000303391824 568274103 /nfs/dbraw/zinc/27/41/03/568274103.db2.gz NKNKTBPHFGVJKT-UHFFFAOYSA-N 1 2 370.456 4.875 20 0 FJADLO CC(C)c1ccc([C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)c2cccs2)cc1 ZINC000564571299 568278480 /nfs/dbraw/zinc/27/84/80/568278480.db2.gz FANGXCBFASQDMZ-KKSFZXQISA-N 1 2 367.518 4.925 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000604424212 568282386 /nfs/dbraw/zinc/28/23/86/568282386.db2.gz LPLHLOGKZFXDTQ-UHFFFAOYSA-N 1 2 361.232 4.501 20 0 FJADLO Clc1ccc(-c2noc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)n2)cc1 ZINC000604394562 568284587 /nfs/dbraw/zinc/28/45/87/568284587.db2.gz ODWYVMNAHKVEMO-QGZVFWFLSA-N 1 2 371.893 4.680 20 0 FJADLO Clc1ccc(-c2noc(C[N@H+]3CCSC[C@@H]3c3ccccc3)n2)cc1 ZINC000604394562 568284588 /nfs/dbraw/zinc/28/45/88/568284588.db2.gz ODWYVMNAHKVEMO-QGZVFWFLSA-N 1 2 371.893 4.680 20 0 FJADLO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000525797390 568289617 /nfs/dbraw/zinc/28/96/17/568289617.db2.gz YVZKRSNNNUAVAT-VXKWHMMOSA-N 1 2 359.473 4.671 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000604395364 568294851 /nfs/dbraw/zinc/29/48/51/568294851.db2.gz PXEHKHXCHFDDNE-FQEVSTJZSA-N 1 2 354.519 4.539 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000604395364 568294853 /nfs/dbraw/zinc/29/48/53/568294853.db2.gz PXEHKHXCHFDDNE-FQEVSTJZSA-N 1 2 354.519 4.539 20 0 FJADLO O=C(CSCc1ccc(F)cc1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000604518061 568307551 /nfs/dbraw/zinc/30/75/51/568307551.db2.gz YASYWWHDKZCINN-UHFFFAOYSA-N 1 2 368.433 4.885 20 0 FJADLO CC(C)CC[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000604576194 568315789 /nfs/dbraw/zinc/31/57/89/568315789.db2.gz TYJQDVSKSPVBHU-RTBURBONSA-N 1 2 370.541 4.660 20 0 FJADLO Cc1cc(N2CCC(Oc3ccc(C(C)C)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000604756977 568365084 /nfs/dbraw/zinc/36/50/84/568365084.db2.gz ONQFLMPYHXGSAP-UHFFFAOYSA-N 1 2 351.494 4.834 20 0 FJADLO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1nnc2n1CCCCC2 ZINC000319726897 568368276 /nfs/dbraw/zinc/36/82/76/568368276.db2.gz QJELBHFRVBUYCK-VXGBXAGGSA-N 1 2 353.297 4.723 20 0 FJADLO COc1cccc(C[N@H+](C)Cc2csc(COc3ccc(F)cc3)n2)c1 ZINC000052658576 568376847 /nfs/dbraw/zinc/37/68/47/568376847.db2.gz BXSYSHBUZRUXBT-UHFFFAOYSA-N 1 2 372.465 4.502 20 0 FJADLO COc1cccc(C[N@@H+](C)Cc2csc(COc3ccc(F)cc3)n2)c1 ZINC000052658576 568376848 /nfs/dbraw/zinc/37/68/48/568376848.db2.gz BXSYSHBUZRUXBT-UHFFFAOYSA-N 1 2 372.465 4.502 20 0 FJADLO CCC[N@H+](Cc1ccn(C(C)C)n1)Cc1ccccc1Br ZINC000604884910 568384655 /nfs/dbraw/zinc/38/46/55/568384655.db2.gz QYGLUHCYNHKOKP-UHFFFAOYSA-N 1 2 350.304 4.639 20 0 FJADLO CCC[N@@H+](Cc1ccn(C(C)C)n1)Cc1ccccc1Br ZINC000604884910 568384656 /nfs/dbraw/zinc/38/46/56/568384656.db2.gz QYGLUHCYNHKOKP-UHFFFAOYSA-N 1 2 350.304 4.639 20 0 FJADLO CC1(C)CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]1c1ccccc1 ZINC000644853765 568416249 /nfs/dbraw/zinc/41/62/49/568416249.db2.gz JKIYNVUARKZXSV-FPOVZHCZSA-N 1 2 359.473 4.541 20 0 FJADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC1CCCCC1)C1CC1 ZINC000644853926 568441058 /nfs/dbraw/zinc/44/10/58/568441058.db2.gz JWZQBLXBMUIJFQ-HXUWFJFHSA-N 1 2 351.494 4.503 20 0 FJADLO Clc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000605000526 568514013 /nfs/dbraw/zinc/51/40/13/568514013.db2.gz YJQOSDVVBBKVPG-GOSISDBHSA-N 1 2 368.868 4.902 20 0 FJADLO Clc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000605000526 568514014 /nfs/dbraw/zinc/51/40/14/568514014.db2.gz YJQOSDVVBBKVPG-GOSISDBHSA-N 1 2 368.868 4.902 20 0 FJADLO C[C@@H](c1nnc(S[C@@H]2CCC[C@@H](C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000605075690 568554050 /nfs/dbraw/zinc/55/40/50/568554050.db2.gz CJCMXOBXKOCUNP-JKIFEVAISA-N 1 2 362.518 4.700 20 0 FJADLO O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605094500 568562824 /nfs/dbraw/zinc/56/28/24/568562824.db2.gz BNCCZQYSMDKBBW-HXUWFJFHSA-N 1 2 373.481 4.648 20 0 FJADLO CC(C)Cn1ccc2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc21 ZINC000605088414 568567396 /nfs/dbraw/zinc/56/73/96/568567396.db2.gz YOEVULPEWOZUNG-UHFFFAOYSA-N 1 2 358.445 4.735 20 0 FJADLO CO[C@@H]1CCC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643292196 568596130 /nfs/dbraw/zinc/59/61/30/568596130.db2.gz JMNHYNFCQMGSEL-OAQYLSRUSA-N 1 2 353.510 4.666 20 0 FJADLO CO[C@@H]1CCC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643292196 568596132 /nfs/dbraw/zinc/59/61/32/568596132.db2.gz JMNHYNFCQMGSEL-OAQYLSRUSA-N 1 2 353.510 4.666 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156057 568601582 /nfs/dbraw/zinc/60/15/82/568601582.db2.gz IREKBRFTUCWZNX-FQEVSTJZSA-N 1 2 354.519 4.539 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156057 568601585 /nfs/dbraw/zinc/60/15/85/568601585.db2.gz IREKBRFTUCWZNX-FQEVSTJZSA-N 1 2 354.519 4.539 20 0 FJADLO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)c1cc(F)ccc1F ZINC000108455480 206032378 /nfs/dbraw/zinc/03/23/78/206032378.db2.gz QKPWPLXVTFTYOE-LBPRGKRZSA-N 1 2 368.412 4.947 20 0 FJADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000109891946 206066667 /nfs/dbraw/zinc/06/66/67/206066667.db2.gz FVMUQJGBNUMVSY-UHFFFAOYSA-N 1 2 374.366 4.805 20 0 FJADLO Cc1[nH]c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2[nH+]1 ZINC000010657019 206281759 /nfs/dbraw/zinc/28/17/59/206281759.db2.gz WILZFJWSUPCGGL-UHFFFAOYSA-N 1 2 364.630 4.540 20 0 FJADLO Cc1[nH]c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2[nH+]1 ZINC000010657019 206281763 /nfs/dbraw/zinc/28/17/63/206281763.db2.gz WILZFJWSUPCGGL-UHFFFAOYSA-N 1 2 364.630 4.540 20 0 FJADLO CCCc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000072032571 221398436 /nfs/dbraw/zinc/39/84/36/221398436.db2.gz NTTVPIZMFOWQLH-UHFFFAOYSA-N 1 2 357.523 4.580 20 0 FJADLO CCCCC1CCC(C(=O)NCc2ccc[nH+]c2N2CCCCC2)CC1 ZINC000109210256 132244783 /nfs/dbraw/zinc/24/47/83/132244783.db2.gz ISFMYMBWOBUZPN-UHFFFAOYSA-N 1 2 357.542 4.685 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000601858158 567853692 /nfs/dbraw/zinc/85/36/92/567853692.db2.gz NBSQJHLUIPOHPQ-GIOYIUAESA-N 1 2 363.461 4.916 20 0 FJADLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000601833812 567854848 /nfs/dbraw/zinc/85/48/48/567854848.db2.gz IAZARPZEHJMTBL-QGZVFWFLSA-N 1 2 361.283 4.580 20 0 FJADLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(Br)cn1 ZINC000601833812 567854849 /nfs/dbraw/zinc/85/48/49/567854849.db2.gz IAZARPZEHJMTBL-QGZVFWFLSA-N 1 2 361.283 4.580 20 0 FJADLO C[C@@H]([NH2+]Cc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl ZINC000186178679 567890077 /nfs/dbraw/zinc/89/00/77/567890077.db2.gz IBQMAKXFULBHGL-SECBINFHSA-N 1 2 354.262 4.956 20 0 FJADLO CCCCOc1ccc(-c2nnc(C[N@H+](C)Cc3ccsc3)o2)cc1 ZINC000051455388 567961760 /nfs/dbraw/zinc/96/17/60/567961760.db2.gz HUPOZVUEEHZWPT-UHFFFAOYSA-N 1 2 357.479 4.609 20 0 FJADLO CCCCOc1ccc(-c2nnc(C[N@@H+](C)Cc3ccsc3)o2)cc1 ZINC000051455388 567961761 /nfs/dbraw/zinc/96/17/61/567961761.db2.gz HUPOZVUEEHZWPT-UHFFFAOYSA-N 1 2 357.479 4.609 20 0 FJADLO Cc1c[nH+]ccc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461105520 567969759 /nfs/dbraw/zinc/96/97/59/567969759.db2.gz DCRPODUZSMDGAY-UHFFFAOYSA-N 1 2 362.395 4.671 20 0 FJADLO Cc1nnc([C@@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c2ccccc2)[nH]1 ZINC000162662278 568002929 /nfs/dbraw/zinc/00/29/29/568002929.db2.gz PQBCJWXTJSRNBK-ZHRRBRCNSA-N 1 2 369.472 4.615 20 0 FJADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000521426258 568012507 /nfs/dbraw/zinc/01/25/07/568012507.db2.gz NFQLWQSOFPGHAG-DLBZAZTESA-N 1 2 366.505 4.594 20 0 FJADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000521426258 568012509 /nfs/dbraw/zinc/01/25/09/568012509.db2.gz NFQLWQSOFPGHAG-DLBZAZTESA-N 1 2 366.505 4.594 20 0 FJADLO C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H]2CCCC[C@H]12 ZINC000602744595 568021649 /nfs/dbraw/zinc/02/16/49/568021649.db2.gz ZEOWZMHHHJASFW-HBGVWJBISA-N 1 2 350.462 4.915 20 0 FJADLO O=C(NC1(c2ccccc2)CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000603695971 568137446 /nfs/dbraw/zinc/13/74/46/568137446.db2.gz QEYVXBLASUVVLS-UHFFFAOYSA-N 1 2 359.473 4.521 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000603784822 568139377 /nfs/dbraw/zinc/13/93/77/568139377.db2.gz AEUVNJMZEXLCCA-HXUWFJFHSA-N 1 2 359.454 4.806 20 0 FJADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785729 568139841 /nfs/dbraw/zinc/13/98/41/568139841.db2.gz XUUGOVPGMBBYDW-UHFFFAOYSA-N 1 2 368.849 4.672 20 0 FJADLO C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1nc(-c2ccccc2)cs1 ZINC000603723962 568142405 /nfs/dbraw/zinc/14/24/05/568142405.db2.gz QQIJAFNXPIYWPB-GFCCVEGCSA-N 1 2 374.307 4.818 20 0 FJADLO O=C(CNc1cccc(Cl)c1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000603875079 568174879 /nfs/dbraw/zinc/17/48/79/568174879.db2.gz DMCAGOGYZIASAE-UHFFFAOYSA-N 1 2 353.809 4.578 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000603884079 568176723 /nfs/dbraw/zinc/17/67/23/568176723.db2.gz NUFIIZKTEPCMIR-UHFFFAOYSA-N 1 2 365.339 4.657 20 0 FJADLO O=C(Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1)[C@H]1CCC(F)(F)C1 ZINC000644842684 568182876 /nfs/dbraw/zinc/18/28/76/568182876.db2.gz GPFGPZUCHKZLMW-AWEZNQCLSA-N 1 2 355.388 4.528 20 0 FJADLO Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Oc1cc[nH+]cc1 ZINC000604210330 568226065 /nfs/dbraw/zinc/22/60/65/568226065.db2.gz BEBAQTPUDAYKFE-UHFFFAOYSA-N 1 2 362.473 4.881 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1Oc1cc[nH+]cc1 ZINC000604212180 568226445 /nfs/dbraw/zinc/22/64/45/568226445.db2.gz DNWWNOOINKVKHG-MRXNPFEDSA-N 1 2 350.418 4.526 20 0 FJADLO Cc1ccc(C(=O)NCCSc2ccccc2)cc1Oc1cc[nH+]cc1 ZINC000604213363 568226683 /nfs/dbraw/zinc/22/66/83/568226683.db2.gz SQMSXCGCMJWRQO-UHFFFAOYSA-N 1 2 364.470 4.704 20 0 FJADLO CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000604215557 568227145 /nfs/dbraw/zinc/22/71/45/568227145.db2.gz NZKCVUVCJVTGTN-HXUWFJFHSA-N 1 2 357.542 4.541 20 0 FJADLO Cc1ccc(C(=O)Nc2ccc(OC(C)C)nc2)cc1Oc1cc[nH+]cc1 ZINC000604223425 568228723 /nfs/dbraw/zinc/22/87/23/568228723.db2.gz OCQOCOQTFPTAIJ-UHFFFAOYSA-N 1 2 363.417 4.617 20 0 FJADLO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604299910 568245133 /nfs/dbraw/zinc/24/51/33/568245133.db2.gz ABLDZMMDLYXUDG-UHFFFAOYSA-N 1 2 365.820 4.510 20 0 FJADLO C[C@@H]1C[C@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000303197953 568259747 /nfs/dbraw/zinc/25/97/47/568259747.db2.gz YMHAKJYELVMETA-QZTJIDSGSA-N 1 2 369.509 4.753 20 0 FJADLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(C2CCCCC2)cc1 ZINC000303278602 568263819 /nfs/dbraw/zinc/26/38/19/568263819.db2.gz TXBAKWIUEGOFDG-UHFFFAOYSA-N 1 2 351.494 4.751 20 0 FJADLO CCc1cc(NCCCCOc2ccc(F)cc2)nc(-c2ccncc2)[nH+]1 ZINC000303333262 568266427 /nfs/dbraw/zinc/26/64/27/568266427.db2.gz BWDWKRWHSHQVIY-UHFFFAOYSA-N 1 2 366.440 4.511 20 0 FJADLO Cc1ccc(Cc2nc(-c3ccc(COc4ccccc4)cc3)no2)c[nH+]1 ZINC000303332721 568266429 /nfs/dbraw/zinc/26/64/29/568266429.db2.gz CYJNQJJWHDPMED-UHFFFAOYSA-N 1 2 357.413 4.610 20 0 FJADLO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000525797388 568289688 /nfs/dbraw/zinc/28/96/88/568289688.db2.gz YVZKRSNNNUAVAT-FCHUYYIVSA-N 1 2 359.473 4.671 20 0 FJADLO CCOC(=O)c1nc(C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)cs1 ZINC000071952777 568331314 /nfs/dbraw/zinc/33/13/14/568331314.db2.gz ZKYLNLNCOBBUDQ-UHFFFAOYSA-N 1 2 358.507 4.608 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)cs1 ZINC000071952777 568331315 /nfs/dbraw/zinc/33/13/15/568331315.db2.gz ZKYLNLNCOBBUDQ-UHFFFAOYSA-N 1 2 358.507 4.608 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCCC[C@@H]1c1ccccc1 ZINC000604670242 568344872 /nfs/dbraw/zinc/34/48/72/568344872.db2.gz CTZSHEIGNNXTGZ-JOCHJYFZSA-N 1 2 374.488 4.699 20 0 FJADLO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761247 568361164 /nfs/dbraw/zinc/36/11/64/568361164.db2.gz VWUITPMCZLKELP-GXTWGEPZSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761247 568361165 /nfs/dbraw/zinc/36/11/65/568361165.db2.gz VWUITPMCZLKELP-GXTWGEPZSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000604761746 568361400 /nfs/dbraw/zinc/36/14/00/568361400.db2.gz VSQWXULEMCLRJC-OAQYLSRUSA-N 1 2 368.546 4.847 20 0 FJADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000604761746 568361401 /nfs/dbraw/zinc/36/14/01/568361401.db2.gz VSQWXULEMCLRJC-OAQYLSRUSA-N 1 2 368.546 4.847 20 0 FJADLO Cc1cccn2cc(CN3CCSC[C@@H]3c3ccc(Cl)cc3)[nH+]c12 ZINC000604761749 568361408 /nfs/dbraw/zinc/36/14/08/568361408.db2.gz VYXXVCCTPXCNLJ-GOSISDBHSA-N 1 2 357.910 4.586 20 0 FJADLO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000604768228 568362543 /nfs/dbraw/zinc/36/25/43/568362543.db2.gz PEEIEMDHNLSGRE-NRFANRHFSA-N 1 2 368.427 4.556 20 0 FJADLO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1nnc2n1CCCCC2 ZINC000319726896 568368314 /nfs/dbraw/zinc/36/83/14/568368314.db2.gz QJELBHFRVBUYCK-RYUDHWBXSA-N 1 2 353.297 4.723 20 0 FJADLO CC[C@@H](C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000604861333 568379297 /nfs/dbraw/zinc/37/92/97/568379297.db2.gz XMWVBZYSHUTFLV-XMSQKQJNSA-N 1 2 365.521 4.518 20 0 FJADLO CC[C@H](C)[C@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1ccccc1 ZINC000604867483 568380467 /nfs/dbraw/zinc/38/04/67/568380467.db2.gz IOQGRHYYFOHFDD-BEVDRBHNSA-N 1 2 374.475 4.514 20 0 FJADLO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000604886903 568381168 /nfs/dbraw/zinc/38/11/68/568381168.db2.gz KOMLWAXWBMGKNG-INIZCTEOSA-N 1 2 372.896 4.519 20 0 FJADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000005627954 568391643 /nfs/dbraw/zinc/39/16/43/568391643.db2.gz QCFXVMPETQJURK-NSHDSACASA-N 1 2 362.260 4.529 20 0 FJADLO Cc1cc(Cl)cc2nc(SCc3[nH+]ccn3CC(F)(F)F)oc21 ZINC000604933758 568398692 /nfs/dbraw/zinc/39/86/92/568398692.db2.gz NGGIGJJEJWKTNW-UHFFFAOYSA-N 1 2 361.776 4.841 20 0 FJADLO Cc1cc(CNC(=O)Nc2ccccc2SCC(F)(F)F)cc(C)[nH+]1 ZINC000643258162 568417775 /nfs/dbraw/zinc/41/77/75/568417775.db2.gz YKYDXRSQCSOJBG-UHFFFAOYSA-N 1 2 369.412 4.675 20 0 FJADLO Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1F ZINC000604977536 568499053 /nfs/dbraw/zinc/49/90/53/568499053.db2.gz BBSMVSJMRQPTIW-UHFFFAOYSA-N 1 2 363.367 4.840 20 0 FJADLO CC[N@H+](Cc1nnc2n1CCCCC2)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000604998562 568512096 /nfs/dbraw/zinc/51/20/96/568512096.db2.gz CHRVWILJOKPJGM-CQSZACIVSA-N 1 2 366.431 4.606 20 0 FJADLO CC[N@@H+](Cc1nnc2n1CCCCC2)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000604998562 568512098 /nfs/dbraw/zinc/51/20/98/568512098.db2.gz CHRVWILJOKPJGM-CQSZACIVSA-N 1 2 366.431 4.606 20 0 FJADLO CCCc1cccc(C(C)C)c1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365341985 568534481 /nfs/dbraw/zinc/53/44/81/568534481.db2.gz HAOXIPLGZKZWSU-UHFFFAOYSA-N 1 2 368.525 4.959 20 0 FJADLO C[C@H]1CCC[C@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000605075906 568554151 /nfs/dbraw/zinc/55/41/51/568554151.db2.gz VLVITWKQMOIOGG-HKUYNNGSSA-N 1 2 370.566 4.593 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC2CCCCC2)cc1 ZINC000605081738 568557111 /nfs/dbraw/zinc/55/71/11/568557111.db2.gz OBDSYUSPCDZCAF-UHFFFAOYSA-N 1 2 361.445 4.836 20 0 FJADLO CCCCc1nc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)cs1 ZINC000605152073 568580651 /nfs/dbraw/zinc/58/06/51/568580651.db2.gz MOVDSZFXURPRKS-QGZVFWFLSA-N 1 2 372.456 4.502 20 0 FJADLO Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000605144576 568583768 /nfs/dbraw/zinc/58/37/68/568583768.db2.gz QGYOKPDIOIULSN-QHCPKHFHSA-N 1 2 373.500 4.997 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153846 568597590 /nfs/dbraw/zinc/59/75/90/568597590.db2.gz CQLWBVICYQRJTG-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153846 568597592 /nfs/dbraw/zinc/59/75/92/568597592.db2.gz CQLWBVICYQRJTG-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153844 568597744 /nfs/dbraw/zinc/59/77/44/568597744.db2.gz CQLWBVICYQRJTG-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153844 568597745 /nfs/dbraw/zinc/59/77/45/568597745.db2.gz CQLWBVICYQRJTG-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155065 568599641 /nfs/dbraw/zinc/59/96/41/568599641.db2.gz IGPKGOPPJFPDRW-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155065 568599643 /nfs/dbraw/zinc/59/96/43/568599643.db2.gz IGPKGOPPJFPDRW-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605155542 568600669 /nfs/dbraw/zinc/60/06/69/568600669.db2.gz UMXKGGMNVPSYPQ-GOSISDBHSA-N 1 2 374.937 4.685 20 0 FJADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605155542 568600670 /nfs/dbraw/zinc/60/06/70/568600670.db2.gz UMXKGGMNVPSYPQ-GOSISDBHSA-N 1 2 374.937 4.685 20 0 FJADLO O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111739590 568710220 /nfs/dbraw/zinc/71/02/20/568710220.db2.gz SEQSERGUQLUVTB-UHFFFAOYSA-N 1 2 362.433 4.544 20 0 FJADLO CC(C)n1ccnc1C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000359993310 210203731 /nfs/dbraw/zinc/20/37/31/210203731.db2.gz KKXHCCYHBSGKRD-FZKQIMNGSA-N 1 2 368.308 4.638 20 0 FJADLO Cc1nc2ccc(C(=O)Nc3ccc(Oc4cc[nH+]cc4)cc3)cc2nc1C ZINC000050489239 205177628 /nfs/dbraw/zinc/17/76/28/205177628.db2.gz APQNXXATPAEAMT-UHFFFAOYSA-N 1 2 370.412 4.686 20 0 FJADLO O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2[nH+]ccn2c1 ZINC000057777926 205243834 /nfs/dbraw/zinc/24/38/34/205243834.db2.gz JAIAMAJBPGTWEZ-UHFFFAOYSA-N 1 2 370.437 4.863 20 0 FJADLO Brc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)cc1 ZINC000108089180 206027842 /nfs/dbraw/zinc/02/78/42/206027842.db2.gz SHMOQXXTFJRYIX-INIZCTEOSA-N 1 2 357.251 4.927 20 0 FJADLO Brc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)cc1 ZINC000108089180 206027846 /nfs/dbraw/zinc/02/78/46/206027846.db2.gz SHMOQXXTFJRYIX-INIZCTEOSA-N 1 2 357.251 4.927 20 0 FJADLO O=C(Cc1cccc2ccccc21)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000109683992 206061196 /nfs/dbraw/zinc/06/11/96/206061196.db2.gz ULBPCCKBRWLKEK-UHFFFAOYSA-N 1 2 361.832 4.860 20 0 FJADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c2ccccc2n1 ZINC000109685683 206061465 /nfs/dbraw/zinc/06/14/65/206061465.db2.gz HRJFOJDKGVUAAQ-UHFFFAOYSA-N 1 2 362.820 4.635 20 0 FJADLO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)c1c(F)cccc1F ZINC000071958641 221390204 /nfs/dbraw/zinc/39/02/04/221390204.db2.gz PCBFSJQNBSQNDK-LBPRGKRZSA-N 1 2 368.412 4.947 20 0 FJADLO Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000097213698 222168272 /nfs/dbraw/zinc/16/82/72/222168272.db2.gz ZNIJUXONGXKUIL-LBPRGKRZSA-N 1 2 353.249 4.720 20 0 FJADLO C[C@@H](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)c1ccccc1 ZINC000602170770 567947400 /nfs/dbraw/zinc/94/74/00/567947400.db2.gz DCIUAYVLKQYBOA-INIZCTEOSA-N 1 2 360.413 4.722 20 0 FJADLO CC(C)n1cc([C@@H](C)NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cn1 ZINC000602379301 567971249 /nfs/dbraw/zinc/97/12/49/567971249.db2.gz ZVYYGCNLOPJQKD-OAHLLOKOSA-N 1 2 365.437 4.534 20 0 FJADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cc(Cl)ccc1Cl ZINC000186753527 567979777 /nfs/dbraw/zinc/97/97/77/567979777.db2.gz ZGISRJRLXGLNHZ-LBPRGKRZSA-N 1 2 361.276 4.640 20 0 FJADLO Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602877225 568010444 /nfs/dbraw/zinc/01/04/44/568010444.db2.gz KPFWRXUULAMZTB-SFHVURJKSA-N 1 2 355.482 4.560 20 0 FJADLO Cc1cccc(C)c1OCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602877225 568010446 /nfs/dbraw/zinc/01/04/46/568010446.db2.gz KPFWRXUULAMZTB-SFHVURJKSA-N 1 2 355.482 4.560 20 0 FJADLO Cc1ccc(CCCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)c(C)c1 ZINC000602742043 568021101 /nfs/dbraw/zinc/02/11/01/568021101.db2.gz YBWDOQBJLZYHOW-UHFFFAOYSA-N 1 2 360.457 4.853 20 0 FJADLO C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H]2CCCC[C@@H]12 ZINC000602744594 568021652 /nfs/dbraw/zinc/02/16/52/568021652.db2.gz ZEOWZMHHHJASFW-CZAAIQMYSA-N 1 2 350.462 4.915 20 0 FJADLO O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000602942140 568021932 /nfs/dbraw/zinc/02/19/32/568021932.db2.gz WWPGENLMUXMNLJ-OAQYLSRUSA-N 1 2 360.413 4.557 20 0 FJADLO Cc1ccc(C[S@](=O)Cc2ccc(Br)c(Cl)c2)c(C)[nH+]1 ZINC000188802374 568026389 /nfs/dbraw/zinc/02/63/89/568026389.db2.gz XBGBZCQDTPTISI-HXUWFJFHSA-N 1 2 372.715 4.563 20 0 FJADLO O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCCc2sccc2C1 ZINC000602762873 568033485 /nfs/dbraw/zinc/03/34/85/568033485.db2.gz KQDDCPJRRGJRET-UHFFFAOYSA-N 1 2 350.443 4.524 20 0 FJADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccccc1CCSC ZINC000603081712 568058740 /nfs/dbraw/zinc/05/87/40/568058740.db2.gz RSJHUTNRIWLOCF-GOSISDBHSA-N 1 2 372.538 4.568 20 0 FJADLO COc1ccc([C@@H]([NH2+]Cc2csc(C3CC3)n2)c2ccccc2)cc1 ZINC000603509948 568110363 /nfs/dbraw/zinc/11/03/63/568110363.db2.gz NCEOFAJVSIIRPL-FQEVSTJZSA-N 1 2 350.487 4.908 20 0 FJADLO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808960 568142987 /nfs/dbraw/zinc/14/29/87/568142987.db2.gz SEWAJFMHVWLVHT-UHFFFAOYSA-N 1 2 362.458 4.635 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CSc2ccccc21 ZINC000522782416 568145109 /nfs/dbraw/zinc/14/51/09/568145109.db2.gz XISSAIGZZFTNQF-GOSISDBHSA-N 1 2 363.442 4.842 20 0 FJADLO O=C(NC[C@H]1Cc2ccccc21)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603858804 568169394 /nfs/dbraw/zinc/16/93/94/568169394.db2.gz BTTWACITDQVYFY-MRXNPFEDSA-N 1 2 364.832 4.597 20 0 FJADLO COC(=O)c1occc1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603860010 568170373 /nfs/dbraw/zinc/17/03/73/568170373.db2.gz JERCPLFGFGRBFN-UHFFFAOYSA-N 1 2 354.233 4.538 20 0 FJADLO COC(=O)c1occc1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603860010 568170374 /nfs/dbraw/zinc/17/03/74/568170374.db2.gz JERCPLFGFGRBFN-UHFFFAOYSA-N 1 2 354.233 4.538 20 0 FJADLO Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3[nH+]ccn3c2)cc1C ZINC000603881699 568176420 /nfs/dbraw/zinc/17/64/20/568176420.db2.gz GEWIMZXIWOQBDD-UHFFFAOYSA-N 1 2 374.469 4.750 20 0 FJADLO Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1Oc1cc[nH+]cc1 ZINC000604212179 568226385 /nfs/dbraw/zinc/22/63/85/568226385.db2.gz DNWWNOOINKVKHG-INIZCTEOSA-N 1 2 350.418 4.526 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)Cc2cccs2)cc1Oc1cc[nH+]cc1 ZINC000604218367 568230132 /nfs/dbraw/zinc/23/01/32/568230132.db2.gz AOGKKFKYFRFIOS-OAHLLOKOSA-N 1 2 352.459 4.605 20 0 FJADLO Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1Oc1cc[nH+]cc1 ZINC000604218518 568230209 /nfs/dbraw/zinc/23/02/09/568230209.db2.gz OSSMYLNUGDSAAQ-UHFFFAOYSA-N 1 2 362.404 4.914 20 0 FJADLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000604234853 568232069 /nfs/dbraw/zinc/23/20/69/568232069.db2.gz DOQJNVUIMDZUDI-LJQANCHMSA-N 1 2 353.853 4.653 20 0 FJADLO Cc1c(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)oc2ccccc12 ZINC000604235495 568232314 /nfs/dbraw/zinc/23/23/14/568232314.db2.gz KHAMJFVJEQFVKS-UHFFFAOYSA-N 1 2 358.397 4.859 20 0 FJADLO CC1(C)CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C(C)(C)CO1 ZINC000604237275 568232698 /nfs/dbraw/zinc/23/26/98/568232698.db2.gz KXZVHFLIMAABOX-UHFFFAOYSA-N 1 2 374.868 4.557 20 0 FJADLO O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000604281332 568240684 /nfs/dbraw/zinc/24/06/84/568240684.db2.gz MGUJJBXDFFXHTI-OAHLLOKOSA-N 1 2 351.837 4.584 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)cs1 ZINC000525795258 568245427 /nfs/dbraw/zinc/24/54/27/568245427.db2.gz WFSOOWANVUGNGM-GOSISDBHSA-N 1 2 358.507 4.664 20 0 FJADLO CCOC(=O)c1nc(C[N@H+]2CCCC[C@@H]2c2cccc(C)c2C)cs1 ZINC000525795258 568245428 /nfs/dbraw/zinc/24/54/28/568245428.db2.gz WFSOOWANVUGNGM-GOSISDBHSA-N 1 2 358.507 4.664 20 0 FJADLO Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1Oc1cc[nH+]cc1 ZINC000604308140 568247847 /nfs/dbraw/zinc/24/78/47/568247847.db2.gz HSURLDQGJIAODV-UHFFFAOYSA-N 1 2 368.477 4.652 20 0 FJADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)Nc1ccccc1F ZINC000007688332 568251932 /nfs/dbraw/zinc/25/19/32/568251932.db2.gz ZJLQEGXPCBEISR-UHFFFAOYSA-N 1 2 360.479 4.590 20 0 FJADLO CCc1ccccc1NC(=O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000303249549 568262755 /nfs/dbraw/zinc/26/27/55/568262755.db2.gz MRVRIZKNWFDGRH-UHFFFAOYSA-N 1 2 372.459 4.911 20 0 FJADLO CCc1ccccc1NC(=O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000303249549 568262756 /nfs/dbraw/zinc/26/27/56/568262756.db2.gz MRVRIZKNWFDGRH-UHFFFAOYSA-N 1 2 372.459 4.911 20 0 FJADLO Fc1ccc(OC2CC[NH+](Cc3csc(Br)c3)CC2)cc1 ZINC000604393865 568283766 /nfs/dbraw/zinc/28/37/66/568283766.db2.gz JLCTZFAFYPIKOT-UHFFFAOYSA-N 1 2 370.287 4.693 20 0 FJADLO Fc1ccc(OC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)cc1 ZINC000604393996 568283881 /nfs/dbraw/zinc/28/38/81/568283881.db2.gz GNCJKQAZEXLRED-UHFFFAOYSA-N 1 2 358.438 4.586 20 0 FJADLO Cn1cc[nH+]c1-c1cccc(NC(=O)Nc2ccccc2OCC2CC2)c1 ZINC000303838338 568287970 /nfs/dbraw/zinc/28/79/70/568287970.db2.gz INNRUYYAOMGQCB-UHFFFAOYSA-N 1 2 362.433 4.520 20 0 FJADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303547552 568291632 /nfs/dbraw/zinc/29/16/32/568291632.db2.gz VQBBFQQEKDYIMC-DLBZAZTESA-N 1 2 371.362 4.838 20 0 FJADLO CC(C)CC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000604581622 568320878 /nfs/dbraw/zinc/32/08/78/568320878.db2.gz XMKCWVRDSMWLDX-FQEVSTJZSA-N 1 2 370.541 4.582 20 0 FJADLO CC(C)CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000604581623 568320921 /nfs/dbraw/zinc/32/09/21/568320921.db2.gz XMKCWVRDSMWLDX-HXUWFJFHSA-N 1 2 370.541 4.582 20 0 FJADLO Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1Oc1cc[nH+]cc1 ZINC000604601140 568323490 /nfs/dbraw/zinc/32/34/90/568323490.db2.gz KMGXTMSHHSDOOL-NRFANRHFSA-N 1 2 374.440 4.865 20 0 FJADLO CC(C)[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000604657345 568340021 /nfs/dbraw/zinc/34/00/21/568340021.db2.gz PXRISVPYQOTBBQ-LJQANCHMSA-N 1 2 374.916 4.624 20 0 FJADLO Cc1ccccc1[C@H](C)CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000604705614 568353662 /nfs/dbraw/zinc/35/36/62/568353662.db2.gz LINPGBBUXKMCIA-RTBURBONSA-N 1 2 366.505 4.521 20 0 FJADLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000604745677 568356201 /nfs/dbraw/zinc/35/62/01/568356201.db2.gz OBFYTFFZGYYQCC-ZIAGYGMSSA-N 1 2 367.399 4.851 20 0 FJADLO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761249 568361231 /nfs/dbraw/zinc/36/12/31/568361231.db2.gz VWUITPMCZLKELP-OCCSQVGLSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761249 568361232 /nfs/dbraw/zinc/36/12/32/568361232.db2.gz VWUITPMCZLKELP-OCCSQVGLSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1cc(N2CCC[C@H]2c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000604756902 568365135 /nfs/dbraw/zinc/36/51/35/568365135.db2.gz AKPMWYYVBRVQKI-INIZCTEOSA-N 1 2 358.283 4.766 20 0 FJADLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1nnc2n1CCCCC2 ZINC000319726895 568368263 /nfs/dbraw/zinc/36/82/63/568368263.db2.gz QJELBHFRVBUYCK-NWDGAFQWSA-N 1 2 353.297 4.723 20 0 FJADLO COCC[N@H+](Cc1ccn(C(C)C)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000604884723 568384618 /nfs/dbraw/zinc/38/46/18/568384618.db2.gz HMYMIQQNSQUADW-HNNXBMFYSA-N 1 2 369.431 4.692 20 0 FJADLO COCC[N@@H+](Cc1ccn(C(C)C)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000604884723 568384619 /nfs/dbraw/zinc/38/46/19/568384619.db2.gz HMYMIQQNSQUADW-HNNXBMFYSA-N 1 2 369.431 4.692 20 0 FJADLO Cc1nnc([C@H]2CC23CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC3)o1 ZINC000365269285 568391263 /nfs/dbraw/zinc/39/12/63/568391263.db2.gz RNALDEISWYMXSX-GFCCVEGCSA-N 1 2 370.255 4.594 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000605082219 568557339 /nfs/dbraw/zinc/55/73/39/568557339.db2.gz ULHRVNJBYBTGLZ-LJQANCHMSA-N 1 2 351.837 4.503 20 0 FJADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC2CCCCC2)cc1 ZINC000605085461 568559241 /nfs/dbraw/zinc/55/92/41/568559241.db2.gz ZLAVPPNIKLJESH-UHFFFAOYSA-N 1 2 361.445 4.836 20 0 FJADLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc2cc(F)ccc2o1 ZINC000605079092 568560171 /nfs/dbraw/zinc/56/01/71/568560171.db2.gz VJATXFWWDGDFSX-UHFFFAOYSA-N 1 2 363.392 4.900 20 0 FJADLO CC(C)(C)Cc1nc2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc2o1 ZINC000605127895 568580077 /nfs/dbraw/zinc/58/00/77/568580077.db2.gz YCARDBAKYYCTFB-UHFFFAOYSA-N 1 2 374.444 4.854 20 0 FJADLO Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000605157210 568588545 /nfs/dbraw/zinc/58/85/45/568588545.db2.gz YJFXLAJDGVITNS-KRWDZBQOSA-N 1 2 351.416 4.871 20 0 FJADLO Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000605157210 568588543 /nfs/dbraw/zinc/58/85/43/568588543.db2.gz YJFXLAJDGVITNS-KRWDZBQOSA-N 1 2 351.416 4.871 20 0 FJADLO COc1ccc(-c2nc(C[NH2+][C@@H]3CSc4ccccc43)cs2)cc1 ZINC000605165952 568594270 /nfs/dbraw/zinc/59/42/70/568594270.db2.gz IJNUGXQCQMSAGZ-QGZVFWFLSA-N 1 2 354.500 4.755 20 0 FJADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154238 568598195 /nfs/dbraw/zinc/59/81/95/568598195.db2.gz MEVUHVZVIPJLAX-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154238 568598198 /nfs/dbraw/zinc/59/81/98/568598198.db2.gz MEVUHVZVIPJLAX-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155066 568599763 /nfs/dbraw/zinc/59/97/63/568599763.db2.gz IGPKGOPPJFPDRW-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155066 568599764 /nfs/dbraw/zinc/59/97/64/568599764.db2.gz IGPKGOPPJFPDRW-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156119 568601542 /nfs/dbraw/zinc/60/15/42/568601542.db2.gz KISZHDGJIKCIMA-DNVCBOLYSA-N 1 2 372.559 4.526 20 0 FJADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156119 568601545 /nfs/dbraw/zinc/60/15/45/568601545.db2.gz KISZHDGJIKCIMA-DNVCBOLYSA-N 1 2 372.559 4.526 20 0 FJADLO CC[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)c1ccccc1 ZINC000606147513 568684299 /nfs/dbraw/zinc/68/42/99/568684299.db2.gz FGUMOXPEHFCGNT-SFHVURJKSA-N 1 2 374.469 4.569 20 0 FJADLO CC[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C)cc1 ZINC000606178093 568693168 /nfs/dbraw/zinc/69/31/68/568693168.db2.gz BDPNOTOXHQMKLP-HXUWFJFHSA-N 1 2 365.521 4.580 20 0 FJADLO C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000606185627 568707409 /nfs/dbraw/zinc/70/74/09/568707409.db2.gz GDGCTQKGNIAFSV-OAHLLOKOSA-N 1 2 350.393 4.830 20 0 FJADLO C[C@@H](c1cccc(NC(=O)CC/C=C\c2ccccc2)c1)[NH+]1CCOCC1 ZINC000606193253 568713132 /nfs/dbraw/zinc/71/31/32/568713132.db2.gz BRAYJBGXMBYUHX-AJWDXOCTSA-N 1 2 364.489 4.512 20 0 FJADLO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000003583440 204106578 /nfs/dbraw/zinc/10/65/78/204106578.db2.gz NJSIVSZAYVERFW-GFCCVEGCSA-N 1 2 373.909 4.679 20 0 FJADLO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000003583440 204106581 /nfs/dbraw/zinc/10/65/81/204106581.db2.gz NJSIVSZAYVERFW-GFCCVEGCSA-N 1 2 373.909 4.679 20 0 FJADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803313 205187934 /nfs/dbraw/zinc/18/79/34/205187934.db2.gz IYJNPJCFTVQTHE-BDJLRTHQSA-N 1 2 352.862 4.705 20 0 FJADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803313 205187939 /nfs/dbraw/zinc/18/79/39/205187939.db2.gz IYJNPJCFTVQTHE-BDJLRTHQSA-N 1 2 352.862 4.705 20 0 FJADLO Cc1nc(COc2cccc(C(=O)Nc3c(C)cc(C)[nH+]c3C)c2)cs1 ZINC000097040351 205893816 /nfs/dbraw/zinc/89/38/16/205893816.db2.gz STPZGEFXYBEQSH-UHFFFAOYSA-N 1 2 367.474 4.603 20 0 FJADLO Cc1ccc(-c2nc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cs2)cc1 ZINC000105930753 206012259 /nfs/dbraw/zinc/01/22/59/206012259.db2.gz FGTTUTXFASTGQT-UHFFFAOYSA-N 1 2 360.442 4.557 20 0 FJADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000023821009 211396641 /nfs/dbraw/zinc/39/66/41/211396641.db2.gz XJCMRPVFDKQKHS-GFCCVEGCSA-N 1 2 367.276 4.634 20 0 FJADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000023821009 211396645 /nfs/dbraw/zinc/39/66/45/211396645.db2.gz XJCMRPVFDKQKHS-GFCCVEGCSA-N 1 2 367.276 4.634 20 0 FJADLO CC(C)(C)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000022289111 211346008 /nfs/dbraw/zinc/34/60/08/211346008.db2.gz GYMIONODAGXDGB-UHFFFAOYSA-N 1 2 357.523 4.679 20 0 FJADLO CC[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cccc(Cl)c1F ZINC000461100882 567893286 /nfs/dbraw/zinc/89/32/86/567893286.db2.gz KPOTUZHGRDGQFT-SUMWQHHRSA-N 1 2 358.848 4.862 20 0 FJADLO CC[C@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000602106197 567928742 /nfs/dbraw/zinc/92/87/42/567928742.db2.gz VCCALLBYEVFMGA-GOSISDBHSA-N 1 2 371.550 4.582 20 0 FJADLO CC(C)n1cc([C@H](C)NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cn1 ZINC000602379300 567971227 /nfs/dbraw/zinc/97/12/27/567971227.db2.gz ZVYYGCNLOPJQKD-HNNXBMFYSA-N 1 2 365.437 4.534 20 0 FJADLO Cc1csc([C@H](C)[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)n1 ZINC000162123661 567985975 /nfs/dbraw/zinc/98/59/75/567985975.db2.gz HYUFDJDMTBNDGU-JTQLQIEISA-N 1 2 351.447 4.704 20 0 FJADLO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c2ccccc2)[nH]1 ZINC000162662067 568002740 /nfs/dbraw/zinc/00/27/40/568002740.db2.gz PQBCJWXTJSRNBK-AOMKIAJQSA-N 1 2 369.472 4.615 20 0 FJADLO CCOc1ccc([C@H](C)NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000602740092 568020843 /nfs/dbraw/zinc/02/08/43/568020843.db2.gz PZNPYNISPSWHMT-INIZCTEOSA-N 1 2 362.429 4.764 20 0 FJADLO CC[C@@H](C)Oc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)ccc1OC ZINC000644835536 568034243 /nfs/dbraw/zinc/03/42/43/568034243.db2.gz VMVWEIZJJYKNTR-IIBYNOLFSA-N 1 2 354.494 4.851 20 0 FJADLO CC[C@@H](C)Oc1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)ccc1OC ZINC000644835536 568034245 /nfs/dbraw/zinc/03/42/45/568034245.db2.gz VMVWEIZJJYKNTR-IIBYNOLFSA-N 1 2 354.494 4.851 20 0 FJADLO FC(F)c1nc(C2([NH2+]C3CC(c4cccc(Cl)c4)C3)CCC2)no1 ZINC000644836522 568068632 /nfs/dbraw/zinc/06/86/32/568068632.db2.gz FVDQCBATCFZSNZ-UHFFFAOYSA-N 1 2 353.800 4.576 20 0 FJADLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccc(F)cc3F)n2)cc1F ZINC000066608876 568068965 /nfs/dbraw/zinc/06/89/65/568068965.db2.gz UQTFTIUUHHHXPG-NWDGAFQWSA-N 1 2 361.367 4.874 20 0 FJADLO CCc1cc(N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc[nH+]1 ZINC000603383651 568094351 /nfs/dbraw/zinc/09/43/51/568094351.db2.gz JSWNLJSFMNGGTC-AWEZNQCLSA-N 1 2 364.424 4.604 20 0 FJADLO CCc1cc(N[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)nc[nH+]1 ZINC000603393199 568095150 /nfs/dbraw/zinc/09/51/50/568095150.db2.gz CTSURYWEOHBBEG-INIZCTEOSA-N 1 2 366.490 4.661 20 0 FJADLO CCc1cc(N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)nc[nH+]1 ZINC000603393237 568095198 /nfs/dbraw/zinc/09/51/98/568095198.db2.gz AEHQFGFGVHDKEV-HNNXBMFYSA-N 1 2 354.454 4.791 20 0 FJADLO Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000603443091 568101775 /nfs/dbraw/zinc/10/17/75/568101775.db2.gz BYDDTRRWGCJBES-UHFFFAOYSA-N 1 2 358.445 4.805 20 0 FJADLO COc1cccc([C@H](C)[NH2+]Cc2csc(COc3ccc(C)cc3)n2)c1 ZINC000603511474 568110577 /nfs/dbraw/zinc/11/05/77/568110577.db2.gz OTOSSYZFIPXHMC-INIZCTEOSA-N 1 2 368.502 4.890 20 0 FJADLO Clc1ccc(SCCOc2ccc(C[NH2+]Cc3ccn[nH]3)cc2)cc1 ZINC000603517827 568111941 /nfs/dbraw/zinc/11/19/41/568111941.db2.gz ZEOTVVNGVWQPLH-UHFFFAOYSA-N 1 2 373.909 4.524 20 0 FJADLO COc1cccc2c1OCC[C@H]2[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000603518803 568112402 /nfs/dbraw/zinc/11/24/02/568112402.db2.gz MXQGWUAIRKKFJK-GOSISDBHSA-N 1 2 366.486 4.741 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000603808485 568142872 /nfs/dbraw/zinc/14/28/72/568142872.db2.gz BGQGQQZYZHEGBL-JKSUJKDBSA-N 1 2 374.469 4.633 20 0 FJADLO COCCN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CCCC1 ZINC000603826862 568152644 /nfs/dbraw/zinc/15/26/44/568152644.db2.gz SVGUUDCYDSSWMH-UHFFFAOYSA-N 1 2 374.868 4.559 20 0 FJADLO COc1ccccc1N(C)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603828516 568153346 /nfs/dbraw/zinc/15/33/46/568153346.db2.gz WNINTWGTURYRKZ-UHFFFAOYSA-N 1 2 368.820 4.813 20 0 FJADLO Cn1cc[nH+]c1[C@H](NC(=O)CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000008118080 568166052 /nfs/dbraw/zinc/16/60/52/568166052.db2.gz AGOBBUFWXBNJAG-LJQANCHMSA-N 1 2 359.901 4.640 20 0 FJADLO O=C(c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000603870106 568173896 /nfs/dbraw/zinc/17/38/96/568173896.db2.gz YMRHENAKPPRGQN-HNNXBMFYSA-N 1 2 368.820 4.750 20 0 FJADLO Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1Oc1cc[nH+]cc1 ZINC000604215598 568227206 /nfs/dbraw/zinc/22/72/06/568227206.db2.gz UCNCKSCRDQBDMM-NRFANRHFSA-N 1 2 358.441 4.942 20 0 FJADLO Cc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)cc1Oc1cc[nH+]cc1 ZINC000604217790 568227520 /nfs/dbraw/zinc/22/75/20/568227520.db2.gz VNKZKHOVOORZOZ-UHFFFAOYSA-N 1 2 368.383 4.733 20 0 FJADLO Cc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000604224003 568228885 /nfs/dbraw/zinc/22/88/85/568228885.db2.gz JYUMQFLELWTARC-FQEVSTJZSA-N 1 2 350.462 4.977 20 0 FJADLO CCCCc1[nH]c2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cc2[nH+]1 ZINC000604225305 568229248 /nfs/dbraw/zinc/22/92/48/568229248.db2.gz VCWXBFNPIKCHTA-HXUWFJFHSA-N 1 2 363.461 4.548 20 0 FJADLO CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604227353 568229797 /nfs/dbraw/zinc/22/97/97/568229797.db2.gz RNSUXRWCFLJTFO-UHFFFAOYSA-N 1 2 352.356 4.597 20 0 FJADLO Cc1ccc(C(=O)N(CC(F)(F)F)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000604219673 568230366 /nfs/dbraw/zinc/23/03/66/568230366.db2.gz AOXDKXKLJMPOQO-UHFFFAOYSA-N 1 2 352.356 4.595 20 0 FJADLO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(Oc3cc[nH+]cc3)c1)CC2 ZINC000604230802 568233411 /nfs/dbraw/zinc/23/34/11/568233411.db2.gz VYFNDJBETAIIRP-OAQYLSRUSA-N 1 2 358.441 4.908 20 0 FJADLO Cc1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1Oc1cc[nH+]cc1 ZINC000604230832 568233441 /nfs/dbraw/zinc/23/34/41/568233441.db2.gz YUENLVQSHSPHTO-FQEVSTJZSA-N 1 2 362.404 4.739 20 0 FJADLO Cc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1Oc1cc[nH+]cc1 ZINC000604232103 568233905 /nfs/dbraw/zinc/23/39/05/568233905.db2.gz QEBSQFDMJWDXJH-INIZCTEOSA-N 1 2 360.413 4.610 20 0 FJADLO CC[N@@H+](Cc1csc(-c2ccsc2)n1)C[C@H]1COc2ccccc2O1 ZINC000302763745 568234958 /nfs/dbraw/zinc/23/49/58/568234958.db2.gz YHBKXFJYBBVLQR-INIZCTEOSA-N 1 2 372.515 4.534 20 0 FJADLO CC[N@H+](Cc1csc(-c2ccsc2)n1)C[C@H]1COc2ccccc2O1 ZINC000302763745 568234959 /nfs/dbraw/zinc/23/49/59/568234959.db2.gz YHBKXFJYBBVLQR-INIZCTEOSA-N 1 2 372.515 4.534 20 0 FJADLO Cc1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604314402 568245692 /nfs/dbraw/zinc/24/56/92/568245692.db2.gz GIJHIXUNZWVAPY-JXFKEZNVSA-N 1 2 368.477 4.507 20 0 FJADLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000007593287 568247003 /nfs/dbraw/zinc/24/70/03/568247003.db2.gz ZFWWYESEDGMNFL-LIRRHRJNSA-N 1 2 354.837 4.639 20 0 FJADLO C[C@H]1C[C@@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000303197957 568259693 /nfs/dbraw/zinc/25/96/93/568259693.db2.gz YMHAKJYELVMETA-ROUUACIJSA-N 1 2 369.509 4.753 20 0 FJADLO COc1ccc(-c2cnc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)o2)cc1 ZINC000604394413 568284449 /nfs/dbraw/zinc/28/44/49/568284449.db2.gz GQYFJGHJONJJDO-LJQANCHMSA-N 1 2 366.486 4.640 20 0 FJADLO COc1ccc(-c2cnc(C[N@H+]3CCSC[C@@H]3c3ccccc3)o2)cc1 ZINC000604394413 568284450 /nfs/dbraw/zinc/28/44/50/568284450.db2.gz GQYFJGHJONJJDO-LJQANCHMSA-N 1 2 366.486 4.640 20 0 FJADLO Cc1ccc(-c2ccc(C(=O)NCc3cn4cccc(C)c4[nH+]3)c(F)c2)cc1 ZINC000303546574 568291669 /nfs/dbraw/zinc/29/16/69/568291669.db2.gz VMZFUAHQJFVTFF-UHFFFAOYSA-N 1 2 373.431 4.687 20 0 FJADLO COC(=O)c1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c(C)o1 ZINC000604512820 568306698 /nfs/dbraw/zinc/30/66/98/568306698.db2.gz HXQRBNJWBOYKKE-GOSISDBHSA-N 1 2 373.499 4.645 20 0 FJADLO COC(=O)c1cc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c(C)o1 ZINC000604512820 568306699 /nfs/dbraw/zinc/30/66/99/568306699.db2.gz HXQRBNJWBOYKKE-GOSISDBHSA-N 1 2 373.499 4.645 20 0 FJADLO C[C@H](CCC1CCCCC1)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000604576117 568315766 /nfs/dbraw/zinc/31/57/66/568315766.db2.gz NSBBXYINSISZCF-YLJYHZDGSA-N 1 2 368.525 4.558 20 0 FJADLO CC(C)CC[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000604576192 568315773 /nfs/dbraw/zinc/31/57/73/568315773.db2.gz TYJQDVSKSPVBHU-OALUTQOASA-N 1 2 370.541 4.660 20 0 FJADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C)c1C ZINC000604664533 568342347 /nfs/dbraw/zinc/34/23/47/568342347.db2.gz KDYJYYCHEQWZOT-SFHVURJKSA-N 1 2 363.546 4.699 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCCC[C@H]1c1ccccc1 ZINC000604670243 568344858 /nfs/dbraw/zinc/34/48/58/568344858.db2.gz CTZSHEIGNNXTGZ-QFIPXVFZSA-N 1 2 374.488 4.699 20 0 FJADLO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000604670307 568344890 /nfs/dbraw/zinc/34/48/90/568344890.db2.gz GFGKJCUJYAAIDO-GOSISDBHSA-N 1 2 360.546 4.684 20 0 FJADLO Cc1ccc(CCNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)cc1 ZINC000604746856 568356395 /nfs/dbraw/zinc/35/63/95/568356395.db2.gz AGROPQVCJBKWBW-UHFFFAOYSA-N 1 2 366.848 4.808 20 0 FJADLO Cc1ccc(C(=O)NC(C)(C)c2cccs2)cc1Oc1cc[nH+]cc1 ZINC000604855732 568378402 /nfs/dbraw/zinc/37/84/02/568378402.db2.gz RSOYXIZDWJGILR-UHFFFAOYSA-N 1 2 352.459 4.909 20 0 FJADLO Cc1ccc(OC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)cc1 ZINC000604885320 568380761 /nfs/dbraw/zinc/38/07/61/568380761.db2.gz DSZHYDGBXFJHAO-UHFFFAOYSA-N 1 2 354.475 4.755 20 0 FJADLO CCCN(Cc1ccc(F)cc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644852805 568391203 /nfs/dbraw/zinc/39/12/03/568391203.db2.gz WGNXDCRFMSYNPA-FQEVSTJZSA-N 1 2 365.452 4.510 20 0 FJADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCO[C@@H](c4cccs4)C3)o2)cc1C ZINC000247411985 568469552 /nfs/dbraw/zinc/46/95/52/568469552.db2.gz MQRFKSJXNMEGLZ-DOTOQJQBSA-N 1 2 369.490 4.549 20 0 FJADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCO[C@@H](c4cccs4)C3)o2)cc1C ZINC000247411985 568469553 /nfs/dbraw/zinc/46/95/53/568469553.db2.gz MQRFKSJXNMEGLZ-DOTOQJQBSA-N 1 2 369.490 4.549 20 0 FJADLO CCCCn1c(SCc2ccc(CC)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000604996265 568506708 /nfs/dbraw/zinc/50/67/08/568506708.db2.gz UKDBUALBXCTTOV-SFHVURJKSA-N 1 2 360.571 4.946 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccsc1)c1ccccc1 ZINC000605089604 568567953 /nfs/dbraw/zinc/56/79/53/568567953.db2.gz AFMZZDLNAFPNMA-UHFFFAOYSA-N 1 2 359.454 4.781 20 0 FJADLO COc1ccccc1-c1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000605128503 568575798 /nfs/dbraw/zinc/57/57/98/568575798.db2.gz NJQOTJPRUYEFMW-UHFFFAOYSA-N 1 2 369.424 4.800 20 0 FJADLO Cc1ccccc1-n1nccc1C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000365389468 568593809 /nfs/dbraw/zinc/59/38/09/568593809.db2.gz YEBZJQYFHVWPFX-FQEVSTJZSA-N 1 2 360.486 4.516 20 0 FJADLO Cc1ccc(OCc2nc(C[NH2+][C@@H]3CSc4ccccc43)cs2)cc1 ZINC000605166128 568594431 /nfs/dbraw/zinc/59/44/31/568594431.db2.gz SEJVXDGWMNOLGO-GOSISDBHSA-N 1 2 368.527 4.967 20 0 FJADLO CO[C@H]1CCC[N@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643292195 568596282 /nfs/dbraw/zinc/59/62/82/568596282.db2.gz JMNHYNFCQMGSEL-NRFANRHFSA-N 1 2 353.510 4.666 20 0 FJADLO CO[C@H]1CCC[N@@H+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643292195 568596286 /nfs/dbraw/zinc/59/62/86/568596286.db2.gz JMNHYNFCQMGSEL-NRFANRHFSA-N 1 2 353.510 4.666 20 0 FJADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155286 568599984 /nfs/dbraw/zinc/59/99/84/568599984.db2.gz NNABYGHJMPTZLX-FQEVSTJZSA-N 1 2 368.546 4.540 20 0 FJADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155286 568599986 /nfs/dbraw/zinc/59/99/86/568599986.db2.gz NNABYGHJMPTZLX-FQEVSTJZSA-N 1 2 368.546 4.540 20 0 FJADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156121 568601601 /nfs/dbraw/zinc/60/16/01/568601601.db2.gz KISZHDGJIKCIMA-KXBFYZLASA-N 1 2 372.559 4.526 20 0 FJADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156121 568601603 /nfs/dbraw/zinc/60/16/03/568601603.db2.gz KISZHDGJIKCIMA-KXBFYZLASA-N 1 2 372.559 4.526 20 0 FJADLO CC[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C)cc1 ZINC000606184036 568698327 /nfs/dbraw/zinc/69/83/27/568698327.db2.gz LABMNXOAOOMTBP-SFHVURJKSA-N 1 2 365.452 4.520 20 0 FJADLO C[C@H](c1cccc(NC(=O)CC/C=C/c2ccccc2)c1)[NH+]1CCOCC1 ZINC000606193255 568713117 /nfs/dbraw/zinc/71/31/17/568713117.db2.gz BRAYJBGXMBYUHX-CEQQRPIWSA-N 1 2 364.489 4.512 20 0 FJADLO CC(C)c1ccc([C@H](C)CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000606200931 568719906 /nfs/dbraw/zinc/71/99/06/568719906.db2.gz AKUDCZFWXJJLCK-GOSISDBHSA-N 1 2 361.489 4.806 20 0 FJADLO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(F)cc1F ZINC000059925784 205283755 /nfs/dbraw/zinc/28/37/55/205283755.db2.gz ZHCYCCVHWXUWLB-GFCCVEGCSA-N 1 2 368.412 4.947 20 0 FJADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)c(Cl)c1 ZINC000108128021 206027536 /nfs/dbraw/zinc/02/75/36/206027536.db2.gz JLCDOOBODYPCEP-LBPRGKRZSA-N 1 2 352.812 4.558 20 0 FJADLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)c(Cl)c1 ZINC000108128021 206027538 /nfs/dbraw/zinc/02/75/38/206027538.db2.gz JLCDOOBODYPCEP-LBPRGKRZSA-N 1 2 352.812 4.558 20 0 FJADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)sc2cccc(F)c12 ZINC000108581311 206034640 /nfs/dbraw/zinc/03/46/40/206034640.db2.gz RMVCSYZUZWOMQB-UHFFFAOYSA-N 1 2 369.396 4.926 20 0 FJADLO Cc1nc(C(C)C)sc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000109888908 206065480 /nfs/dbraw/zinc/06/54/80/206065480.db2.gz IVTKDEHCUYTFBF-UHFFFAOYSA-N 1 2 354.479 4.971 20 0 FJADLO Brc1ccc2[nH+]cc(/C=C\c3nc4ccccc4s3)n2c1 ZINC000210213755 206339001 /nfs/dbraw/zinc/33/90/01/206339001.db2.gz YMDRRNHNSMXXPF-VURMDHGXSA-N 1 2 356.248 4.877 20 0 FJADLO Brc1ccc2[nH+]cc(/C=C\c3ccc4ccccc4n3)n2c1 ZINC000210215136 206340120 /nfs/dbraw/zinc/34/01/20/206340120.db2.gz RBKXWOVCCJRTLE-HJWRWDBZSA-N 1 2 350.219 4.815 20 0 FJADLO Cc1nnc(C[N@H+](Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000216462864 206359334 /nfs/dbraw/zinc/35/93/34/206359334.db2.gz WMXGZDOJFMKOAS-FHSNZYRGSA-N 1 2 365.880 4.997 20 0 FJADLO Cc1nnc(C[N@@H+](Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000216462864 206359338 /nfs/dbraw/zinc/35/93/38/206359338.db2.gz WMXGZDOJFMKOAS-FHSNZYRGSA-N 1 2 365.880 4.997 20 0 FJADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097040316 222154617 /nfs/dbraw/zinc/15/46/17/222154617.db2.gz PZSAYPLGJDCNJV-UHFFFAOYSA-N 1 2 355.438 4.830 20 0 FJADLO Cc1cc(C)c(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c(C)[nH+]1 ZINC000097250388 222170100 /nfs/dbraw/zinc/17/01/00/222170100.db2.gz LIOFKNFVLGKJRF-UHFFFAOYSA-N 1 2 373.456 4.820 20 0 FJADLO O=C(CNc1ccccc1Cl)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601732002 567820526 /nfs/dbraw/zinc/82/05/26/567820526.db2.gz XYVSTVZVMIDAKT-UHFFFAOYSA-N 1 2 353.809 4.578 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000601866209 567867735 /nfs/dbraw/zinc/86/77/35/567867735.db2.gz SACLUBHAHWLVTA-HXUWFJFHSA-N 1 2 363.392 4.822 20 0 FJADLO CC[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cccc(Cl)c1F ZINC000461100879 567881590 /nfs/dbraw/zinc/88/15/90/567881590.db2.gz KPOTUZHGRDGQFT-GUYCJALGSA-N 1 2 358.848 4.862 20 0 FJADLO Clc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051423282 567885377 /nfs/dbraw/zinc/88/53/77/567885377.db2.gz YFRYMZCNLQACMA-INIZCTEOSA-N 1 2 356.882 4.591 20 0 FJADLO Clc1ccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)cc1 ZINC000051423282 567885378 /nfs/dbraw/zinc/88/53/78/567885378.db2.gz YFRYMZCNLQACMA-INIZCTEOSA-N 1 2 356.882 4.591 20 0 FJADLO Fc1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000014929276 567903917 /nfs/dbraw/zinc/90/39/17/567903917.db2.gz GOEFPYHTUBRAKF-QGZVFWFLSA-N 1 2 370.449 4.639 20 0 FJADLO Fc1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000014929276 567903918 /nfs/dbraw/zinc/90/39/18/567903918.db2.gz GOEFPYHTUBRAKF-QGZVFWFLSA-N 1 2 370.449 4.639 20 0 FJADLO C[C@H](CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C(=O)c1ccccc1 ZINC000602123702 567938375 /nfs/dbraw/zinc/93/83/75/567938375.db2.gz DEYPFKHXOZEZSX-CQSZACIVSA-N 1 2 361.445 4.678 20 0 FJADLO C[C@H](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)c1ccccc1 ZINC000602170771 567947439 /nfs/dbraw/zinc/94/74/39/567947439.db2.gz DCIUAYVLKQYBOA-MRXNPFEDSA-N 1 2 360.413 4.722 20 0 FJADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1ccc(Br)cc1)C2 ZINC000602238893 567954841 /nfs/dbraw/zinc/95/48/41/567954841.db2.gz WTALOHKJWMVOLJ-ZDUSSCGKSA-N 1 2 373.294 4.527 20 0 FJADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1ccc(Br)cc1)C2 ZINC000602238893 567954843 /nfs/dbraw/zinc/95/48/43/567954843.db2.gz WTALOHKJWMVOLJ-ZDUSSCGKSA-N 1 2 373.294 4.527 20 0 FJADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1ccc(Br)cc1)C2 ZINC000602238892 567954921 /nfs/dbraw/zinc/95/49/21/567954921.db2.gz WTALOHKJWMVOLJ-CYBMUJFWSA-N 1 2 373.294 4.527 20 0 FJADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1ccc(Br)cc1)C2 ZINC000602238892 567954922 /nfs/dbraw/zinc/95/49/22/567954922.db2.gz WTALOHKJWMVOLJ-CYBMUJFWSA-N 1 2 373.294 4.527 20 0 FJADLO c1c(Cc2noc(-c3ccccc3Oc3ccccc3)n2)[nH+]c2ccccn12 ZINC000521417836 567969923 /nfs/dbraw/zinc/96/99/23/567969923.db2.gz KYTFRBNQYXRAOU-UHFFFAOYSA-N 1 2 368.396 4.767 20 0 FJADLO O=C(c1sccc1C1CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000521424099 567993554 /nfs/dbraw/zinc/99/35/54/567993554.db2.gz WWMZYUGFELOJEK-UHFFFAOYSA-N 1 2 374.937 4.627 20 0 FJADLO O=C(c1sccc1C1CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000521424099 567993555 /nfs/dbraw/zinc/99/35/55/567993555.db2.gz WWMZYUGFELOJEK-UHFFFAOYSA-N 1 2 374.937 4.627 20 0 FJADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000521426259 568012554 /nfs/dbraw/zinc/01/25/54/568012554.db2.gz NFQLWQSOFPGHAG-IAGOWNOFSA-N 1 2 366.505 4.594 20 0 FJADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000521426259 568012556 /nfs/dbraw/zinc/01/25/56/568012556.db2.gz NFQLWQSOFPGHAG-IAGOWNOFSA-N 1 2 366.505 4.594 20 0 FJADLO CCOc1ccc([C@@H](C)NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000602740093 568020789 /nfs/dbraw/zinc/02/07/89/568020789.db2.gz PZNPYNISPSWHMT-MRXNPFEDSA-N 1 2 362.429 4.764 20 0 FJADLO CC[C@@H](C)Oc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)ccc1OC ZINC000644835535 568034208 /nfs/dbraw/zinc/03/42/08/568034208.db2.gz VMVWEIZJJYKNTR-IERDGZPVSA-N 1 2 354.494 4.851 20 0 FJADLO CC[C@@H](C)Oc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)ccc1OC ZINC000644835535 568034209 /nfs/dbraw/zinc/03/42/09/568034209.db2.gz VMVWEIZJJYKNTR-IERDGZPVSA-N 1 2 354.494 4.851 20 0 FJADLO c1sc(COc2ccccc2)nc1C[NH2+][C@H]1CSc2ccccc21 ZINC000522757999 568052971 /nfs/dbraw/zinc/05/29/71/568052971.db2.gz BRFVELWGYJPKTN-KRWDZBQOSA-N 1 2 354.500 4.659 20 0 FJADLO O=C(c1sc2cccc(Cl)c2c1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000603476352 568104049 /nfs/dbraw/zinc/10/40/49/568104049.db2.gz FWKXXXBBXJCGRU-UHFFFAOYSA-N 1 2 369.317 4.518 20 0 FJADLO COc1cccc([C@@H](C)[NH2+]Cc2csc(COc3ccc(C)cc3)n2)c1 ZINC000603511477 568110581 /nfs/dbraw/zinc/11/05/81/568110581.db2.gz OTOSSYZFIPXHMC-MRXNPFEDSA-N 1 2 368.502 4.890 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000603808483 568142799 /nfs/dbraw/zinc/14/27/99/568142799.db2.gz BGQGQQZYZHEGBL-HOTGVXAUSA-N 1 2 374.469 4.633 20 0 FJADLO CC(C)Cn1ccc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000522780248 568152011 /nfs/dbraw/zinc/15/20/11/568152011.db2.gz SSDCRRATNQQVHP-UHFFFAOYSA-N 1 2 372.472 4.794 20 0 FJADLO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883721 568176677 /nfs/dbraw/zinc/17/66/77/568176677.db2.gz DILBMOPUVCHRCD-UHFFFAOYSA-N 1 2 374.878 4.733 20 0 FJADLO CCc1c[nH+]ccc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000603911631 568178734 /nfs/dbraw/zinc/17/87/34/568178734.db2.gz DMANOLFYRWQAGO-UHFFFAOYSA-N 1 2 351.258 4.840 20 0 FJADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000070945982 568207915 /nfs/dbraw/zinc/20/79/15/568207915.db2.gz YRKDPBMYLAJXNM-INIZCTEOSA-N 1 2 357.523 4.819 20 0 FJADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000070945982 568207916 /nfs/dbraw/zinc/20/79/16/568207916.db2.gz YRKDPBMYLAJXNM-INIZCTEOSA-N 1 2 357.523 4.819 20 0 FJADLO Cc1c[nH+]c(CCSc2nnc(Cc3cccs3)n2C2CC2)c(C)c1 ZINC000563114354 568217421 /nfs/dbraw/zinc/21/74/21/568217421.db2.gz XTKUQLUMTXYRIT-UHFFFAOYSA-N 1 2 370.547 4.612 20 0 FJADLO O=C(NCc1ccc2ccccc2n1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000604155571 568217695 /nfs/dbraw/zinc/21/76/95/568217695.db2.gz GYOLRJWIYUFPLD-UHFFFAOYSA-N 1 2 370.412 4.744 20 0 FJADLO Cc1ccc(CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)cc1F ZINC000604215265 568227100 /nfs/dbraw/zinc/22/71/00/568227100.db2.gz BZBRVJBCKJDKIU-UHFFFAOYSA-N 1 2 350.393 4.560 20 0 FJADLO Cc1ccc(CN(C)C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)s1 ZINC000604229491 568233010 /nfs/dbraw/zinc/23/30/10/568233010.db2.gz BWOJXRWNEKQERC-UHFFFAOYSA-N 1 2 352.459 4.824 20 0 FJADLO CCC[C@H](NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)c1ccccn1 ZINC000604230298 568233283 /nfs/dbraw/zinc/23/32/83/568233283.db2.gz GXAMWWSDADLEFD-FQEVSTJZSA-N 1 2 361.445 4.849 20 0 FJADLO Cc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1Oc1cc[nH+]cc1 ZINC000604230833 568233435 /nfs/dbraw/zinc/23/34/35/568233435.db2.gz YUENLVQSHSPHTO-HXUWFJFHSA-N 1 2 362.404 4.739 20 0 FJADLO O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000604280388 568240520 /nfs/dbraw/zinc/24/05/20/568240520.db2.gz ZFWYUIVEMCCJBY-IBGZPJMESA-N 1 2 371.484 4.945 20 0 FJADLO Cc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604314404 568245727 /nfs/dbraw/zinc/24/57/27/568245727.db2.gz GIJHIXUNZWVAPY-OXQOHEQNSA-N 1 2 368.477 4.507 20 0 FJADLO COC(=O)c1occc1C[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000604306418 568247503 /nfs/dbraw/zinc/24/75/03/568247503.db2.gz ROROQRLBNBMHSV-GFCCVEGCSA-N 1 2 367.367 4.811 20 0 FJADLO COC(=O)c1occc1C[N@@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000604306418 568247504 /nfs/dbraw/zinc/24/75/04/568247504.db2.gz ROROQRLBNBMHSV-GFCCVEGCSA-N 1 2 367.367 4.811 20 0 FJADLO CC[N@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccc(Cl)s1 ZINC000016341576 568252313 /nfs/dbraw/zinc/25/23/13/568252313.db2.gz KETNWJPCMSIXBQ-UHFFFAOYSA-N 1 2 354.928 4.584 20 0 FJADLO CC[N@@H+](CC(=O)Nc1cccc(SC)c1)Cc1ccc(Cl)s1 ZINC000016341576 568252314 /nfs/dbraw/zinc/25/23/14/568252314.db2.gz KETNWJPCMSIXBQ-UHFFFAOYSA-N 1 2 354.928 4.584 20 0 FJADLO Fc1ccc(OC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)cc1 ZINC000604393660 568283598 /nfs/dbraw/zinc/28/35/98/568283598.db2.gz IDIUWHNFHPDPBZ-UHFFFAOYSA-N 1 2 360.498 4.983 20 0 FJADLO Cc1noc(C[N@@H+](C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)n1 ZINC000604394923 568284910 /nfs/dbraw/zinc/28/49/10/568284910.db2.gz TZMFBPQBIUMEHA-UHFFFAOYSA-N 1 2 365.477 4.514 20 0 FJADLO Cc1noc(C[N@H+](C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)n1 ZINC000604394923 568284912 /nfs/dbraw/zinc/28/49/12/568284912.db2.gz TZMFBPQBIUMEHA-UHFFFAOYSA-N 1 2 365.477 4.514 20 0 FJADLO CCOC(=O)c1nc(C[N@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000604492727 568303674 /nfs/dbraw/zinc/30/36/74/568303674.db2.gz GRKSHKFZOKDNPD-LLVKDONJSA-N 1 2 372.412 4.532 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)cs1 ZINC000604492727 568303675 /nfs/dbraw/zinc/30/36/75/568303675.db2.gz GRKSHKFZOKDNPD-LLVKDONJSA-N 1 2 372.412 4.532 20 0 FJADLO CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000604538691 568309192 /nfs/dbraw/zinc/30/91/92/568309192.db2.gz HLSSRHITLAIUGM-UHFFFAOYSA-N 1 2 363.442 4.938 20 0 FJADLO CC(C)C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000604599787 568322993 /nfs/dbraw/zinc/32/29/93/568322993.db2.gz FSPFPQLHVJZWPF-SFHVURJKSA-N 1 2 368.506 4.520 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cccc(-c2cccs2)c1 ZINC000604620788 568331100 /nfs/dbraw/zinc/33/11/00/568331100.db2.gz XXSGAEJFOJYRTM-UHFFFAOYSA-N 1 2 374.469 4.923 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC1(c2ccccc2)CCCCC1 ZINC000604655718 568339493 /nfs/dbraw/zinc/33/94/93/568339493.db2.gz DBGVQWLBXKCYII-UHFFFAOYSA-N 1 2 374.488 4.531 20 0 FJADLO C[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc(F)c1 ZINC000604704659 568349821 /nfs/dbraw/zinc/34/98/21/568349821.db2.gz MVVUBADLJNXJJB-ZDUSSCGKSA-N 1 2 357.816 4.797 20 0 FJADLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000604745673 568356179 /nfs/dbraw/zinc/35/61/79/568356179.db2.gz OBFYTFFZGYYQCC-KBPBESRZSA-N 1 2 367.399 4.851 20 0 FJADLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000604745674 568356229 /nfs/dbraw/zinc/35/62/29/568356229.db2.gz OBFYTFFZGYYQCC-KGLIPLIRSA-N 1 2 367.399 4.851 20 0 FJADLO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000604768229 568362546 /nfs/dbraw/zinc/36/25/46/568362546.db2.gz PEEIEMDHNLSGRE-OAQYLSRUSA-N 1 2 368.427 4.556 20 0 FJADLO CC(C)COc1ccc(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cn1 ZINC000604846650 568376779 /nfs/dbraw/zinc/37/67/79/568376779.db2.gz ATUKKHDBNHYNTA-UHFFFAOYSA-N 1 2 363.417 4.556 20 0 FJADLO CC[C@@H](C)[C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000604861331 568379282 /nfs/dbraw/zinc/37/92/82/568379282.db2.gz XMWVBZYSHUTFLV-GCJKJVERSA-N 1 2 365.521 4.518 20 0 FJADLO Cc1cc(C[N@@H+](C)Cc2ccn(C(C)C)n2)cc(C)c1OCC(F)(F)F ZINC000604884443 568384565 /nfs/dbraw/zinc/38/45/65/568384565.db2.gz XUAXEGMWRUFOLO-UHFFFAOYSA-N 1 2 369.431 4.654 20 0 FJADLO Cc1cc(C[N@H+](C)Cc2ccn(C(C)C)n2)cc(C)c1OCC(F)(F)F ZINC000604884443 568384566 /nfs/dbraw/zinc/38/45/66/568384566.db2.gz XUAXEGMWRUFOLO-UHFFFAOYSA-N 1 2 369.431 4.654 20 0 FJADLO Cc1nnc([C@@H]2CC23CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC3)o1 ZINC000365269287 568391251 /nfs/dbraw/zinc/39/12/51/568391251.db2.gz RNALDEISWYMXSX-LBPRGKRZSA-N 1 2 370.255 4.594 20 0 FJADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cs1 ZINC000024808089 568490269 /nfs/dbraw/zinc/49/02/69/568490269.db2.gz PLWBKEVEEZWVHP-SNVBAGLBSA-N 1 2 372.321 4.674 20 0 FJADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cs1 ZINC000024808084 568490290 /nfs/dbraw/zinc/49/02/90/568490290.db2.gz PLWBKEVEEZWVHP-JTQLQIEISA-N 1 2 372.321 4.674 20 0 FJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(C)C)cc2)c1C ZINC000007292366 568491635 /nfs/dbraw/zinc/49/16/35/568491635.db2.gz RYELAAJHGYJQNZ-INIZCTEOSA-N 1 2 354.494 4.661 20 0 FJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C(C)C)cc2)c1C ZINC000007292366 568491636 /nfs/dbraw/zinc/49/16/36/568491636.db2.gz RYELAAJHGYJQNZ-INIZCTEOSA-N 1 2 354.494 4.661 20 0 FJADLO CC(=O)Nc1nc(C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000605026421 568531337 /nfs/dbraw/zinc/53/13/37/568531337.db2.gz UYYIPKNVTKJUCZ-QGZVFWFLSA-N 1 2 363.914 4.872 20 0 FJADLO CC(=O)Nc1nc(C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000605026421 568531338 /nfs/dbraw/zinc/53/13/38/568531338.db2.gz UYYIPKNVTKJUCZ-QGZVFWFLSA-N 1 2 363.914 4.872 20 0 FJADLO O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605077750 568555427 /nfs/dbraw/zinc/55/54/27/568555427.db2.gz BTNOENARCLXQCK-UHFFFAOYSA-N 1 2 369.424 4.704 20 0 FJADLO CCc1ccc(-c2csc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000605078407 568555798 /nfs/dbraw/zinc/55/57/98/568555798.db2.gz FNNCBSFORSCEEE-UHFFFAOYSA-N 1 2 374.469 4.811 20 0 FJADLO Cc1sc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)nc1-c1ccc(C)cc1 ZINC000605079044 568560038 /nfs/dbraw/zinc/56/00/38/568560038.db2.gz PQVAQHOFXONWAG-UHFFFAOYSA-N 1 2 374.469 4.865 20 0 FJADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605086746 568566647 /nfs/dbraw/zinc/56/66/47/568566647.db2.gz YWPKTFJUYBUKBE-UHFFFAOYSA-N 1 2 374.271 4.841 20 0 FJADLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(NC2CCCC2)c1 ZINC000605180882 568605607 /nfs/dbraw/zinc/60/56/07/568605607.db2.gz CBZZRYXJVQVQRJ-UHFFFAOYSA-N 1 2 362.477 4.592 20 0 FJADLO FC(F)n1c2ccccc2nc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605187944 568615234 /nfs/dbraw/zinc/61/52/34/568615234.db2.gz XJFWPHRWVNFMRL-QGZVFWFLSA-N 1 2 359.445 4.722 20 0 FJADLO FC(F)n1c2ccccc2nc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605187944 568615236 /nfs/dbraw/zinc/61/52/36/568615236.db2.gz XJFWPHRWVNFMRL-QGZVFWFLSA-N 1 2 359.445 4.722 20 0 FJADLO CCCc1nc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000050071702 568685313 /nfs/dbraw/zinc/68/53/13/568685313.db2.gz FEAWUHKVODXOTK-UHFFFAOYSA-N 1 2 362.926 4.844 20 0 FJADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000008533708 204333999 /nfs/dbraw/zinc/33/39/99/204333999.db2.gz ILEHTBSRWNLUDD-SNVBAGLBSA-N 1 2 373.230 4.731 20 0 FJADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000008533708 204334004 /nfs/dbraw/zinc/33/40/04/204334004.db2.gz ILEHTBSRWNLUDD-SNVBAGLBSA-N 1 2 373.230 4.731 20 0 FJADLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1cccc2ncccc21 ZINC000108853701 206040758 /nfs/dbraw/zinc/04/07/58/206040758.db2.gz WGZIKAZHOFIGMW-UHFFFAOYSA-N 1 2 368.440 4.687 20 0 FJADLO C[C@@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](c2ccccc2)O1 ZINC000109101084 206046214 /nfs/dbraw/zinc/04/62/14/206046214.db2.gz ITXOSNYPDOZHLY-FOIQADDNSA-N 1 2 368.864 4.957 20 0 FJADLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](c2ccccc2)O1 ZINC000109101084 206046218 /nfs/dbraw/zinc/04/62/18/206046218.db2.gz ITXOSNYPDOZHLY-FOIQADDNSA-N 1 2 368.864 4.957 20 0 FJADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(Br)s1 ZINC000038002657 211339006 /nfs/dbraw/zinc/33/90/06/211339006.db2.gz DTHJRORSYLCMNM-NSHDSACASA-N 1 2 352.301 4.679 20 0 FJADLO C[C@@H]([NH2+][C@H](c1ccncc1)c1cc(F)ccc1F)c1ccc(Cl)nc1 ZINC000359973258 533537951 /nfs/dbraw/zinc/53/79/51/533537951.db2.gz KELQMPHCPXKZLP-CWTRNNRKSA-N 1 2 359.807 4.848 20 0 FJADLO Cc1cc(C)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)[nH+]1 ZINC000097040042 222153869 /nfs/dbraw/zinc/15/38/69/222153869.db2.gz AVYAVRDGWRMTIT-UHFFFAOYSA-N 1 2 354.381 4.570 20 0 FJADLO CCOc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)[nH+]c3C)cs2)cc1 ZINC000097219793 222170955 /nfs/dbraw/zinc/17/09/55/222170955.db2.gz ZKLYMMRYJLAGGU-UHFFFAOYSA-N 1 2 367.474 4.781 20 0 FJADLO C[C@H](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)c1ccccc1 ZINC000602118142 567931499 /nfs/dbraw/zinc/93/14/99/567931499.db2.gz QZKDSRFOEODGAT-MRXNPFEDSA-N 1 2 360.413 4.722 20 0 FJADLO Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000602206530 567952120 /nfs/dbraw/zinc/95/21/20/567952120.db2.gz BVZAQOZOEIJDCL-QFIPXVFZSA-N 1 2 361.489 4.757 20 0 FJADLO Cc1oc(-c2ccccc2)c(C(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000186656587 567967456 /nfs/dbraw/zinc/96/74/56/567967456.db2.gz IPEQEKWQCXTOBR-UHFFFAOYSA-N 1 2 363.461 4.581 20 0 FJADLO C[C@H]([NH2+]Cc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl ZINC000186760554 567977737 /nfs/dbraw/zinc/97/77/37/567977737.db2.gz IBQMAKXFULBHGL-VIFPVBQESA-N 1 2 354.262 4.956 20 0 FJADLO C[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cc(Cl)ccc1Cl ZINC000186778165 567982923 /nfs/dbraw/zinc/98/29/23/567982923.db2.gz XGCIIQSWGCBVQQ-VIFPVBQESA-N 1 2 354.262 4.956 20 0 FJADLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncnc3ccsc32)c1 ZINC000602619995 567998510 /nfs/dbraw/zinc/99/85/10/567998510.db2.gz TWEZLZUUIJTOHX-UHFFFAOYSA-N 1 2 367.503 4.523 20 0 FJADLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncnc3ccsc32)c1 ZINC000602619995 567998511 /nfs/dbraw/zinc/99/85/11/567998511.db2.gz TWEZLZUUIJTOHX-UHFFFAOYSA-N 1 2 367.503 4.523 20 0 FJADLO Cc1nnc([C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)c2ccccc2)[nH]1 ZINC000162661954 568002789 /nfs/dbraw/zinc/00/27/89/568002789.db2.gz PQBCJWXTJSRNBK-KSFYIVLOSA-N 1 2 369.472 4.615 20 0 FJADLO O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000602942139 568021881 /nfs/dbraw/zinc/02/18/81/568021881.db2.gz WWPGENLMUXMNLJ-NRFANRHFSA-N 1 2 360.413 4.557 20 0 FJADLO CC(C)c1ccc(CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000602735947 568026029 /nfs/dbraw/zinc/02/60/29/568026029.db2.gz OCLKQLNMXUIBAT-UHFFFAOYSA-N 1 2 360.457 4.970 20 0 FJADLO CCN1CCc2ccc(NC(=O)c3cccc(Oc4cc[nH+]cc4)c3)cc21 ZINC000602765476 568026686 /nfs/dbraw/zinc/02/66/86/568026686.db2.gz DPAAGZAPYBMNMK-UHFFFAOYSA-N 1 2 359.429 4.509 20 0 FJADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000063605242 568032869 /nfs/dbraw/zinc/03/28/69/568032869.db2.gz LJUPCIOJNZFXJG-GOSISDBHSA-N 1 2 365.304 4.693 20 0 FJADLO CCc1cc(N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)nc[nH+]1 ZINC000603384051 568094362 /nfs/dbraw/zinc/09/43/62/568094362.db2.gz RCJSJUGYHKKIBS-MRXNPFEDSA-N 1 2 363.461 4.800 20 0 FJADLO CSCc1cnc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)s1 ZINC000603424368 568096318 /nfs/dbraw/zinc/09/63/18/568096318.db2.gz PSRIVZHVGHMNCT-JTQLQIEISA-N 1 2 368.478 4.602 20 0 FJADLO CSCc1cnc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)s1 ZINC000603424382 568096331 /nfs/dbraw/zinc/09/63/31/568096331.db2.gz PSRIVZHVGHMNCT-SNVBAGLBSA-N 1 2 368.478 4.602 20 0 FJADLO COc1ccc(OCc2nc(C[NH2+]C3(c4ccccc4)CC3)cs2)cc1 ZINC000603513911 568111247 /nfs/dbraw/zinc/11/12/47/568111247.db2.gz KETZZQFGVKVZMK-UHFFFAOYSA-N 1 2 366.486 4.510 20 0 FJADLO CCc1cc(N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)nc[nH+]1 ZINC000603705851 568140647 /nfs/dbraw/zinc/14/06/47/568140647.db2.gz HUFIJDSEKFBEKA-GFCCVEGCSA-N 1 2 354.479 4.653 20 0 FJADLO O=C(NCc1ccc(Cl)o1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603858265 568169097 /nfs/dbraw/zinc/16/90/97/568169097.db2.gz PEOMGCPUTPZRDE-UHFFFAOYSA-N 1 2 363.200 4.704 20 0 FJADLO O=C(c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000603870107 568173878 /nfs/dbraw/zinc/17/38/78/568173878.db2.gz YMRHENAKPPRGQN-OAHLLOKOSA-N 1 2 368.820 4.750 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000603882054 568176432 /nfs/dbraw/zinc/17/64/32/568176432.db2.gz MNJLBBXEUJSEBG-UHFFFAOYSA-N 1 2 365.339 4.657 20 0 FJADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCOc2cccc(C(C)(C)C)c2)no1 ZINC000603932778 568183436 /nfs/dbraw/zinc/18/34/36/568183436.db2.gz DZMDRGFJTDNCQA-IBGZPJMESA-N 1 2 357.498 4.672 20 0 FJADLO Cc1nc([C@@H]2CCCC[N@H+]2CCCOc2cccc(C(C)(C)C)c2)no1 ZINC000603932778 568183437 /nfs/dbraw/zinc/18/34/37/568183437.db2.gz DZMDRGFJTDNCQA-IBGZPJMESA-N 1 2 357.498 4.672 20 0 FJADLO CCOc1cc(C[N@H+](C)Cc2csc(C(C)C)n2)ccc1OC(F)F ZINC000051706461 568190456 /nfs/dbraw/zinc/19/04/56/568190456.db2.gz HYPRLMVCDNUREP-UHFFFAOYSA-N 1 2 370.465 4.899 20 0 FJADLO CCOc1cc(C[N@@H+](C)Cc2csc(C(C)C)n2)ccc1OC(F)F ZINC000051706461 568190457 /nfs/dbraw/zinc/19/04/57/568190457.db2.gz HYPRLMVCDNUREP-UHFFFAOYSA-N 1 2 370.465 4.899 20 0 FJADLO Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1Oc1cc[nH+]cc1 ZINC000604210624 568226052 /nfs/dbraw/zinc/22/60/52/568226052.db2.gz UWCDYLMBZSEBKI-SFHVURJKSA-N 1 2 360.457 4.933 20 0 FJADLO Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1Oc1cc[nH+]cc1 ZINC000604215018 568227071 /nfs/dbraw/zinc/22/70/71/568227071.db2.gz FLZQSQMHBUZFRH-UHFFFAOYSA-N 1 2 358.441 4.644 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc2cccc(F)c2o1 ZINC000607814075 568229369 /nfs/dbraw/zinc/22/93/69/568229369.db2.gz MRPIMXYMTPXTGZ-UHFFFAOYSA-N 1 2 355.756 4.663 20 0 FJADLO Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1Oc1cc[nH+]cc1 ZINC000604220270 568230486 /nfs/dbraw/zinc/23/04/86/568230486.db2.gz LBOMSICTWOLXFJ-UHFFFAOYSA-N 1 2 370.412 4.620 20 0 FJADLO O=C(CCCn1cc[nH+]c1)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000604252188 568237544 /nfs/dbraw/zinc/23/75/44/568237544.db2.gz JMMDXQGQBSWQKF-UHFFFAOYSA-N 1 2 372.428 4.643 20 0 FJADLO Cc1cc(-c2nnc(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)o2)c(C)o1 ZINC000007496489 568237789 /nfs/dbraw/zinc/23/77/89/568237789.db2.gz ACNMTILCEMFCEP-UHFFFAOYSA-N 1 2 365.355 4.597 20 0 FJADLO Cc1cc(-c2nnc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)o2)c(C)o1 ZINC000007496489 568237790 /nfs/dbraw/zinc/23/77/90/568237790.db2.gz ACNMTILCEMFCEP-UHFFFAOYSA-N 1 2 365.355 4.597 20 0 FJADLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000007593289 568247005 /nfs/dbraw/zinc/24/70/05/568247005.db2.gz ZFWWYESEDGMNFL-IFXJQAMLSA-N 1 2 354.837 4.639 20 0 FJADLO Cc1ccc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1F ZINC000007688417 568251908 /nfs/dbraw/zinc/25/19/08/568251908.db2.gz ACCMBZZCILVEQB-UHFFFAOYSA-N 1 2 374.506 4.898 20 0 FJADLO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000525797391 568289641 /nfs/dbraw/zinc/28/96/41/568289641.db2.gz YVZKRSNNNUAVAT-YADHBBJMSA-N 1 2 359.473 4.671 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccccc1-c1cccs1 ZINC000604611860 568327430 /nfs/dbraw/zinc/32/74/30/568327430.db2.gz ICDXFOSDXILYQM-UHFFFAOYSA-N 1 2 374.469 4.923 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000604706902 568353858 /nfs/dbraw/zinc/35/38/58/568353858.db2.gz FDBJNUNSONXGNO-IRXDYDNUSA-N 1 2 366.367 4.894 20 0 FJADLO Cc1[nH+]c2cc(NC(=O)c3ccc(-c4ccccc4)nc3C)ccc2n1C ZINC000525798419 568355901 /nfs/dbraw/zinc/35/59/01/568355901.db2.gz PXEHJMFNEUAIAS-UHFFFAOYSA-N 1 2 356.429 4.504 20 0 FJADLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000604761268 568361283 /nfs/dbraw/zinc/36/12/83/568361283.db2.gz XOBFTVDPGLFPFV-LJQANCHMSA-N 1 2 365.502 4.644 20 0 FJADLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000604761268 568361284 /nfs/dbraw/zinc/36/12/84/568361284.db2.gz XOBFTVDPGLFPFV-LJQANCHMSA-N 1 2 365.502 4.644 20 0 FJADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000604761287 568361323 /nfs/dbraw/zinc/36/13/23/568361323.db2.gz ZXKSUOUHOYUCMU-FQEVSTJZSA-N 1 2 368.546 4.594 20 0 FJADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000604761287 568361324 /nfs/dbraw/zinc/36/13/24/568361324.db2.gz ZXKSUOUHOYUCMU-FQEVSTJZSA-N 1 2 368.546 4.594 20 0 FJADLO CC[C@H](C)[C@@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1ccccc1 ZINC000604867490 568380496 /nfs/dbraw/zinc/38/04/96/568380496.db2.gz IOQGRHYYFOHFDD-RYGJVYDSSA-N 1 2 374.475 4.514 20 0 FJADLO Cc1cc(N[C@H](Cc2ccccc2)c2cccs2)nc(-c2ccncc2)[nH+]1 ZINC000604883570 568384258 /nfs/dbraw/zinc/38/42/58/568384258.db2.gz LLOYGNRCEVUMSB-LJQANCHMSA-N 1 2 372.497 4.726 20 0 FJADLO CCCC[C@H](CC)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000604936881 568400838 /nfs/dbraw/zinc/40/08/38/568400838.db2.gz UCBBDGFUBFCCKG-HNAYVOBHSA-N 1 2 361.917 4.886 20 0 FJADLO CCc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)c1CC ZINC000432583347 568453425 /nfs/dbraw/zinc/45/34/25/568453425.db2.gz GWEWUUBLPYECGV-LJQANCHMSA-N 1 2 354.498 4.787 20 0 FJADLO Cc1cc(Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)nc(C)[nH+]1 ZINC000432932895 568477872 /nfs/dbraw/zinc/47/78/72/568477872.db2.gz KZAHNBLWOOAVLJ-UHFFFAOYSA-N 1 2 362.220 4.726 20 0 FJADLO CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000521438052 568509634 /nfs/dbraw/zinc/50/96/34/568509634.db2.gz MQQAENBTWFFNIG-GOSISDBHSA-N 1 2 355.482 4.673 20 0 FJADLO C[N@H+](Cc1coc(-c2cccs2)n1)Cc1ccc(Br)cc1 ZINC000007443521 568511550 /nfs/dbraw/zinc/51/15/50/568511550.db2.gz ZZKPDGVPZXANLG-UHFFFAOYSA-N 1 2 363.280 4.798 20 0 FJADLO C[N@@H+](Cc1coc(-c2cccs2)n1)Cc1ccc(Br)cc1 ZINC000007443521 568511552 /nfs/dbraw/zinc/51/15/52/568511552.db2.gz ZZKPDGVPZXANLG-UHFFFAOYSA-N 1 2 363.280 4.798 20 0 FJADLO C[C@H](c1nnc(S[C@@H]2CCC[C@@H](C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000605075688 568554062 /nfs/dbraw/zinc/55/40/62/568554062.db2.gz CJCMXOBXKOCUNP-CKEIUWERSA-N 1 2 362.518 4.700 20 0 FJADLO Cc1ccc(-c2csc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n2)c(C)c1 ZINC000605079650 568560380 /nfs/dbraw/zinc/56/03/80/568560380.db2.gz WCOIHINQBYAZEM-UHFFFAOYSA-N 1 2 374.469 4.865 20 0 FJADLO O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605128880 568575953 /nfs/dbraw/zinc/57/59/53/568575953.db2.gz QQUIBRGOIVGLII-UHFFFAOYSA-N 1 2 354.413 4.868 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000605124903 568579332 /nfs/dbraw/zinc/57/93/32/568579332.db2.gz BNRBOROTVWMIFS-UHFFFAOYSA-N 1 2 365.436 4.695 20 0 FJADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(c2cccs2)CCCCC1 ZINC000606177840 568693082 /nfs/dbraw/zinc/69/30/82/568693082.db2.gz SNAVVNAMBIQYHI-UHFFFAOYSA-N 1 2 351.475 4.774 20 0 FJADLO Clc1ccc(Cl)c([C@@H]([NH2+]Cc2ncc(C3CC3)o2)[C@H]2CCOC2)c1 ZINC000359998240 210205782 /nfs/dbraw/zinc/20/57/82/210205782.db2.gz WPBDWBSDAMMBGA-SGTLLEGYSA-N 1 2 367.276 4.726 20 0 FJADLO Clc1ccc(Cl)c([C@H]([NH2+]Cc2ncc(C3CC3)o2)[C@H]2CCOC2)c1 ZINC000359998238 210204414 /nfs/dbraw/zinc/20/44/14/210204414.db2.gz WPBDWBSDAMMBGA-KPZWWZAWSA-N 1 2 367.276 4.726 20 0 FJADLO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(F)c(F)c1 ZINC000059925768 212018798 /nfs/dbraw/zinc/01/87/98/212018798.db2.gz XLWLFNHCYLXTNY-LBPRGKRZSA-N 1 2 368.412 4.947 20 0 FJADLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000065553000 205358036 /nfs/dbraw/zinc/35/80/36/205358036.db2.gz MDMCIYIQZNHEQO-UHFFFAOYSA-N 1 2 361.376 4.739 20 0 FJADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)c(Cl)c1 ZINC000108128025 206028349 /nfs/dbraw/zinc/02/83/49/206028349.db2.gz JLCDOOBODYPCEP-GFCCVEGCSA-N 1 2 352.812 4.558 20 0 FJADLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cc(F)ccc2F)c(Cl)c1 ZINC000108128025 206028352 /nfs/dbraw/zinc/02/83/52/206028352.db2.gz JLCDOOBODYPCEP-GFCCVEGCSA-N 1 2 352.812 4.558 20 0 FJADLO CCOc1ccc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)cc1 ZINC000108315943 206029659 /nfs/dbraw/zinc/02/96/59/206029659.db2.gz NCBAOWTYNUIFQG-UHFFFAOYSA-N 1 2 361.445 4.537 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000108577073 206034852 /nfs/dbraw/zinc/03/48/52/206034852.db2.gz LTJOSIULTKGULP-UHFFFAOYSA-N 1 2 374.419 4.624 20 0 FJADLO Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000110226034 206073270 /nfs/dbraw/zinc/07/32/70/206073270.db2.gz IAOWAITXRPITQR-UHFFFAOYSA-N 1 2 369.783 4.972 20 0 FJADLO Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)cc(C)[nH+]c3C)c12 ZINC000097040399 222153916 /nfs/dbraw/zinc/15/39/16/222153916.db2.gz BWTWOBBEKAQCOB-UHFFFAOYSA-N 1 2 372.428 4.771 20 0 FJADLO C[N@H+](Cc1ccc(Br)cn1)Cc1ccc(Cl)cc1Cl ZINC000601757341 567828853 /nfs/dbraw/zinc/82/88/53/567828853.db2.gz AHKVZNWBLRAFFI-UHFFFAOYSA-N 1 2 360.082 4.783 20 0 FJADLO C[N@@H+](Cc1ccc(Br)cn1)Cc1ccc(Cl)cc1Cl ZINC000601757341 567828854 /nfs/dbraw/zinc/82/88/54/567828854.db2.gz AHKVZNWBLRAFFI-UHFFFAOYSA-N 1 2 360.082 4.783 20 0 FJADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)o1 ZINC000601863997 567866932 /nfs/dbraw/zinc/86/69/32/567866932.db2.gz RUDKIEOOHOSBBG-AUUYWEPGSA-N 1 2 363.417 4.912 20 0 FJADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000601942425 567881900 /nfs/dbraw/zinc/88/19/00/567881900.db2.gz RNWUEFRBFQDBBO-NWDGAFQWSA-N 1 2 358.825 4.680 20 0 FJADLO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000601942423 567881939 /nfs/dbraw/zinc/88/19/39/567881939.db2.gz RNWUEFRBFQDBBO-NEPJUHHUSA-N 1 2 358.825 4.680 20 0 FJADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cc2ccccc2o1 ZINC000186470459 567931745 /nfs/dbraw/zinc/93/17/45/567931745.db2.gz ATCRPQOTDHHXCJ-CYBMUJFWSA-N 1 2 366.852 4.733 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1cn[nH]c1-c1ccsc1 ZINC000186846241 567991849 /nfs/dbraw/zinc/99/18/49/567991849.db2.gz OERWLEJZZUPVHO-UHFFFAOYSA-N 1 2 362.414 4.578 20 0 FJADLO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187023642 568002422 /nfs/dbraw/zinc/00/24/22/568002422.db2.gz LZECUYBRPFZRNC-UWVGGRQHSA-N 1 2 371.225 4.543 20 0 FJADLO CCS[C@H](C)c1noc(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)n1 ZINC000602859518 568003405 /nfs/dbraw/zinc/00/34/05/568003405.db2.gz CWYDJBZLRKQWSU-CQSZACIVSA-N 1 2 370.522 4.524 20 0 FJADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ncc(Br)cc1F ZINC000186920300 568010568 /nfs/dbraw/zinc/01/05/68/568010568.db2.gz CRNIEYIVEYUXPA-DTWKUNHWSA-N 1 2 359.189 4.673 20 0 FJADLO Cc1ccccc1[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CCC(C)CC1 ZINC000602715700 568020022 /nfs/dbraw/zinc/02/00/22/568020022.db2.gz MZPULRNPCMENMG-FQVRHNBASA-N 1 2 353.510 4.656 20 0 FJADLO CC(C)(CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)c1ccccc1 ZINC000602754217 568031024 /nfs/dbraw/zinc/03/10/24/568031024.db2.gz RKANXRYRHBBVJJ-UHFFFAOYSA-N 1 2 360.457 4.972 20 0 FJADLO CC1(C)C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1c1cccnc1 ZINC000644835533 568034033 /nfs/dbraw/zinc/03/40/33/568034033.db2.gz URPILTIAPILPES-HXUWFJFHSA-N 1 2 366.896 4.563 20 0 FJADLO CC1(C)C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1c1cccnc1 ZINC000644835533 568034034 /nfs/dbraw/zinc/03/40/34/568034034.db2.gz URPILTIAPILPES-HXUWFJFHSA-N 1 2 366.896 4.563 20 0 FJADLO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000644836463 568067940 /nfs/dbraw/zinc/06/79/40/568067940.db2.gz DFJWONCRBZXSHK-UHFFFAOYSA-N 1 2 361.314 4.503 20 0 FJADLO Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000522761294 568069566 /nfs/dbraw/zinc/06/95/66/568069566.db2.gz MNKIGPFMGNSBGK-UHFFFAOYSA-N 1 2 360.442 4.557 20 0 FJADLO Cc1csc(-c2cccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)c2)n1 ZINC000120373913 568087682 /nfs/dbraw/zinc/08/76/82/568087682.db2.gz UUJVBQCGQRGEQU-UHFFFAOYSA-N 1 2 360.442 4.761 20 0 FJADLO Cc1ccccc1[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCC[C@H](C)C1 ZINC000603449808 568099263 /nfs/dbraw/zinc/09/92/63/568099263.db2.gz LYPBRDCZPWYKIN-LQBOVUBWSA-N 1 2 353.510 4.656 20 0 FJADLO Cc1ccccc1[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCC[C@@H](C)C1 ZINC000603449811 568099302 /nfs/dbraw/zinc/09/93/02/568099302.db2.gz LYPBRDCZPWYKIN-ZWCUEREDSA-N 1 2 353.510 4.656 20 0 FJADLO CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808550 568142865 /nfs/dbraw/zinc/14/28/65/568142865.db2.gz GNRBNDAVVIJFEM-UHFFFAOYSA-N 1 2 363.442 4.714 20 0 FJADLO Cc1cc(C)c(NC(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)c(C)[nH+]1 ZINC000563098620 568149370 /nfs/dbraw/zinc/14/93/70/568149370.db2.gz ZVLMHDKXEVGRBO-NRFANRHFSA-N 1 2 355.457 4.775 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000603785888 568162210 /nfs/dbraw/zinc/16/22/10/568162210.db2.gz NERPOHABUPIQOC-UHFFFAOYSA-N 1 2 373.256 4.624 20 0 FJADLO Cn1cc[nH+]c1[C@@H](NC(=O)CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000008118081 568165998 /nfs/dbraw/zinc/16/59/98/568165998.db2.gz AGOBBUFWXBNJAG-IBGZPJMESA-N 1 2 359.901 4.640 20 0 FJADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881534 568176361 /nfs/dbraw/zinc/17/63/61/568176361.db2.gz DJRKTWKZDNOEMO-SNVBAGLBSA-N 1 2 366.273 4.760 20 0 FJADLO O=C(Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1)[C@@H]1CCC(F)(F)C1 ZINC000644842685 568182918 /nfs/dbraw/zinc/18/29/18/568182918.db2.gz GPFGPZUCHKZLMW-CQSZACIVSA-N 1 2 355.388 4.528 20 0 FJADLO COc1ccc(C[N@H+](C)Cc2csc(C(C)C)n2)cc1OC(F)F ZINC000051709592 568191465 /nfs/dbraw/zinc/19/14/65/568191465.db2.gz WWCWICBOJVYERO-UHFFFAOYSA-N 1 2 356.438 4.509 20 0 FJADLO COc1ccc(C[N@@H+](C)Cc2csc(C(C)C)n2)cc1OC(F)F ZINC000051709592 568191466 /nfs/dbraw/zinc/19/14/66/568191466.db2.gz WWCWICBOJVYERO-UHFFFAOYSA-N 1 2 356.438 4.509 20 0 FJADLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)cs1)C1CC1 ZINC000604047178 568200867 /nfs/dbraw/zinc/20/08/67/568200867.db2.gz GQBCVCATWXYIQQ-UHFFFAOYSA-N 1 2 371.550 4.807 20 0 FJADLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1(c2cccc(F)c2)CC1 ZINC000604211763 568226257 /nfs/dbraw/zinc/22/62/57/568226257.db2.gz ILVGAPRMAZJCGA-UHFFFAOYSA-N 1 2 363.436 4.572 20 0 FJADLO Cc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1Oc1cc[nH+]cc1 ZINC000604211949 568226350 /nfs/dbraw/zinc/22/63/50/568226350.db2.gz DDZBWQQOEGDAAJ-UHFFFAOYSA-N 1 2 350.393 4.594 20 0 FJADLO CCOc1ccc(CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)cc1 ZINC000604216036 568227274 /nfs/dbraw/zinc/22/72/74/568227274.db2.gz QMUVRPZAVFAURX-UHFFFAOYSA-N 1 2 362.429 4.511 20 0 FJADLO Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1Oc1cc[nH+]cc1 ZINC000604228490 568230053 /nfs/dbraw/zinc/23/00/53/568230053.db2.gz VESXQUGRBNGYEP-UHFFFAOYSA-N 1 2 360.413 4.760 20 0 FJADLO Cc1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604314403 568245742 /nfs/dbraw/zinc/24/57/42/568245742.db2.gz GIJHIXUNZWVAPY-OXJNMPFZSA-N 1 2 368.477 4.507 20 0 FJADLO Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1Oc1cc[nH+]cc1 ZINC000604306757 568247507 /nfs/dbraw/zinc/24/75/07/568247507.db2.gz FXOQZWFNTJFDQI-UHFFFAOYSA-N 1 2 371.440 4.636 20 0 FJADLO CC(=O)Nc1nc(C[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000303299046 568265259 /nfs/dbraw/zinc/26/52/59/568265259.db2.gz YNSUXZGUHPMHES-AWEZNQCLSA-N 1 2 365.502 4.980 20 0 FJADLO CC(=O)Nc1nc(C[N@H+]([C@@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000303299046 568265260 /nfs/dbraw/zinc/26/52/60/568265260.db2.gz YNSUXZGUHPMHES-AWEZNQCLSA-N 1 2 365.502 4.980 20 0 FJADLO CCc1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000303334717 568266552 /nfs/dbraw/zinc/26/65/52/568266552.db2.gz XQJAADMNBBFBTE-UHFFFAOYSA-N 1 2 358.489 4.560 20 0 FJADLO Brc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cs1 ZINC000303632445 568268160 /nfs/dbraw/zinc/26/81/60/568268160.db2.gz FSSVIIUNQIPRSL-CQSZACIVSA-N 1 2 354.338 4.801 20 0 FJADLO Brc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cs1 ZINC000303632445 568268162 /nfs/dbraw/zinc/26/81/62/568268162.db2.gz FSSVIIUNQIPRSL-CQSZACIVSA-N 1 2 354.338 4.801 20 0 FJADLO Fc1cccc(F)c1-c1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)o1 ZINC000604415380 568280819 /nfs/dbraw/zinc/28/08/19/568280819.db2.gz BSJLHZYINFFBFW-UHFFFAOYSA-N 1 2 365.383 4.700 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cc(Cl)ccc1Cl ZINC000604424310 568282586 /nfs/dbraw/zinc/28/25/86/568282586.db2.gz YAYFCQINNQTWIX-UHFFFAOYSA-N 1 2 361.232 4.501 20 0 FJADLO COc1ccc(-c2cnc(C[N@@H+]3CCSC[C@H]3c3ccccc3)o2)cc1 ZINC000604394412 568284369 /nfs/dbraw/zinc/28/43/69/568284369.db2.gz GQYFJGHJONJJDO-IBGZPJMESA-N 1 2 366.486 4.640 20 0 FJADLO COc1ccc(-c2cnc(C[N@H+]3CCSC[C@H]3c3ccccc3)o2)cc1 ZINC000604394412 568284370 /nfs/dbraw/zinc/28/43/70/568284370.db2.gz GQYFJGHJONJJDO-IBGZPJMESA-N 1 2 366.486 4.640 20 0 FJADLO CC[C@@H](CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1)C(C)C ZINC000303537339 568290911 /nfs/dbraw/zinc/29/09/11/568290911.db2.gz SXLAMQREDQIPJK-KRWDZBQOSA-N 1 2 359.539 4.786 20 0 FJADLO CC[C@@H](CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)C(C)C ZINC000303537339 568290912 /nfs/dbraw/zinc/29/09/12/568290912.db2.gz SXLAMQREDQIPJK-KRWDZBQOSA-N 1 2 359.539 4.786 20 0 FJADLO C[C@H](CCC1CCCCC1)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000604576116 568315829 /nfs/dbraw/zinc/31/58/29/568315829.db2.gz NSBBXYINSISZCF-XLIONFOSSA-N 1 2 368.525 4.558 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000604706900 568353824 /nfs/dbraw/zinc/35/38/24/568353824.db2.gz FDBJNUNSONXGNO-DLBZAZTESA-N 1 2 366.367 4.894 20 0 FJADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000604761288 568361296 /nfs/dbraw/zinc/36/12/96/568361296.db2.gz ZXKSUOUHOYUCMU-HXUWFJFHSA-N 1 2 368.546 4.594 20 0 FJADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000604761288 568361297 /nfs/dbraw/zinc/36/12/97/568361297.db2.gz ZXKSUOUHOYUCMU-HXUWFJFHSA-N 1 2 368.546 4.594 20 0 FJADLO Cc1cc(N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000604757166 568365184 /nfs/dbraw/zinc/36/51/84/568365184.db2.gz XAGFVZPJTAWZQI-MRXNPFEDSA-N 1 2 372.472 4.510 20 0 FJADLO CC[C@H](C)[C@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)c1ccccc1 ZINC000604867491 568380428 /nfs/dbraw/zinc/38/04/28/568380428.db2.gz IOQGRHYYFOHFDD-YSSFQJQWSA-N 1 2 374.475 4.514 20 0 FJADLO CC[C@H](C)[C@@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)c1ccccc1 ZINC000604867489 568380479 /nfs/dbraw/zinc/38/04/79/568380479.db2.gz IOQGRHYYFOHFDD-CWFSZBLJSA-N 1 2 374.475 4.514 20 0 FJADLO CC(C)(C)c1ccc(-c2nnc(SCc3cn4ccccc4[nH+]3)o2)cc1 ZINC000005174932 568380615 /nfs/dbraw/zinc/38/06/15/568380615.db2.gz OVJXGTHMIHFCRK-UHFFFAOYSA-N 1 2 364.474 4.974 20 0 FJADLO FC(F)(F)c1cccc(OCCCC[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000604903440 568385547 /nfs/dbraw/zinc/38/55/47/568385547.db2.gz QWRYQDQDGHVJLL-QGZVFWFLSA-N 1 2 369.383 4.531 20 0 FJADLO FC(F)(F)c1cccc(OCCCC[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000604903440 568385548 /nfs/dbraw/zinc/38/55/48/568385548.db2.gz QWRYQDQDGHVJLL-QGZVFWFLSA-N 1 2 369.383 4.531 20 0 FJADLO CN(C(=O)Nc1ccccc1C(C)(C)C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365287621 568413184 /nfs/dbraw/zinc/41/31/84/568413184.db2.gz XXDATVJLOKNMAR-UHFFFAOYSA-N 1 2 366.509 4.512 20 0 FJADLO Cc1cc(CNC(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000643260507 568423570 /nfs/dbraw/zinc/42/35/70/568423570.db2.gz QLHGXLZBDZZSTC-UHFFFAOYSA-N 1 2 373.325 4.674 20 0 FJADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N(CC1CCCCC1)C1CC1 ZINC000644853925 568440898 /nfs/dbraw/zinc/44/08/98/568440898.db2.gz JWZQBLXBMUIJFQ-FQEVSTJZSA-N 1 2 351.494 4.503 20 0 FJADLO Cc1ccccc1N1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000007240468 568481297 /nfs/dbraw/zinc/48/12/97/568481297.db2.gz QMVQFYZACUJZQJ-UHFFFAOYSA-N 1 2 355.532 4.502 20 0 FJADLO CC(=O)Nc1nc(C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)cs1 ZINC000605026420 568531237 /nfs/dbraw/zinc/53/12/37/568531237.db2.gz UYYIPKNVTKJUCZ-KRWDZBQOSA-N 1 2 363.914 4.872 20 0 FJADLO CC(=O)Nc1nc(C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)cs1 ZINC000605026420 568531239 /nfs/dbraw/zinc/53/12/39/568531239.db2.gz UYYIPKNVTKJUCZ-KRWDZBQOSA-N 1 2 363.914 4.872 20 0 FJADLO Fc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccc(F)c(F)c2)cc1 ZINC000605077001 568554742 /nfs/dbraw/zinc/55/47/42/568554742.db2.gz SINGYTUMIKLMEU-UHFFFAOYSA-N 1 2 372.375 4.525 20 0 FJADLO O=C(Nc1ccccc1N1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605081525 568556785 /nfs/dbraw/zinc/55/67/85/568556785.db2.gz KGTRVRLMKZGSNH-UHFFFAOYSA-N 1 2 360.461 4.505 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000605082694 568557704 /nfs/dbraw/zinc/55/77/04/568557704.db2.gz LSDXWWOACICATC-QFIPXVFZSA-N 1 2 357.457 4.555 20 0 FJADLO O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605094483 568562744 /nfs/dbraw/zinc/56/27/44/568562744.db2.gz AEPKSEVNGACXKS-MDZDMXLPSA-N 1 2 372.453 4.752 20 0 FJADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605155543 568600631 /nfs/dbraw/zinc/60/06/31/568600631.db2.gz UMXKGGMNVPSYPQ-SFHVURJKSA-N 1 2 374.937 4.685 20 0 FJADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605155543 568600632 /nfs/dbraw/zinc/60/06/32/568600632.db2.gz UMXKGGMNVPSYPQ-SFHVURJKSA-N 1 2 374.937 4.685 20 0 FJADLO CC[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1 ZINC000606164552 568682783 /nfs/dbraw/zinc/68/27/83/568682783.db2.gz MSPVAUQUYYFQRE-GCJKJVERSA-N 1 2 361.489 4.518 20 0 FJADLO Cc1ccccc1SCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000065024568 571309166 /nfs/dbraw/zinc/30/91/66/571309166.db2.gz FMNCRWOPBFFOOB-UHFFFAOYSA-N 1 2 350.443 4.913 20 0 FJADLO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1cccc(Cl)c1Cl ZINC000052803167 221040464 /nfs/dbraw/zinc/04/04/64/221040464.db2.gz PMMKIFLTLPNAJO-AWEZNQCLSA-N 1 2 355.290 4.831 20 0 FJADLO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1cccc(Cl)c1Cl ZINC000052803167 221040467 /nfs/dbraw/zinc/04/04/67/221040467.db2.gz PMMKIFLTLPNAJO-AWEZNQCLSA-N 1 2 355.290 4.831 20 0 FJADLO Cc1cccc(-c2nc(CC(=O)Nc3c(C)cc(C)[nH+]c3C)cs2)c1 ZINC000097040307 222153616 /nfs/dbraw/zinc/15/36/16/222153616.db2.gz AZOAMKWYPXWFHU-UHFFFAOYSA-N 1 2 351.475 4.620 20 0 FJADLO COc1ccc2cc(C(=O)Nc3cccc(Oc4cc[nH+]cc4)c3)[nH]c2c1 ZINC000601731783 567820252 /nfs/dbraw/zinc/82/02/52/567820252.db2.gz DAVYQCDTZFONBY-UHFFFAOYSA-N 1 2 359.385 4.616 20 0 FJADLO Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(Oc3cc[nH+]cc3)c1)CC2 ZINC000601866169 567867696 /nfs/dbraw/zinc/86/76/96/567867696.db2.gz NNHYXDQLUFUAKP-OAQYLSRUSA-N 1 2 359.429 4.991 20 0 FJADLO C[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)c1cc(Cl)ccc1Cl ZINC000186183607 567890592 /nfs/dbraw/zinc/89/05/92/567890592.db2.gz XGCIIQSWGCBVQQ-SECBINFHSA-N 1 2 354.262 4.956 20 0 FJADLO COc1cc(-c2nc(C[N@H+](Cc3ccc(C)o3)C3CC3)cs2)ccc1O ZINC000602238505 567954706 /nfs/dbraw/zinc/95/47/06/567954706.db2.gz GYBMPXIHVJBMHM-UHFFFAOYSA-N 1 2 370.474 4.590 20 0 FJADLO COc1cc(-c2nc(C[N@@H+](Cc3ccc(C)o3)C3CC3)cs2)ccc1O ZINC000602238505 567954708 /nfs/dbraw/zinc/95/47/08/567954708.db2.gz GYBMPXIHVJBMHM-UHFFFAOYSA-N 1 2 370.474 4.590 20 0 FJADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000521426260 568012747 /nfs/dbraw/zinc/01/27/47/568012747.db2.gz NFQLWQSOFPGHAG-IRXDYDNUSA-N 1 2 366.505 4.594 20 0 FJADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000521426260 568012750 /nfs/dbraw/zinc/01/27/50/568012750.db2.gz NFQLWQSOFPGHAG-IRXDYDNUSA-N 1 2 366.505 4.594 20 0 FJADLO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000522760561 568066536 /nfs/dbraw/zinc/06/65/36/568066536.db2.gz OTVCPOXZUJVPAV-QGZVFWFLSA-N 1 2 372.255 4.596 20 0 FJADLO CCc1cc(N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)nc[nH+]1 ZINC000603380323 568093988 /nfs/dbraw/zinc/09/39/88/568093988.db2.gz BIUPDFCZVFYDLT-HXUWFJFHSA-N 1 2 351.425 4.583 20 0 FJADLO O=C(CCCn1cc[nH+]c1)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000603457640 568104625 /nfs/dbraw/zinc/10/46/25/568104625.db2.gz BJRGFOKERCLILF-UHFFFAOYSA-N 1 2 372.428 4.643 20 0 FJADLO C[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000603513923 568111267 /nfs/dbraw/zinc/11/12/67/568111267.db2.gz MJHLZAQSCUIDPZ-SECBINFHSA-N 1 2 355.276 4.773 20 0 FJADLO Cc1ccc(-c2nc(C[NH2+]C(C)(C)C(=O)Nc3ccccc3)cs2)cc1 ZINC000603513810 568111301 /nfs/dbraw/zinc/11/13/01/568111301.db2.gz CEVVXCREUQJOBB-UHFFFAOYSA-N 1 2 365.502 4.625 20 0 FJADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](c4ccccc4)C3)o2)cc1 ZINC000522775895 568132023 /nfs/dbraw/zinc/13/20/23/568132023.db2.gz KTALPRGYSCYNDC-FUHIMQAGSA-N 1 2 363.461 4.568 20 0 FJADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@@H](C)O[C@@H](c4ccccc4)C3)o2)cc1 ZINC000522775895 568132024 /nfs/dbraw/zinc/13/20/24/568132024.db2.gz KTALPRGYSCYNDC-FUHIMQAGSA-N 1 2 363.461 4.568 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000603784816 568139410 /nfs/dbraw/zinc/13/94/10/568139410.db2.gz AEUVNJMZEXLCCA-FQEVSTJZSA-N 1 2 359.454 4.806 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(CSc2ccccc2)cc1 ZINC000603885140 568176921 /nfs/dbraw/zinc/17/69/21/568176921.db2.gz REISKTFFIBPCAD-UHFFFAOYSA-N 1 2 359.454 4.879 20 0 FJADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000008120250 568189315 /nfs/dbraw/zinc/18/93/15/568189315.db2.gz IMMBBDUIHPAKDW-UHFFFAOYSA-N 1 2 355.240 4.511 20 0 FJADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000008120250 568189316 /nfs/dbraw/zinc/18/93/16/568189316.db2.gz IMMBBDUIHPAKDW-UHFFFAOYSA-N 1 2 355.240 4.511 20 0 FJADLO Cc1ccc(C(=O)N(C)Cc2ccccc2F)cc1Oc1cc[nH+]cc1 ZINC000604212062 568226424 /nfs/dbraw/zinc/22/64/24/568226424.db2.gz QAJKWUYHZNKCRK-UHFFFAOYSA-N 1 2 350.393 4.594 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1Oc1cc[nH+]cc1 ZINC000604213098 568226672 /nfs/dbraw/zinc/22/66/72/568226672.db2.gz UMHPQXKRPYZARE-CQSZACIVSA-N 1 2 368.383 4.952 20 0 FJADLO Cc1ccccc1C[C@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604222396 568228384 /nfs/dbraw/zinc/22/83/84/568228384.db2.gz WLOBGXRVKBLFAY-SFHVURJKSA-N 1 2 360.457 4.852 20 0 FJADLO Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604222395 568228399 /nfs/dbraw/zinc/22/83/99/568228399.db2.gz WLOBGXRVKBLFAY-GOSISDBHSA-N 1 2 360.457 4.852 20 0 FJADLO Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000604224004 568228811 /nfs/dbraw/zinc/22/88/11/568228811.db2.gz JYUMQFLELWTARC-HXUWFJFHSA-N 1 2 350.462 4.977 20 0 FJADLO Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1Oc1cc[nH+]cc1 ZINC000604226367 568229548 /nfs/dbraw/zinc/22/95/48/568229548.db2.gz LPXKESSFLBAIQX-ZVBHREPYSA-N 1 2 362.473 4.833 20 0 FJADLO Cc1ccc(C(=O)Nc2cccnc2OC(C)C)cc1Oc1cc[nH+]cc1 ZINC000604220867 568230678 /nfs/dbraw/zinc/23/06/78/568230678.db2.gz GEBQCPSVPBBOBJ-UHFFFAOYSA-N 1 2 363.417 4.617 20 0 FJADLO Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1Oc1cc[nH+]cc1 ZINC000604222182 568231006 /nfs/dbraw/zinc/23/10/06/568231006.db2.gz AGPTUJPXASBYDX-KXBFYZLASA-N 1 2 362.429 4.829 20 0 FJADLO Cc1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000604314405 568245721 /nfs/dbraw/zinc/24/57/21/568245721.db2.gz GIJHIXUNZWVAPY-UZLBHIALSA-N 1 2 368.477 4.507 20 0 FJADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000303141614 568253182 /nfs/dbraw/zinc/25/31/82/568253182.db2.gz MEUINWMBVZSWEU-CYBMUJFWSA-N 1 2 370.449 4.871 20 0 FJADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000303141614 568253183 /nfs/dbraw/zinc/25/31/83/568253183.db2.gz MEUINWMBVZSWEU-CYBMUJFWSA-N 1 2 370.449 4.871 20 0 FJADLO CC(C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000604334170 568259125 /nfs/dbraw/zinc/25/91/25/568259125.db2.gz HYVUZWAYADAKBE-HXUWFJFHSA-N 1 2 367.880 4.712 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000604394392 568284356 /nfs/dbraw/zinc/28/43/56/568284356.db2.gz DXUPGCYBGMYEMC-HXUWFJFHSA-N 1 2 368.546 4.713 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000604394392 568284357 /nfs/dbraw/zinc/28/43/57/568284357.db2.gz DXUPGCYBGMYEMC-HXUWFJFHSA-N 1 2 368.546 4.713 20 0 FJADLO Clc1ccc(-c2noc(C[N@@H+]3CCSC[C@H]3c3ccccc3)n2)cc1 ZINC000604394552 568284553 /nfs/dbraw/zinc/28/45/53/568284553.db2.gz ODWYVMNAHKVEMO-KRWDZBQOSA-N 1 2 371.893 4.680 20 0 FJADLO Clc1ccc(-c2noc(C[N@H+]3CCSC[C@H]3c3ccccc3)n2)cc1 ZINC000604394552 568284554 /nfs/dbraw/zinc/28/45/54/568284554.db2.gz ODWYVMNAHKVEMO-KRWDZBQOSA-N 1 2 371.893 4.680 20 0 FJADLO Fc1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3c3ccccc3)co2)cc1F ZINC000604395280 568284765 /nfs/dbraw/zinc/28/47/65/568284765.db2.gz IHUWCXNGUHRAKQ-IBGZPJMESA-N 1 2 372.440 4.910 20 0 FJADLO Fc1ccc(-c2nc(C[N@H+]3CCSC[C@H]3c3ccccc3)co2)cc1F ZINC000604395280 568284766 /nfs/dbraw/zinc/28/47/66/568284766.db2.gz IHUWCXNGUHRAKQ-IBGZPJMESA-N 1 2 372.440 4.910 20 0 FJADLO FC(F)(F)c1ccc(-n2ccnc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000303542888 568291411 /nfs/dbraw/zinc/29/14/11/568291411.db2.gz YUNRNJIATMTIGQ-UHFFFAOYSA-N 1 2 374.391 4.831 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000604395365 568294920 /nfs/dbraw/zinc/29/49/20/568294920.db2.gz PXEHKHXCHFDDNE-HXUWFJFHSA-N 1 2 354.519 4.539 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000604395365 568294921 /nfs/dbraw/zinc/29/49/21/568294921.db2.gz PXEHKHXCHFDDNE-HXUWFJFHSA-N 1 2 354.519 4.539 20 0 FJADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)CCC2CCCCC2)c1C ZINC000604663171 568342128 /nfs/dbraw/zinc/34/21/28/568342128.db2.gz OXCFVFKUUMKRFN-MRXNPFEDSA-N 1 2 361.530 4.597 20 0 FJADLO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000604670308 568344882 /nfs/dbraw/zinc/34/48/82/568344882.db2.gz GFGKJCUJYAAIDO-SFHVURJKSA-N 1 2 360.546 4.684 20 0 FJADLO Cc1cccc(Oc2ccccc2C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000604773453 568363767 /nfs/dbraw/zinc/36/37/67/568363767.db2.gz JHQBANBYXJDPKD-QHCPKHFHSA-N 1 2 374.484 4.706 20 0 FJADLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cc(Cl)ccc1Cl ZINC000319726893 568368265 /nfs/dbraw/zinc/36/82/65/568368265.db2.gz QJELBHFRVBUYCK-NEPJUHHUSA-N 1 2 353.297 4.723 20 0 FJADLO CC[C@H](C)[C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000604861330 568379285 /nfs/dbraw/zinc/37/92/85/568379285.db2.gz XMWVBZYSHUTFLV-AVRDEDQJSA-N 1 2 365.521 4.518 20 0 FJADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000315193083 568384578 /nfs/dbraw/zinc/38/45/78/568384578.db2.gz KWRBUVQYPKEDEC-ZDUSSCGKSA-N 1 2 364.283 4.793 20 0 FJADLO FC(F)(F)c1ccccc1OCCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000604903231 568385465 /nfs/dbraw/zinc/38/54/65/568385465.db2.gz AWGSZPLHUWQEMD-INIZCTEOSA-N 1 2 369.383 4.531 20 0 FJADLO FC(F)(F)c1ccccc1OCCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000604903231 568385466 /nfs/dbraw/zinc/38/54/66/568385466.db2.gz AWGSZPLHUWQEMD-INIZCTEOSA-N 1 2 369.383 4.531 20 0 FJADLO Cc1ccc(Nc2nnc(SCc3cn4ccccc4[nH+]3)s2)cc1 ZINC000005624261 568391525 /nfs/dbraw/zinc/39/15/25/568391525.db2.gz XULYMYXJAXNXRR-UHFFFAOYSA-N 1 2 353.476 4.530 20 0 FJADLO Cc1sc2nc(C)nc(SCc3cn4cccc(C)c4[nH+]3)c2c1C ZINC000007100035 568448276 /nfs/dbraw/zinc/44/82/76/568448276.db2.gz KIIQMNBNNAOQJW-UHFFFAOYSA-N 1 2 354.504 4.865 20 0 FJADLO CCCCn1c(SCc2ccc(CC)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000604996264 568506781 /nfs/dbraw/zinc/50/67/81/568506781.db2.gz UKDBUALBXCTTOV-GOSISDBHSA-N 1 2 360.571 4.946 20 0 FJADLO Brc1ccc(/C=C/CC[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000604998634 568512080 /nfs/dbraw/zinc/51/20/80/568512080.db2.gz MRLRCQDXGQJQRT-XMUUHYKESA-N 1 2 362.267 4.519 20 0 FJADLO Brc1ccc(/C=C/CC[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000604998634 568512079 /nfs/dbraw/zinc/51/20/79/568512079.db2.gz MRLRCQDXGQJQRT-XMUUHYKESA-N 1 2 362.267 4.519 20 0 FJADLO C[C@H]1CCC[C@@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000605075909 568554184 /nfs/dbraw/zinc/55/41/84/568554184.db2.gz VLVITWKQMOIOGG-PKOBYXMFSA-N 1 2 370.566 4.593 20 0 FJADLO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082678 568557708 /nfs/dbraw/zinc/55/77/08/568557708.db2.gz LDKIBRRVZYWPRM-CQSZACIVSA-N 1 2 373.378 4.724 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000605083069 568558047 /nfs/dbraw/zinc/55/80/47/568558047.db2.gz OOMQFZFDVVDAPG-UHFFFAOYSA-N 1 2 363.436 4.596 20 0 FJADLO Cc1ccc(-c2csc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)n2)s1 ZINC000605080100 568560732 /nfs/dbraw/zinc/56/07/32/568560732.db2.gz ZUEYRJFZJJOXRJ-UHFFFAOYSA-N 1 2 366.471 4.618 20 0 FJADLO CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000605087486 568567096 /nfs/dbraw/zinc/56/70/96/568567096.db2.gz RDAVLLWHPWWLMD-MRXNPFEDSA-N 1 2 359.429 4.842 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc2cc(F)ccc2o1 ZINC000605088963 568567661 /nfs/dbraw/zinc/56/76/61/568567661.db2.gz NPSGWZWJWZBEMZ-UHFFFAOYSA-N 1 2 355.756 4.663 20 0 FJADLO Cc1ccc(OCc2nc(C[NH2+][C@H]3CSc4ccccc43)cs2)cc1 ZINC000605166129 568594251 /nfs/dbraw/zinc/59/42/51/568594251.db2.gz SEJVXDGWMNOLGO-SFHVURJKSA-N 1 2 368.527 4.967 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153873 568597505 /nfs/dbraw/zinc/59/75/05/568597505.db2.gz CZFWAVJVOUBRBW-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153873 568597507 /nfs/dbraw/zinc/59/75/07/568597507.db2.gz CZFWAVJVOUBRBW-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153870 568597729 /nfs/dbraw/zinc/59/77/29/568597729.db2.gz CZFWAVJVOUBRBW-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153870 568597730 /nfs/dbraw/zinc/59/77/30/568597730.db2.gz CZFWAVJVOUBRBW-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO CC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(F)cc1F ZINC000606155962 568675905 /nfs/dbraw/zinc/67/59/05/568675905.db2.gz HQTKIHBIHKOWFN-SFHVURJKSA-N 1 2 365.387 4.657 20 0 FJADLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1coc(-c2ccccc2)n1 ZINC000606160586 568679473 /nfs/dbraw/zinc/67/94/73/568679473.db2.gz XNNOMYKTVAOVMF-UHFFFAOYSA-N 1 2 372.428 4.670 20 0 FJADLO CC[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1 ZINC000606164550 568682797 /nfs/dbraw/zinc/68/27/97/568682797.db2.gz MSPVAUQUYYFQRE-AVRDEDQJSA-N 1 2 361.489 4.518 20 0 FJADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(OC2CCCCC2)c1 ZINC000606177807 568693144 /nfs/dbraw/zinc/69/31/44/568693144.db2.gz PQLUTTBCLBPOQD-UHFFFAOYSA-N 1 2 361.445 4.836 20 0 FJADLO Cc1cn2cc(NC(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000606187812 568709365 /nfs/dbraw/zinc/70/93/65/568709365.db2.gz IWIBLSMMMUTJGQ-LBPRGKRZSA-N 1 2 361.367 4.794 20 0 FJADLO C[C@H](c1cccc(NC(=O)CC/C=C\c2ccccc2)c1)[NH+]1CCOCC1 ZINC000606193259 568713146 /nfs/dbraw/zinc/71/31/46/568713146.db2.gz BRAYJBGXMBYUHX-HIZXUYSRSA-N 1 2 364.489 4.512 20 0 FJADLO C[C@H]([NH2+][C@H](c1ccncc1)c1cc(F)ccc1F)c1ccc(Cl)nc1 ZINC000359973259 223141801 /nfs/dbraw/zinc/14/18/01/223141801.db2.gz KELQMPHCPXKZLP-HXPMCKFVSA-N 1 2 359.807 4.848 20 0 FJADLO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1cccc(F)c1 ZINC000108453360 209287709 /nfs/dbraw/zinc/28/77/09/209287709.db2.gz HPEMEPIZHWNNKF-LBPRGKRZSA-N 1 2 368.412 4.947 20 0 FJADLO O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000105928756 209269166 /nfs/dbraw/zinc/26/91/66/209269166.db2.gz IYPOXTVXBDPVBV-UHFFFAOYSA-N 1 2 353.425 4.721 20 0 FJADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966228 209165777 /nfs/dbraw/zinc/16/57/77/209165777.db2.gz QODGPBHKCMBGHS-SUMWQHHRSA-N 1 2 369.465 4.600 20 0 FJADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966228 209165779 /nfs/dbraw/zinc/16/57/79/209165779.db2.gz QODGPBHKCMBGHS-SUMWQHHRSA-N 1 2 369.465 4.600 20 0 FJADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000008005851 207215731 /nfs/dbraw/zinc/21/57/31/207215731.db2.gz YSVPKMKIXXUVTA-MRXNPFEDSA-N 1 2 374.912 4.733 20 0 FJADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000008005851 207215735 /nfs/dbraw/zinc/21/57/35/207215735.db2.gz YSVPKMKIXXUVTA-MRXNPFEDSA-N 1 2 374.912 4.733 20 0 FJADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000008533707 207236121 /nfs/dbraw/zinc/23/61/21/207236121.db2.gz ILEHTBSRWNLUDD-JTQLQIEISA-N 1 2 373.230 4.731 20 0 FJADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000008533707 207236123 /nfs/dbraw/zinc/23/61/23/207236123.db2.gz ILEHTBSRWNLUDD-JTQLQIEISA-N 1 2 373.230 4.731 20 0 FJADLO Cc1ccc2oc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)cc2c1 ZINC000072004412 208791841 /nfs/dbraw/zinc/79/18/41/208791841.db2.gz HPOVDVSAIRENDT-UHFFFAOYSA-N 1 2 369.490 4.682 20 0 FJADLO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(F)c(F)c1 ZINC000059925774 221127548 /nfs/dbraw/zinc/12/75/48/221127548.db2.gz XLWLFNHCYLXTNY-GFCCVEGCSA-N 1 2 368.412 4.947 20 0 FJADLO CCC[C@@H](NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)c1ccccn1 ZINC000601863805 567866898 /nfs/dbraw/zinc/86/68/98/567866898.db2.gz HJSMOLUOKVISTQ-HXUWFJFHSA-N 1 2 362.433 4.932 20 0 FJADLO Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(Oc3cc[nH+]cc3)c1)CC2 ZINC000601866154 567867741 /nfs/dbraw/zinc/86/77/41/567867741.db2.gz NNHYXDQLUFUAKP-NRFANRHFSA-N 1 2 359.429 4.991 20 0 FJADLO CC[C@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)c1nccs1 ZINC000161909569 567972189 /nfs/dbraw/zinc/97/21/89/567972189.db2.gz QDMHBDJQWXGQTJ-LBPRGKRZSA-N 1 2 351.447 4.786 20 0 FJADLO CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000186749260 567979276 /nfs/dbraw/zinc/97/92/76/567979276.db2.gz FGDKPJVUZSVYLU-UHFFFAOYSA-N 1 2 358.441 4.678 20 0 FJADLO O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCN(C2CC2)c2ccccc21 ZINC000186872832 567995216 /nfs/dbraw/zinc/99/52/16/567995216.db2.gz QGBWOGMNDMSEBS-UHFFFAOYSA-N 1 2 371.440 4.503 20 0 FJADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccc(F)cc1F ZINC000186920287 568010589 /nfs/dbraw/zinc/01/05/89/568010589.db2.gz CRNIEYIVEYUXPA-BDAKNGLRSA-N 1 2 359.189 4.673 20 0 FJADLO CCCCOc1ncccc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602910115 568011039 /nfs/dbraw/zinc/01/10/39/568011039.db2.gz IPRKOYDNMMMDNO-UHFFFAOYSA-N 1 2 370.827 4.805 20 0 FJADLO CC(C)Sc1ccc([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000522759951 568063020 /nfs/dbraw/zinc/06/30/20/568063020.db2.gz DKRBZFFZCUAAJE-MRXNPFEDSA-N 1 2 365.502 4.864 20 0 FJADLO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000522760560 568066576 /nfs/dbraw/zinc/06/65/76/568066576.db2.gz OTVCPOXZUJVPAV-KRWDZBQOSA-N 1 2 372.255 4.596 20 0 FJADLO Fc1cc(Br)ccc1[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000067505535 568076327 /nfs/dbraw/zinc/07/63/27/568076327.db2.gz SSYUEACKTVOECU-IBGZPJMESA-N 1 2 371.253 4.862 20 0 FJADLO O=C(Nc1ccc(Cl)cc1-n1cccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522761674 568076557 /nfs/dbraw/zinc/07/65/57/568076557.db2.gz KDSZTGKXTLVEGC-UHFFFAOYSA-N 1 2 362.820 4.569 20 0 FJADLO Cc1ccccc1[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C)C1 ZINC000603449810 568099237 /nfs/dbraw/zinc/09/92/37/568099237.db2.gz LYPBRDCZPWYKIN-SFGWALBWSA-N 1 2 353.510 4.656 20 0 FJADLO Cc1ccc(OCc2nc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)cs2)cc1 ZINC000603513769 568111310 /nfs/dbraw/zinc/11/13/10/568111310.db2.gz CMEJQESGAGRMMI-MRXNPFEDSA-N 1 2 370.522 4.659 20 0 FJADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cncc(Br)c1 ZINC000603555957 568116643 /nfs/dbraw/zinc/11/66/43/568116643.db2.gz AHTZUWVBONWYQH-KRWDZBQOSA-N 1 2 361.283 4.580 20 0 FJADLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000603555957 568116644 /nfs/dbraw/zinc/11/66/44/568116644.db2.gz AHTZUWVBONWYQH-KRWDZBQOSA-N 1 2 361.283 4.580 20 0 FJADLO CCCN(CC(F)(F)F)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603827689 568152940 /nfs/dbraw/zinc/15/29/40/568152940.db2.gz BJFWIESOPKQHAV-UHFFFAOYSA-N 1 2 372.774 4.942 20 0 FJADLO CC(=O)N(c1nc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)cs1)C1CC1 ZINC000604040788 568202908 /nfs/dbraw/zinc/20/29/08/568202908.db2.gz ILDHYZQFEQIXLL-UHFFFAOYSA-N 1 2 371.550 4.588 20 0 FJADLO CC(=O)N(c1nc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)cs1)C1CC1 ZINC000604040788 568202909 /nfs/dbraw/zinc/20/29/09/568202909.db2.gz ILDHYZQFEQIXLL-UHFFFAOYSA-N 1 2 371.550 4.588 20 0 FJADLO c1coc(COCc2cccc(NCc3[nH+]ccn3Cc3ccccc3)c2)c1 ZINC000604066487 568205563 /nfs/dbraw/zinc/20/55/63/568205563.db2.gz ZICNWDVJYXYZQC-UHFFFAOYSA-N 1 2 373.456 4.853 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)Cc2ccsc2)cc1Oc1cc[nH+]cc1 ZINC000604224060 568228879 /nfs/dbraw/zinc/22/88/79/568228879.db2.gz OYWPQSKLYIJATH-OAHLLOKOSA-N 1 2 352.459 4.605 20 0 FJADLO CCCCc1[nH]c2ccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)cc2[nH+]1 ZINC000604225227 568229231 /nfs/dbraw/zinc/22/92/31/568229231.db2.gz OCODEWLQZFAPJN-UHFFFAOYSA-N 1 2 364.424 4.707 20 0 FJADLO Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1Oc1cc[nH+]cc1 ZINC000604228251 568229984 /nfs/dbraw/zinc/22/99/84/568229984.db2.gz DHBZPUCOZPSIHY-UHFFFAOYSA-N 1 2 370.811 4.905 20 0 FJADLO O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000604322178 568249108 /nfs/dbraw/zinc/24/91/08/568249108.db2.gz FJKMJTQXXGZULS-UHFFFAOYSA-N 1 2 362.408 4.632 20 0 FJADLO Cc1ccc(C(=O)N2CCCc3sccc3C2)cc1Oc1cc[nH+]cc1 ZINC000604329010 568250447 /nfs/dbraw/zinc/25/04/47/568250447.db2.gz MSISHZQQLJDOHN-UHFFFAOYSA-N 1 2 364.470 4.832 20 0 FJADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000303217857 568258577 /nfs/dbraw/zinc/25/85/77/568258577.db2.gz UCFMMNJOUPORKA-MRXNPFEDSA-N 1 2 357.404 4.777 20 0 FJADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000303217857 568258578 /nfs/dbraw/zinc/25/85/78/568258578.db2.gz UCFMMNJOUPORKA-MRXNPFEDSA-N 1 2 357.404 4.777 20 0 FJADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000303357825 568267888 /nfs/dbraw/zinc/26/78/88/568267888.db2.gz ZYYCWWFYXOZPEZ-QFBILLFUSA-N 1 2 373.566 4.656 20 0 FJADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000303357825 568267889 /nfs/dbraw/zinc/26/78/89/568267889.db2.gz ZYYCWWFYXOZPEZ-QFBILLFUSA-N 1 2 373.566 4.656 20 0 FJADLO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)o1 ZINC000604415600 568280987 /nfs/dbraw/zinc/28/09/87/568280987.db2.gz AJXUULSWDQFJGG-UHFFFAOYSA-N 1 2 361.420 4.936 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000604394391 568284257 /nfs/dbraw/zinc/28/42/57/568284257.db2.gz DXUPGCYBGMYEMC-FQEVSTJZSA-N 1 2 368.546 4.713 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000604394391 568284258 /nfs/dbraw/zinc/28/42/58/568284258.db2.gz DXUPGCYBGMYEMC-FQEVSTJZSA-N 1 2 368.546 4.713 20 0 FJADLO CCCCn1c(SCc2ccc3c(c2)CCC3)nnc1[C@@H](CC)[NH+](C)C ZINC000604380896 568286596 /nfs/dbraw/zinc/28/65/96/568286596.db2.gz FHCGKJNMQNHNRX-LJQANCHMSA-N 1 2 372.582 4.872 20 0 FJADLO CCCCn1c(SCc2ccc3c(c2)CCC3)nnc1[C@H](CC)[NH+](C)C ZINC000604380893 568286628 /nfs/dbraw/zinc/28/66/28/568286628.db2.gz FHCGKJNMQNHNRX-IBGZPJMESA-N 1 2 372.582 4.872 20 0 FJADLO Clc1cccc(-c2noc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)n2)c1 ZINC000604395419 568294876 /nfs/dbraw/zinc/29/48/76/568294876.db2.gz XYVLRKFEDKKXCQ-QGZVFWFLSA-N 1 2 371.893 4.680 20 0 FJADLO Clc1cccc(-c2noc(C[N@H+]3CCSC[C@@H]3c3ccccc3)n2)c1 ZINC000604395419 568294878 /nfs/dbraw/zinc/29/48/78/568294878.db2.gz XYVLRKFEDKKXCQ-QGZVFWFLSA-N 1 2 371.893 4.680 20 0 FJADLO CSCc1c2ccccc2oc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000604484772 568301045 /nfs/dbraw/zinc/30/10/45/568301045.db2.gz ZQGHZHFFAFRDOA-UHFFFAOYSA-N 1 2 363.442 4.938 20 0 FJADLO COC(=O)c1cc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c(C)o1 ZINC000604512821 568306664 /nfs/dbraw/zinc/30/66/64/568306664.db2.gz HXQRBNJWBOYKKE-SFHVURJKSA-N 1 2 373.499 4.645 20 0 FJADLO COC(=O)c1cc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c(C)o1 ZINC000604512821 568306665 /nfs/dbraw/zinc/30/66/65/568306665.db2.gz HXQRBNJWBOYKKE-SFHVURJKSA-N 1 2 373.499 4.645 20 0 FJADLO C[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc(F)c1 ZINC000604704658 568349777 /nfs/dbraw/zinc/34/97/77/568349777.db2.gz MVVUBADLJNXJJB-CYBMUJFWSA-N 1 2 357.816 4.797 20 0 FJADLO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761248 568361200 /nfs/dbraw/zinc/36/12/00/568361200.db2.gz VWUITPMCZLKELP-JSGCOSHPSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761248 568361201 /nfs/dbraw/zinc/36/12/01/568361201.db2.gz VWUITPMCZLKELP-JSGCOSHPSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000604761267 568361279 /nfs/dbraw/zinc/36/12/79/568361279.db2.gz XOBFTVDPGLFPFV-IBGZPJMESA-N 1 2 365.502 4.644 20 0 FJADLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2nc(-c3ccccc3C)no2)cc1 ZINC000604761267 568361280 /nfs/dbraw/zinc/36/12/80/568361280.db2.gz XOBFTVDPGLFPFV-IBGZPJMESA-N 1 2 365.502 4.644 20 0 FJADLO CC[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000141623353 568381416 /nfs/dbraw/zinc/38/14/16/568381416.db2.gz LEMASZYLGXSQTM-UHFFFAOYSA-N 1 2 370.836 4.746 20 0 FJADLO CC[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000141623353 568381417 /nfs/dbraw/zinc/38/14/17/568381417.db2.gz LEMASZYLGXSQTM-UHFFFAOYSA-N 1 2 370.836 4.746 20 0 FJADLO Cc1cc(N[C@@H](Cc2ccccc2)c2cccs2)nc(-c2ccncc2)[nH+]1 ZINC000604883569 568384260 /nfs/dbraw/zinc/38/42/60/568384260.db2.gz LLOYGNRCEVUMSB-IBGZPJMESA-N 1 2 372.497 4.726 20 0 FJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(C)C)cc2)c1C ZINC000007292364 568491589 /nfs/dbraw/zinc/49/15/89/568491589.db2.gz RYELAAJHGYJQNZ-MRXNPFEDSA-N 1 2 354.494 4.661 20 0 FJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(C)C)cc2)c1C ZINC000007292364 568491591 /nfs/dbraw/zinc/49/15/91/568491591.db2.gz RYELAAJHGYJQNZ-MRXNPFEDSA-N 1 2 354.494 4.661 20 0 FJADLO CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365318851 568497199 /nfs/dbraw/zinc/49/71/99/568497199.db2.gz AURQLWAOPJFVJS-SFHVURJKSA-N 1 2 368.525 4.908 20 0 FJADLO Brc1ccc(/C=C/CC[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000604998633 568512029 /nfs/dbraw/zinc/51/20/29/568512029.db2.gz MRLRCQDXGQJQRT-NZURWCHMSA-N 1 2 362.267 4.519 20 0 FJADLO Brc1ccc(/C=C/CC[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000604998633 568512030 /nfs/dbraw/zinc/51/20/30/568512030.db2.gz MRLRCQDXGQJQRT-NZURWCHMSA-N 1 2 362.267 4.519 20 0 FJADLO Cc1ccc(CCC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000605081102 568561194 /nfs/dbraw/zinc/56/11/94/568561194.db2.gz SBZZBNDMPHQMFL-UHFFFAOYSA-N 1 2 373.500 4.666 20 0 FJADLO CCCCc1nc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)cs1 ZINC000605152072 568580675 /nfs/dbraw/zinc/58/06/75/568580675.db2.gz MOVDSZFXURPRKS-KRWDZBQOSA-N 1 2 372.456 4.502 20 0 FJADLO Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000605144575 568583827 /nfs/dbraw/zinc/58/38/27/568583827.db2.gz QGYOKPDIOIULSN-HSZRJFAPSA-N 1 2 373.500 4.997 20 0 FJADLO Cc1cc(N[C@@H](C)c2cccc(Cl)c2Cl)nc(-c2cccnc2)[nH+]1 ZINC000605149216 568586579 /nfs/dbraw/zinc/58/65/79/568586579.db2.gz WFYGAKRCKPQMMX-LBPRGKRZSA-N 1 2 359.260 4.749 20 0 FJADLO Cc1cc(N[C@@H](C)c2cccc(Cl)c2Cl)nc(-c2ccncc2)[nH+]1 ZINC000605149196 568586622 /nfs/dbraw/zinc/58/66/22/568586622.db2.gz USQSKFKIIFVIOC-LBPRGKRZSA-N 1 2 359.260 4.749 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153871 568597519 /nfs/dbraw/zinc/59/75/19/568597519.db2.gz CZFWAVJVOUBRBW-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153871 568597522 /nfs/dbraw/zinc/59/75/22/568597522.db2.gz CZFWAVJVOUBRBW-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155287 568599973 /nfs/dbraw/zinc/59/99/73/568599973.db2.gz NNABYGHJMPTZLX-HXUWFJFHSA-N 1 2 368.546 4.540 20 0 FJADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155287 568599976 /nfs/dbraw/zinc/59/99/76/568599976.db2.gz NNABYGHJMPTZLX-HXUWFJFHSA-N 1 2 368.546 4.540 20 0 FJADLO CC[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1 ZINC000606164553 568682789 /nfs/dbraw/zinc/68/27/89/568682789.db2.gz MSPVAUQUYYFQRE-PGRDOPGGSA-N 1 2 361.489 4.518 20 0 FJADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000108082596 209283087 /nfs/dbraw/zinc/28/30/87/209283087.db2.gz RMSNDTLONILZIT-HOTGVXAUSA-N 1 2 372.509 4.736 20 0 FJADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000108082596 209283089 /nfs/dbraw/zinc/28/30/89/209283089.db2.gz RMSNDTLONILZIT-HOTGVXAUSA-N 1 2 372.509 4.736 20 0 FJADLO COc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000040295843 208246958 /nfs/dbraw/zinc/24/69/58/208246958.db2.gz JMEXEZZVVBTTLF-UHFFFAOYSA-N 1 2 363.461 4.731 20 0 FJADLO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)c1ccc(F)cc1Cl ZINC000054667310 221055015 /nfs/dbraw/zinc/05/50/15/221055015.db2.gz ZYUPIXOMZVQVHT-UHFFFAOYSA-N 1 2 369.827 4.931 20 0 FJADLO Cn1ncc2c1nc[nH+]c2SC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000071822388 221381092 /nfs/dbraw/zinc/38/10/92/221381092.db2.gz UMPPDRILWXHYCB-UHFFFAOYSA-N 1 2 368.412 4.523 20 0 FJADLO Clc1ccc(-c2nnc(C[N@@H+]3CCc4ccsc4C3)o2)c(Cl)c1 ZINC000095601111 209085082 /nfs/dbraw/zinc/08/50/82/209085082.db2.gz HJCXVSXLYZLRDD-UHFFFAOYSA-N 1 2 366.273 4.663 20 0 FJADLO Clc1ccc(-c2nnc(C[N@H+]3CCc4ccsc4C3)o2)c(Cl)c1 ZINC000095601111 209085085 /nfs/dbraw/zinc/08/50/85/209085085.db2.gz HJCXVSXLYZLRDD-UHFFFAOYSA-N 1 2 366.273 4.663 20 0 FJADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966229 222146427 /nfs/dbraw/zinc/14/64/27/222146427.db2.gz QODGPBHKCMBGHS-CXAGYDPISA-N 1 2 369.465 4.600 20 0 FJADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096966229 222146430 /nfs/dbraw/zinc/14/64/30/222146430.db2.gz QODGPBHKCMBGHS-CXAGYDPISA-N 1 2 369.465 4.600 20 0 FJADLO Cc1cc(C)c(NC(=O)c2cc(Br)ccc2Cl)c(C)[nH+]1 ZINC000097039955 222154253 /nfs/dbraw/zinc/15/42/53/222154253.db2.gz OSBAMNZEZSSPKY-UHFFFAOYSA-N 1 2 353.647 4.675 20 0 FJADLO Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601735158 567821229 /nfs/dbraw/zinc/82/12/29/567821229.db2.gz FEWXKTBYZPMRJB-UHFFFAOYSA-N 1 2 364.449 4.695 20 0 FJADLO Cc1cccc(-c2noc(C[N@@H+](C)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000521424521 567998202 /nfs/dbraw/zinc/99/82/02/567998202.db2.gz IZUMWBZYYPJBMG-UHFFFAOYSA-N 1 2 361.367 4.696 20 0 FJADLO Cc1cccc(-c2noc(C[N@H+](C)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000521424521 567998203 /nfs/dbraw/zinc/99/82/03/567998203.db2.gz IZUMWBZYYPJBMG-UHFFFAOYSA-N 1 2 361.367 4.696 20 0 FJADLO Cc1ccccc1[C@H](NC(=O)CCCn1cc[nH+]c1)C1CCC(C)CC1 ZINC000602715701 568020079 /nfs/dbraw/zinc/02/00/79/568020079.db2.gz MZPULRNPCMENMG-RKOYOZNISA-N 1 2 353.510 4.656 20 0 FJADLO CC(F)(F)c1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000186947291 568021392 /nfs/dbraw/zinc/02/13/92/568021392.db2.gz RSVPXWAMBJTITE-UHFFFAOYSA-N 1 2 374.435 4.505 20 0 FJADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccsc3Cl)c2C1 ZINC000186953247 568023687 /nfs/dbraw/zinc/02/36/87/568023687.db2.gz CXTYWZSKBXPIRK-UHFFFAOYSA-N 1 2 371.893 4.580 20 0 FJADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccsc3Cl)c2C1 ZINC000186953247 568023688 /nfs/dbraw/zinc/02/36/88/568023688.db2.gz CXTYWZSKBXPIRK-UHFFFAOYSA-N 1 2 371.893 4.580 20 0 FJADLO Cc1ccccc1[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[C@H](C)C1 ZINC000603449809 568099253 /nfs/dbraw/zinc/09/92/53/568099253.db2.gz LYPBRDCZPWYKIN-LRXVAGHRSA-N 1 2 353.510 4.656 20 0 FJADLO CSCc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000603468854 568102860 /nfs/dbraw/zinc/10/28/60/568102860.db2.gz KACSKRKESLCOJK-UHFFFAOYSA-N 1 2 365.502 4.878 20 0 FJADLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000024804449 568124734 /nfs/dbraw/zinc/12/47/34/568124734.db2.gz PPRGCJOTIBRSHJ-GFCCVEGCSA-N 1 2 370.802 4.990 20 0 FJADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000024804449 568124735 /nfs/dbraw/zinc/12/47/35/568124735.db2.gz PPRGCJOTIBRSHJ-GFCCVEGCSA-N 1 2 370.802 4.990 20 0 FJADLO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)cs1 ZINC000603711787 568137910 /nfs/dbraw/zinc/13/79/10/568137910.db2.gz VNDKCUZQNQKJCG-UHFFFAOYSA-N 1 2 359.539 4.664 20 0 FJADLO CCc1cc(N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)nc[nH+]1 ZINC000603705852 568140609 /nfs/dbraw/zinc/14/06/09/568140609.db2.gz HUFIJDSEKFBEKA-LBPRGKRZSA-N 1 2 354.479 4.653 20 0 FJADLO CC(C)OC1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000603832404 568158108 /nfs/dbraw/zinc/15/81/08/568158108.db2.gz KQYLDRALIQPSJG-UHFFFAOYSA-N 1 2 374.868 4.557 20 0 FJADLO Cc1sc2nc(C)nc(SCc3cn4cc(C)ccc4[nH+]3)c2c1C ZINC000007100031 568170767 /nfs/dbraw/zinc/17/07/67/568170767.db2.gz AMKRTBWQKYHTDR-UHFFFAOYSA-N 1 2 354.504 4.865 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000603884493 568176835 /nfs/dbraw/zinc/17/68/35/568176835.db2.gz HAMIIBLSXSGHGI-UHFFFAOYSA-N 1 2 373.378 4.804 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cs1 ZINC000603893841 568177712 /nfs/dbraw/zinc/17/77/12/568177712.db2.gz IAJYSCPTJSYEMG-SFHVURJKSA-N 1 2 372.534 4.954 20 0 FJADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2c2ccc(C(C)(C)C)cc2)cs1 ZINC000603893841 568177713 /nfs/dbraw/zinc/17/77/13/568177713.db2.gz IAJYSCPTJSYEMG-SFHVURJKSA-N 1 2 372.534 4.954 20 0 FJADLO Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1Oc1cc[nH+]cc1 ZINC000604210857 568226107 /nfs/dbraw/zinc/22/61/07/568226107.db2.gz ZGSNNIDAYCDCEZ-UHFFFAOYSA-N 1 2 366.848 4.808 20 0 FJADLO Cc1ccc(C(=O)NCCCCc2ccccc2)cc1Oc1cc[nH+]cc1 ZINC000604214644 568227007 /nfs/dbraw/zinc/22/70/07/568227007.db2.gz IMXJOCHUUWYRTN-UHFFFAOYSA-N 1 2 360.457 4.935 20 0 FJADLO Cc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1Oc1cc[nH+]cc1 ZINC000604224021 568228852 /nfs/dbraw/zinc/22/88/52/568228852.db2.gz KYDCVEDQLSQSMU-UHFFFAOYSA-N 1 2 368.462 4.584 20 0 FJADLO C[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc(F)c(F)c1 ZINC000607814028 568229279 /nfs/dbraw/zinc/22/92/79/568229279.db2.gz GWEFGNKEXDWXMH-ZDUSSCGKSA-N 1 2 354.356 4.894 20 0 FJADLO COc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000607814145 568229382 /nfs/dbraw/zinc/22/93/82/568229382.db2.gz VLRHKBZTFLQTPK-UHFFFAOYSA-N 1 2 354.793 4.788 20 0 FJADLO Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1Oc1cc[nH+]cc1 ZINC000604222181 568231031 /nfs/dbraw/zinc/23/10/31/568231031.db2.gz AGPTUJPXASBYDX-HNAYVOBHSA-N 1 2 362.429 4.829 20 0 FJADLO Cc1ccc(C(=O)NCC(C)(C)c2cccs2)cc1Oc1cc[nH+]cc1 ZINC000604232935 568231091 /nfs/dbraw/zinc/23/10/91/568231091.db2.gz ZVFYQAHHSQTJSD-UHFFFAOYSA-N 1 2 366.486 4.951 20 0 FJADLO O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000604281331 568240679 /nfs/dbraw/zinc/24/06/79/568240679.db2.gz MGUJJBXDFFXHTI-HNNXBMFYSA-N 1 2 351.837 4.584 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+]2CCCC[C@H]2c2cccc(C)c2C)cs1 ZINC000525795259 568245450 /nfs/dbraw/zinc/24/54/50/568245450.db2.gz WFSOOWANVUGNGM-SFHVURJKSA-N 1 2 358.507 4.664 20 0 FJADLO CCOC(=O)c1nc(C[N@H+]2CCCC[C@H]2c2cccc(C)c2C)cs1 ZINC000525795259 568245451 /nfs/dbraw/zinc/24/54/51/568245451.db2.gz WFSOOWANVUGNGM-SFHVURJKSA-N 1 2 358.507 4.664 20 0 FJADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000303141616 568253136 /nfs/dbraw/zinc/25/31/36/568253136.db2.gz MEUINWMBVZSWEU-ZDUSSCGKSA-N 1 2 370.449 4.871 20 0 FJADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000303141616 568253137 /nfs/dbraw/zinc/25/31/37/568253137.db2.gz MEUINWMBVZSWEU-ZDUSSCGKSA-N 1 2 370.449 4.871 20 0 FJADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000303217852 568258554 /nfs/dbraw/zinc/25/85/54/568258554.db2.gz UCFMMNJOUPORKA-INIZCTEOSA-N 1 2 357.404 4.777 20 0 FJADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000303217852 568258555 /nfs/dbraw/zinc/25/85/55/568258555.db2.gz UCFMMNJOUPORKA-INIZCTEOSA-N 1 2 357.404 4.777 20 0 FJADLO Fc1cccc(F)c1C[N@H+](Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000303193798 568259403 /nfs/dbraw/zinc/25/94/03/568259403.db2.gz GBUSSVKVDDGIJU-UHFFFAOYSA-N 1 2 369.415 4.960 20 0 FJADLO Fc1cccc(F)c1C[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000303193798 568259404 /nfs/dbraw/zinc/25/94/04/568259404.db2.gz GBUSSVKVDDGIJU-UHFFFAOYSA-N 1 2 369.415 4.960 20 0 FJADLO C[C@H]1C[C@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000303197961 568259705 /nfs/dbraw/zinc/25/97/05/568259705.db2.gz YMHAKJYELVMETA-ZWKOTPCHSA-N 1 2 369.509 4.753 20 0 FJADLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccsc3)cs2)cc1OC ZINC000007806163 568260013 /nfs/dbraw/zinc/26/00/13/568260013.db2.gz NBVCOQNINCYUMM-UHFFFAOYSA-N 1 2 360.504 4.521 20 0 FJADLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccsc3)cs2)cc1OC ZINC000007806163 568260014 /nfs/dbraw/zinc/26/00/14/568260014.db2.gz NBVCOQNINCYUMM-UHFFFAOYSA-N 1 2 360.504 4.521 20 0 FJADLO Cc1nc(C2([NH2+]Cc3cnc(-c4ccc(C)cc4)s3)CCCCC2)no1 ZINC000604415693 568281124 /nfs/dbraw/zinc/28/11/24/568281124.db2.gz PGFDIPCBMJBWLV-UHFFFAOYSA-N 1 2 368.506 4.759 20 0 FJADLO Brc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)s1 ZINC000604394427 568284404 /nfs/dbraw/zinc/28/44/04/568284404.db2.gz GRZKLMZGDKGBAN-CQSZACIVSA-N 1 2 354.338 4.801 20 0 FJADLO Brc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)s1 ZINC000604394427 568284405 /nfs/dbraw/zinc/28/44/05/568284405.db2.gz GRZKLMZGDKGBAN-CQSZACIVSA-N 1 2 354.338 4.801 20 0 FJADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000604387836 568289442 /nfs/dbraw/zinc/28/94/42/568289442.db2.gz GFUCUBSHNSILRY-UHFFFAOYSA-N 1 2 360.542 4.761 20 0 FJADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000604387836 568289444 /nfs/dbraw/zinc/28/94/44/568289444.db2.gz GFUCUBSHNSILRY-UHFFFAOYSA-N 1 2 360.542 4.761 20 0 FJADLO CC[C@H](CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1)C(C)C ZINC000303537340 568290827 /nfs/dbraw/zinc/29/08/27/568290827.db2.gz SXLAMQREDQIPJK-QGZVFWFLSA-N 1 2 359.539 4.786 20 0 FJADLO CC[C@H](CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)C(C)C ZINC000303537340 568290828 /nfs/dbraw/zinc/29/08/28/568290828.db2.gz SXLAMQREDQIPJK-QGZVFWFLSA-N 1 2 359.539 4.786 20 0 FJADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303547559 568291648 /nfs/dbraw/zinc/29/16/48/568291648.db2.gz VQBBFQQEKDYIMC-SJORKVTESA-N 1 2 371.362 4.838 20 0 FJADLO CCC(CC)(C(=O)NCc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1 ZINC000303555297 568292338 /nfs/dbraw/zinc/29/23/38/568292338.db2.gz WOJKUAWCZJLEPF-UHFFFAOYSA-N 1 2 369.896 4.670 20 0 FJADLO CCCC[N@H+](Cc1csc(C(=O)OCC)n1)[C@H](C)c1ccc(C)o1 ZINC000604493644 568304091 /nfs/dbraw/zinc/30/40/91/568304091.db2.gz USLAVSLDYRFMRS-CQSZACIVSA-N 1 2 350.484 4.585 20 0 FJADLO CCCC[N@@H+](Cc1csc(C(=O)OCC)n1)[C@H](C)c1ccc(C)o1 ZINC000604493644 568304092 /nfs/dbraw/zinc/30/40/92/568304092.db2.gz USLAVSLDYRFMRS-CQSZACIVSA-N 1 2 350.484 4.585 20 0 FJADLO CC[C@H](c1ccccc1)N(CC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599287 568322832 /nfs/dbraw/zinc/32/28/32/568322832.db2.gz DUABKEYKSPMYPM-OAQYLSRUSA-N 1 2 362.477 4.555 20 0 FJADLO CC(C)([NH2+]Cc1noc(-c2ccsc2)n1)c1cccc(C(F)(F)F)c1 ZINC000604607800 568325983 /nfs/dbraw/zinc/32/59/83/568325983.db2.gz UEGWKHMKOWZKSK-UHFFFAOYSA-N 1 2 367.396 4.842 20 0 FJADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(Cl)cc1Cl ZINC000604608824 568326486 /nfs/dbraw/zinc/32/64/86/568326486.db2.gz OXTREJWWPRWZES-UHFFFAOYSA-N 1 2 361.232 4.501 20 0 FJADLO CC(C)[C@@H](CC1CCCC1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000604740085 568359402 /nfs/dbraw/zinc/35/94/02/568359402.db2.gz AREORBUCJAPFMK-HXUWFJFHSA-N 1 2 357.542 4.541 20 0 FJADLO Cc1cc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)nc(C2CC2)[nH+]1 ZINC000604756829 568365089 /nfs/dbraw/zinc/36/50/89/568365089.db2.gz GKGARRQLLZSHFO-UHFFFAOYSA-N 1 2 366.440 4.526 20 0 FJADLO CC[C@H](C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000604861332 568379265 /nfs/dbraw/zinc/37/92/65/568379265.db2.gz XMWVBZYSHUTFLV-PGRDOPGGSA-N 1 2 365.521 4.518 20 0 FJADLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000005627956 568391623 /nfs/dbraw/zinc/39/16/23/568391623.db2.gz QCFXVMPETQJURK-LLVKDONJSA-N 1 2 362.260 4.529 20 0 FJADLO Cc1cccn2cc(CSc3nnc(Nc4cccc(F)c4)s3)[nH+]c12 ZINC000006973163 568407958 /nfs/dbraw/zinc/40/79/58/568407958.db2.gz YTCRTJIDFNOLML-UHFFFAOYSA-N 1 2 371.466 4.669 20 0 FJADLO CCc1cccc(NC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)c1CC ZINC000432583345 568453339 /nfs/dbraw/zinc/45/33/39/568453339.db2.gz GWEWUUBLPYECGV-IBGZPJMESA-N 1 2 354.498 4.787 20 0 FJADLO Brc1ccc(/C=C\CC[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000604998631 568512004 /nfs/dbraw/zinc/51/20/04/568512004.db2.gz MRLRCQDXGQJQRT-DIIYHRTISA-N 1 2 362.267 4.519 20 0 FJADLO Brc1ccc(/C=C\CC[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000604998631 568512005 /nfs/dbraw/zinc/51/20/05/568512005.db2.gz MRLRCQDXGQJQRT-DIIYHRTISA-N 1 2 362.267 4.519 20 0 FJADLO C[C@@H]1CCC[C@@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000605075907 568554145 /nfs/dbraw/zinc/55/41/45/568554145.db2.gz VLVITWKQMOIOGG-IEBWSBKVSA-N 1 2 370.566 4.593 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000605077804 568555442 /nfs/dbraw/zinc/55/54/42/568555442.db2.gz QALXOXZGSORICM-UHFFFAOYSA-N 1 2 367.452 4.715 20 0 FJADLO CCCC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000605091031 568561614 /nfs/dbraw/zinc/56/16/14/568561614.db2.gz KPQSVKZRMAGRHO-OAQYLSRUSA-N 1 2 363.461 4.542 20 0 FJADLO CC(C)[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1Cl ZINC000605094158 568562718 /nfs/dbraw/zinc/56/27/18/568562718.db2.gz CQIQVRDWRXLSRE-IBGZPJMESA-N 1 2 353.853 4.653 20 0 FJADLO Cc1cc(N[C@H](C)c2cccc(Cl)c2Cl)nc(-c2ccncc2)[nH+]1 ZINC000605149195 568586601 /nfs/dbraw/zinc/58/66/01/568586601.db2.gz USQSKFKIIFVIOC-GFCCVEGCSA-N 1 2 359.260 4.749 20 0 FJADLO Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000605157211 568588569 /nfs/dbraw/zinc/58/85/69/568588569.db2.gz YJFXLAJDGVITNS-QGZVFWFLSA-N 1 2 351.416 4.871 20 0 FJADLO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2nccn2CC(F)(F)F)c1 ZINC000605157211 568588571 /nfs/dbraw/zinc/58/85/71/568588571.db2.gz YJFXLAJDGVITNS-QGZVFWFLSA-N 1 2 351.416 4.871 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153845 568597660 /nfs/dbraw/zinc/59/76/60/568597660.db2.gz CQLWBVICYQRJTG-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153845 568597662 /nfs/dbraw/zinc/59/76/62/568597662.db2.gz CQLWBVICYQRJTG-DNVCBOLYSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154240 568598173 /nfs/dbraw/zinc/59/81/73/568598173.db2.gz MEVUHVZVIPJLAX-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154240 568598174 /nfs/dbraw/zinc/59/81/74/568598174.db2.gz MEVUHVZVIPJLAX-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155260 568600061 /nfs/dbraw/zinc/60/00/61/568600061.db2.gz MJWKKDTXKLMOBG-FQEVSTJZSA-N 1 2 368.546 4.847 20 0 FJADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155260 568600062 /nfs/dbraw/zinc/60/00/62/568600062.db2.gz MJWKKDTXKLMOBG-FQEVSTJZSA-N 1 2 368.546 4.847 20 0 FJADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(F)cc1F ZINC000606155959 568675866 /nfs/dbraw/zinc/67/58/66/568675866.db2.gz HQTKIHBIHKOWFN-GOSISDBHSA-N 1 2 365.387 4.657 20 0 FJADLO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000606177900 568693170 /nfs/dbraw/zinc/69/31/70/568693170.db2.gz VWAAHCBEXROZMP-AWEZNQCLSA-N 1 2 373.378 4.708 20 0 FJADLO CC[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C)cc1 ZINC000606184025 568698391 /nfs/dbraw/zinc/69/83/91/568698391.db2.gz LABMNXOAOOMTBP-GOSISDBHSA-N 1 2 365.452 4.520 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2cccs2)CCCCC1 ZINC000606168257 568701165 /nfs/dbraw/zinc/70/11/65/568701165.db2.gz RAOKGQDSURJUSS-UHFFFAOYSA-N 1 2 351.475 4.774 20 0 FJADLO Cc1cn2cc(NC(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000606187808 568709072 /nfs/dbraw/zinc/70/90/72/568709072.db2.gz IWIBLSMMMUTJGQ-GFCCVEGCSA-N 1 2 361.367 4.794 20 0 FJADLO C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000606198503 568717806 /nfs/dbraw/zinc/71/78/06/568717806.db2.gz HMLJBYOSXWIAGJ-OAHLLOKOSA-N 1 2 350.393 4.830 20 0 FJADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c1C ZINC000108083190 209282894 /nfs/dbraw/zinc/28/28/94/209282894.db2.gz CQFSCRGCPPCTIU-UHFFFAOYSA-N 1 2 351.277 4.681 20 0 FJADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c1C ZINC000108083190 209282896 /nfs/dbraw/zinc/28/28/96/209282896.db2.gz CQFSCRGCPPCTIU-UHFFFAOYSA-N 1 2 351.277 4.681 20 0 FJADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000105928394 209269889 /nfs/dbraw/zinc/26/98/89/209269889.db2.gz DCFOXLWXZISVET-UHFFFAOYSA-N 1 2 355.397 4.917 20 0 FJADLO C[C@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1Br ZINC000034996214 208116472 /nfs/dbraw/zinc/11/64/72/208116472.db2.gz AAQUKZSIDHLBMS-VIFPVBQESA-N 1 2 359.061 4.655 20 0 FJADLO O=C(CCCn1cnc2ccccc21)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601735230 567821227 /nfs/dbraw/zinc/82/12/27/567821227.db2.gz JGRQNUYSZHIXIM-UHFFFAOYSA-N 1 2 372.428 4.643 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CCc2ccc(F)cc21 ZINC000601866207 567867760 /nfs/dbraw/zinc/86/77/60/567867760.db2.gz SACLUBHAHWLVTA-FQEVSTJZSA-N 1 2 363.392 4.822 20 0 FJADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)c3ccccc32)n1 ZINC000601942428 567881871 /nfs/dbraw/zinc/88/18/71/567881871.db2.gz RNWUEFRBFQDBBO-VXGBXAGGSA-N 1 2 358.825 4.680 20 0 FJADLO C[C@@H](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)c1ccccc1 ZINC000602118141 567931486 /nfs/dbraw/zinc/93/14/86/567931486.db2.gz QZKDSRFOEODGAT-INIZCTEOSA-N 1 2 360.413 4.722 20 0 FJADLO C[C@@H](CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C(=O)c1ccccc1 ZINC000602123701 567938320 /nfs/dbraw/zinc/93/83/20/567938320.db2.gz DEYPFKHXOZEZSX-AWEZNQCLSA-N 1 2 361.445 4.678 20 0 FJADLO CC[C@@H]([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)c1nccs1 ZINC000161909698 567972149 /nfs/dbraw/zinc/97/21/49/567972149.db2.gz QDMHBDJQWXGQTJ-GFCCVEGCSA-N 1 2 351.447 4.786 20 0 FJADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000602910906 568011133 /nfs/dbraw/zinc/01/11/33/568011133.db2.gz NTLSPBWIWKPCIK-UHFFFAOYSA-N 1 2 362.203 4.893 20 0 FJADLO CCn1c(C[NH2+]Cc2c(Cl)cccc2OC(F)F)nc2ccccc21 ZINC000602910940 568011155 /nfs/dbraw/zinc/01/11/55/568011155.db2.gz OWHIMBBITCFABP-UHFFFAOYSA-N 1 2 365.811 4.601 20 0 FJADLO CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000602738937 568020574 /nfs/dbraw/zinc/02/05/74/568020574.db2.gz HKLVTEAUTZLYCX-UHFFFAOYSA-N 1 2 355.825 4.526 20 0 FJADLO COc1ccc(Cl)c(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)c1 ZINC000602754272 568031007 /nfs/dbraw/zinc/03/10/07/568031007.db2.gz HFNLVVFZXFASIW-UHFFFAOYSA-N 1 2 354.793 4.788 20 0 FJADLO CCc1cc(N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc[nH+]1 ZINC000603383655 568094303 /nfs/dbraw/zinc/09/43/03/568094303.db2.gz JSWNLJSFMNGGTC-CQSZACIVSA-N 1 2 364.424 4.604 20 0 FJADLO CCc1cc(N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)nc[nH+]1 ZINC000603384049 568094322 /nfs/dbraw/zinc/09/43/22/568094322.db2.gz RCJSJUGYHKKIBS-INIZCTEOSA-N 1 2 363.461 4.800 20 0 FJADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000603519003 568109194 /nfs/dbraw/zinc/10/91/94/568109194.db2.gz UOZCGXXISYXEJG-KRWDZBQOSA-N 1 2 370.449 4.571 20 0 FJADLO CCN(CCC(F)(F)F)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603830946 568146222 /nfs/dbraw/zinc/14/62/22/568146222.db2.gz CSFLJFPMXHWUAY-UHFFFAOYSA-N 1 2 372.774 4.942 20 0 FJADLO CC(C)N(CC(F)(F)F)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603827692 568152930 /nfs/dbraw/zinc/15/29/30/568152930.db2.gz SYQVGSOKSQXVDW-UHFFFAOYSA-N 1 2 372.774 4.940 20 0 FJADLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cs1 ZINC000603893839 568177699 /nfs/dbraw/zinc/17/76/99/568177699.db2.gz IAJYSCPTJSYEMG-GOSISDBHSA-N 1 2 372.534 4.954 20 0 FJADLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)cs1 ZINC000603893839 568177700 /nfs/dbraw/zinc/17/77/00/568177700.db2.gz IAJYSCPTJSYEMG-GOSISDBHSA-N 1 2 372.534 4.954 20 0 FJADLO C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000604066679 568205627 /nfs/dbraw/zinc/20/56/27/568205627.db2.gz XMFHILFEYBKWDX-QGZVFWFLSA-N 1 2 374.513 4.906 20 0 FJADLO C[C@@H](NCc1[nH+]ccn1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000604066679 568205628 /nfs/dbraw/zinc/20/56/28/568205628.db2.gz XMFHILFEYBKWDX-QGZVFWFLSA-N 1 2 374.513 4.906 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1Oc1cc[nH+]cc1 ZINC000604212734 568226519 /nfs/dbraw/zinc/22/65/19/568226519.db2.gz HRZHTZZGVDWDJC-CQSZACIVSA-N 1 2 368.383 4.952 20 0 FJADLO Cc1cc(CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)ccc1F ZINC000604214657 568227005 /nfs/dbraw/zinc/22/70/05/568227005.db2.gz KDKQDVHRWORJKU-UHFFFAOYSA-N 1 2 350.393 4.560 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2F)cc1Oc1cc[nH+]cc1 ZINC000604224649 568228984 /nfs/dbraw/zinc/22/89/84/568228984.db2.gz WBIJCEOGJBFVCN-MRXNPFEDSA-N 1 2 364.420 4.682 20 0 FJADLO Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)cc1Oc1cc[nH+]cc1 ZINC000604224648 568229025 /nfs/dbraw/zinc/22/90/25/568229025.db2.gz WBIJCEOGJBFVCN-INIZCTEOSA-N 1 2 364.420 4.682 20 0 FJADLO Cc1ccc(C(=O)N[C@@H](C)Cc2cccs2)cc1Oc1cc[nH+]cc1 ZINC000604218366 568230148 /nfs/dbraw/zinc/23/01/48/568230148.db2.gz AOGKKFKYFRFIOS-HNNXBMFYSA-N 1 2 352.459 4.605 20 0 FJADLO Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1Oc1cc[nH+]cc1 ZINC000604232864 568231095 /nfs/dbraw/zinc/23/10/95/568231095.db2.gz RMXWWYOWVPKLFR-NRFANRHFSA-N 1 2 372.468 4.812 20 0 FJADLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000604234852 568232050 /nfs/dbraw/zinc/23/20/50/568232050.db2.gz DOQJNVUIMDZUDI-IBGZPJMESA-N 1 2 353.853 4.653 20 0 FJADLO CC(C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000604334169 568259143 /nfs/dbraw/zinc/25/91/43/568259143.db2.gz HYVUZWAYADAKBE-FQEVSTJZSA-N 1 2 367.880 4.712 20 0 FJADLO Cc1ccc(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)c(C)[nH+]1 ZINC000410564908 568264550 /nfs/dbraw/zinc/26/45/50/568264550.db2.gz RIDWPCHLYHNBNN-UHFFFAOYSA-N 1 2 369.465 4.877 20 0 FJADLO Fc1ccc(-c2cnc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)o2)cc1 ZINC000604394362 568284260 /nfs/dbraw/zinc/28/42/60/568284260.db2.gz AFMJEVIGGLNFGB-GOSISDBHSA-N 1 2 354.450 4.771 20 0 FJADLO Fc1ccc(-c2cnc(C[N@H+]3CCSC[C@@H]3c3ccccc3)o2)cc1 ZINC000604394362 568284261 /nfs/dbraw/zinc/28/42/61/568284261.db2.gz AFMJEVIGGLNFGB-GOSISDBHSA-N 1 2 354.450 4.771 20 0 FJADLO CCc1ccc(-c2noc(C[N@@H+]3CCSC[C@H]3c3ccccc3)n2)cc1 ZINC000604394468 568284373 /nfs/dbraw/zinc/28/43/73/568284373.db2.gz KZNJPIBWCLLZQT-IBGZPJMESA-N 1 2 365.502 4.589 20 0 FJADLO CCc1ccc(-c2noc(C[N@H+]3CCSC[C@H]3c3ccccc3)n2)cc1 ZINC000604394468 568284374 /nfs/dbraw/zinc/28/43/74/568284374.db2.gz KZNJPIBWCLLZQT-IBGZPJMESA-N 1 2 365.502 4.589 20 0 FJADLO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000525797389 568289686 /nfs/dbraw/zinc/28/96/86/568289686.db2.gz YVZKRSNNNUAVAT-FGZHOGPDSA-N 1 2 359.473 4.671 20 0 FJADLO CC(C)c1ccc([C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)c2cccs2)cc1 ZINC000564571298 568295777 /nfs/dbraw/zinc/29/57/77/568295777.db2.gz FANGXCBFASQDMZ-IIBYNOLFSA-N 1 2 367.518 4.925 20 0 FJADLO CC(C)CC[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)C(C)(C)C ZINC000604576193 568315786 /nfs/dbraw/zinc/31/57/86/568315786.db2.gz TYJQDVSKSPVBHU-RBUKOAKNSA-N 1 2 370.541 4.660 20 0 FJADLO Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000604705613 568353640 /nfs/dbraw/zinc/35/36/40/568353640.db2.gz LINPGBBUXKMCIA-RBUKOAKNSA-N 1 2 366.505 4.521 20 0 FJADLO Cc1cc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)nc(C2CC2)[nH+]1 ZINC000604756595 568364997 /nfs/dbraw/zinc/36/49/97/568364997.db2.gz NFOHKPYCSZIPRG-UHFFFAOYSA-N 1 2 350.441 4.667 20 0 FJADLO Cc1cc(N2CCC[C@@H]2c2cccc(Br)c2)nc(C2CC2)[nH+]1 ZINC000604756903 568365137 /nfs/dbraw/zinc/36/51/37/568365137.db2.gz AKPMWYYVBRVQKI-MRXNPFEDSA-N 1 2 358.283 4.766 20 0 FJADLO Cc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(C2CC2)[nH+]1 ZINC000604757504 568365274 /nfs/dbraw/zinc/36/52/74/568365274.db2.gz IKHVHIDEZWOPAC-MRXNPFEDSA-N 1 2 364.276 4.547 20 0 FJADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000003617042 568374089 /nfs/dbraw/zinc/37/40/89/568374089.db2.gz SJBQBKXRPUQBRC-UHFFFAOYSA-N 1 2 357.668 4.717 20 0 FJADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000003617042 568374090 /nfs/dbraw/zinc/37/40/90/568374090.db2.gz SJBQBKXRPUQBRC-UHFFFAOYSA-N 1 2 357.668 4.717 20 0 FJADLO Cc1ccc(OC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000604902891 568385361 /nfs/dbraw/zinc/38/53/61/568385361.db2.gz IAMUZWUDCDTYET-UHFFFAOYSA-N 1 2 371.431 4.783 20 0 FJADLO O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000604963078 568428499 /nfs/dbraw/zinc/42/84/99/568428499.db2.gz XSMUTFUBRVCJKV-RMKNXTFCSA-N 1 2 372.453 4.752 20 0 FJADLO COc1ccc2[nH+]c(N3CCC(C(F)(F)F)(C(F)(F)F)C3)ccc2c1 ZINC000604995890 568506384 /nfs/dbraw/zinc/50/63/84/568506384.db2.gz MLDSMXCACRDNDQ-UHFFFAOYSA-N 1 2 364.289 4.565 20 0 FJADLO Brc1ccc(/C=C\CC[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000604998632 568512063 /nfs/dbraw/zinc/51/20/63/568512063.db2.gz MRLRCQDXGQJQRT-DVZSUYKVSA-N 1 2 362.267 4.519 20 0 FJADLO Brc1ccc(/C=C\CC[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000604998632 568512064 /nfs/dbraw/zinc/51/20/64/568512064.db2.gz MRLRCQDXGQJQRT-DVZSUYKVSA-N 1 2 362.267 4.519 20 0 FJADLO Cc1nc(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)cs1 ZINC000643287237 568543544 /nfs/dbraw/zinc/54/35/44/568543544.db2.gz UQYAECJBACITKU-UHFFFAOYSA-N 1 2 352.507 4.720 20 0 FJADLO C[C@H](c1nnc(S[C@H]2CCC[C@@H](C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000605075689 568554060 /nfs/dbraw/zinc/55/40/60/568554060.db2.gz CJCMXOBXKOCUNP-CPUCHLNUSA-N 1 2 362.518 4.700 20 0 FJADLO Cc1nc(-c2cccc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)c2)cs1 ZINC000605079818 568560541 /nfs/dbraw/zinc/56/05/41/568560541.db2.gz QZAMQXJXZYJNAE-UHFFFAOYSA-N 1 2 360.442 4.557 20 0 FJADLO CC(C)[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1Cl ZINC000605094159 568562741 /nfs/dbraw/zinc/56/27/41/568562741.db2.gz CQIQVRDWRXLSRE-LJQANCHMSA-N 1 2 353.853 4.653 20 0 FJADLO CC(C)(Cc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000605088865 568567658 /nfs/dbraw/zinc/56/76/58/568567658.db2.gz APVVFPSREMWSMS-UHFFFAOYSA-N 1 2 353.853 4.733 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155064 568599727 /nfs/dbraw/zinc/59/97/27/568599727.db2.gz IGPKGOPPJFPDRW-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155064 568599728 /nfs/dbraw/zinc/59/97/28/568599728.db2.gz IGPKGOPPJFPDRW-BEFAXECRSA-N 1 2 374.937 4.766 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155529 568600521 /nfs/dbraw/zinc/60/05/21/568600521.db2.gz UCRSNVGJUILYKG-HXUWFJFHSA-N 1 2 368.546 4.713 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155529 568600523 /nfs/dbraw/zinc/60/05/23/568600523.db2.gz UCRSNVGJUILYKG-HXUWFJFHSA-N 1 2 368.546 4.713 20 0 FJADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156118 568601656 /nfs/dbraw/zinc/60/16/56/568601656.db2.gz KISZHDGJIKCIMA-BEFAXECRSA-N 1 2 372.559 4.526 20 0 FJADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156118 568601659 /nfs/dbraw/zinc/60/16/59/568601659.db2.gz KISZHDGJIKCIMA-BEFAXECRSA-N 1 2 372.559 4.526 20 0 FJADLO CC[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)c1ccccc1 ZINC000606147496 568684212 /nfs/dbraw/zinc/68/42/12/568684212.db2.gz FGUMOXPEHFCGNT-GOSISDBHSA-N 1 2 374.469 4.569 20 0 FJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000606177901 568693074 /nfs/dbraw/zinc/69/30/74/568693074.db2.gz VWAAHCBEXROZMP-CQSZACIVSA-N 1 2 373.378 4.708 20 0 FJADLO CC(C)c1ccc([C@@H](C)CC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000606200932 568719823 /nfs/dbraw/zinc/71/98/23/568719823.db2.gz AKUDCZFWXJJLCK-SFHVURJKSA-N 1 2 361.489 4.806 20 0 FJADLO CCN(C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1)C1CCC1 ZINC000606215970 568723991 /nfs/dbraw/zinc/72/39/91/568723991.db2.gz DEYXMPMOOPRPAW-UHFFFAOYSA-N 1 2 365.502 4.641 20 0 FJADLO O=C(CCc1ccccc1F)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000108314897 209285968 /nfs/dbraw/zinc/28/59/68/209285968.db2.gz FCVFECZJNKEOCB-UHFFFAOYSA-N 1 2 363.436 4.597 20 0 FJADLO Cc1cc(N)nc(S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)[nH+]1 ZINC000098078268 222226717 /nfs/dbraw/zinc/22/67/17/222226717.db2.gz GSZPWIVAADWIQZ-HXUWFJFHSA-N 1 2 374.469 4.565 20 0 FJADLO Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601735338 567821458 /nfs/dbraw/zinc/82/14/58/567821458.db2.gz XZNZZBOEUXTZGC-UHFFFAOYSA-N 1 2 370.412 4.825 20 0 FJADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1cc(Cl)ccc1Cl ZINC000043154708 567847852 /nfs/dbraw/zinc/84/78/52/567847852.db2.gz JEYXYOFDCUAKGU-UHFFFAOYSA-N 1 2 369.639 4.616 20 0 FJADLO Cc1nnc(C[N@H+](Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000255905091 567865991 /nfs/dbraw/zinc/86/59/91/567865991.db2.gz WMXGZDOJFMKOAS-VEVIJQCQSA-N 1 2 365.880 4.997 20 0 FJADLO Cc1nnc(C[N@@H+](Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000255905091 567865993 /nfs/dbraw/zinc/86/59/93/567865993.db2.gz WMXGZDOJFMKOAS-VEVIJQCQSA-N 1 2 365.880 4.997 20 0 FJADLO CCN(CCC(F)(F)F)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601863850 567866895 /nfs/dbraw/zinc/86/68/95/567866895.db2.gz IYYMEWSHSOLMJX-UHFFFAOYSA-N 1 2 353.344 4.680 20 0 FJADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)o1 ZINC000601864011 567866926 /nfs/dbraw/zinc/86/69/26/567866926.db2.gz RUDKIEOOHOSBBG-KUHUBIRLSA-N 1 2 363.417 4.912 20 0 FJADLO Fc1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000014929278 567903900 /nfs/dbraw/zinc/90/39/00/567903900.db2.gz GOEFPYHTUBRAKF-KRWDZBQOSA-N 1 2 370.449 4.639 20 0 FJADLO Fc1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c2c(c1)COCO2 ZINC000014929278 567903901 /nfs/dbraw/zinc/90/39/01/567903901.db2.gz GOEFPYHTUBRAKF-KRWDZBQOSA-N 1 2 370.449 4.639 20 0 FJADLO Fc1cc(Br)ccc1[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000062422541 567951856 /nfs/dbraw/zinc/95/18/56/567951856.db2.gz SSYUEACKTVOECU-LJQANCHMSA-N 1 2 371.253 4.862 20 0 FJADLO Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000602206528 567952173 /nfs/dbraw/zinc/95/21/73/567952173.db2.gz BVZAQOZOEIJDCL-JOCHJYFZSA-N 1 2 361.489 4.757 20 0 FJADLO Cc1ccc(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c(C)[nH+]1 ZINC000186695552 567970056 /nfs/dbraw/zinc/97/00/56/567970056.db2.gz VQYQKMKRJCQOLE-UHFFFAOYSA-N 1 2 364.449 4.560 20 0 FJADLO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187023679 568002355 /nfs/dbraw/zinc/00/23/55/568002355.db2.gz LZECUYBRPFZRNC-VHSXEESVSA-N 1 2 371.225 4.543 20 0 FJADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000521426261 568012620 /nfs/dbraw/zinc/01/26/20/568012620.db2.gz NFQLWQSOFPGHAG-SJORKVTESA-N 1 2 366.505 4.594 20 0 FJADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000521426261 568012622 /nfs/dbraw/zinc/01/26/22/568012622.db2.gz NFQLWQSOFPGHAG-SJORKVTESA-N 1 2 366.505 4.594 20 0 FJADLO O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602754729 568031219 /nfs/dbraw/zinc/03/12/19/568031219.db2.gz NUXHQKGTVPZIAC-UHFFFAOYSA-N 1 2 362.404 4.822 20 0 FJADLO CC[C@H](C)Oc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)ccc1OC ZINC000644835537 568034253 /nfs/dbraw/zinc/03/42/53/568034253.db2.gz VMVWEIZJJYKNTR-KKSFZXQISA-N 1 2 354.494 4.851 20 0 FJADLO CC[C@H](C)Oc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)ccc1OC ZINC000644835537 568034255 /nfs/dbraw/zinc/03/42/55/568034255.db2.gz VMVWEIZJJYKNTR-KKSFZXQISA-N 1 2 354.494 4.851 20 0 FJADLO COc1ccccc1-c1cnc(C[NH2+]C2(c3nc(C)cs3)CCCC2)o1 ZINC000083222325 568040222 /nfs/dbraw/zinc/04/02/22/568040222.db2.gz REYUTPSXHAMLQU-UHFFFAOYSA-N 1 2 369.490 4.674 20 0 FJADLO c1sc(COc2ccccc2)nc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000522758000 568052974 /nfs/dbraw/zinc/05/29/74/568052974.db2.gz BRFVELWGYJPKTN-QGZVFWFLSA-N 1 2 354.500 4.659 20 0 FJADLO COc1ccc([C@H]([NH2+]Cc2csc(C3CC3)n2)c2ccccc2)cc1 ZINC000603509949 568110388 /nfs/dbraw/zinc/11/03/88/568110388.db2.gz NCEOFAJVSIIRPL-HXUWFJFHSA-N 1 2 350.487 4.908 20 0 FJADLO c1sc(C2CC2)nc1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000603513307 568111075 /nfs/dbraw/zinc/11/10/75/568111075.db2.gz BBYMPOCEPLBSSR-HXUWFJFHSA-N 1 2 350.487 4.930 20 0 FJADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000024804455 568124676 /nfs/dbraw/zinc/12/46/76/568124676.db2.gz PPRGCJOTIBRSHJ-LBPRGKRZSA-N 1 2 370.802 4.990 20 0 FJADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000024804455 568124677 /nfs/dbraw/zinc/12/46/77/568124677.db2.gz PPRGCJOTIBRSHJ-LBPRGKRZSA-N 1 2 370.802 4.990 20 0 FJADLO O=C(NC[C@@H]1Cc2ccccc21)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603858803 568169362 /nfs/dbraw/zinc/16/93/62/568169362.db2.gz BTTWACITDQVYFY-INIZCTEOSA-N 1 2 364.832 4.597 20 0 FJADLO COc1ccc(-c2cc(C(=O)Nc3ccc4[nH+]ccn4c3)sc2C)cc1 ZINC000603883707 568176707 /nfs/dbraw/zinc/17/67/07/568176707.db2.gz COBZUIMNWOBAAP-UHFFFAOYSA-N 1 2 363.442 4.632 20 0 FJADLO Cc1nc([C@H]2CCCC[N@@H+]2CCCOc2cccc(C(C)(C)C)c2)no1 ZINC000603932779 568183448 /nfs/dbraw/zinc/18/34/48/568183448.db2.gz DZMDRGFJTDNCQA-LJQANCHMSA-N 1 2 357.498 4.672 20 0 FJADLO Cc1nc([C@H]2CCCC[N@H+]2CCCOc2cccc(C(C)(C)C)c2)no1 ZINC000603932779 568183449 /nfs/dbraw/zinc/18/34/49/568183449.db2.gz DZMDRGFJTDNCQA-LJQANCHMSA-N 1 2 357.498 4.672 20 0 FJADLO C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000604066678 568205645 /nfs/dbraw/zinc/20/56/45/568205645.db2.gz XMFHILFEYBKWDX-KRWDZBQOSA-N 1 2 374.513 4.906 20 0 FJADLO C[C@H](NCc1[nH+]ccn1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000604066678 568205646 /nfs/dbraw/zinc/20/56/46/568205646.db2.gz XMFHILFEYBKWDX-KRWDZBQOSA-N 1 2 374.513 4.906 20 0 FJADLO Cc1ccc(C(=O)NCc2c(F)cccc2Cl)cc1Oc1cc[nH+]cc1 ZINC000604215887 568227268 /nfs/dbraw/zinc/22/72/68/568227268.db2.gz DXXQHIBUDMDMQF-UHFFFAOYSA-N 1 2 370.811 4.905 20 0 FJADLO CC(C)[C@@H](CC1CCCCC1)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000604229290 568233006 /nfs/dbraw/zinc/23/30/06/568233006.db2.gz IENSAEUICVVLEI-MRXNPFEDSA-N 1 2 373.463 4.646 20 0 FJADLO Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1Oc1cc[nH+]cc1 ZINC000604231610 568233733 /nfs/dbraw/zinc/23/37/33/568233733.db2.gz CKTDGXBHRUXZED-IBGZPJMESA-N 1 2 358.441 4.642 20 0 FJADLO CC(C)(C)c1ccc(-c2cc(NC(=O)c3ccc4[nH+]ccn4c3)on2)cc1 ZINC000604266493 568237271 /nfs/dbraw/zinc/23/72/71/568237271.db2.gz IOSIEWLCDYDWFF-UHFFFAOYSA-N 1 2 360.417 4.539 20 0 FJADLO O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000604280389 568240555 /nfs/dbraw/zinc/24/05/55/568240555.db2.gz ZFWYUIVEMCCJBY-LJQANCHMSA-N 1 2 371.484 4.945 20 0 FJADLO Cc1c2cccc(Cl)c2oc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604299779 568244987 /nfs/dbraw/zinc/24/49/87/568244987.db2.gz DRIYVBLLCPBOLP-UHFFFAOYSA-N 1 2 365.820 4.510 20 0 FJADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303547555 568291627 /nfs/dbraw/zinc/29/16/27/568291627.db2.gz VQBBFQQEKDYIMC-IAGOWNOFSA-N 1 2 371.362 4.838 20 0 FJADLO C[C@@H](CCC1CCCCC1)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000604576115 568315784 /nfs/dbraw/zinc/31/57/84/568315784.db2.gz NSBBXYINSISZCF-PXNSSMCTSA-N 1 2 368.525 4.558 20 0 FJADLO C[C@@H](CCC1CCCCC1)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000604576114 568315822 /nfs/dbraw/zinc/31/58/22/568315822.db2.gz NSBBXYINSISZCF-FXAWDEMLSA-N 1 2 368.525 4.558 20 0 FJADLO CSc1ccc(Cl)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604618710 568330639 /nfs/dbraw/zinc/33/06/39/568330639.db2.gz SRWSXYKFZXVJFM-UHFFFAOYSA-N 1 2 372.881 4.569 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000604706904 568353830 /nfs/dbraw/zinc/35/38/30/568353830.db2.gz FDBJNUNSONXGNO-SJORKVTESA-N 1 2 366.367 4.894 20 0 FJADLO Cc1cccn2cc(CN3CCSC[C@H]3c3ccc(Cl)cc3)[nH+]c12 ZINC000604761750 568361390 /nfs/dbraw/zinc/36/13/90/568361390.db2.gz VYXXVCCTPXCNLJ-SFHVURJKSA-N 1 2 357.910 4.586 20 0 FJADLO Cc1cccc(Oc2ccccc2C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000604773451 568363763 /nfs/dbraw/zinc/36/37/63/568363763.db2.gz JHQBANBYXJDPKD-HSZRJFAPSA-N 1 2 374.484 4.706 20 0 FJADLO Cc1ccc(OC2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)cc1 ZINC000604886512 568381045 /nfs/dbraw/zinc/38/10/45/568381045.db2.gz DIVOBXWIXOIUQF-UHFFFAOYSA-N 1 2 354.475 4.755 20 0 FJADLO Cc1ccc2[nH+]c(CSc3nnc(-c4ccc(C)c(C)c4)o3)cn2c1 ZINC000005312672 568382224 /nfs/dbraw/zinc/38/22/24/568382224.db2.gz KCDOTJFQKITYBE-UHFFFAOYSA-N 1 2 350.447 4.602 20 0 FJADLO COCC[N@H+](Cc1ccn(C(C)C)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000604884724 568384652 /nfs/dbraw/zinc/38/46/52/568384652.db2.gz HMYMIQQNSQUADW-OAHLLOKOSA-N 1 2 369.431 4.692 20 0 FJADLO COCC[N@@H+](Cc1ccn(C(C)C)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000604884724 568384653 /nfs/dbraw/zinc/38/46/53/568384653.db2.gz HMYMIQQNSQUADW-OAHLLOKOSA-N 1 2 369.431 4.692 20 0 FJADLO CCCN(Cc1ccc(F)cc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644852806 568391181 /nfs/dbraw/zinc/39/11/81/568391181.db2.gz WGNXDCRFMSYNPA-HXUWFJFHSA-N 1 2 365.452 4.510 20 0 FJADLO Cc1nnc([C@@H]2CC23CC[NH+](Cc2csc(Cl)c2Cl)CC3)o1 ZINC000365269308 568391231 /nfs/dbraw/zinc/39/12/31/568391231.db2.gz RWWWWJUAHLPFDN-NSHDSACASA-N 1 2 358.294 4.516 20 0 FJADLO CCCC[C@@H](CC)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000604936879 568400851 /nfs/dbraw/zinc/40/08/51/568400851.db2.gz UCBBDGFUBFCCKG-BEFAXECRSA-N 1 2 361.917 4.886 20 0 FJADLO CC1(C)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@H]1c1ccccc1 ZINC000644853764 568414483 /nfs/dbraw/zinc/41/44/83/568414483.db2.gz JKIYNVUARKZXSV-CTNGQTDRSA-N 1 2 359.473 4.541 20 0 FJADLO O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605078069 568555548 /nfs/dbraw/zinc/55/55/48/568555548.db2.gz MBTCBSIQYGLQIX-UHFFFAOYSA-N 1 2 355.397 4.917 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000605082218 568557357 /nfs/dbraw/zinc/55/73/57/568557357.db2.gz ULHRVNJBYBTGLZ-IBGZPJMESA-N 1 2 351.837 4.503 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000605082384 568557490 /nfs/dbraw/zinc/55/74/90/568557490.db2.gz KZOVAWIRVWIWSU-UHFFFAOYSA-N 1 2 367.452 4.830 20 0 FJADLO CCCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082900 568557842 /nfs/dbraw/zinc/55/78/42/568557842.db2.gz YDZOHKSBJJIMIP-UHFFFAOYSA-N 1 2 371.843 4.717 20 0 FJADLO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082905 568557845 /nfs/dbraw/zinc/55/78/45/568557845.db2.gz YMDBNWZPYLLXEU-CQSZACIVSA-N 1 2 373.378 4.724 20 0 FJADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(-n2cc[nH+]c2)c1 ZINC000605078764 568560048 /nfs/dbraw/zinc/56/00/48/568560048.db2.gz MYTIOWSQINORHM-UHFFFAOYSA-N 1 2 351.409 4.696 20 0 FJADLO CCC(CC)[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000605086889 568566698 /nfs/dbraw/zinc/56/66/98/568566698.db2.gz LRNYDCLDYJRVCG-IBGZPJMESA-N 1 2 353.491 4.841 20 0 FJADLO CCN(Cc1ccc2ccccc2c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605087304 568566941 /nfs/dbraw/zinc/56/69/41/568566941.db2.gz CUNCCZYTSWPXOX-UHFFFAOYSA-N 1 2 355.441 4.688 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153872 568597715 /nfs/dbraw/zinc/59/77/15/568597715.db2.gz CZFWAVJVOUBRBW-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605153872 568597716 /nfs/dbraw/zinc/59/77/16/568597716.db2.gz CZFWAVJVOUBRBW-HNAYVOBHSA-N 1 2 374.937 4.766 20 0 FJADLO Cc1nc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)oc1C ZINC000049982932 568643299 /nfs/dbraw/zinc/64/32/99/568643299.db2.gz NYXAWCAWWIFGGV-UHFFFAOYSA-N 1 2 372.472 4.776 20 0 FJADLO Cc1nc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)oc1C ZINC000049982932 568643301 /nfs/dbraw/zinc/64/33/01/568643301.db2.gz NYXAWCAWWIFGGV-UHFFFAOYSA-N 1 2 372.472 4.776 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC2CCCCC2)c1 ZINC000606167995 568700676 /nfs/dbraw/zinc/70/06/76/568700676.db2.gz MZTBAGSIIFHPME-UHFFFAOYSA-N 1 2 361.445 4.836 20 0 FJADLO C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000606198502 568717671 /nfs/dbraw/zinc/71/76/71/568717671.db2.gz HMLJBYOSXWIAGJ-HNNXBMFYSA-N 1 2 350.393 4.830 20 0 FJADLO C[C@H](NC(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1)c1ccc(F)cc1 ZINC000110264308 209320840 /nfs/dbraw/zinc/32/08/40/209320840.db2.gz SFJJNGUWZIENOG-KRWDZBQOSA-N 1 2 374.459 4.686 20 0 FJADLO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)c1cc(F)ccc1F ZINC000108455482 209286953 /nfs/dbraw/zinc/28/69/53/209286953.db2.gz QKPWPLXVTFTYOE-GFCCVEGCSA-N 1 2 368.412 4.947 20 0 FJADLO Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c2ccccc2n1 ZINC000014910504 220135042 /nfs/dbraw/zinc/13/50/42/220135042.db2.gz HGULHHSRXBNHOY-UHFFFAOYSA-N 1 2 370.456 4.872 20 0 FJADLO O=C(CC1CCCCC1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000021529246 220359126 /nfs/dbraw/zinc/35/91/26/220359126.db2.gz NDLRUCJETGUQGF-UHFFFAOYSA-N 1 2 369.534 4.610 20 0 FJADLO O=C(CC1CCCCC1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000021529246 220359128 /nfs/dbraw/zinc/35/91/28/220359128.db2.gz NDLRUCJETGUQGF-UHFFFAOYSA-N 1 2 369.534 4.610 20 0 FJADLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000601833804 567854885 /nfs/dbraw/zinc/85/48/85/567854885.db2.gz IAZARPZEHJMTBL-KRWDZBQOSA-N 1 2 361.283 4.580 20 0 FJADLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cn1 ZINC000601833804 567854886 /nfs/dbraw/zinc/85/48/86/567854886.db2.gz IAZARPZEHJMTBL-KRWDZBQOSA-N 1 2 361.283 4.580 20 0 FJADLO Cc1nnc(C[N@H+](Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000255905087 567866058 /nfs/dbraw/zinc/86/60/58/567866058.db2.gz WMXGZDOJFMKOAS-SNUQEOBHSA-N 1 2 365.880 4.997 20 0 FJADLO Cc1nnc(C[N@@H+](Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000255905087 567866060 /nfs/dbraw/zinc/86/60/60/567866060.db2.gz WMXGZDOJFMKOAS-SNUQEOBHSA-N 1 2 365.880 4.997 20 0 FJADLO CCC[C@H](NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)c1ccccn1 ZINC000601863782 567866907 /nfs/dbraw/zinc/86/69/07/567866907.db2.gz HJSMOLUOKVISTQ-FQEVSTJZSA-N 1 2 362.433 4.932 20 0 FJADLO COc1ccc(C)cc1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601864120 567866939 /nfs/dbraw/zinc/86/69/39/567866939.db2.gz UYFUGGHUZMZYFT-UHFFFAOYSA-N 1 2 363.417 4.513 20 0 FJADLO Cc1oc2nc(C[NH2+][C@@H](C)c3cc(Cl)ccc3Cl)nc(N)c2c1C ZINC000186753554 567979800 /nfs/dbraw/zinc/97/98/00/567979800.db2.gz OEOKIOIUFCHEKT-VIFPVBQESA-N 1 2 365.264 4.579 20 0 FJADLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187023662 568002397 /nfs/dbraw/zinc/00/23/97/568002397.db2.gz LZECUYBRPFZRNC-ZJUUUORDSA-N 1 2 371.225 4.543 20 0 FJADLO CCS[C@@H](C)c1noc(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)n1 ZINC000602859516 568003451 /nfs/dbraw/zinc/00/34/51/568003451.db2.gz CWYDJBZLRKQWSU-AWEZNQCLSA-N 1 2 370.522 4.524 20 0 FJADLO COC(=O)c1coc([C@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)n1 ZINC000602812480 568042503 /nfs/dbraw/zinc/04/25/03/568042503.db2.gz XYLBMXGOIZUYEB-INIZCTEOSA-N 1 2 364.445 4.518 20 0 FJADLO COC(=O)c1coc([C@@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)n1 ZINC000602812481 568042551 /nfs/dbraw/zinc/04/25/51/568042551.db2.gz XYLBMXGOIZUYEB-MRXNPFEDSA-N 1 2 364.445 4.518 20 0 FJADLO CC(C)Sc1ccc([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000522759948 568063011 /nfs/dbraw/zinc/06/30/11/568063011.db2.gz DKRBZFFZCUAAJE-INIZCTEOSA-N 1 2 365.502 4.864 20 0 FJADLO COc1ccc(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC000066608572 568068921 /nfs/dbraw/zinc/06/89/21/568068921.db2.gz YILPYEHWSMWTFG-UHFFFAOYSA-N 1 2 374.893 4.674 20 0 FJADLO c1sc(-c2ncccn2)nc1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000051558951 568078038 /nfs/dbraw/zinc/07/80/38/568078038.db2.gz PSRWOARFMYBYDI-UHFFFAOYSA-N 1 2 372.497 4.803 20 0 FJADLO COc1ccc(C)cc1C[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000603509715 568110299 /nfs/dbraw/zinc/11/02/99/568110299.db2.gz JZOFBTFWBNFUHJ-UHFFFAOYSA-N 1 2 368.502 4.637 20 0 FJADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)o1 ZINC000603511433 568110585 /nfs/dbraw/zinc/11/05/85/568110585.db2.gz KPUFHKOPIMRJRW-KDOFPFPSSA-N 1 2 354.475 4.728 20 0 FJADLO Cc1ccc(OCc2nc(C[NH2+]Cc3ccc(F)c(F)c3)cs2)cc1 ZINC000603511840 568110740 /nfs/dbraw/zinc/11/07/40/568110740.db2.gz NMRMOUOZAIHKJX-UHFFFAOYSA-N 1 2 360.429 4.599 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000603808502 568142895 /nfs/dbraw/zinc/14/28/95/568142895.db2.gz CUBIGDFEZLDNKA-UHFFFAOYSA-N 1 2 366.424 4.590 20 0 FJADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000603855742 568168071 /nfs/dbraw/zinc/16/80/71/568168071.db2.gz LTORJIXQVVHHQE-OAHLLOKOSA-N 1 2 354.233 4.710 20 0 FJADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000603855742 568168072 /nfs/dbraw/zinc/16/80/72/568168072.db2.gz LTORJIXQVVHHQE-OAHLLOKOSA-N 1 2 354.233 4.710 20 0 FJADLO COC(=O)c1ccoc1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603860246 568170542 /nfs/dbraw/zinc/17/05/42/568170542.db2.gz NPHSWKPREIRUSQ-UHFFFAOYSA-N 1 2 354.233 4.538 20 0 FJADLO COC(=O)c1ccoc1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000603860246 568170543 /nfs/dbraw/zinc/17/05/43/568170543.db2.gz NPHSWKPREIRUSQ-UHFFFAOYSA-N 1 2 354.233 4.538 20 0 FJADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1SCc1cccs1 ZINC000603885093 568176929 /nfs/dbraw/zinc/17/69/29/568176929.db2.gz PYLCXZRSEQEGOU-UHFFFAOYSA-N 1 2 365.483 4.940 20 0 FJADLO CCc1c[nH+]ccc1NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000603911761 568178740 /nfs/dbraw/zinc/17/87/40/568178740.db2.gz GCLFRTXHVVECIJ-UHFFFAOYSA-N 1 2 369.424 4.640 20 0 FJADLO Cc1ccc(C(=O)Nc2cccc3ncccc32)cc1Oc1cc[nH+]cc1 ZINC000604211867 568226286 /nfs/dbraw/zinc/22/62/86/568226286.db2.gz VPWDEPDMOPLMDM-UHFFFAOYSA-N 1 2 355.397 4.983 20 0 FJADLO Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1Oc1cc[nH+]cc1 ZINC000604212538 568226517 /nfs/dbraw/zinc/22/65/17/568226517.db2.gz YSOYREZHYBWTBN-UHFFFAOYSA-N 1 2 350.393 4.594 20 0 FJADLO Cc1ccc(C(=O)N[C@@H](C)Cc2ccsc2)cc1Oc1cc[nH+]cc1 ZINC000604224059 568228820 /nfs/dbraw/zinc/22/88/20/568228820.db2.gz OYWPQSKLYIJATH-HNNXBMFYSA-N 1 2 352.459 4.605 20 0 FJADLO Cc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1Oc1cc[nH+]cc1 ZINC000604219669 568230347 /nfs/dbraw/zinc/23/03/47/568230347.db2.gz AFDDJPJNLKWGPB-UHFFFAOYSA-N 1 2 366.367 4.663 20 0 FJADLO CC(C)[C@H](CC1CCCCC1)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000604229289 568232965 /nfs/dbraw/zinc/23/29/65/568232965.db2.gz IENSAEUICVVLEI-INIZCTEOSA-N 1 2 373.463 4.646 20 0 FJADLO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(Oc3cc[nH+]cc3)c1)CC2 ZINC000604230801 568233444 /nfs/dbraw/zinc/23/34/44/568233444.db2.gz VYFNDJBETAIIRP-NRFANRHFSA-N 1 2 358.441 4.908 20 0 FJADLO CC[N@@H+](Cc1csc(-c2ccsc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000302763749 568234961 /nfs/dbraw/zinc/23/49/61/568234961.db2.gz YHBKXFJYBBVLQR-MRXNPFEDSA-N 1 2 372.515 4.534 20 0 FJADLO CC[N@H+](Cc1csc(-c2ccsc2)n1)C[C@@H]1COc2ccccc2O1 ZINC000302763749 568234962 /nfs/dbraw/zinc/23/49/62/568234962.db2.gz YHBKXFJYBBVLQR-MRXNPFEDSA-N 1 2 372.515 4.534 20 0 FJADLO O=C(C[C@H]1CCc2ccccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000604278300 568240182 /nfs/dbraw/zinc/24/01/82/568240182.db2.gz GXKDZKMUWQORPQ-LJQANCHMSA-N 1 2 371.484 4.945 20 0 FJADLO Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1Oc1cc[nH+]cc1 ZINC000604311865 568248482 /nfs/dbraw/zinc/24/84/82/568248482.db2.gz ISEWAZPEYAZFPZ-UHFFFAOYSA-N 1 2 370.412 4.825 20 0 FJADLO CC(C)c1ccc([C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)c2cccs2)cc1 ZINC000564571292 568292629 /nfs/dbraw/zinc/29/26/29/568292629.db2.gz FANGXCBFASQDMZ-HRAATJIYSA-N 1 2 367.518 4.925 20 0 FJADLO CC[C@@H](c1ccccc1)N(CC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604599286 568322854 /nfs/dbraw/zinc/32/28/54/568322854.db2.gz DUABKEYKSPMYPM-NRFANRHFSA-N 1 2 362.477 4.555 20 0 FJADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](CCC(C)C)C(C)(C)C)c1C ZINC000604664532 568342332 /nfs/dbraw/zinc/34/23/32/568342332.db2.gz KDYJYYCHEQWZOT-GOSISDBHSA-N 1 2 363.546 4.699 20 0 FJADLO Cc1ccccc1[C@H](C)CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000604705611 568353687 /nfs/dbraw/zinc/35/36/87/568353687.db2.gz LINPGBBUXKMCIA-MOPGFXCFSA-N 1 2 366.505 4.521 20 0 FJADLO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761250 568361173 /nfs/dbraw/zinc/36/11/73/568361173.db2.gz VWUITPMCZLKELP-TZMCWYRMSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000604761250 568361174 /nfs/dbraw/zinc/36/11/74/568361174.db2.gz VWUITPMCZLKELP-TZMCWYRMSA-N 1 2 357.479 4.813 20 0 FJADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000604761745 568361346 /nfs/dbraw/zinc/36/13/46/568361346.db2.gz VSQWXULEMCLRJC-NRFANRHFSA-N 1 2 368.546 4.847 20 0 FJADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000604761745 568361347 /nfs/dbraw/zinc/36/13/47/568361347.db2.gz VSQWXULEMCLRJC-NRFANRHFSA-N 1 2 368.546 4.847 20 0 FJADLO Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003617059 568374067 /nfs/dbraw/zinc/37/40/67/568374067.db2.gz QVXXIGWOYQQZSK-UHFFFAOYSA-N 1 2 351.277 4.681 20 0 FJADLO Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003617059 568374068 /nfs/dbraw/zinc/37/40/68/568374068.db2.gz QVXXIGWOYQQZSK-UHFFFAOYSA-N 1 2 351.277 4.681 20 0 FJADLO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000604886904 568381153 /nfs/dbraw/zinc/38/11/53/568381153.db2.gz KOMLWAXWBMGKNG-MRXNPFEDSA-N 1 2 372.896 4.519 20 0 FJADLO FC(F)(F)c1cccc(OCCCC[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000604903439 568385559 /nfs/dbraw/zinc/38/55/59/568385559.db2.gz QWRYQDQDGHVJLL-KRWDZBQOSA-N 1 2 369.383 4.531 20 0 FJADLO FC(F)(F)c1cccc(OCCCC[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000604903439 568385560 /nfs/dbraw/zinc/38/55/60/568385560.db2.gz QWRYQDQDGHVJLL-KRWDZBQOSA-N 1 2 369.383 4.531 20 0 FJADLO CCCN(Cc1ccccc1F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644852602 568386103 /nfs/dbraw/zinc/38/61/03/568386103.db2.gz PBWMTWBFIGBLBI-IBGZPJMESA-N 1 2 365.452 4.510 20 0 FJADLO CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365318815 568497257 /nfs/dbraw/zinc/49/72/57/568497257.db2.gz AURQLWAOPJFVJS-GOSISDBHSA-N 1 2 368.525 4.908 20 0 FJADLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000365362903 568557119 /nfs/dbraw/zinc/55/71/19/568557119.db2.gz AUEAYJMPXOBVCJ-UHFFFAOYSA-N 1 2 364.207 4.785 20 0 FJADLO Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000605082718 568557673 /nfs/dbraw/zinc/55/76/73/568557673.db2.gz MTEPLOFCVZIJDW-UHFFFAOYSA-N 1 2 371.440 4.616 20 0 FJADLO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082904 568557800 /nfs/dbraw/zinc/55/78/00/568557800.db2.gz YMDBNWZPYLLXEU-AWEZNQCLSA-N 1 2 373.378 4.724 20 0 FJADLO CCCOc1ccc(Cl)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605086036 568559491 /nfs/dbraw/zinc/55/94/91/568559491.db2.gz IEICBEBQEIHETD-UHFFFAOYSA-N 1 2 355.825 4.567 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC000605122939 568578659 /nfs/dbraw/zinc/57/86/59/568578659.db2.gz WPDZKDZOXYLTRO-IBGZPJMESA-N 1 2 351.837 4.503 20 0 FJADLO Cc1cc(N[C@H](C)c2cccc(Cl)c2Cl)nc(-c2cccnc2)[nH+]1 ZINC000605149215 568586593 /nfs/dbraw/zinc/58/65/93/568586593.db2.gz WFYGAKRCKPQMMX-GFCCVEGCSA-N 1 2 359.260 4.749 20 0 FJADLO Cc1ccccc1-n1nccc1C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000365389472 568593859 /nfs/dbraw/zinc/59/38/59/568593859.db2.gz YEBZJQYFHVWPFX-HXUWFJFHSA-N 1 2 360.486 4.516 20 0 FJADLO COc1ccc(-c2nc(C[NH2+][C@H]3CSc4ccccc43)cs2)cc1 ZINC000605165951 568594284 /nfs/dbraw/zinc/59/42/84/568594284.db2.gz IJNUGXQCQMSAGZ-KRWDZBQOSA-N 1 2 354.500 4.755 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153847 568597645 /nfs/dbraw/zinc/59/76/45/568597645.db2.gz CQLWBVICYQRJTG-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605153847 568597648 /nfs/dbraw/zinc/59/76/48/568597648.db2.gz CQLWBVICYQRJTG-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155067 568599750 /nfs/dbraw/zinc/59/97/50/568599750.db2.gz IGPKGOPPJFPDRW-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155067 568599752 /nfs/dbraw/zinc/59/97/52/568599752.db2.gz IGPKGOPPJFPDRW-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155528 568600646 /nfs/dbraw/zinc/60/06/46/568600646.db2.gz UCRSNVGJUILYKG-FQEVSTJZSA-N 1 2 368.546 4.713 20 0 FJADLO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155528 568600649 /nfs/dbraw/zinc/60/06/49/568600649.db2.gz UCRSNVGJUILYKG-FQEVSTJZSA-N 1 2 368.546 4.713 20 0 FJADLO C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccsc1 ZINC000606176903 568692151 /nfs/dbraw/zinc/69/21/51/568692151.db2.gz JJVMIKBCJOXGAH-CQSZACIVSA-N 1 2 351.475 4.690 20 0 FJADLO C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccsc1 ZINC000606176902 568692181 /nfs/dbraw/zinc/69/21/81/568692181.db2.gz JJVMIKBCJOXGAH-AWEZNQCLSA-N 1 2 351.475 4.690 20 0 FJADLO CC[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C)cc1 ZINC000606178092 568693062 /nfs/dbraw/zinc/69/30/62/568693062.db2.gz BDPNOTOXHQMKLP-FQEVSTJZSA-N 1 2 365.521 4.580 20 0 FJADLO C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000606185626 568707241 /nfs/dbraw/zinc/70/72/41/568707241.db2.gz GDGCTQKGNIAFSV-HNNXBMFYSA-N 1 2 350.393 4.830 20 0 FJADLO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1coc(-c2ccccc2)n1 ZINC000606186471 568708054 /nfs/dbraw/zinc/70/80/54/568708054.db2.gz VKLYCZJVFHZEPQ-UHFFFAOYSA-N 1 2 357.369 4.781 20 0 FJADLO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc2[nH+]ccn2c1 ZINC000110739758 209327221 /nfs/dbraw/zinc/32/72/21/209327221.db2.gz IXMDRRYBUNRNDL-SFHVURJKSA-N 1 2 367.861 4.569 20 0 FJADLO COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000109594284 209311002 /nfs/dbraw/zinc/31/10/02/209311002.db2.gz LQGRNQKCGZTWHL-UHFFFAOYSA-N 1 2 354.793 4.788 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2cccc(Cl)c2)CCC1 ZINC000108689480 209292309 /nfs/dbraw/zinc/29/23/09/209292309.db2.gz LJWDSIAIAVSXEH-UHFFFAOYSA-N 1 2 369.827 4.725 20 0 FJADLO Cn1ncc2c1nc[nH+]c2S[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021754287 220366390 /nfs/dbraw/zinc/36/63/90/220366390.db2.gz DRGGGYJINHNZLJ-KRWDZBQOSA-N 1 2 366.877 4.898 20 0 FJADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000071953606 221390319 /nfs/dbraw/zinc/39/03/19/221390319.db2.gz FUYIMLROBGWFIR-UHFFFAOYSA-N 1 2 351.277 4.681 20 0 FJADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000071953606 221390322 /nfs/dbraw/zinc/39/03/22/221390322.db2.gz FUYIMLROBGWFIR-UHFFFAOYSA-N 1 2 351.277 4.681 20 0 FJADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)cs1 ZINC000531452376 567841016 /nfs/dbraw/zinc/84/10/16/567841016.db2.gz SCPNTXMDSKEJMZ-SECBINFHSA-N 1 2 364.820 4.813 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CCCc2sccc2C1 ZINC000601858184 567853677 /nfs/dbraw/zinc/85/36/77/567853677.db2.gz OYOPDUZVVDBIMI-UHFFFAOYSA-N 1 2 365.458 4.916 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@@H]1c1ccccn1 ZINC000601858230 567853724 /nfs/dbraw/zinc/85/37/24/567853724.db2.gz XHAPPXCHNVXDFV-HXUWFJFHSA-N 1 2 360.417 4.638 20 0 FJADLO C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)o1 ZINC000601864008 567866963 /nfs/dbraw/zinc/86/69/63/567866963.db2.gz RUDKIEOOHOSBBG-IFXJQAMLSA-N 1 2 363.417 4.912 20 0 FJADLO Cc1ccc(CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C2CC2)o1 ZINC000601866042 567867679 /nfs/dbraw/zinc/86/76/79/567867679.db2.gz DNZODINYSDDBSP-UHFFFAOYSA-N 1 2 363.417 4.972 20 0 FJADLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187023697 568002393 /nfs/dbraw/zinc/00/23/93/568002393.db2.gz LZECUYBRPFZRNC-NXEZZACHSA-N 1 2 371.225 4.543 20 0 FJADLO Cc1nnc([C@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)c2ccccc2)[nH]1 ZINC000162662181 568002885 /nfs/dbraw/zinc/00/28/85/568002885.db2.gz PQBCJWXTJSRNBK-OPAMFIHVSA-N 1 2 369.472 4.615 20 0 FJADLO COc1ccc(Cl)cc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602910180 568011036 /nfs/dbraw/zinc/01/10/36/568011036.db2.gz NEYSQOYBOIMFCT-UHFFFAOYSA-N 1 2 362.203 4.893 20 0 FJADLO Cn1cc(C[N@H+](Cc2scnc2C2CC2)Cc2ccc(Cl)cc2)cn1 ZINC000430780232 568104910 /nfs/dbraw/zinc/10/49/10/568104910.db2.gz KEWPQGUBBPUDEA-UHFFFAOYSA-N 1 2 372.925 4.610 20 0 FJADLO Cn1cc(C[N@@H+](Cc2scnc2C2CC2)Cc2ccc(Cl)cc2)cn1 ZINC000430780232 568104911 /nfs/dbraw/zinc/10/49/11/568104911.db2.gz KEWPQGUBBPUDEA-UHFFFAOYSA-N 1 2 372.925 4.610 20 0 FJADLO Cc1ccc(OCc2nc(C[NH2+]Cc3ccc(F)cc3F)cs2)cc1 ZINC000603513662 568111182 /nfs/dbraw/zinc/11/11/82/568111182.db2.gz RWFMZWHCWUWOPC-UHFFFAOYSA-N 1 2 360.429 4.599 20 0 FJADLO Cc1ccc(OCc2nc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)cs2)cc1 ZINC000603513768 568111287 /nfs/dbraw/zinc/11/12/87/568111287.db2.gz CMEJQESGAGRMMI-INIZCTEOSA-N 1 2 370.522 4.659 20 0 FJADLO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000603518804 568112362 /nfs/dbraw/zinc/11/23/62/568112362.db2.gz MXQGWUAIRKKFJK-SFHVURJKSA-N 1 2 366.486 4.741 20 0 FJADLO CCc1nc(C[NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)cs1 ZINC000603518883 568112777 /nfs/dbraw/zinc/11/27/77/568112777.db2.gz OVJOBKZQRZEPJV-IBGZPJMESA-N 1 2 350.487 4.986 20 0 FJADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3C[C@H](C)O[C@@H](c4ccccc4)C3)o2)cc1 ZINC000522775894 568132041 /nfs/dbraw/zinc/13/20/41/568132041.db2.gz KTALPRGYSCYNDC-ABSDTBQOSA-N 1 2 363.461 4.568 20 0 FJADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3C[C@H](C)O[C@@H](c4ccccc4)C3)o2)cc1 ZINC000522775894 568132042 /nfs/dbraw/zinc/13/20/42/568132042.db2.gz KTALPRGYSCYNDC-ABSDTBQOSA-N 1 2 363.461 4.568 20 0 FJADLO OCCC[N@H+](Cc1csc(C2CC2)n1)Cc1ccc(Cl)c(Cl)c1 ZINC000533938993 568143676 /nfs/dbraw/zinc/14/36/76/568143676.db2.gz ODMZNFOFWHVOPD-UHFFFAOYSA-N 1 2 371.333 4.712 20 0 FJADLO OCCC[N@@H+](Cc1csc(C2CC2)n1)Cc1ccc(Cl)c(Cl)c1 ZINC000533938993 568143677 /nfs/dbraw/zinc/14/36/77/568143677.db2.gz ODMZNFOFWHVOPD-UHFFFAOYSA-N 1 2 371.333 4.712 20 0 FJADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)sc1-c1ccc(F)cc1 ZINC000603885398 568176941 /nfs/dbraw/zinc/17/69/41/568176941.db2.gz SHSDEUATTMNWCZ-UHFFFAOYSA-N 1 2 351.406 4.763 20 0 FJADLO CC(C)[C@H](CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000604215556 568227097 /nfs/dbraw/zinc/22/70/97/568227097.db2.gz NZKCVUVCJVTGTN-FQEVSTJZSA-N 1 2 357.542 4.541 20 0 FJADLO Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1Oc1cc[nH+]cc1 ZINC000604215599 568227211 /nfs/dbraw/zinc/22/72/11/568227211.db2.gz UCNCKSCRDQBDMM-OAQYLSRUSA-N 1 2 358.441 4.942 20 0 FJADLO Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc1Oc1cc[nH+]cc1 ZINC000604222179 568231036 /nfs/dbraw/zinc/23/10/36/568231036.db2.gz AGPTUJPXASBYDX-BEFAXECRSA-N 1 2 362.429 4.829 20 0 FJADLO CCN1CCc2ccc(NC(=O)c3ccc(C)c(Oc4cc[nH+]cc4)c3)cc21 ZINC000604229575 568233056 /nfs/dbraw/zinc/23/30/56/568233056.db2.gz GREDLMZVZLVAHJ-UHFFFAOYSA-N 1 2 373.456 4.817 20 0 FJADLO Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1Oc1cc[nH+]cc1 ZINC000604231611 568233730 /nfs/dbraw/zinc/23/37/30/568233730.db2.gz CKTDGXBHRUXZED-LJQANCHMSA-N 1 2 358.441 4.642 20 0 FJADLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000007593290 568247063 /nfs/dbraw/zinc/24/70/63/568247063.db2.gz ZFWWYESEDGMNFL-AUUYWEPGSA-N 1 2 354.837 4.639 20 0 FJADLO C[C@@H]1C[C@@H](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000303197951 568259745 /nfs/dbraw/zinc/25/97/45/568259745.db2.gz YMHAKJYELVMETA-MSOLQXFVSA-N 1 2 369.509 4.753 20 0 FJADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000303357827 568267902 /nfs/dbraw/zinc/26/79/02/568267902.db2.gz ZYYCWWFYXOZPEZ-VQIMIIECSA-N 1 2 373.566 4.656 20 0 FJADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000303357827 568267903 /nfs/dbraw/zinc/26/79/03/568267903.db2.gz ZYYCWWFYXOZPEZ-VQIMIIECSA-N 1 2 373.566 4.656 20 0 FJADLO Brc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cs1 ZINC000303632440 568268170 /nfs/dbraw/zinc/26/81/70/568268170.db2.gz FSSVIIUNQIPRSL-AWEZNQCLSA-N 1 2 354.338 4.801 20 0 FJADLO Brc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)cs1 ZINC000303632440 568268172 /nfs/dbraw/zinc/26/81/72/568268172.db2.gz FSSVIIUNQIPRSL-AWEZNQCLSA-N 1 2 354.338 4.801 20 0 FJADLO CC(C)(C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1cccs1 ZINC000303627638 568273892 /nfs/dbraw/zinc/27/38/92/568273892.db2.gz OCZZLBHQBPXYJB-UHFFFAOYSA-N 1 2 365.502 4.864 20 0 FJADLO Brc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)s1 ZINC000604394414 568284351 /nfs/dbraw/zinc/28/43/51/568284351.db2.gz GRZKLMZGDKGBAN-AWEZNQCLSA-N 1 2 354.338 4.801 20 0 FJADLO Brc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)s1 ZINC000604394414 568284352 /nfs/dbraw/zinc/28/43/52/568284352.db2.gz GRZKLMZGDKGBAN-AWEZNQCLSA-N 1 2 354.338 4.801 20 0 FJADLO Fc1ccc(-c2nc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)co2)cc1 ZINC000604394711 568284546 /nfs/dbraw/zinc/28/45/46/568284546.db2.gz XOPPNEHOKJQJKK-LJQANCHMSA-N 1 2 354.450 4.771 20 0 FJADLO Fc1ccc(-c2nc(C[N@H+]3CCSC[C@@H]3c3ccccc3)co2)cc1 ZINC000604394711 568284547 /nfs/dbraw/zinc/28/45/47/568284547.db2.gz XOPPNEHOKJQJKK-LJQANCHMSA-N 1 2 354.450 4.771 20 0 FJADLO Clc1cccc(-c2noc(C[N@@H+]3CCSC[C@H]3c3ccccc3)n2)c1 ZINC000604395418 568294864 /nfs/dbraw/zinc/29/48/64/568294864.db2.gz XYVLRKFEDKKXCQ-KRWDZBQOSA-N 1 2 371.893 4.680 20 0 FJADLO Clc1cccc(-c2noc(C[N@H+]3CCSC[C@H]3c3ccccc3)n2)c1 ZINC000604395418 568294865 /nfs/dbraw/zinc/29/48/65/568294865.db2.gz XYVLRKFEDKKXCQ-KRWDZBQOSA-N 1 2 371.893 4.680 20 0 FJADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCCCc2cccs2)c1C ZINC000518796785 568305365 /nfs/dbraw/zinc/30/53/65/568305365.db2.gz ZUOCXFFXNBUKCT-UHFFFAOYSA-N 1 2 360.523 4.530 20 0 FJADLO Cc1cccc(CSCC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000604525997 568310057 /nfs/dbraw/zinc/31/00/57/568310057.db2.gz CWGREXPPHIIZQT-UHFFFAOYSA-N 1 2 371.893 4.706 20 0 FJADLO CC(C)C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000604599786 568322995 /nfs/dbraw/zinc/32/29/95/568322995.db2.gz FSPFPQLHVJZWPF-GOSISDBHSA-N 1 2 368.506 4.520 20 0 FJADLO Cc1ccc(C(=O)Nc2cccc3cnccc32)cc1Oc1cc[nH+]cc1 ZINC000604600931 568323344 /nfs/dbraw/zinc/32/33/44/568323344.db2.gz UADSIWGDZBWPOG-UHFFFAOYSA-N 1 2 355.397 4.983 20 0 FJADLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000604706901 568353850 /nfs/dbraw/zinc/35/38/50/568353850.db2.gz FDBJNUNSONXGNO-IAGOWNOFSA-N 1 2 366.367 4.894 20 0 FJADLO Cc1cc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc(C2CC2)[nH+]1 ZINC000604756912 568365145 /nfs/dbraw/zinc/36/51/45/568365145.db2.gz DDHHTPKNMQMCGG-UHFFFAOYSA-N 1 2 368.868 4.841 20 0 FJADLO Cc1cc(N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nc(C2CC2)[nH+]1 ZINC000604757160 568365155 /nfs/dbraw/zinc/36/51/55/568365155.db2.gz XAGFVZPJTAWZQI-INIZCTEOSA-N 1 2 372.472 4.510 20 0 FJADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000604886577 568381000 /nfs/dbraw/zinc/38/10/00/568381000.db2.gz GJMJPELALUXYIT-UHFFFAOYSA-N 1 2 366.505 4.600 20 0 FJADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000604884355 568384518 /nfs/dbraw/zinc/38/45/18/568384518.db2.gz KDOQOICSOISSRM-UHFFFAOYSA-N 1 2 367.537 4.757 20 0 FJADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000315193082 568384596 /nfs/dbraw/zinc/38/45/96/568384596.db2.gz KWRBUVQYPKEDEC-CYBMUJFWSA-N 1 2 364.283 4.793 20 0 FJADLO CCCC[C@H](CC)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000604936882 568400884 /nfs/dbraw/zinc/40/08/84/568400884.db2.gz UCBBDGFUBFCCKG-KXBFYZLASA-N 1 2 361.917 4.886 20 0 FJADLO CC1(C)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000644853767 568421748 /nfs/dbraw/zinc/42/17/48/568421748.db2.gz JKIYNVUARKZXSV-TZIWHRDSSA-N 1 2 359.473 4.541 20 0 FJADLO O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000604963079 568428569 /nfs/dbraw/zinc/42/85/69/568428569.db2.gz XSMUTFUBRVCJKV-TWGQIWQCSA-N 1 2 372.453 4.752 20 0 FJADLO Cc1cccn2cc(CSc3nc(C(F)(F)F)nc4ccccc43)[nH+]c12 ZINC000007127983 568453218 /nfs/dbraw/zinc/45/32/18/568453218.db2.gz AHARPMRRLBAJJU-UHFFFAOYSA-N 1 2 374.391 4.897 20 0 FJADLO CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000521438053 568527782 /nfs/dbraw/zinc/52/77/82/568527782.db2.gz MQQAENBTWFFNIG-SFHVURJKSA-N 1 2 355.482 4.673 20 0 FJADLO C[C@@H]1CCC[C@H](Sc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)C1 ZINC000605075908 568554153 /nfs/dbraw/zinc/55/41/53/568554153.db2.gz VLVITWKQMOIOGG-MJGOQNOKSA-N 1 2 370.566 4.593 20 0 FJADLO CCCC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000605091030 568561609 /nfs/dbraw/zinc/56/16/09/568561609.db2.gz KPQSVKZRMAGRHO-NRFANRHFSA-N 1 2 363.461 4.542 20 0 FJADLO CCSc1ccc(Cl)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605091442 568561684 /nfs/dbraw/zinc/56/16/84/568561684.db2.gz VQTVCXMSOHVWEJ-UHFFFAOYSA-N 1 2 357.866 4.890 20 0 FJADLO O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605094482 568562731 /nfs/dbraw/zinc/56/27/31/568562731.db2.gz AEPKSEVNGACXKS-KTKRTIGZSA-N 1 2 372.453 4.752 20 0 FJADLO O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605094499 568562851 /nfs/dbraw/zinc/56/28/51/568562851.db2.gz BNCCZQYSMDKBBW-FQEVSTJZSA-N 1 2 373.481 4.648 20 0 FJADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1Cl ZINC000605114592 568572096 /nfs/dbraw/zinc/57/20/96/568572096.db2.gz UQNMGEOODFPONB-GFCCVEGCSA-N 1 2 360.244 4.670 20 0 FJADLO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(-c4c(F)cccc4F)o3)nc2c1 ZINC000525802812 568573927 /nfs/dbraw/zinc/57/39/27/568573927.db2.gz AKQHBMXWWMBUBH-UHFFFAOYSA-N 1 2 353.372 4.699 20 0 FJADLO Cc1ccc2nc(C[NH2+]Cc3ccc(-c4c(F)cccc4F)o3)[nH]c2c1 ZINC000525802812 568573929 /nfs/dbraw/zinc/57/39/29/568573929.db2.gz AKQHBMXWWMBUBH-UHFFFAOYSA-N 1 2 353.372 4.699 20 0 FJADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154241 568598216 /nfs/dbraw/zinc/59/82/16/568598216.db2.gz MEVUHVZVIPJLAX-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000605154241 568598219 /nfs/dbraw/zinc/59/82/19/568598219.db2.gz MEVUHVZVIPJLAX-KXBFYZLASA-N 1 2 374.937 4.766 20 0 FJADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156120 568601448 /nfs/dbraw/zinc/60/14/48/568601448.db2.gz KISZHDGJIKCIMA-HNAYVOBHSA-N 1 2 372.559 4.526 20 0 FJADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156120 568601451 /nfs/dbraw/zinc/60/14/51/568601451.db2.gz KISZHDGJIKCIMA-HNAYVOBHSA-N 1 2 372.559 4.526 20 0 FJADLO CC[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1 ZINC000606164555 568682802 /nfs/dbraw/zinc/68/28/02/568682802.db2.gz MSPVAUQUYYFQRE-XMSQKQJNSA-N 1 2 361.489 4.518 20 0 FJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2cccs2)CCCCC1 ZINC000606180669 568695388 /nfs/dbraw/zinc/69/53/88/568695388.db2.gz BPHVDLCUIQYJLM-UHFFFAOYSA-N 1 2 369.465 4.914 20 0 FJADLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000365450556 568711226 /nfs/dbraw/zinc/71/12/26/568711226.db2.gz JPSPBFLGWPFPDQ-UHFFFAOYSA-N 1 2 366.440 4.661 20 0 FJADLO C[C@@H](c1cccc(NC(=O)CC/C=C/c2ccccc2)c1)[NH+]1CCOCC1 ZINC000606193257 568713094 /nfs/dbraw/zinc/71/30/94/568713094.db2.gz BRAYJBGXMBYUHX-GSXXRBPTSA-N 1 2 364.489 4.512 20 0 FJADLO Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000097414290 209179507 /nfs/dbraw/zinc/17/95/07/209179507.db2.gz BCBWZECQRCKVJU-GFCCVEGCSA-N 1 2 353.249 4.720 20 0 FJADLO Cc1cc(C)c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(C)[nH+]1 ZINC000097213881 209176484 /nfs/dbraw/zinc/17/64/84/209176484.db2.gz YIVVKXVUKVFPTP-UHFFFAOYSA-N 1 2 365.458 4.573 20 0 FJADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C)[nH+]1 ZINC000097214123 209176310 /nfs/dbraw/zinc/17/63/10/209176310.db2.gz GDSZEDHRXPSMQC-UHFFFAOYSA-N 1 2 359.429 4.511 20 0 FJADLO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000010165227 207295911 /nfs/dbraw/zinc/29/59/11/207295911.db2.gz ZDYBRPPXRYSGMD-UHFFFAOYSA-N 1 2 373.865 4.640 20 0 FJADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2c(Cl)ccc3cccnc32)c1C ZINC000051537062 221035589 /nfs/dbraw/zinc/03/55/89/221035589.db2.gz DOHDPNCASRZNMM-UHFFFAOYSA-N 1 2 367.880 4.576 20 0 FJADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2c(Cl)ccc3cccnc32)c1C ZINC000051537062 221035592 /nfs/dbraw/zinc/03/55/92/221035592.db2.gz DOHDPNCASRZNMM-UHFFFAOYSA-N 1 2 367.880 4.576 20 0 FJADLO O=C(CCc1ccsc1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054672493 221055153 /nfs/dbraw/zinc/05/51/53/221055153.db2.gz GWFZUQQTDOBZFK-UHFFFAOYSA-N 1 2 351.475 4.519 20 0 FJADLO c1csc(CNc2nc(NCc3cccs3)c3ccccc3[nH+]2)c1 ZINC000096195150 222072316 /nfs/dbraw/zinc/07/23/16/222072316.db2.gz MTIRSSXICLNXFN-UHFFFAOYSA-N 1 2 352.488 4.977 20 0 FJADLO Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c(C)[nH+]1 ZINC000097293834 222172965 /nfs/dbraw/zinc/17/29/65/222172965.db2.gz NRZUHQDDBYOXIF-GFCCVEGCSA-N 1 2 353.249 4.720 20 0 FJADLO Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000097414291 222180562 /nfs/dbraw/zinc/18/05/62/222180562.db2.gz BCBWZECQRCKVJU-LBPRGKRZSA-N 1 2 353.249 4.720 20 0 FJADLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1OC1CCCC1 ZINC000097414289 222180735 /nfs/dbraw/zinc/18/07/35/222180735.db2.gz QWVPPKULGVQTGO-UHFFFAOYSA-N 1 2 354.450 4.589 20 0 FJADLO Clc1cccc(-c2ccc(C[NH2+]Cc3nnc4ccccn43)o2)c1Cl ZINC000061029222 567859889 /nfs/dbraw/zinc/85/98/89/567859889.db2.gz QRGICNRVQWGEEP-UHFFFAOYSA-N 1 2 373.243 4.586 20 0 FJADLO CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000602106199 567928727 /nfs/dbraw/zinc/92/87/27/567928727.db2.gz VCCALLBYEVFMGA-SFHVURJKSA-N 1 2 371.550 4.582 20 0 FJADLO COc1cc(Cl)ccc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000602909399 568010946 /nfs/dbraw/zinc/01/09/46/568010946.db2.gz UFWIHJTVJQJQAR-UHFFFAOYSA-N 1 2 362.203 4.893 20 0 FJADLO FC(F)(F)c1cccc(-c2noc(C[NH2+]C3(c4ccccc4)CCC3)n2)c1 ZINC000064337752 568018960 /nfs/dbraw/zinc/01/89/60/568018960.db2.gz KPZJWVPUZRCWGF-UHFFFAOYSA-N 1 2 373.378 4.924 20 0 FJADLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186983086 568035949 /nfs/dbraw/zinc/03/59/49/568035949.db2.gz MJAHCGLEOMEWTO-UHFFFAOYSA-N 1 2 372.419 4.668 20 0 FJADLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccc(F)cc3F)n2)cc1F ZINC000066608877 568068909 /nfs/dbraw/zinc/06/89/09/568068909.db2.gz UQTFTIUUHHHXPG-RYUDHWBXSA-N 1 2 361.367 4.874 20 0 FJADLO FC(F)c1nc(C2([NH2+]C3CC(c4ccc(Cl)cc4)C3)CCC2)no1 ZINC000644837998 568091120 /nfs/dbraw/zinc/09/11/20/568091120.db2.gz YXYBTFCNXOWCRY-UHFFFAOYSA-N 1 2 353.800 4.576 20 0 FJADLO Clc1ccc(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)o1 ZINC000603510001 568110416 /nfs/dbraw/zinc/11/04/16/568110416.db2.gz YYMXGYKUYHBSOE-UHFFFAOYSA-N 1 2 369.273 4.912 20 0 FJADLO CCc1nc(C[NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)cs1 ZINC000603518884 568112751 /nfs/dbraw/zinc/11/27/51/568112751.db2.gz OVJOBKZQRZEPJV-LJQANCHMSA-N 1 2 350.487 4.986 20 0 FJADLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cncc(Br)c1 ZINC000603555958 568116607 /nfs/dbraw/zinc/11/66/07/568116607.db2.gz AHTZUWVBONWYQH-QGZVFWFLSA-N 1 2 361.283 4.580 20 0 FJADLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000603555958 568116608 /nfs/dbraw/zinc/11/66/08/568116608.db2.gz AHTZUWVBONWYQH-QGZVFWFLSA-N 1 2 361.283 4.580 20 0 FJADLO Cc1cc(C)c(NC(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)c(C)[nH+]1 ZINC000563098625 568149417 /nfs/dbraw/zinc/14/94/17/568149417.db2.gz ZVLMHDKXEVGRBO-OAQYLSRUSA-N 1 2 355.457 4.775 20 0 FJADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881269 568176329 /nfs/dbraw/zinc/17/63/29/568176329.db2.gz BAFCCVIROKBTSI-UHFFFAOYSA-N 1 2 368.849 4.672 20 0 FJADLO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2[nH+]ccn2c1 ZINC000603885468 568176967 /nfs/dbraw/zinc/17/69/67/568176967.db2.gz UTMOORPPRHRGIY-UHFFFAOYSA-N 1 2 369.424 4.603 20 0 FJADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000604043241 568203401 /nfs/dbraw/zinc/20/34/01/568203401.db2.gz NAVZLDBFFNHWIP-ZDUSSCGKSA-N 1 2 354.841 4.511 20 0 FJADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000604043241 568203402 /nfs/dbraw/zinc/20/34/02/568203402.db2.gz NAVZLDBFFNHWIP-ZDUSSCGKSA-N 1 2 354.841 4.511 20 0 FJADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000070945985 568207918 /nfs/dbraw/zinc/20/79/18/568207918.db2.gz YRKDPBMYLAJXNM-MRXNPFEDSA-N 1 2 357.523 4.819 20 0 FJADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000070945985 568207919 /nfs/dbraw/zinc/20/79/19/568207919.db2.gz YRKDPBMYLAJXNM-MRXNPFEDSA-N 1 2 357.523 4.819 20 0 FJADLO Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1Oc1cc[nH+]cc1 ZINC000604210623 568226074 /nfs/dbraw/zinc/22/60/74/568226074.db2.gz UWCDYLMBZSEBKI-GOSISDBHSA-N 1 2 360.457 4.933 20 0 FJADLO C[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc(F)c(F)c1 ZINC000607814027 568229309 /nfs/dbraw/zinc/22/93/09/568229309.db2.gz GWEFGNKEXDWXMH-CYBMUJFWSA-N 1 2 354.356 4.894 20 0 FJADLO CCCN(CC(F)(F)F)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604218885 568230245 /nfs/dbraw/zinc/23/02/45/568230245.db2.gz GCBBVXKBDSPMSO-UHFFFAOYSA-N 1 2 352.356 4.597 20 0 FJADLO Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1Oc1cc[nH+]cc1 ZINC000604218588 568230266 /nfs/dbraw/zinc/23/02/66/568230266.db2.gz WVWZXHXNVBUMJE-UHFFFAOYSA-N 1 2 360.457 4.890 20 0 FJADLO Cc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1Oc1cc[nH+]cc1 ZINC000604219649 568230370 /nfs/dbraw/zinc/23/03/70/568230370.db2.gz YCPSEKNNCQVNQU-UHFFFAOYSA-N 1 2 370.412 4.620 20 0 FJADLO Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1Oc1cc[nH+]cc1 ZINC000604222180 568231003 /nfs/dbraw/zinc/23/10/03/568231003.db2.gz AGPTUJPXASBYDX-DNVCBOLYSA-N 1 2 362.429 4.829 20 0 FJADLO CCC[C@@H](NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)c1ccccn1 ZINC000604230299 568233311 /nfs/dbraw/zinc/23/33/11/568233311.db2.gz GXAMWWSDADLEFD-HXUWFJFHSA-N 1 2 361.445 4.849 20 0 FJADLO C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)Cc1ccc(Cl)cc1 ZINC000303181793 568256115 /nfs/dbraw/zinc/25/61/15/568256115.db2.gz SZSWKLAGMWWGIA-UHFFFAOYSA-N 1 2 372.877 4.824 20 0 FJADLO C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)Cc1ccc(Cl)cc1 ZINC000303181793 568256116 /nfs/dbraw/zinc/25/61/16/568256116.db2.gz SZSWKLAGMWWGIA-UHFFFAOYSA-N 1 2 372.877 4.824 20 0 FJADLO CC(=O)Nc1nc(C[N@@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000303299047 568265226 /nfs/dbraw/zinc/26/52/26/568265226.db2.gz YNSUXZGUHPMHES-CQSZACIVSA-N 1 2 365.502 4.980 20 0 FJADLO CC(=O)Nc1nc(C[N@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000303299047 568265227 /nfs/dbraw/zinc/26/52/27/568265227.db2.gz YNSUXZGUHPMHES-CQSZACIVSA-N 1 2 365.502 4.980 20 0 FJADLO COc1ccc(Cl)cc1C[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000008006008 568272558 /nfs/dbraw/zinc/27/25/58/568272558.db2.gz MCZAAKLOFRBWFA-UHFFFAOYSA-N 1 2 360.816 4.775 20 0 FJADLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000008006008 568272560 /nfs/dbraw/zinc/27/25/60/568272560.db2.gz MCZAAKLOFRBWFA-UHFFFAOYSA-N 1 2 360.816 4.775 20 0 FJADLO CCc1cc(N[C@@H](CC)c2cc(F)ccc2F)nc(-c2ccncc2)[nH+]1 ZINC000303775617 568275778 /nfs/dbraw/zinc/27/57/78/568275778.db2.gz CEJVMSRJXVNZJQ-SFHVURJKSA-N 1 2 354.404 4.942 20 0 FJADLO CCOc1ccc(-c2nc(C[N@@H+]3CC(C)(C)OCC3(C)C)cs2)cc1 ZINC000604388933 568281532 /nfs/dbraw/zinc/28/15/32/568281532.db2.gz ORJFIGHTSPPLIC-UHFFFAOYSA-N 1 2 360.523 4.598 20 0 FJADLO CCOc1ccc(-c2nc(C[N@H+]3CC(C)(C)OCC3(C)C)cs2)cc1 ZINC000604388933 568281533 /nfs/dbraw/zinc/28/15/33/568281533.db2.gz ORJFIGHTSPPLIC-UHFFFAOYSA-N 1 2 360.523 4.598 20 0 FJADLO Fc1ccc(OC2CC[NH+](Cc3ccc(Br)s3)CC2)cc1 ZINC000604393737 568283525 /nfs/dbraw/zinc/28/35/25/568283525.db2.gz ZHUVCWGNKJHANH-UHFFFAOYSA-N 1 2 370.287 4.693 20 0 FJADLO Fc1ccc(-c2cnc(C[N@@H+]3CCSC[C@H]3c3ccccc3)o2)cc1 ZINC000604394363 568284263 /nfs/dbraw/zinc/28/42/63/568284263.db2.gz AFMJEVIGGLNFGB-SFHVURJKSA-N 1 2 354.450 4.771 20 0 FJADLO Fc1ccc(-c2cnc(C[N@H+]3CCSC[C@H]3c3ccccc3)o2)cc1 ZINC000604394363 568284264 /nfs/dbraw/zinc/28/42/64/568284264.db2.gz AFMJEVIGGLNFGB-SFHVURJKSA-N 1 2 354.450 4.771 20 0 FJADLO CC(C)[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Cl ZINC000604657344 568340036 /nfs/dbraw/zinc/34/00/36/568340036.db2.gz PXRISVPYQOTBBQ-IBGZPJMESA-N 1 2 374.916 4.624 20 0 FJADLO Cc1[nH+]c2cc(NC(=O)C(C)(c3ccccc3)c3ccccc3)ccc2n1C ZINC000525798397 568355785 /nfs/dbraw/zinc/35/57/85/568355785.db2.gz FBRURVUGFAZYNW-UHFFFAOYSA-N 1 2 369.468 4.826 20 0 FJADLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000604745675 568356208 /nfs/dbraw/zinc/35/62/08/568356208.db2.gz OBFYTFFZGYYQCC-UONOGXRCSA-N 1 2 367.399 4.851 20 0 FJADLO Cc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc(C2CC2)[nH+]1 ZINC000604757497 568365278 /nfs/dbraw/zinc/36/52/78/568365278.db2.gz IKHVHIDEZWOPAC-INIZCTEOSA-N 1 2 364.276 4.547 20 0 FJADLO Cc1ccc(OC2CC[NH+](Cc3csc(Br)c3)CC2)cc1 ZINC000604886993 568381223 /nfs/dbraw/zinc/38/12/23/568381223.db2.gz ZZXBCEBMKYRNSO-UHFFFAOYSA-N 1 2 366.324 4.862 20 0 FJADLO FC(F)c1nc(C2([NH2+]Cc3ccc(Cl)c4ccccc34)CCC2)no1 ZINC000643252867 568395981 /nfs/dbraw/zinc/39/59/81/568395981.db2.gz VSCDZGUAHIPYQZ-UHFFFAOYSA-N 1 2 363.795 4.983 20 0 FJADLO CCCC[C@@H](CC)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000604936880 568400889 /nfs/dbraw/zinc/40/08/89/568400889.db2.gz UCBBDGFUBFCCKG-DNVCBOLYSA-N 1 2 361.917 4.886 20 0 FJADLO CC[N@H+](Cc1nnc2n1CCCCC2)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000604998561 568511999 /nfs/dbraw/zinc/51/19/99/568511999.db2.gz CHRVWILJOKPJGM-AWEZNQCLSA-N 1 2 366.431 4.606 20 0 FJADLO CC[N@@H+](Cc1nnc2n1CCCCC2)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000604998561 568512000 /nfs/dbraw/zinc/51/20/00/568512000.db2.gz CHRVWILJOKPJGM-AWEZNQCLSA-N 1 2 366.431 4.606 20 0 FJADLO O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605077873 568555550 /nfs/dbraw/zinc/55/55/50/568555550.db2.gz FGDUBZVHQKJLMZ-UHFFFAOYSA-N 1 2 355.397 4.917 20 0 FJADLO CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000605082609 568557588 /nfs/dbraw/zinc/55/75/88/568557588.db2.gz GLOJHZKVEOPYQC-UHFFFAOYSA-N 1 2 353.853 4.577 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000605082693 568557711 /nfs/dbraw/zinc/55/77/11/568557711.db2.gz LSDXWWOACICATC-JOCHJYFZSA-N 1 2 357.457 4.555 20 0 FJADLO O=C(Nc1ccc(OC2CCCCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605095054 568562967 /nfs/dbraw/zinc/56/29/67/568562967.db2.gz SWKVCEUSNFGYQQ-UHFFFAOYSA-N 1 2 361.445 4.836 20 0 FJADLO CCC(CC)[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000605086890 568566651 /nfs/dbraw/zinc/56/66/51/568566651.db2.gz LRNYDCLDYJRVCG-LJQANCHMSA-N 1 2 353.491 4.841 20 0 FJADLO O=C(Nc1nc2ccsc2s1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000605115962 568572529 /nfs/dbraw/zinc/57/25/29/568572529.db2.gz PBVIZUQVAMCSEK-UHFFFAOYSA-N 1 2 353.428 4.797 20 0 FJADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000605122940 568578614 /nfs/dbraw/zinc/57/86/14/568578614.db2.gz WPDZKDZOXYLTRO-LJQANCHMSA-N 1 2 351.837 4.503 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156058 568601374 /nfs/dbraw/zinc/60/13/74/568601374.db2.gz IREKBRFTUCWZNX-HXUWFJFHSA-N 1 2 354.519 4.539 20 0 FJADLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156058 568601372 /nfs/dbraw/zinc/60/13/72/568601372.db2.gz IREKBRFTUCWZNX-HXUWFJFHSA-N 1 2 354.519 4.539 20 0 FJADLO