smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000176120819 332925568 /nfs/dbraw/zinc/92/55/68/332925568.db2.gz HDYRANWCCJHOCR-HZPDHXFCSA-N 2 2 323.415 4.732 20 0 DJADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151666583 332601083 /nfs/dbraw/zinc/60/10/83/332601083.db2.gz RZUFFFYXHKOBNN-IERDGZPVSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000531975055 334340752 /nfs/dbraw/zinc/34/07/52/334340752.db2.gz USPQVHIHRMKZIV-QZTJIDSGSA-N 2 2 319.452 4.901 20 0 DJADLP CCC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccsc1 ZINC000443088338 338444028 /nfs/dbraw/zinc/44/40/28/338444028.db2.gz AJPSBUSHEIECIT-SFHVURJKSA-N 2 2 311.454 4.565 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)CCC2 ZINC000344094895 335217473 /nfs/dbraw/zinc/21/74/73/335217473.db2.gz GRVREZIRTKWMKO-WOJBJXKFSA-N 2 2 323.484 4.590 20 0 DJADLP C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192796489 336262293 /nfs/dbraw/zinc/26/22/93/336262293.db2.gz QGKUNERXJXMNQL-IIBYNOLFSA-N 2 2 317.436 4.674 20 0 DJADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000360587569 336715530 /nfs/dbraw/zinc/71/55/30/336715530.db2.gz CQELTIRKQPRTCR-JXFKEZNVSA-N 2 2 317.436 4.601 20 0 DJADLP [NH3+]C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc2ccccc2c1 ZINC000423362205 337714533 /nfs/dbraw/zinc/71/45/33/337714533.db2.gz AYTFJVSVSHKCGP-OALUTQOASA-N 2 2 322.477 4.568 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C(C)C)c3ccccc31)CCC2 ZINC000447527208 338554078 /nfs/dbraw/zinc/55/40/78/338554078.db2.gz FVGLVYDYPXYNIV-PWIZWCRZSA-N 2 2 323.484 4.543 20 0 DJADLP CCc1ccc([C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C(C)C)cc1 ZINC000462670037 339083696 /nfs/dbraw/zinc/08/36/96/339083696.db2.gz WPNFLFQNAJZQLG-FQEVSTJZSA-N 2 2 321.468 4.692 20 0 DJADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)CCC(F)(F)F)cc2)c1C ZINC000463030771 339101861 /nfs/dbraw/zinc/10/18/61/339101861.db2.gz ADGGIUQAMMUOCI-NSHDSACASA-N 2 2 311.351 4.632 20 0 DJADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCCC12CCC2 ZINC000463215733 339109830 /nfs/dbraw/zinc/10/98/30/339109830.db2.gz YBZLXHKFXZWEAD-UHFFFAOYSA-N 2 2 311.473 4.534 20 0 DJADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCCC12CCC2 ZINC000463215733 339109831 /nfs/dbraw/zinc/10/98/31/339109831.db2.gz YBZLXHKFXZWEAD-UHFFFAOYSA-N 2 2 311.473 4.534 20 0 DJADLP Cc1ccc[nH+]c1[C@@H]1CCC[C@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000467341998 339232589 /nfs/dbraw/zinc/23/25/89/339232589.db2.gz RCTDRJLOPUBPOI-QUCCMNQESA-N 2 2 323.484 4.590 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc3ccccc31)CCC2 ZINC000483442138 339666132 /nfs/dbraw/zinc/66/61/32/339666132.db2.gz AEDLTHDJTKCJJT-WMZOPIPTSA-N 2 2 319.452 4.573 20 0 DJADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000483830319 339675455 /nfs/dbraw/zinc/67/54/55/339675455.db2.gz CMDFSCRTPYMFLO-UTKZUKDTSA-N 2 2 319.452 4.983 20 0 DJADLP Cc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1C ZINC000484067420 339680358 /nfs/dbraw/zinc/68/03/58/339680358.db2.gz JQVTXZPHCRREFD-SFHVURJKSA-N 2 2 319.452 4.648 20 0 DJADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000504906398 340155634 /nfs/dbraw/zinc/15/56/34/340155634.db2.gz XLVIQYQGBSZLFC-VQIMIIECSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000539041202 340866357 /nfs/dbraw/zinc/86/63/57/340866357.db2.gz XQPNUBSWKGRAGQ-QGZVFWFLSA-N 2 2 321.251 4.516 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000540609243 340938697 /nfs/dbraw/zinc/93/86/97/340938697.db2.gz ZHDCSTXYEVCVIB-ZDUSSCGKSA-N 2 2 314.816 4.683 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000564299715 341153762 /nfs/dbraw/zinc/15/37/62/341153762.db2.gz TYADGHYZKHEQAV-UHFFFAOYSA-N 2 2 302.849 4.501 20 0 DJADLP Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000546227725 341158088 /nfs/dbraw/zinc/15/80/88/341158088.db2.gz MQTXADBQFZEMQN-QZTJIDSGSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)Cc1ccccc1Cl ZINC000564302447 341168219 /nfs/dbraw/zinc/16/82/19/341168219.db2.gz DYHAHBJKMPPKGO-UHFFFAOYSA-N 2 2 316.876 4.587 20 0 DJADLP Clc1ccc(C[NH+]2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000550812193 341323483 /nfs/dbraw/zinc/32/34/83/341323483.db2.gz DURHXCFQRUJPRI-UHFFFAOYSA-N 2 2 320.908 4.617 20 0 DJADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1cccc(Cl)c1 ZINC000566645923 341563998 /nfs/dbraw/zinc/56/39/98/341563998.db2.gz FZQXIHIYUUXVQH-GOSISDBHSA-N 2 2 302.849 4.717 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(C)cc1)C1CCC1)CCC2 ZINC000427711048 332496405 /nfs/dbraw/zinc/49/64/05/332496405.db2.gz HRFBAEGZTQOQLV-PMACEKPBSA-N 2 2 323.484 4.508 20 0 DJADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151716540 332606410 /nfs/dbraw/zinc/60/64/10/332606410.db2.gz AEVWXQBVNPIKQS-IRXDYDNUSA-N 2 2 305.425 4.593 20 0 DJADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000414847974 334120317 /nfs/dbraw/zinc/12/03/17/334120317.db2.gz PGSCJFJLDQZACC-XJKSGUPXSA-N 2 2 316.411 4.521 20 0 DJADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000414847972 334120329 /nfs/dbraw/zinc/12/03/29/334120329.db2.gz PGSCJFJLDQZACC-CZUORRHYSA-N 2 2 316.411 4.521 20 0 DJADLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000531955400 334306816 /nfs/dbraw/zinc/30/68/16/334306816.db2.gz WPLRGEWBVZOKAP-QGZVFWFLSA-N 2 2 318.480 4.515 20 0 DJADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000325114502 336279327 /nfs/dbraw/zinc/27/93/27/336279327.db2.gz KTASQJBEQBAPET-UTKZUKDTSA-N 2 2 319.452 4.983 20 0 DJADLP CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325112971 336279381 /nfs/dbraw/zinc/27/93/81/336279381.db2.gz IHNXUNSQTNRLJH-DLBZAZTESA-N 2 2 319.452 4.847 20 0 DJADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cc(Cl)ccc1Cl ZINC000422777875 337686164 /nfs/dbraw/zinc/68/61/64/337686164.db2.gz GMFVZFFQIZSHHL-POJUEXTFSA-N 2 2 321.251 4.789 20 0 DJADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422825855 337688283 /nfs/dbraw/zinc/68/82/83/337688283.db2.gz QBQQAVYSXDDNSO-AABGKKOBSA-N 2 2 324.468 4.517 20 0 DJADLP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000527903739 337769914 /nfs/dbraw/zinc/76/99/14/337769914.db2.gz ZBRNQDQBWHBFEE-HZPDHXFCSA-N 2 2 311.473 4.584 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C3CCCC3)cc1)CCC2 ZINC000462777533 339088094 /nfs/dbraw/zinc/08/80/94/339088094.db2.gz MRUINJMXJYMGBT-HXUWFJFHSA-N 2 2 323.484 4.516 20 0 DJADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+](C(C)C)C(C)C ZINC000463166217 339107743 /nfs/dbraw/zinc/10/77/43/339107743.db2.gz YGFAIPCCMGQYMJ-UHFFFAOYSA-N 2 2 301.478 4.634 20 0 DJADLP Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000467341999 339232566 /nfs/dbraw/zinc/23/25/66/339232566.db2.gz RCTDRJLOPUBPOI-UYAOXDASSA-N 2 2 323.484 4.590 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469739401 339297393 /nfs/dbraw/zinc/29/73/93/339297393.db2.gz IYBCQUHHEBCFNS-WWMYMODYSA-N 2 2 319.452 4.680 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469739401 339297394 /nfs/dbraw/zinc/29/73/94/339297394.db2.gz IYBCQUHHEBCFNS-WWMYMODYSA-N 2 2 319.452 4.680 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000474465668 339415679 /nfs/dbraw/zinc/41/56/79/339415679.db2.gz DRBAGHQOZIQWTA-CQSZACIVSA-N 2 2 322.374 4.692 20 0 DJADLP Cc1ccc(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c[nH+]1 ZINC000474471735 339416126 /nfs/dbraw/zinc/41/61/26/339416126.db2.gz NMAXRVSNFINSQQ-LJQANCHMSA-N 2 2 314.860 4.717 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000474615976 339420116 /nfs/dbraw/zinc/42/01/16/339420116.db2.gz MBZZHXFSGMHGMC-MRXNPFEDSA-N 2 2 308.425 4.728 20 0 DJADLP Cc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000483844158 339676027 /nfs/dbraw/zinc/67/60/27/339676027.db2.gz ZAVAYSDVAQCQBG-MSOLQXFVSA-N 2 2 319.452 4.901 20 0 DJADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000539500155 340887999 /nfs/dbraw/zinc/88/79/99/340887999.db2.gz REIWKDLJTMQASC-HUUCEWRRSA-N 2 2 319.408 4.522 20 0 DJADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000543396382 341042046 /nfs/dbraw/zinc/04/20/46/341042046.db2.gz HZUBEIRSTKFKPY-LJQANCHMSA-N 2 2 323.465 4.579 20 0 DJADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000543396382 341042047 /nfs/dbraw/zinc/04/20/47/341042047.db2.gz HZUBEIRSTKFKPY-LJQANCHMSA-N 2 2 323.465 4.579 20 0 DJADLP CC(C)c1[nH+]ccn1CC(Cn1cc[nH+]c1C(C)C)C(C)(C)C ZINC000544618328 341089497 /nfs/dbraw/zinc/08/94/97/341089497.db2.gz LXQAGEKHRQJLQH-UHFFFAOYSA-N 2 2 316.493 4.689 20 0 DJADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000547737798 341229474 /nfs/dbraw/zinc/22/94/74/341229474.db2.gz DPRPEAKVQICEHB-LYBXBRPPSA-N 2 2 323.484 4.563 20 0 DJADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000547737798 341229475 /nfs/dbraw/zinc/22/94/75/341229475.db2.gz DPRPEAKVQICEHB-LYBXBRPPSA-N 2 2 323.484 4.563 20 0 DJADLP CCc1[nH+]c2cc(C[NH2+]Cc3ccccc3C)ccc2n1C1CC1 ZINC000548983375 341282742 /nfs/dbraw/zinc/28/27/42/341282742.db2.gz CTJFHADTBPLUAC-UHFFFAOYSA-N 2 2 319.452 4.532 20 0 DJADLP CCSc1ccc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000577523542 341915450 /nfs/dbraw/zinc/91/54/50/341915450.db2.gz XZAUGCUNIDPVLU-INIZCTEOSA-N 2 2 314.498 4.785 20 0 DJADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(C2CC2)c1 ZINC000340206167 131170102 /nfs/dbraw/zinc/17/01/02/131170102.db2.gz TXIMOZQPFVWHCC-INIZCTEOSA-N 2 2 317.436 4.601 20 0 DJADLP C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171404972 332644896 /nfs/dbraw/zinc/64/48/96/332644896.db2.gz LQHUVXQHNTYTKI-KSSFIOAISA-N 2 2 323.465 4.662 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000019230235 333260337 /nfs/dbraw/zinc/26/03/37/333260337.db2.gz KMGOSZSYWKGRQA-LBPRGKRZSA-N 2 2 315.288 4.518 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000221824384 333368362 /nfs/dbraw/zinc/36/83/62/333368362.db2.gz OLCDMALMMNPDHB-LBPRGKRZSA-N 2 2 315.288 4.518 20 0 DJADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000320229667 333457656 /nfs/dbraw/zinc/45/76/56/333457656.db2.gz DNLNLRGLMCUFLM-UZLBHIALSA-N 2 2 305.425 4.674 20 0 DJADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000414847967 334120323 /nfs/dbraw/zinc/12/03/23/334120323.db2.gz PGSCJFJLDQZACC-BBRMVZONSA-N 2 2 316.411 4.521 20 0 DJADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414942775 334202991 /nfs/dbraw/zinc/20/29/91/334202991.db2.gz MXPOXTONCYOOAI-DYVFJYSZSA-N 2 2 324.390 4.550 20 0 DJADLP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192796475 336262230 /nfs/dbraw/zinc/26/22/30/336262230.db2.gz QGKUNERXJXMNQL-HRAATJIYSA-N 2 2 317.436 4.674 20 0 DJADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000325114501 336279315 /nfs/dbraw/zinc/27/93/15/336279315.db2.gz KTASQJBEQBAPET-LAUBAEHRSA-N 2 2 319.452 4.983 20 0 DJADLP C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192932508 336285149 /nfs/dbraw/zinc/28/51/49/336285149.db2.gz BUWBSSOHPRKYMY-IERDGZPVSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000582812440 337184656 /nfs/dbraw/zinc/18/46/56/337184656.db2.gz GBLPGFMPOJSKBQ-QRWLVFNGSA-N 2 2 312.432 4.545 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000582812440 337184657 /nfs/dbraw/zinc/18/46/57/337184657.db2.gz GBLPGFMPOJSKBQ-QRWLVFNGSA-N 2 2 312.432 4.545 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000582812441 337184667 /nfs/dbraw/zinc/18/46/67/337184667.db2.gz GBLPGFMPOJSKBQ-YWZLYKJASA-N 2 2 312.432 4.545 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000582812441 337184668 /nfs/dbraw/zinc/18/46/68/337184668.db2.gz GBLPGFMPOJSKBQ-YWZLYKJASA-N 2 2 312.432 4.545 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000397534394 337273910 /nfs/dbraw/zinc/27/39/10/337273910.db2.gz NJYWMLDCNDDFLA-GFCCVEGCSA-N 2 2 309.240 4.590 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000584437189 337325039 /nfs/dbraw/zinc/32/50/39/337325039.db2.gz YACHTYURLOUJBD-KRWDZBQOSA-N 2 2 302.487 4.761 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000536825012 337604102 /nfs/dbraw/zinc/60/41/02/337604102.db2.gz DOXGNNVLQUXTAM-LBPRGKRZSA-N 2 2 309.240 4.590 20 0 DJADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422825861 337688296 /nfs/dbraw/zinc/68/82/96/337688296.db2.gz QBQQAVYSXDDNSO-UFYCRDLUSA-N 2 2 324.468 4.517 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(C(C)C)c1)CCC2 ZINC000527860503 337769790 /nfs/dbraw/zinc/76/97/90/337769790.db2.gz AKBKLFINQLKHFI-QFBILLFUSA-N 2 2 311.473 4.543 20 0 DJADLP CC[C@@H](C)c1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000527903734 337769995 /nfs/dbraw/zinc/76/99/95/337769995.db2.gz ZBRNQDQBWHBFEE-CVEARBPZSA-N 2 2 311.473 4.584 20 0 DJADLP CC(C)CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccoc1 ZINC000428237519 338043719 /nfs/dbraw/zinc/04/37/19/338043719.db2.gz KQFLWSLBLWFKJZ-IBGZPJMESA-N 2 2 323.440 4.732 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H]2CCCc3sc(Cl)cc32)c[nH+]1 ZINC000430218364 338101925 /nfs/dbraw/zinc/10/19/25/338101925.db2.gz KAPVOMPRVNTFDH-HNNXBMFYSA-N 2 2 320.889 4.705 20 0 DJADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000459424429 339028282 /nfs/dbraw/zinc/02/82/82/339028282.db2.gz QUQFIGATSSQMQI-MRXNPFEDSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1cccn2c(C[NH2+][C@H](CC(C)(C)C)c3ccccc3)c[nH+]c12 ZINC000462679972 339083981 /nfs/dbraw/zinc/08/39/81/339083981.db2.gz SHLNWNXCMPDSFQ-LJQANCHMSA-N 2 2 321.468 4.910 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182288 339339766 /nfs/dbraw/zinc/33/97/66/339339766.db2.gz QPJJOZCHYPWQLD-HNAYVOBHSA-N 2 2 305.425 4.504 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182288 339339767 /nfs/dbraw/zinc/33/97/67/339339767.db2.gz QPJJOZCHYPWQLD-HNAYVOBHSA-N 2 2 305.425 4.504 20 0 DJADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1cccs1 ZINC000480068973 339557531 /nfs/dbraw/zinc/55/75/31/339557531.db2.gz PQWZZZOIAIRKKB-OAHLLOKOSA-N 2 2 313.470 4.537 20 0 DJADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000484053756 339680111 /nfs/dbraw/zinc/68/01/11/339680111.db2.gz CEDGRGQCPXMVJT-OAQYLSRUSA-N 2 2 319.452 4.812 20 0 DJADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccco1 ZINC000484133066 339681656 /nfs/dbraw/zinc/68/16/56/339681656.db2.gz OZZJQLDUVYTGGK-DLBZAZTESA-N 2 2 312.457 4.594 20 0 DJADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394904 340127254 /nfs/dbraw/zinc/12/72/54/340127254.db2.gz UGIKBIXMCIFMNR-UYAOXDASSA-N 2 2 323.484 4.550 20 0 DJADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394904 340127255 /nfs/dbraw/zinc/12/72/55/340127255.db2.gz UGIKBIXMCIFMNR-UYAOXDASSA-N 2 2 323.484 4.550 20 0 DJADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000504919566 340156283 /nfs/dbraw/zinc/15/62/83/340156283.db2.gz LEFJVYLKWSVQPG-OXQOHEQNSA-N 2 2 317.436 4.519 20 0 DJADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000227535290 340600071 /nfs/dbraw/zinc/60/00/71/340600071.db2.gz XHKFNNYWHDZWFQ-LZVXQISVSA-N 2 2 321.251 4.789 20 0 DJADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000543396187 341042007 /nfs/dbraw/zinc/04/20/07/341042007.db2.gz BSTVHCGSEVNBCO-LJQANCHMSA-N 2 2 323.465 4.579 20 0 DJADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000543396187 341042008 /nfs/dbraw/zinc/04/20/08/341042008.db2.gz BSTVHCGSEVNBCO-LJQANCHMSA-N 2 2 323.465 4.579 20 0 DJADLP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396508 341042140 /nfs/dbraw/zinc/04/21/40/341042140.db2.gz KFTXSWITNMFWIR-LJQANCHMSA-N 2 2 323.465 4.579 20 0 DJADLP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396508 341042141 /nfs/dbraw/zinc/04/21/41/341042141.db2.gz KFTXSWITNMFWIR-LJQANCHMSA-N 2 2 323.465 4.579 20 0 DJADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000078725132 341246700 /nfs/dbraw/zinc/24/67/00/341246700.db2.gz ROTGHGDACLTHCU-OAHLLOKOSA-N 2 2 316.876 4.559 20 0 DJADLP c1cc(-c2ccccc2)sc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000552077104 341368034 /nfs/dbraw/zinc/36/80/34/341368034.db2.gz XMMKEMWZEZYGFD-UHFFFAOYSA-N 2 2 323.465 4.518 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000560569081 332360926 /nfs/dbraw/zinc/36/09/26/332360926.db2.gz BDNUBBPFOIQIRJ-HXUWFJFHSA-N 2 2 306.453 4.550 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000560569081 332360928 /nfs/dbraw/zinc/36/09/28/332360928.db2.gz BDNUBBPFOIQIRJ-HXUWFJFHSA-N 2 2 306.453 4.550 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000561948120 332519712 /nfs/dbraw/zinc/51/97/12/332519712.db2.gz KOTCANPBNPNWQI-NHCUHLMSSA-N 2 2 308.469 4.639 20 0 DJADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cc2ccccc2o1 ZINC000442993827 338441144 /nfs/dbraw/zinc/44/11/44/338441144.db2.gz QALIVSZVNQCZRJ-CYBMUJFWSA-N 2 2 323.421 4.531 20 0 DJADLP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192796447 336262166 /nfs/dbraw/zinc/26/21/66/336262166.db2.gz QGKUNERXJXMNQL-KKSFZXQISA-N 2 2 317.436 4.674 20 0 DJADLP C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192796462 336262207 /nfs/dbraw/zinc/26/22/07/336262207.db2.gz QGKUNERXJXMNQL-IERDGZPVSA-N 2 2 317.436 4.674 20 0 DJADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccccc2)c(C)c1 ZINC000532736758 336268762 /nfs/dbraw/zinc/26/87/62/336268762.db2.gz GXMYRMNEZAPCPG-NQIIRXRSSA-N 2 2 319.452 4.592 20 0 DJADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000325114503 336279378 /nfs/dbraw/zinc/27/93/78/336279378.db2.gz KTASQJBEQBAPET-UWJYYQICSA-N 2 2 319.452 4.983 20 0 DJADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000392093160 336967284 /nfs/dbraw/zinc/96/72/84/336967284.db2.gz VCSGRNVFADUFSY-SFHVURJKSA-N 2 2 319.452 4.681 20 0 DJADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422825856 337688204 /nfs/dbraw/zinc/68/82/04/337688204.db2.gz QBQQAVYSXDDNSO-HSALFYBXSA-N 2 2 324.468 4.517 20 0 DJADLP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1F ZINC000422875236 337689495 /nfs/dbraw/zinc/68/94/95/337689495.db2.gz OPUDXLXUOZZCBG-CEXWTWQISA-N 2 2 316.395 4.540 20 0 DJADLP CC(C)c1cccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000527855972 337769505 /nfs/dbraw/zinc/76/95/05/337769505.db2.gz ZLKJAVLASMWFNX-KRWDZBQOSA-N 2 2 323.484 4.525 20 0 DJADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434984509 338228781 /nfs/dbraw/zinc/22/87/81/338228781.db2.gz APUAOCSBUKCKNC-NSHDSACASA-N 2 2 324.255 4.657 20 0 DJADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000156574345 338371417 /nfs/dbraw/zinc/37/14/17/338371417.db2.gz MMPMGRGUUIRKBO-FFSVYQOJSA-N 2 2 315.288 4.517 20 0 DJADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000156574345 338371418 /nfs/dbraw/zinc/37/14/18/338371418.db2.gz MMPMGRGUUIRKBO-FFSVYQOJSA-N 2 2 315.288 4.517 20 0 DJADLP Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000467373927 339235074 /nfs/dbraw/zinc/23/50/74/339235074.db2.gz RDRQNEIKQPEFNM-UYAOXDASSA-N 2 2 323.484 4.590 20 0 DJADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cs1 ZINC000469799234 339300912 /nfs/dbraw/zinc/30/09/12/339300912.db2.gz OEFVJVCRDJMAON-HNNXBMFYSA-N 2 2 323.550 4.572 20 0 DJADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cs1 ZINC000469799234 339300913 /nfs/dbraw/zinc/30/09/13/339300913.db2.gz OEFVJVCRDJMAON-HNNXBMFYSA-N 2 2 323.550 4.572 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)c[nH+]1 ZINC000474887671 339429929 /nfs/dbraw/zinc/42/99/29/339429929.db2.gz AUCIQVITOVTFHA-FQEVSTJZSA-N 2 2 312.432 4.511 20 0 DJADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)s1 ZINC000483432903 339665624 /nfs/dbraw/zinc/66/56/24/339665624.db2.gz KPNXEBPMTSECLD-STQMWFEESA-N 2 2 323.893 4.525 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc3ccccc31)CCC2 ZINC000483442137 339666027 /nfs/dbraw/zinc/66/60/27/339666027.db2.gz AEDLTHDJTKCJJT-SJLPKXTDSA-N 2 2 319.452 4.573 20 0 DJADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccco2)CCCC1)c1ccccc1 ZINC000484133071 339681531 /nfs/dbraw/zinc/68/15/31/339681531.db2.gz OZZJQLDUVYTGGK-SJORKVTESA-N 2 2 312.457 4.594 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503074411 340120319 /nfs/dbraw/zinc/12/03/19/340120319.db2.gz KHBIRICJCYOCCH-BMGDILEWSA-N 2 2 317.864 4.571 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503074411 340120320 /nfs/dbraw/zinc/12/03/20/340120320.db2.gz KHBIRICJCYOCCH-BMGDILEWSA-N 2 2 317.864 4.571 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503074413 340120376 /nfs/dbraw/zinc/12/03/76/340120376.db2.gz KHBIRICJCYOCCH-QGTPRVQTSA-N 2 2 317.864 4.571 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503074413 340120377 /nfs/dbraw/zinc/12/03/77/340120377.db2.gz KHBIRICJCYOCCH-QGTPRVQTSA-N 2 2 317.864 4.571 20 0 DJADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394898 340127204 /nfs/dbraw/zinc/12/72/04/340127204.db2.gz UGIKBIXMCIFMNR-AZUAARDMSA-N 2 2 323.484 4.550 20 0 DJADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394898 340127205 /nfs/dbraw/zinc/12/72/05/340127205.db2.gz UGIKBIXMCIFMNR-AZUAARDMSA-N 2 2 323.484 4.550 20 0 DJADLP Fc1ccc2c(Nc3ccc(N4CCCCC4)[nH+]c3)cc[nH+]c2c1 ZINC000507607096 340225975 /nfs/dbraw/zinc/22/59/75/340225975.db2.gz PJMZECZIVKIJAA-UHFFFAOYSA-N 2 2 322.387 4.503 20 0 DJADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)[nH]1 ZINC000510537825 340302150 /nfs/dbraw/zinc/30/21/50/340302150.db2.gz JMRUVKUFJIPZAE-MRXNPFEDSA-N 2 2 323.465 4.518 20 0 DJADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)[nH]1 ZINC000510537825 340302151 /nfs/dbraw/zinc/30/21/51/340302151.db2.gz JMRUVKUFJIPZAE-MRXNPFEDSA-N 2 2 323.465 4.518 20 0 DJADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(C2CC2)c1 ZINC000556057454 341492924 /nfs/dbraw/zinc/49/29/24/341492924.db2.gz DPGKGHHRLJLRKT-OAHLLOKOSA-N 2 2 319.452 4.724 20 0 DJADLP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530949745 331638395 /nfs/dbraw/zinc/63/83/95/331638395.db2.gz MXZABVPWDFXMNT-OAHLLOKOSA-N 2 2 311.473 4.648 20 0 DJADLP Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151716695 332606376 /nfs/dbraw/zinc/60/63/76/332606376.db2.gz AEVWXQBVNPIKQS-DLBZAZTESA-N 2 2 305.425 4.593 20 0 DJADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000180402680 333028094 /nfs/dbraw/zinc/02/80/94/333028094.db2.gz HRAGDNMSKKEBBG-SNVBAGLBSA-N 2 2 321.317 4.578 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000020551513 333321880 /nfs/dbraw/zinc/32/18/80/333321880.db2.gz FGODUMZVVFXGAT-LBPRGKRZSA-N 2 2 315.288 4.518 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000571206530 333682239 /nfs/dbraw/zinc/68/22/39/333682239.db2.gz DOGFPPSYJKZZJJ-FQEVSTJZSA-N 2 2 312.432 4.511 20 0 DJADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434988229 333736642 /nfs/dbraw/zinc/73/66/42/333736642.db2.gz ZHXZDCOVAAJISN-NSHDSACASA-N 2 2 324.255 4.657 20 0 DJADLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000531955399 334306829 /nfs/dbraw/zinc/30/68/29/334306829.db2.gz WPLRGEWBVZOKAP-KRWDZBQOSA-N 2 2 318.480 4.515 20 0 DJADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000531975054 334340793 /nfs/dbraw/zinc/34/07/93/334340793.db2.gz USPQVHIHRMKZIV-MSOLQXFVSA-N 2 2 319.452 4.901 20 0 DJADLP CCCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000343982231 335205096 /nfs/dbraw/zinc/20/50/96/335205096.db2.gz RBVGESLMYXUQNY-RBUKOAKNSA-N 2 2 311.473 4.590 20 0 DJADLP CCCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000343982228 335205194 /nfs/dbraw/zinc/20/51/94/335205194.db2.gz RBVGESLMYXUQNY-OALUTQOASA-N 2 2 311.473 4.590 20 0 DJADLP CCCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000343982233 335205386 /nfs/dbraw/zinc/20/53/86/335205386.db2.gz RBVGESLMYXUQNY-RTBURBONSA-N 2 2 311.473 4.590 20 0 DJADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000324400670 336211305 /nfs/dbraw/zinc/21/13/05/336211305.db2.gz SJHKYVKXQHMQGV-ZWKOTPCHSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000324400669 336211308 /nfs/dbraw/zinc/21/13/08/336211308.db2.gz SJHKYVKXQHMQGV-ROUUACIJSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000324400667 336211334 /nfs/dbraw/zinc/21/13/34/336211334.db2.gz SJHKYVKXQHMQGV-MSOLQXFVSA-N 2 2 319.452 4.901 20 0 DJADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)[nH]1 ZINC000352337310 336213040 /nfs/dbraw/zinc/21/30/40/336213040.db2.gz GHODPJVCLGYYPX-MRXNPFEDSA-N 2 2 323.465 4.518 20 0 DJADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)[nH]1 ZINC000352337310 336213041 /nfs/dbraw/zinc/21/30/41/336213041.db2.gz GHODPJVCLGYYPX-MRXNPFEDSA-N 2 2 323.465 4.518 20 0 DJADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccccc2)c(C)c1 ZINC000532736760 336268814 /nfs/dbraw/zinc/26/88/14/336268814.db2.gz GXMYRMNEZAPCPG-WIYYLYMNSA-N 2 2 319.452 4.592 20 0 DJADLP C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192932481 336285078 /nfs/dbraw/zinc/28/50/78/336285078.db2.gz BUWBSSOHPRKYMY-IIBYNOLFSA-N 2 2 317.436 4.601 20 0 DJADLP CCC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000361483337 336758735 /nfs/dbraw/zinc/75/87/35/336758735.db2.gz DINJMCAZHGLABI-FQEVSTJZSA-N 2 2 305.425 4.503 20 0 DJADLP CC(C)C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000361484846 336758738 /nfs/dbraw/zinc/75/87/38/336758738.db2.gz LDJDZQXVNSWEJV-OAQYLSRUSA-N 2 2 319.452 4.749 20 0 DJADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188723000 337274571 /nfs/dbraw/zinc/27/45/71/337274571.db2.gz LVXNNOLALPDXMM-INIZCTEOSA-N 2 2 317.436 4.601 20 0 DJADLP c1cn(CCCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)c[nH+]1 ZINC000321421188 337620314 /nfs/dbraw/zinc/62/03/14/337620314.db2.gz KKQDVOBGCKYWFQ-FQEVSTJZSA-N 2 2 311.473 4.575 20 0 DJADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1Cl ZINC000422767591 337685694 /nfs/dbraw/zinc/68/56/94/337685694.db2.gz SYKFFCJDYPQPTC-AMKSKSKJSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434986661 338228943 /nfs/dbraw/zinc/22/89/43/338228943.db2.gz PPQPIZHJKVGLBI-OAHLLOKOSA-N 2 2 305.425 4.504 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434986659 338228951 /nfs/dbraw/zinc/22/89/51/338228951.db2.gz PPQPIZHJKVGLBI-HNNXBMFYSA-N 2 2 305.425 4.504 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c[nH+]1 ZINC000437260515 338305007 /nfs/dbraw/zinc/30/50/07/338305007.db2.gz QWZSSNOPDFBGPT-UAPYVXQJSA-N 2 2 314.860 4.512 20 0 DJADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cc2ccccc2o1 ZINC000466896097 339220333 /nfs/dbraw/zinc/22/03/33/339220333.db2.gz QALIVSZVNQCZRJ-ZDUSSCGKSA-N 2 2 323.421 4.531 20 0 DJADLP CC(C)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000480692261 339583643 /nfs/dbraw/zinc/58/36/43/339583643.db2.gz YSCCGLQKARQBEI-KRWDZBQOSA-N 2 2 319.452 4.847 20 0 DJADLP Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000483844159 339676078 /nfs/dbraw/zinc/67/60/78/339676078.db2.gz ZAVAYSDVAQCQBG-QZTJIDSGSA-N 2 2 319.452 4.901 20 0 DJADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000303612905 340337926 /nfs/dbraw/zinc/33/79/26/340337926.db2.gz ZFRSYEVDHAPCIM-OAHLLOKOSA-N 2 2 316.876 4.559 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000191677195 340557458 /nfs/dbraw/zinc/55/74/58/340557458.db2.gz BPNDADLQWGZZPD-OAHLLOKOSA-N 2 2 319.408 4.548 20 0 DJADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000546227724 341157972 /nfs/dbraw/zinc/15/79/72/341157972.db2.gz MQTXADBQFZEMQN-MSOLQXFVSA-N 2 2 319.452 4.901 20 0 DJADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155188931 341603504 /nfs/dbraw/zinc/60/35/04/341603504.db2.gz XXMASTLPWSIANL-LBPRGKRZSA-N 2 2 324.255 4.588 20 0 DJADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1C ZINC000568272934 341662853 /nfs/dbraw/zinc/66/28/53/341662853.db2.gz DLJPXBCNRLRBPW-IBGZPJMESA-N 2 2 313.489 4.513 20 0 DJADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000560268938 332325794 /nfs/dbraw/zinc/32/57/94/332325794.db2.gz AJENPTZBERMZKW-KRWDZBQOSA-N 2 2 317.864 4.504 20 0 DJADLP C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151710265 332605338 /nfs/dbraw/zinc/60/53/38/332605338.db2.gz HWSBWOZVDALHCZ-KKSFZXQISA-N 2 2 317.436 4.601 20 0 DJADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151716619 332606407 /nfs/dbraw/zinc/60/64/07/332606407.db2.gz AEVWXQBVNPIKQS-IAGOWNOFSA-N 2 2 305.425 4.593 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531188753 333319595 /nfs/dbraw/zinc/31/95/95/333319595.db2.gz PNEJHIFVKYFTIH-HNNXBMFYSA-N 2 2 305.425 4.504 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000571602018 333819386 /nfs/dbraw/zinc/81/93/86/333819386.db2.gz JMROEDKWMNKZDL-GOSISDBHSA-N 2 2 310.485 4.669 20 0 DJADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccoc1 ZINC000531976596 334346721 /nfs/dbraw/zinc/34/67/21/334346721.db2.gz UYYVDCMCTZKLQQ-SJORKVTESA-N 2 2 312.457 4.594 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC3(CCCCC3)CC1)CCC2 ZINC000342197943 334520670 /nfs/dbraw/zinc/52/06/70/334520670.db2.gz ZFVBXBQGOINEJR-KRWDZBQOSA-N 2 2 315.505 4.552 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000358221674 336617689 /nfs/dbraw/zinc/61/76/89/336617689.db2.gz HSBSHZQJJLVJCF-FQEVSTJZSA-N 2 2 324.468 4.559 20 0 DJADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C2CC2)cc1 ZINC000418113761 336817109 /nfs/dbraw/zinc/81/71/09/336817109.db2.gz MUKPQXQWYADGGG-MRXNPFEDSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000584437190 337325059 /nfs/dbraw/zinc/32/50/59/337325059.db2.gz YACHTYURLOUJBD-QGZVFWFLSA-N 2 2 302.487 4.761 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000536824693 337604113 /nfs/dbraw/zinc/60/41/13/337604113.db2.gz CNNZDISWARRWKE-GOSISDBHSA-N 2 2 300.471 4.515 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1)CCC2 ZINC000533008792 337805387 /nfs/dbraw/zinc/80/53/87/337805387.db2.gz ZUEUFLZEMKWJHG-BZSNNMDCSA-N 2 2 317.521 4.654 20 0 DJADLP CCC(CC)(C[NH2+]Cc1occc1C)[NH2+][C@@H](C)c1ccccc1 ZINC000462725498 339084937 /nfs/dbraw/zinc/08/49/37/339084937.db2.gz MXNLOAXTMPOADR-KRWDZBQOSA-N 2 2 314.473 4.587 20 0 DJADLP Cc1cccn2c(C[NH2+][C@@H](CC(C)C)c3ccccc3C)c[nH+]c12 ZINC000462750022 339086764 /nfs/dbraw/zinc/08/67/64/339086764.db2.gz LOEWHGBAXBYAGP-FQEVSTJZSA-N 2 2 321.468 4.828 20 0 DJADLP Cc1ccc(CCC[NH2+][C@@H](CC(C)C)c2cccs2)c[nH+]1 ZINC000474601624 339419505 /nfs/dbraw/zinc/41/95/05/339419505.db2.gz JZSJQHSJNDLQEZ-KRWDZBQOSA-N 2 2 302.487 4.761 20 0 DJADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000479871689 339551858 /nfs/dbraw/zinc/55/18/58/339551858.db2.gz FZIBQOLEGBANRS-WMZOPIPTSA-N 2 2 314.498 4.544 20 0 DJADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc2ccccc21 ZINC000482254134 339627834 /nfs/dbraw/zinc/62/78/34/339627834.db2.gz SOYZJJPAOUXXEA-KRWDZBQOSA-N 2 2 319.452 4.778 20 0 DJADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000482875730 339645380 /nfs/dbraw/zinc/64/53/80/339645380.db2.gz SDXCTJPTVKZIEP-MRXNPFEDSA-N 2 2 319.452 4.743 20 0 DJADLP CC(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000483128683 339653102 /nfs/dbraw/zinc/65/31/02/339653102.db2.gz ISGUGVISJYAUOQ-QGZVFWFLSA-N 2 2 319.452 4.847 20 0 DJADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)s1 ZINC000483432898 339665493 /nfs/dbraw/zinc/66/54/93/339665493.db2.gz KPNXEBPMTSECLD-OLZOCXBDSA-N 2 2 323.893 4.525 20 0 DJADLP Cc1cccn2c(C[NH2+][C@H]3CCc4ccc(C(C)C)cc43)c[nH+]c12 ZINC000495162505 339977119 /nfs/dbraw/zinc/97/71/19/339977119.db2.gz AFQQQFNTDHMKFN-FQEVSTJZSA-N 2 2 319.452 4.543 20 0 DJADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000504906395 340155709 /nfs/dbraw/zinc/15/57/09/340155709.db2.gz XLVIQYQGBSZLFC-APWZRJJASA-N 2 2 317.436 4.519 20 0 DJADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)[nH]1 ZINC000510537824 340302131 /nfs/dbraw/zinc/30/21/31/340302131.db2.gz JMRUVKUFJIPZAE-INIZCTEOSA-N 2 2 323.465 4.518 20 0 DJADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)[nH]1 ZINC000510537824 340302132 /nfs/dbraw/zinc/30/21/32/340302132.db2.gz JMRUVKUFJIPZAE-INIZCTEOSA-N 2 2 323.465 4.518 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000521941842 340558404 /nfs/dbraw/zinc/55/84/04/340558404.db2.gz LMKXIXPOZINRDB-QGZVFWFLSA-N 2 2 304.437 4.827 20 0 DJADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000543396381 341042026 /nfs/dbraw/zinc/04/20/26/341042026.db2.gz HZUBEIRSTKFKPY-IBGZPJMESA-N 2 2 323.465 4.579 20 0 DJADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000543396381 341042027 /nfs/dbraw/zinc/04/20/27/341042027.db2.gz HZUBEIRSTKFKPY-IBGZPJMESA-N 2 2 323.465 4.579 20 0 DJADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@H](C)c1ccc(F)cc1 ZINC000564287252 341116556 /nfs/dbraw/zinc/11/65/56/341116556.db2.gz YRVSUQCDDRLCDA-MRXNPFEDSA-N 2 2 300.421 4.545 20 0 DJADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@H](C)c1ccc(F)cc1 ZINC000564287252 341116557 /nfs/dbraw/zinc/11/65/57/341116557.db2.gz YRVSUQCDDRLCDA-MRXNPFEDSA-N 2 2 300.421 4.545 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCc1ccc(Cl)s1 ZINC000564304651 341174124 /nfs/dbraw/zinc/17/41/24/341174124.db2.gz ZGJDTFPULGOMMS-UHFFFAOYSA-N 2 2 322.905 4.650 20 0 DJADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000547737799 341229483 /nfs/dbraw/zinc/22/94/83/341229483.db2.gz DPRPEAKVQICEHB-UUKMXZOPSA-N 2 2 323.484 4.563 20 0 DJADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3CCC(c4ccccc4)CC3)C2)[nH]1 ZINC000547737799 341229484 /nfs/dbraw/zinc/22/94/84/341229484.db2.gz DPRPEAKVQICEHB-UUKMXZOPSA-N 2 2 323.484 4.563 20 0 DJADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCCC34CCCC4)c2)c[nH+]1 ZINC000551000565 341328767 /nfs/dbraw/zinc/32/87/67/341328767.db2.gz FRTWKGYFYWNDCP-HXUWFJFHSA-N 2 2 323.484 4.524 20 0 DJADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCc1cc[nH+]cc1C ZINC000567771042 341632529 /nfs/dbraw/zinc/63/25/29/341632529.db2.gz NRZJGXUPKDXIGS-KRWDZBQOSA-N 2 2 322.374 4.524 20 0 DJADLP CC[C@H](C)c1ccc([C@H]([NH2+]Cc2c[nH+]c(C)n2C)C(C)C)cc1 ZINC000576360353 341842467 /nfs/dbraw/zinc/84/24/67/341842467.db2.gz LUEOAQQNAPRBOX-MGPUTAFESA-N 2 2 313.489 4.729 20 0 DJADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000157267176 525589427 /nfs/dbraw/zinc/58/94/27/525589427.db2.gz XHKFNNYWHDZWFQ-PZDALLCQSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1Cl ZINC000157256903 525589635 /nfs/dbraw/zinc/58/96/35/525589635.db2.gz CCTXUSWWVRTFED-PZDALLCQSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(C2CC2)c1 ZINC000340244684 131255031 /nfs/dbraw/zinc/25/50/31/131255031.db2.gz KGNUIOOABDUHNT-INIZCTEOSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCCC2)cc1 ZINC000556610962 331720078 /nfs/dbraw/zinc/72/00/78/331720078.db2.gz WCAYQNNBBFZQCE-NRFANRHFSA-N 2 2 323.484 4.549 20 0 DJADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C2CCCCC2)cc1 ZINC000427887171 332555306 /nfs/dbraw/zinc/55/53/06/332555306.db2.gz RXVBRILBZGEJSI-OXJNMPFZSA-N 2 2 323.484 4.596 20 0 DJADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000020012885 333305295 /nfs/dbraw/zinc/30/52/95/333305295.db2.gz YCXLHFJHLXFBLO-LBPRGKRZSA-N 2 2 315.288 4.517 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531188754 333319516 /nfs/dbraw/zinc/31/95/16/333319516.db2.gz PNEJHIFVKYFTIH-OAHLLOKOSA-N 2 2 305.425 4.504 20 0 DJADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537938750 333337643 /nfs/dbraw/zinc/33/76/43/333337643.db2.gz NWBUPKDRBVUKSG-HRAATJIYSA-N 2 2 317.436 4.519 20 0 DJADLP C[C@H](c1cccc2ccccc21)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427616 333351495 /nfs/dbraw/zinc/35/14/95/333351495.db2.gz STNKYLNYEIFQQX-OAHLLOKOSA-N 2 2 305.425 4.504 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000221824612 333368234 /nfs/dbraw/zinc/36/82/34/333368234.db2.gz BUWRGISPKSZSNE-SNVBAGLBSA-N 2 2 321.317 4.580 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)CCC2 ZINC000531732097 333553861 /nfs/dbraw/zinc/55/38/61/333553861.db2.gz QYTSTKAGMXDFSK-LPHOPBHVSA-N 2 2 311.473 4.543 20 0 DJADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccoc2)CCCC1)c1ccccc1 ZINC000531976593 334346856 /nfs/dbraw/zinc/34/68/56/334346856.db2.gz UYYVDCMCTZKLQQ-DLBZAZTESA-N 2 2 312.457 4.594 20 0 DJADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000443609831 338456532 /nfs/dbraw/zinc/45/65/32/338456532.db2.gz NICVWAVTMXBKAI-LLVKDONJSA-N 2 2 324.255 4.657 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)CCC2 ZINC000344094892 335217513 /nfs/dbraw/zinc/21/75/13/335217513.db2.gz GRVREZIRTKWMKO-VQTJNVASSA-N 2 2 323.484 4.590 20 0 DJADLP Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000532498890 336250803 /nfs/dbraw/zinc/25/08/03/336250803.db2.gz PQGJLXGBHWWWJN-ZWKOTPCHSA-N 2 2 319.452 4.901 20 0 DJADLP CC(C)[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000324880033 336269618 /nfs/dbraw/zinc/26/96/18/336269618.db2.gz MAWUQZNYZILODA-DYESRHJHSA-N 2 2 319.452 4.920 20 0 DJADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccs1 ZINC000482948993 336399905 /nfs/dbraw/zinc/39/99/05/336399905.db2.gz NZMMGUGTKRSXCH-LSDHHAIUSA-N 2 2 302.487 4.528 20 0 DJADLP C[C@@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000361011184 336732977 /nfs/dbraw/zinc/73/29/77/336732977.db2.gz CPGCJSZRDKMXDV-VQIMIIECSA-N 2 2 309.457 4.502 20 0 DJADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccc(C)cc1 ZINC000361861733 336775768 /nfs/dbraw/zinc/77/57/68/336775768.db2.gz GJWMGKFNKOLIPW-OAQYLSRUSA-N 2 2 319.452 4.730 20 0 DJADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188723021 337274533 /nfs/dbraw/zinc/27/45/33/337274533.db2.gz LVXNNOLALPDXMM-MRXNPFEDSA-N 2 2 317.436 4.601 20 0 DJADLP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(Cl)ccc1Cl ZINC000423059768 337697626 /nfs/dbraw/zinc/69/76/26/337697626.db2.gz GMFVZFFQIZSHHL-FDOKIQAASA-N 2 2 321.251 4.789 20 0 DJADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)c2ccccc21 ZINC000423138248 337701170 /nfs/dbraw/zinc/70/11/70/337701170.db2.gz XLWYRMVPOCORRP-RBSFLKMASA-N 2 2 318.873 4.513 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000536828587 337733590 /nfs/dbraw/zinc/73/35/90/337733590.db2.gz ULKYCBYWAXLBDR-MRXNPFEDSA-N 2 2 308.425 4.646 20 0 DJADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000527903742 337769931 /nfs/dbraw/zinc/76/99/31/337769931.db2.gz ZBRNQDQBWHBFEE-JKSUJKDBSA-N 2 2 311.473 4.584 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)CCC2 ZINC000533008799 337805254 /nfs/dbraw/zinc/80/52/54/337805254.db2.gz ZUEUFLZEMKWJHG-OKZBNKHCSA-N 2 2 317.521 4.654 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000430215907 338101765 /nfs/dbraw/zinc/10/17/65/338101765.db2.gz FODFQDBFMRZZBC-OAHLLOKOSA-N 2 2 320.889 4.705 20 0 DJADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434988228 338228982 /nfs/dbraw/zinc/22/89/82/338228982.db2.gz ZHXZDCOVAAJISN-LLVKDONJSA-N 2 2 324.255 4.657 20 0 DJADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000156574103 338371359 /nfs/dbraw/zinc/37/13/59/338371359.db2.gz MMPMGRGUUIRKBO-KFNAQCHYSA-N 2 2 315.288 4.517 20 0 DJADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000156574103 338371360 /nfs/dbraw/zinc/37/13/60/338371360.db2.gz MMPMGRGUUIRKBO-KFNAQCHYSA-N 2 2 315.288 4.517 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469739399 339297381 /nfs/dbraw/zinc/29/73/81/339297381.db2.gz IYBCQUHHEBCFNS-LLGFUMIMSA-N 2 2 319.452 4.680 20 0 DJADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469739399 339297382 /nfs/dbraw/zinc/29/73/82/339297382.db2.gz IYBCQUHHEBCFNS-LLGFUMIMSA-N 2 2 319.452 4.680 20 0 DJADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)cs1 ZINC000469799235 339300944 /nfs/dbraw/zinc/30/09/44/339300944.db2.gz OEFVJVCRDJMAON-OAHLLOKOSA-N 2 2 323.550 4.572 20 0 DJADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cs1 ZINC000469799235 339300945 /nfs/dbraw/zinc/30/09/45/339300945.db2.gz OEFVJVCRDJMAON-OAHLLOKOSA-N 2 2 323.550 4.572 20 0 DJADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cccc3ccccc32)c[nH+]1 ZINC000474478226 339416738 /nfs/dbraw/zinc/41/67/38/339416738.db2.gz VUEFGHFKTIRVPK-KRWDZBQOSA-N 2 2 304.437 4.827 20 0 DJADLP CC(C)C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccs1 ZINC000482248642 339627507 /nfs/dbraw/zinc/62/75/07/339627507.db2.gz XQRSEUIZDLZEPX-MRXNPFEDSA-N 2 2 317.502 4.712 20 0 DJADLP Cc1cccn2c(C[NH2+][C@@H]3CCc4ccc(C(C)C)cc43)c[nH+]c12 ZINC000495162506 339977098 /nfs/dbraw/zinc/97/70/98/339977098.db2.gz AFQQQFNTDHMKFN-HXUWFJFHSA-N 2 2 319.452 4.543 20 0 DJADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(C2CC2)c1 ZINC000516588614 340114150 /nfs/dbraw/zinc/11/41/50/340114150.db2.gz LSEVWOTVLFWOHB-MRXNPFEDSA-N 2 2 309.457 4.502 20 0 DJADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394900 340127190 /nfs/dbraw/zinc/12/71/90/340127190.db2.gz UGIKBIXMCIFMNR-ICSRJNTNSA-N 2 2 323.484 4.550 20 0 DJADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394900 340127191 /nfs/dbraw/zinc/12/71/91/340127191.db2.gz UGIKBIXMCIFMNR-ICSRJNTNSA-N 2 2 323.484 4.550 20 0 DJADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000504919564 340156223 /nfs/dbraw/zinc/15/62/23/340156223.db2.gz LEFJVYLKWSVQPG-JXFKEZNVSA-N 2 2 317.436 4.519 20 0 DJADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(Cl)s1)c1ccccc1 ZINC000510294777 340295310 /nfs/dbraw/zinc/29/53/10/340295310.db2.gz JDPBAOZATFJHJD-ZDUSSCGKSA-N 2 2 322.905 4.621 20 0 DJADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000315985666 340677750 /nfs/dbraw/zinc/67/77/50/340677750.db2.gz OYPXKLJYKZOCEW-SJLPKXTDSA-N 2 2 314.498 4.544 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000537940441 340792057 /nfs/dbraw/zinc/79/20/57/340792057.db2.gz KBICARIZECWTJB-GFCCVEGCSA-N 2 2 309.240 4.590 20 0 DJADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000564287245 341116508 /nfs/dbraw/zinc/11/65/08/341116508.db2.gz YRVSUQCDDRLCDA-INIZCTEOSA-N 2 2 300.421 4.545 20 0 DJADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H](C)c1ccc(F)cc1 ZINC000564287245 341116509 /nfs/dbraw/zinc/11/65/09/341116509.db2.gz YRVSUQCDDRLCDA-INIZCTEOSA-N 2 2 300.421 4.545 20 0 DJADLP Cc1ccc2[nH+]ccc(N3CCC(c4ccc(C)[nH+]c4)CC3)c2c1 ZINC000545473611 341126676 /nfs/dbraw/zinc/12/66/76/341126676.db2.gz NGKBGUPYUXGOHA-UHFFFAOYSA-N 2 2 317.436 4.631 20 0 DJADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000574601185 341763469 /nfs/dbraw/zinc/76/34/69/341763469.db2.gz UKPRKDNHDOGYFK-WHSLLNHNSA-N 2 2 317.436 4.771 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000576028282 341821033 /nfs/dbraw/zinc/82/10/33/341821033.db2.gz CVDUCJRZJMIQOU-AWEZNQCLSA-N 2 2 322.374 4.692 20 0 DJADLP C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171404976 332645021 /nfs/dbraw/zinc/64/50/21/332645021.db2.gz LQHUVXQHNTYTKI-KDOFPFPSSA-N 2 2 323.465 4.662 20 0 DJADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537938753 333337563 /nfs/dbraw/zinc/33/75/63/333337563.db2.gz NWBUPKDRBVUKSG-KKSFZXQISA-N 2 2 317.436 4.519 20 0 DJADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414942772 334202949 /nfs/dbraw/zinc/20/29/49/334202949.db2.gz MXPOXTONCYOOAI-CXAGYDPISA-N 2 2 324.390 4.550 20 0 DJADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccoc1 ZINC000531976595 334346781 /nfs/dbraw/zinc/34/67/81/334346781.db2.gz UYYVDCMCTZKLQQ-IRXDYDNUSA-N 2 2 312.457 4.594 20 0 DJADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)[nH]1 ZINC000352337309 336212997 /nfs/dbraw/zinc/21/29/97/336212997.db2.gz GHODPJVCLGYYPX-INIZCTEOSA-N 2 2 323.465 4.518 20 0 DJADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)[nH]1 ZINC000352337309 336212998 /nfs/dbraw/zinc/21/29/98/336212998.db2.gz GHODPJVCLGYYPX-INIZCTEOSA-N 2 2 323.465 4.518 20 0 DJADLP Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000532498889 336250893 /nfs/dbraw/zinc/25/08/93/336250893.db2.gz PQGJLXGBHWWWJN-ROUUACIJSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000532498888 336250904 /nfs/dbraw/zinc/25/09/04/336250904.db2.gz PQGJLXGBHWWWJN-QZTJIDSGSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423068576 337698126 /nfs/dbraw/zinc/69/81/26/337698126.db2.gz CCVYOSZYUPRAKV-JEBQAFNWSA-N 2 2 306.409 4.537 20 0 DJADLP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)s1 ZINC000423396328 337715342 /nfs/dbraw/zinc/71/53/42/337715342.db2.gz NRMNWZJXXHBAJD-RDTXWAMCSA-N 2 2 310.466 4.560 20 0 DJADLP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)s1 ZINC000423396326 337715362 /nfs/dbraw/zinc/71/53/62/337715362.db2.gz NRMNWZJXXHBAJD-KSSFIOAISA-N 2 2 310.466 4.560 20 0 DJADLP C[C@H](c1cccc2ccccc21)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000533075155 337810438 /nfs/dbraw/zinc/81/04/38/337810438.db2.gz MDBFWCLCTPZMGA-OAHLLOKOSA-N 2 2 305.425 4.504 20 0 DJADLP Cc1ccc(CCC[NH2+][C@@H]2CCCc3sc(Cl)cc32)c[nH+]1 ZINC000430218365 338101952 /nfs/dbraw/zinc/10/19/52/338101952.db2.gz KAPVOMPRVNTFDH-OAHLLOKOSA-N 2 2 320.889 4.705 20 0 DJADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434984508 338228745 /nfs/dbraw/zinc/22/87/45/338228745.db2.gz APUAOCSBUKCKNC-LLVKDONJSA-N 2 2 324.255 4.657 20 0 DJADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@H](C(C)C)c4ccccc43)c[nH+]c12 ZINC000447976882 338573446 /nfs/dbraw/zinc/57/34/46/338573446.db2.gz MCDUXZKDGCAZPA-WOJBJXKFSA-N 2 2 319.452 4.617 20 0 DJADLP Cc1[nH+]cn(-c2ccc([NH2+]C3CCC(C(F)F)CC3)cc2)c1C ZINC000463038667 339102495 /nfs/dbraw/zinc/10/24/95/339102495.db2.gz ZENWYYNUUDRKEV-UHFFFAOYSA-N 2 2 319.399 4.725 20 0 DJADLP C[C@@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000463221980 339110242 /nfs/dbraw/zinc/11/02/42/339110242.db2.gz NDKAVRQHMATQMD-IBGZPJMESA-N 2 2 319.452 4.537 20 0 DJADLP C[C@@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000463221980 339110243 /nfs/dbraw/zinc/11/02/43/339110243.db2.gz NDKAVRQHMATQMD-IBGZPJMESA-N 2 2 319.452 4.537 20 0 DJADLP Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000467341996 339232574 /nfs/dbraw/zinc/23/25/74/339232574.db2.gz RCTDRJLOPUBPOI-AZUAARDMSA-N 2 2 323.484 4.590 20 0 DJADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1csc(Cl)c1 ZINC000469182778 339282276 /nfs/dbraw/zinc/28/22/76/339282276.db2.gz YUROSQBGLAVECQ-NSHDSACASA-N 2 2 319.861 4.561 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccccc2C(F)(F)F)c[nH+]1 ZINC000474597035 339419160 /nfs/dbraw/zinc/41/91/60/339419160.db2.gz IWTPPBXTNIRWKD-CQSZACIVSA-N 2 2 322.374 4.692 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c[nH+]1 ZINC000474725463 339424155 /nfs/dbraw/zinc/42/41/55/339424155.db2.gz DSPVPAREFBXFJH-FQEVSTJZSA-N 2 2 312.432 4.593 20 0 DJADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000475197139 339441120 /nfs/dbraw/zinc/44/11/20/339441120.db2.gz XGPUNRJZZNJUPQ-SFTDATJTSA-N 2 2 308.469 4.639 20 0 DJADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000482875725 339645409 /nfs/dbraw/zinc/64/54/09/339645409.db2.gz SDXCTJPTVKZIEP-INIZCTEOSA-N 2 2 319.452 4.743 20 0 DJADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(Cl)sc1Cl ZINC000484493208 339687856 /nfs/dbraw/zinc/68/78/56/339687856.db2.gz OBWBPQSAUUNXHK-GARJFASQSA-N 2 2 321.317 4.578 20 0 DJADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000504906396 340155626 /nfs/dbraw/zinc/15/56/26/340155626.db2.gz XLVIQYQGBSZLFC-LPHOPBHVSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396507 341041985 /nfs/dbraw/zinc/04/19/85/341041985.db2.gz KFTXSWITNMFWIR-IBGZPJMESA-N 2 2 323.465 4.579 20 0 DJADLP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396507 341041986 /nfs/dbraw/zinc/04/19/86/341041986.db2.gz KFTXSWITNMFWIR-IBGZPJMESA-N 2 2 323.465 4.579 20 0 DJADLP c1c[nH+]c(C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)[nH]1 ZINC000547747384 341230035 /nfs/dbraw/zinc/23/00/35/341230035.db2.gz NFJHVEXZXSMFQL-UHFFFAOYSA-N 2 2 323.484 4.563 20 0 DJADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000078725130 341246673 /nfs/dbraw/zinc/24/66/73/341246673.db2.gz ROTGHGDACLTHCU-HNNXBMFYSA-N 2 2 316.876 4.559 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000550701276 341321587 /nfs/dbraw/zinc/32/15/87/341321587.db2.gz XLXPGVOCXYIZGJ-OAHLLOKOSA-N 2 2 308.400 4.576 20 0 DJADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1Cl ZINC000227534855 525636647 /nfs/dbraw/zinc/63/66/47/525636647.db2.gz CCTXUSWWVRTFED-HKJPBSJPSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC000181389307 332193031 /nfs/dbraw/zinc/19/30/31/332193031.db2.gz GXZOYPUNDLKUNS-HNNXBMFYSA-N 2 2 319.408 4.523 20 0 DJADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151666405 332600988 /nfs/dbraw/zinc/60/09/88/332600988.db2.gz RZUFFFYXHKOBNN-KKSFZXQISA-N 2 2 317.436 4.519 20 0 DJADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000518775919 333128532 /nfs/dbraw/zinc/12/85/32/333128532.db2.gz ISYIDHNLWFHTSU-LUJVZZROSA-N 2 2 320.480 4.515 20 0 DJADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000518775919 333128533 /nfs/dbraw/zinc/12/85/33/333128533.db2.gz ISYIDHNLWFHTSU-LUJVZZROSA-N 2 2 320.480 4.515 20 0 DJADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000320229665 333457494 /nfs/dbraw/zinc/45/74/94/333457494.db2.gz DNLNLRGLMCUFLM-OXQOHEQNSA-N 2 2 305.425 4.674 20 0 DJADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414942777 334202996 /nfs/dbraw/zinc/20/29/96/334202996.db2.gz MXPOXTONCYOOAI-GUYCJALGSA-N 2 2 324.390 4.550 20 0 DJADLP c1cn(-c2cccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)c2)c[nH+]1 ZINC000531966794 334325271 /nfs/dbraw/zinc/32/52/71/334325271.db2.gz BCFPSZZLZHBWTM-NRFANRHFSA-N 2 2 317.436 4.503 20 0 DJADLP CCCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC000343982223 335205197 /nfs/dbraw/zinc/20/51/97/335205197.db2.gz RBVGESLMYXUQNY-MOPGFXCFSA-N 2 2 311.473 4.590 20 0 DJADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000532736757 336268920 /nfs/dbraw/zinc/26/89/20/336268920.db2.gz GXMYRMNEZAPCPG-GHTZIAJQSA-N 2 2 319.452 4.592 20 0 DJADLP CC(C)[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000324880035 336269521 /nfs/dbraw/zinc/26/95/21/336269521.db2.gz MAWUQZNYZILODA-UTKZUKDTSA-N 2 2 319.452 4.920 20 0 DJADLP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000324880034 336269569 /nfs/dbraw/zinc/26/95/69/336269569.db2.gz MAWUQZNYZILODA-LAUBAEHRSA-N 2 2 319.452 4.920 20 0 DJADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325112974 336279363 /nfs/dbraw/zinc/27/93/63/336279363.db2.gz IHNXUNSQTNRLJH-SJORKVTESA-N 2 2 319.452 4.847 20 0 DJADLP CC(C)C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000361484845 336758727 /nfs/dbraw/zinc/75/87/27/336758727.db2.gz LDJDZQXVNSWEJV-NRFANRHFSA-N 2 2 319.452 4.749 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000584476382 337346585 /nfs/dbraw/zinc/34/65/85/337346585.db2.gz DCIVPGIXPARWCX-UHFFFAOYSA-N 2 2 310.466 4.669 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1csc2ccccc12 ZINC000584476382 337346586 /nfs/dbraw/zinc/34/65/86/337346586.db2.gz DCIVPGIXPARWCX-UHFFFAOYSA-N 2 2 310.466 4.669 20 0 DJADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422825857 337688246 /nfs/dbraw/zinc/68/82/46/337688246.db2.gz QBQQAVYSXDDNSO-SLFFLAALSA-N 2 2 324.468 4.517 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423068575 337698131 /nfs/dbraw/zinc/69/81/31/337698131.db2.gz CCVYOSZYUPRAKV-FSPWUOQZSA-N 2 2 306.409 4.537 20 0 DJADLP CCC(CC)[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000462359640 339076697 /nfs/dbraw/zinc/07/66/97/339076697.db2.gz NCTRMKOXQRRDHA-FQEVSTJZSA-N 2 2 321.468 4.910 20 0 DJADLP Cc1cccn2c(C[NH2+][C@H](CC(C)C)c3ccccc3C)c[nH+]c12 ZINC000462750023 339086778 /nfs/dbraw/zinc/08/67/78/339086778.db2.gz LOEWHGBAXBYAGP-HXUWFJFHSA-N 2 2 321.468 4.828 20 0 DJADLP c1cc2[nH+]ccc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2s1 ZINC000462921140 339098097 /nfs/dbraw/zinc/09/80/97/339098097.db2.gz YZJATFPLBSTZRB-SFHVURJKSA-N 2 2 323.465 4.545 20 0 DJADLP C[C@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000463230175 339110596 /nfs/dbraw/zinc/11/05/96/339110596.db2.gz NDKAVRQHMATQMD-LJQANCHMSA-N 2 2 319.452 4.537 20 0 DJADLP C[C@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000463230175 339110597 /nfs/dbraw/zinc/11/05/97/339110597.db2.gz NDKAVRQHMATQMD-LJQANCHMSA-N 2 2 319.452 4.537 20 0 DJADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467149928 339226983 /nfs/dbraw/zinc/22/69/83/339226983.db2.gz QOTDBYNTJYVTCI-LLVKDONJSA-N 2 2 324.255 4.657 20 0 DJADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1F ZINC000479522911 339539332 /nfs/dbraw/zinc/53/93/32/339539332.db2.gz DWRYGMREVSKQSO-KVULBXGLSA-N 2 2 324.871 4.537 20 0 DJADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)s1 ZINC000483432895 339665606 /nfs/dbraw/zinc/66/56/06/339665606.db2.gz KPNXEBPMTSECLD-CHWSQXEVSA-N 2 2 323.893 4.525 20 0 DJADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000504919567 340156164 /nfs/dbraw/zinc/15/61/64/340156164.db2.gz LEFJVYLKWSVQPG-UZLBHIALSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000504919565 340156231 /nfs/dbraw/zinc/15/62/31/340156231.db2.gz LEFJVYLKWSVQPG-OXJNMPFZSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000191724394 340558026 /nfs/dbraw/zinc/55/80/26/340558026.db2.gz BIUYBMGVOHOVQI-HNNXBMFYSA-N 2 2 319.408 4.548 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000550701275 341321685 /nfs/dbraw/zinc/32/16/85/341321685.db2.gz XLXPGVOCXYIZGJ-HNNXBMFYSA-N 2 2 308.400 4.576 20 0 DJADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000551563813 341345670 /nfs/dbraw/zinc/34/56/70/341345670.db2.gz KKXFKHARZKOQAD-HXUWFJFHSA-N 2 2 323.484 4.510 20 0 DJADLP c1[nH+]c2n(c1C[NH2+][C@H](c1ccccc1)C1CCCCC1)CCCC2 ZINC000551811870 341352738 /nfs/dbraw/zinc/35/27/38/341352738.db2.gz HSGWFVCZCKDOJY-OAQYLSRUSA-N 2 2 323.484 4.631 20 0 DJADLP C[C@H](Nc1cccc2cc[nH+]cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000325191527 341710841 /nfs/dbraw/zinc/71/08/41/341710841.db2.gz BIDKLIOADXWKQI-HNNXBMFYSA-N 2 2 314.392 4.594 20 0 DJADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C2CC2)c1 ZINC000340196988 131134491 /nfs/dbraw/zinc/13/44/91/131134491.db2.gz LNPQVBKCSRHDBR-MRXNPFEDSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000584020727 331581118 /nfs/dbraw/zinc/58/11/18/331581118.db2.gz PQQQIBIIHNIUQB-UAPYVXQJSA-N 2 2 314.860 4.512 20 0 DJADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C2CCCCC2)cc1 ZINC000427887172 332555470 /nfs/dbraw/zinc/55/54/70/332555470.db2.gz RXVBRILBZGEJSI-OXQOHEQNSA-N 2 2 323.484 4.596 20 0 DJADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518775921 333128623 /nfs/dbraw/zinc/12/86/23/333128623.db2.gz ISYIDHNLWFHTSU-XEMWLZHMSA-N 2 2 320.480 4.515 20 0 DJADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518775921 333128625 /nfs/dbraw/zinc/12/86/25/333128625.db2.gz ISYIDHNLWFHTSU-XEMWLZHMSA-N 2 2 320.480 4.515 20 0 DJADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537938751 333337679 /nfs/dbraw/zinc/33/76/79/333337679.db2.gz NWBUPKDRBVUKSG-IERDGZPVSA-N 2 2 317.436 4.519 20 0 DJADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000324880036 336269491 /nfs/dbraw/zinc/26/94/91/336269491.db2.gz MAWUQZNYZILODA-UWJYYQICSA-N 2 2 319.452 4.920 20 0 DJADLP C[C@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000361011182 336732897 /nfs/dbraw/zinc/73/28/97/336732897.db2.gz CPGCJSZRDKMXDV-LPHOPBHVSA-N 2 2 309.457 4.502 20 0 DJADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1Cl ZINC000422767592 337685594 /nfs/dbraw/zinc/68/55/94/337685594.db2.gz SYKFFCJDYPQPTC-CIISACIHSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cc(Cl)ccc1Cl ZINC000423059769 337697682 /nfs/dbraw/zinc/69/76/82/337697682.db2.gz GMFVZFFQIZSHHL-GPNNCHTKSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(Cl)ccc1Cl ZINC000423059770 337697774 /nfs/dbraw/zinc/69/77/74/337697774.db2.gz GMFVZFFQIZSHHL-LWNYNHHKSA-N 2 2 321.251 4.789 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423068574 337698124 /nfs/dbraw/zinc/69/81/24/337698124.db2.gz CCVYOSZYUPRAKV-BVGQSLNGSA-N 2 2 306.409 4.537 20 0 DJADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cs1 ZINC000423389717 337718272 /nfs/dbraw/zinc/71/82/72/337718272.db2.gz JNTWSNIMMOKYOM-IFXJQAMLSA-N 2 2 310.466 4.560 20 0 DJADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(C2CC2)c1 ZINC000449351323 338616593 /nfs/dbraw/zinc/61/65/93/338616593.db2.gz ORSHIFGQRGSKOJ-AWEZNQCLSA-N 2 2 323.465 4.662 20 0 DJADLP Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000453254062 338814867 /nfs/dbraw/zinc/81/48/67/338814867.db2.gz JIRVCDOXYGFYFE-HZPDHXFCSA-N 2 2 323.415 4.732 20 0 DJADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000459424428 339028296 /nfs/dbraw/zinc/02/82/96/339028296.db2.gz QUQFIGATSSQMQI-INIZCTEOSA-N 2 2 317.436 4.601 20 0 DJADLP CCC(CC)(C[NH2+]Cc1occc1C)[NH2+][C@H](C)c1ccccc1 ZINC000462725499 339084987 /nfs/dbraw/zinc/08/49/87/339084987.db2.gz MXNLOAXTMPOADR-QGZVFWFLSA-N 2 2 314.473 4.587 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469739400 339297348 /nfs/dbraw/zinc/29/73/48/339297348.db2.gz IYBCQUHHEBCFNS-LZJOCLMNSA-N 2 2 319.452 4.680 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000469739400 339297349 /nfs/dbraw/zinc/29/73/49/339297349.db2.gz IYBCQUHHEBCFNS-LZJOCLMNSA-N 2 2 319.452 4.680 20 0 DJADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(Cl)s1 ZINC000474732504 339424544 /nfs/dbraw/zinc/42/45/44/339424544.db2.gz YUMHKTZRWIRQGX-AWEZNQCLSA-N 2 2 308.878 4.778 20 0 DJADLP C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480250588 339565339 /nfs/dbraw/zinc/56/53/39/339565339.db2.gz RVDWHKUZVPEJCV-KUHUBIRLSA-N 2 2 323.465 4.736 20 0 DJADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2ccccc2c1 ZINC000482254519 339627817 /nfs/dbraw/zinc/62/78/17/339627817.db2.gz UBDVRFFDBBUCKM-QGZVFWFLSA-N 2 2 319.452 4.778 20 0 DJADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(C2CC2)c1 ZINC000516588613 340114670 /nfs/dbraw/zinc/11/46/70/340114670.db2.gz LSEVWOTVLFWOHB-INIZCTEOSA-N 2 2 309.457 4.502 20 0 DJADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(Cl)s1)c1ccccc1 ZINC000510294776 340295300 /nfs/dbraw/zinc/29/53/00/340295300.db2.gz JDPBAOZATFJHJD-CYBMUJFWSA-N 2 2 322.905 4.621 20 0 DJADLP Cc1ccc([C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C2CC2)cc1 ZINC000539201222 340876155 /nfs/dbraw/zinc/87/61/55/340876155.db2.gz RTDNYDMQJUYKDC-NRFANRHFSA-N 2 2 319.452 4.545 20 0 DJADLP Cc1ccc(C2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c[nH+]1 ZINC000543048789 341029300 /nfs/dbraw/zinc/02/93/00/341029300.db2.gz DTAGVRKWEVXQGD-UHFFFAOYSA-N 2 2 317.436 4.631 20 0 DJADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000546227726 341158207 /nfs/dbraw/zinc/15/82/07/341158207.db2.gz MQTXADBQFZEMQN-ROUUACIJSA-N 2 2 319.452 4.901 20 0 DJADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCCC34CCCC4)c2)c[nH+]1 ZINC000551000564 341328831 /nfs/dbraw/zinc/32/88/31/341328831.db2.gz FRTWKGYFYWNDCP-FQEVSTJZSA-N 2 2 323.484 4.524 20 0 DJADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171941974 341788621 /nfs/dbraw/zinc/78/86/21/341788621.db2.gz LQUIKUDEJRJSEB-LBPRGKRZSA-N 2 2 324.255 4.588 20 0 DJADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(C2CC2)c1 ZINC000340206168 131170035 /nfs/dbraw/zinc/17/00/35/131170035.db2.gz TXIMOZQPFVWHCC-MRXNPFEDSA-N 2 2 317.436 4.601 20 0 DJADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(C2CC2)c1 ZINC000340244685 131255272 /nfs/dbraw/zinc/25/52/72/131255272.db2.gz KGNUIOOABDUHNT-MRXNPFEDSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000521114379 332703387 /nfs/dbraw/zinc/70/33/87/332703387.db2.gz ABBRQQJDCWVRCA-IBGZPJMESA-N 2 2 314.860 4.717 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000020551514 333321797 /nfs/dbraw/zinc/32/17/97/333321797.db2.gz FGODUMZVVFXGAT-GFCCVEGCSA-N 2 2 315.288 4.518 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000537940442 333348322 /nfs/dbraw/zinc/34/83/22/333348322.db2.gz KBICARIZECWTJB-LBPRGKRZSA-N 2 2 309.240 4.590 20 0 DJADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000324400668 336211315 /nfs/dbraw/zinc/21/13/15/336211315.db2.gz SJHKYVKXQHMQGV-QZTJIDSGSA-N 2 2 319.452 4.901 20 0 DJADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325112973 336279300 /nfs/dbraw/zinc/27/93/00/336279300.db2.gz IHNXUNSQTNRLJH-IRXDYDNUSA-N 2 2 319.452 4.847 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000583720143 337317625 /nfs/dbraw/zinc/31/76/25/337317625.db2.gz SWJBUHLNJOSINR-AWEZNQCLSA-N 2 2 322.374 4.692 20 0 DJADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(Cl)ccc1Cl ZINC000422777873 337686166 /nfs/dbraw/zinc/68/61/66/337686166.db2.gz GMFVZFFQIZSHHL-HKJPBSJPSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000442776359 338430485 /nfs/dbraw/zinc/43/04/85/338430485.db2.gz DGCXLQCCHPWCIU-OOHWJJMZSA-N 2 2 324.459 4.529 20 0 DJADLP CCC(CC)[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000462359646 339076672 /nfs/dbraw/zinc/07/66/72/339076672.db2.gz NCTRMKOXQRRDHA-HXUWFJFHSA-N 2 2 321.468 4.910 20 0 DJADLP c1cc2[nH+]ccc(NC[C@H](c3ccccc3)[NH+]3CCCC3)c2s1 ZINC000462921139 339098085 /nfs/dbraw/zinc/09/80/85/339098085.db2.gz YZJATFPLBSTZRB-GOSISDBHSA-N 2 2 323.465 4.545 20 0 DJADLP Cc1ccc[nH+]c1[C@H]1CCC[C@H](Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000467341997 339232609 /nfs/dbraw/zinc/23/26/09/339232609.db2.gz RCTDRJLOPUBPOI-ICSRJNTNSA-N 2 2 323.484 4.590 20 0 DJADLP Cc1ccc(CCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c[nH+]1 ZINC000474942718 339432709 /nfs/dbraw/zinc/43/27/09/339432709.db2.gz OLUUIDAWKXJAAN-OAQYLSRUSA-N 2 2 324.443 4.687 20 0 DJADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1F ZINC000479522912 339539309 /nfs/dbraw/zinc/53/93/09/339539309.db2.gz DWRYGMREVSKQSO-MQBCKMQZSA-N 2 2 324.871 4.537 20 0 DJADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)s1 ZINC000481407027 339603480 /nfs/dbraw/zinc/60/34/80/339603480.db2.gz REWXZRNGQWIYJU-LLVKDONJSA-N 2 2 319.861 4.561 20 0 DJADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000483816672 339675082 /nfs/dbraw/zinc/67/50/82/339675082.db2.gz FDMOPIBLBYIWCR-ROUUACIJSA-N 2 2 319.452 4.901 20 0 DJADLP c1c[nH+]c(C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)[nH]1 ZINC000512365444 340359021 /nfs/dbraw/zinc/35/90/21/340359021.db2.gz YNBANXHCERUHNA-UHFFFAOYSA-N 2 2 323.465 4.518 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000539041623 340866481 /nfs/dbraw/zinc/86/64/81/340866481.db2.gz NZYNLTXAMGKEGM-HXUWFJFHSA-N 2 2 324.468 4.559 20 0 DJADLP Cc1ccc(CCC[NH2+]C(C)(C)c2ccc(Cl)cc2)c[nH+]1 ZINC000560267312 332325846 /nfs/dbraw/zinc/32/58/46/332325846.db2.gz WPGFUUXMDGXGLZ-UHFFFAOYSA-N 2 2 302.849 4.501 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000560569074 332360784 /nfs/dbraw/zinc/36/07/84/332360784.db2.gz BDNUBBPFOIQIRJ-FQEVSTJZSA-N 2 2 306.453 4.550 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000560569074 332360786 /nfs/dbraw/zinc/36/07/86/332360786.db2.gz BDNUBBPFOIQIRJ-FQEVSTJZSA-N 2 2 306.453 4.550 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(C)cc1)C1CCC1)CCC2 ZINC000427711053 332496315 /nfs/dbraw/zinc/49/63/15/332496315.db2.gz HRFBAEGZTQOQLV-WOJBJXKFSA-N 2 2 323.484 4.508 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000561948112 332519574 /nfs/dbraw/zinc/51/95/74/332519574.db2.gz KOTCANPBNPNWQI-LEWJYISDSA-N 2 2 308.469 4.639 20 0 DJADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C2CCCCC2)cc1 ZINC000427887170 332555461 /nfs/dbraw/zinc/55/54/61/332555461.db2.gz RXVBRILBZGEJSI-JXFKEZNVSA-N 2 2 323.484 4.596 20 0 DJADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000151716468 332606336 /nfs/dbraw/zinc/60/63/36/332606336.db2.gz AEVWXQBVNPIKQS-SJORKVTESA-N 2 2 305.425 4.593 20 0 DJADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414942780 334202975 /nfs/dbraw/zinc/20/29/75/334202975.db2.gz MXPOXTONCYOOAI-SUMWQHHRSA-N 2 2 324.390 4.550 20 0 DJADLP c1cn(-c2cccc(C[NH2+][C@H](CC3CC3)c3ccccc3)c2)c[nH+]1 ZINC000531966795 334325330 /nfs/dbraw/zinc/32/53/30/334325330.db2.gz BCFPSZZLZHBWTM-OAQYLSRUSA-N 2 2 317.436 4.503 20 0 DJADLP c1csc(-c2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2)c1 ZINC000444661103 338479895 /nfs/dbraw/zinc/47/98/95/338479895.db2.gz KZQRCSNOEADWPY-UHFFFAOYSA-N 2 2 323.465 4.518 20 0 DJADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000360587570 336715508 /nfs/dbraw/zinc/71/55/08/336715508.db2.gz CQELTIRKQPRTCR-OXJNMPFZSA-N 2 2 317.436 4.601 20 0 DJADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000360587571 336715518 /nfs/dbraw/zinc/71/55/18/336715518.db2.gz CQELTIRKQPRTCR-OXQOHEQNSA-N 2 2 317.436 4.601 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000582812438 337184643 /nfs/dbraw/zinc/18/46/43/337184643.db2.gz GBLPGFMPOJSKBQ-FOIQADDNSA-N 2 2 312.432 4.545 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000582812438 337184644 /nfs/dbraw/zinc/18/46/44/337184644.db2.gz GBLPGFMPOJSKBQ-FOIQADDNSA-N 2 2 312.432 4.545 20 0 DJADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000582912391 337216914 /nfs/dbraw/zinc/21/69/14/337216914.db2.gz DCDFVGASRLQPFF-INIZCTEOSA-N 2 2 308.425 4.728 20 0 DJADLP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cc(Cl)ccc1Cl ZINC000423059771 337697702 /nfs/dbraw/zinc/69/77/02/337697702.db2.gz GMFVZFFQIZSHHL-YKJXYISPSA-N 2 2 321.251 4.789 20 0 DJADLP CC(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121362700 337892593 /nfs/dbraw/zinc/89/25/93/337892593.db2.gz BYRHPWCJXYFVFY-QGZVFWFLSA-N 2 2 323.484 4.525 20 0 DJADLP Cc1cccn2c(C[NH2+][C@@H](CC(C)(C)C)c3ccccc3)c[nH+]c12 ZINC000462679971 339083988 /nfs/dbraw/zinc/08/39/88/339083988.db2.gz SHLNWNXCMPDSFQ-IBGZPJMESA-N 2 2 321.468 4.910 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc3ccccc31)CCC2 ZINC000483442136 339666034 /nfs/dbraw/zinc/66/60/34/339666034.db2.gz AEDLTHDJTKCJJT-FUHWJXTLSA-N 2 2 319.452 4.573 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503074414 340120366 /nfs/dbraw/zinc/12/03/66/340120366.db2.gz KHBIRICJCYOCCH-ZTFGCOKTSA-N 2 2 317.864 4.571 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503074414 340120367 /nfs/dbraw/zinc/12/03/67/340120367.db2.gz KHBIRICJCYOCCH-ZTFGCOKTSA-N 2 2 317.864 4.571 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CCC(C)C)C(C)(C)C)CCC2 ZINC000564149584 340481896 /nfs/dbraw/zinc/48/18/96/340481896.db2.gz ZIKPVBIKEYRZEX-SJORKVTESA-N 2 2 305.510 4.509 20 0 DJADLP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1Cl ZINC000227534850 340599991 /nfs/dbraw/zinc/59/99/91/340599991.db2.gz CCTXUSWWVRTFED-LWNYNHHKSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1Cl ZINC000227534842 340600009 /nfs/dbraw/zinc/60/00/09/340600009.db2.gz CCTXUSWWVRTFED-FDOKIQAASA-N 2 2 321.251 4.789 20 0 DJADLP CC(C)(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000236657456 340663448 /nfs/dbraw/zinc/66/34/48/340663448.db2.gz TXSKMQLGNGXSJG-FQEVSTJZSA-N 2 2 319.452 4.749 20 0 DJADLP Cc1ccc([C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C2CCC2)o1 ZINC000542666638 341016300 /nfs/dbraw/zinc/01/63/00/341016300.db2.gz PRYADSZNXVQJFQ-FQEVSTJZSA-N 2 2 323.440 4.528 20 0 DJADLP Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000546227727 341158182 /nfs/dbraw/zinc/15/81/82/341158182.db2.gz MQTXADBQFZEMQN-ZWKOTPCHSA-N 2 2 319.452 4.901 20 0 DJADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCCC23CCCC3)c[nH+]1 ZINC000550995102 341328550 /nfs/dbraw/zinc/32/85/50/341328550.db2.gz BOOHRQWSQGHODP-HXUWFJFHSA-N 2 2 323.484 4.524 20 0 DJADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCCC23CCCC3)c[nH+]1 ZINC000550995101 341328574 /nfs/dbraw/zinc/32/85/74/341328574.db2.gz BOOHRQWSQGHODP-FQEVSTJZSA-N 2 2 323.484 4.524 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000564376134 341332183 /nfs/dbraw/zinc/33/21/83/341332183.db2.gz FPZGCMKEWLFDML-UHFFFAOYSA-N 2 2 316.448 4.702 20 0 DJADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000574726123 341767133 /nfs/dbraw/zinc/76/71/33/341767133.db2.gz KSCODZDZMFRDEZ-KRWDZBQOSA-N 2 2 323.484 4.592 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000580635859 341889752 /nfs/dbraw/zinc/88/97/52/341889752.db2.gz AGZJAHCFLGLNHU-IBGZPJMESA-N 2 2 318.411 4.588 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000558409788 331903954 /nfs/dbraw/zinc/90/39/54/331903954.db2.gz VGCVCEZHNQNKSF-CTNGQTDRSA-N 2 2 308.469 4.639 20 0 DJADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000560268939 332325675 /nfs/dbraw/zinc/32/56/75/332325675.db2.gz AJENPTZBERMZKW-QGZVFWFLSA-N 2 2 317.864 4.504 20 0 DJADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000151703319 332604903 /nfs/dbraw/zinc/60/49/03/332604903.db2.gz KCBAOFIIPCZWML-IERDGZPVSA-N 2 2 317.436 4.519 20 0 DJADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518775913 333128612 /nfs/dbraw/zinc/12/86/12/333128612.db2.gz ISYIDHNLWFHTSU-AWLAMKMTSA-N 2 2 320.480 4.515 20 0 DJADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518775913 333128614 /nfs/dbraw/zinc/12/86/14/333128614.db2.gz ISYIDHNLWFHTSU-AWLAMKMTSA-N 2 2 320.480 4.515 20 0 DJADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000518775920 333128722 /nfs/dbraw/zinc/12/87/22/333128722.db2.gz ISYIDHNLWFHTSU-NXWBBDIXSA-N 2 2 320.480 4.515 20 0 DJADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000518775920 333128723 /nfs/dbraw/zinc/12/87/23/333128723.db2.gz ISYIDHNLWFHTSU-NXWBBDIXSA-N 2 2 320.480 4.515 20 0 DJADLP Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000497675462 333277202 /nfs/dbraw/zinc/27/72/02/333277202.db2.gz GIOFBBPDPXLMNC-GOSISDBHSA-N 2 2 319.452 4.648 20 0 DJADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000497675463 333277216 /nfs/dbraw/zinc/27/72/16/333277216.db2.gz GIOFBBPDPXLMNC-SFHVURJKSA-N 2 2 319.452 4.648 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000221824434 333368333 /nfs/dbraw/zinc/36/83/33/333368333.db2.gz OLCDMALMMNPDHB-GFCCVEGCSA-N 2 2 315.288 4.518 20 0 DJADLP c1cn(-c2ccccc2C[NH2+][C@H](CC2CC2)c2ccccc2)c[nH+]1 ZINC000531951538 334309235 /nfs/dbraw/zinc/30/92/35/334309235.db2.gz BBBCAJOSNXZPFB-HXUWFJFHSA-N 2 2 317.436 4.503 20 0 DJADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccs1 ZINC000482948990 336399937 /nfs/dbraw/zinc/39/99/37/336399937.db2.gz NZMMGUGTKRSXCH-GJZGRUSLSA-N 2 2 302.487 4.528 20 0 DJADLP c1[nH]cc(C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)[nH+]1 ZINC000537624052 337948892 /nfs/dbraw/zinc/94/88/92/337948892.db2.gz SADAQIROLBOYQU-UHFFFAOYSA-N 2 2 323.465 4.518 20 0 DJADLP CC(C)CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccoc1 ZINC000428237520 338043603 /nfs/dbraw/zinc/04/36/03/338043603.db2.gz KQFLWSLBLWFKJZ-LJQANCHMSA-N 2 2 323.440 4.732 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000430215904 338101824 /nfs/dbraw/zinc/10/18/24/338101824.db2.gz FODFQDBFMRZZBC-HNNXBMFYSA-N 2 2 320.889 4.705 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C3CCCC3)cc1)CCC2 ZINC000462777532 339087995 /nfs/dbraw/zinc/08/79/95/339087995.db2.gz MRUINJMXJYMGBT-FQEVSTJZSA-N 2 2 323.484 4.516 20 0 DJADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467149929 339227000 /nfs/dbraw/zinc/22/70/00/339227000.db2.gz QOTDBYNTJYVTCI-NSHDSACASA-N 2 2 324.255 4.657 20 0 DJADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000479871687 339551910 /nfs/dbraw/zinc/55/19/10/339551910.db2.gz FZIBQOLEGBANRS-FUHWJXTLSA-N 2 2 314.498 4.544 20 0 DJADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000483816671 339675142 /nfs/dbraw/zinc/67/51/42/339675142.db2.gz FDMOPIBLBYIWCR-QZTJIDSGSA-N 2 2 319.452 4.901 20 0 DJADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394902 340127242 /nfs/dbraw/zinc/12/72/42/340127242.db2.gz UGIKBIXMCIFMNR-QUCCMNQESA-N 2 2 323.484 4.550 20 0 DJADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503394902 340127243 /nfs/dbraw/zinc/12/72/43/340127243.db2.gz UGIKBIXMCIFMNR-QUCCMNQESA-N 2 2 323.484 4.550 20 0 DJADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000543396186 341041946 /nfs/dbraw/zinc/04/19/46/341041946.db2.gz BSTVHCGSEVNBCO-IBGZPJMESA-N 2 2 323.465 4.579 20 0 DJADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000543396186 341041947 /nfs/dbraw/zinc/04/19/47/341041947.db2.gz BSTVHCGSEVNBCO-IBGZPJMESA-N 2 2 323.465 4.579 20 0 DJADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1Cl ZINC000227534846 525586494 /nfs/dbraw/zinc/58/64/94/525586494.db2.gz CCTXUSWWVRTFED-LZVXQISVSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(C2CC2)c1 ZINC000340196987 131133876 /nfs/dbraw/zinc/13/38/76/131133876.db2.gz LNPQVBKCSRHDBR-INIZCTEOSA-N 2 2 317.436 4.601 20 0 DJADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000020012888 333274889 /nfs/dbraw/zinc/27/48/89/333274889.db2.gz YCXLHFJHLXFBLO-GFCCVEGCSA-N 2 2 315.288 4.517 20 0 DJADLP c1cn(-c2ccccc2C[NH2+][C@@H](CC2CC2)c2ccccc2)c[nH+]1 ZINC000531951537 334309470 /nfs/dbraw/zinc/30/94/70/334309470.db2.gz BBBCAJOSNXZPFB-FQEVSTJZSA-N 2 2 317.436 4.503 20 0 DJADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000531975056 334340746 /nfs/dbraw/zinc/34/07/46/334340746.db2.gz USPQVHIHRMKZIV-ROUUACIJSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)CCC2 ZINC000344094887 335217481 /nfs/dbraw/zinc/21/74/81/335217481.db2.gz GRVREZIRTKWMKO-UXHICEINSA-N 2 2 323.484 4.590 20 0 DJADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(-c2ccccc2)c1 ZINC000532195029 335913876 /nfs/dbraw/zinc/91/38/76/335913876.db2.gz LSEDQDPKMNSEJI-SFHVURJKSA-N 2 2 319.452 4.681 20 0 DJADLP Cc1ccc2[nH+]cc(C[NH2+]C3(c4ccccc4)CCCCC3)n2c1 ZINC000532495622 336250871 /nfs/dbraw/zinc/25/08/71/336250871.db2.gz KUUQMYTWKQKRPT-UHFFFAOYSA-N 2 2 319.452 4.592 20 0 DJADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000532736759 336268765 /nfs/dbraw/zinc/26/87/65/336268765.db2.gz GXMYRMNEZAPCPG-RXVVDRJESA-N 2 2 319.452 4.592 20 0 DJADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000325112972 336279308 /nfs/dbraw/zinc/27/93/08/336279308.db2.gz IHNXUNSQTNRLJH-IAGOWNOFSA-N 2 2 319.452 4.847 20 0 DJADLP C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192932495 336285141 /nfs/dbraw/zinc/28/51/41/336285141.db2.gz BUWBSSOHPRKYMY-KKSFZXQISA-N 2 2 317.436 4.601 20 0 DJADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccs1 ZINC000482948992 336399995 /nfs/dbraw/zinc/39/99/95/336399995.db2.gz NZMMGUGTKRSXCH-HUUCEWRRSA-N 2 2 302.487 4.528 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000582812598 337184746 /nfs/dbraw/zinc/18/47/46/337184746.db2.gz MULQYFZGKLHPJE-UHFFFAOYSA-N 2 2 308.469 4.639 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000536824999 337604143 /nfs/dbraw/zinc/60/41/43/337604143.db2.gz DOXGNNVLQUXTAM-GFCCVEGCSA-N 2 2 309.240 4.590 20 0 DJADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)s1 ZINC000423396324 337715364 /nfs/dbraw/zinc/71/53/64/337715364.db2.gz NRMNWZJXXHBAJD-KDOFPFPSSA-N 2 2 310.466 4.560 20 0 DJADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(C2CC2)c1 ZINC000449351332 338616430 /nfs/dbraw/zinc/61/64/30/338616430.db2.gz ORSHIFGQRGSKOJ-CQSZACIVSA-N 2 2 323.465 4.662 20 0 DJADLP CCc1ccc([C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C(C)C)cc1 ZINC000462670038 339083706 /nfs/dbraw/zinc/08/37/06/339083706.db2.gz WPNFLFQNAJZQLG-HXUWFJFHSA-N 2 2 321.468 4.692 20 0 DJADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1Cc2ccccc2C1 ZINC000463079532 339104811 /nfs/dbraw/zinc/10/48/11/339104811.db2.gz DQDHKXOOKVEFSA-UHFFFAOYSA-N 2 2 319.452 4.531 20 0 DJADLP Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000467373924 339235079 /nfs/dbraw/zinc/23/50/79/339235079.db2.gz RDRQNEIKQPEFNM-AZUAARDMSA-N 2 2 323.484 4.590 20 0 DJADLP Cc1ccc[nH+]c1[C@H]1CCC[C@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000467373925 339235179 /nfs/dbraw/zinc/23/51/79/339235179.db2.gz RDRQNEIKQPEFNM-ICSRJNTNSA-N 2 2 323.484 4.590 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469739398 339297407 /nfs/dbraw/zinc/29/74/07/339297407.db2.gz IYBCQUHHEBCFNS-CBGDNZLLSA-N 2 2 319.452 4.680 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000469739398 339297408 /nfs/dbraw/zinc/29/74/08/339297408.db2.gz IYBCQUHHEBCFNS-CBGDNZLLSA-N 2 2 319.452 4.680 20 0 DJADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000475197135 339441117 /nfs/dbraw/zinc/44/11/17/339441117.db2.gz XGPUNRJZZNJUPQ-NHCUHLMSSA-N 2 2 308.469 4.639 20 0 DJADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000479871686 339551846 /nfs/dbraw/zinc/55/18/46/339551846.db2.gz FZIBQOLEGBANRS-AEFFLSMTSA-N 2 2 314.498 4.544 20 0 DJADLP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000481537909 339605982 /nfs/dbraw/zinc/60/59/82/339605982.db2.gz WCCVFEYYPNWOCZ-KRWDZBQOSA-N 2 2 319.452 4.847 20 0 DJADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(Cl)sc1Cl ZINC000484493201 339687818 /nfs/dbraw/zinc/68/78/18/339687818.db2.gz OBWBPQSAUUNXHK-AXFHLTTASA-N 2 2 321.317 4.578 20 0 DJADLP Cc1ccc([C@@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc2)cc1 ZINC000495043870 339971105 /nfs/dbraw/zinc/97/11/05/339971105.db2.gz FLNYPARQXHFRJV-QFIPXVFZSA-N 2 2 316.448 4.620 20 0 DJADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000504906397 340155671 /nfs/dbraw/zinc/15/56/71/340155671.db2.gz XLVIQYQGBSZLFC-QFBILLFUSA-N 2 2 317.436 4.519 20 0 DJADLP c1cn(C2CC[NH+](Cc3ccc(C4CCCCC4)cc3)CC2)c[nH+]1 ZINC000509347639 340266846 /nfs/dbraw/zinc/26/68/46/340266846.db2.gz BIFOTTBNZWJPFB-UHFFFAOYSA-N 2 2 323.484 4.768 20 0 DJADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000191724617 340558150 /nfs/dbraw/zinc/55/81/50/340558150.db2.gz BPNDADLQWGZZPD-HNNXBMFYSA-N 2 2 319.408 4.548 20 0 DJADLP Cc1ccc([C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C2CCC2)o1 ZINC000542666639 341016289 /nfs/dbraw/zinc/01/62/89/341016289.db2.gz PRYADSZNXVQJFQ-HXUWFJFHSA-N 2 2 323.440 4.528 20 0 DJADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1C ZINC000568272935 341662942 /nfs/dbraw/zinc/66/29/42/341662942.db2.gz DLJPXBCNRLRBPW-LJQANCHMSA-N 2 2 313.489 4.513 20 0 DJADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1Cl ZINC000157257191 525636073 /nfs/dbraw/zinc/63/60/73/525636073.db2.gz CCTXUSWWVRTFED-POJUEXTFSA-N 2 2 321.251 4.789 20 0 DJADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2c(ccc3ccccc23)o1 ZINC000181389326 332193045 /nfs/dbraw/zinc/19/30/45/332193045.db2.gz GXZOYPUNDLKUNS-OAHLLOKOSA-N 2 2 319.408 4.523 20 0 DJADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537938752 333337653 /nfs/dbraw/zinc/33/76/53/333337653.db2.gz NWBUPKDRBVUKSG-IIBYNOLFSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000531975057 334340687 /nfs/dbraw/zinc/34/06/87/334340687.db2.gz USPQVHIHRMKZIV-ZWKOTPCHSA-N 2 2 319.452 4.901 20 0 DJADLP Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000532498887 336250839 /nfs/dbraw/zinc/25/08/39/336250839.db2.gz PQGJLXGBHWWWJN-MSOLQXFVSA-N 2 2 319.452 4.901 20 0 DJADLP c1c[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)[nH]1 ZINC000352855356 336280758 /nfs/dbraw/zinc/28/07/58/336280758.db2.gz XCQVFAKWXNEDJS-UHFFFAOYSA-N 2 2 323.465 4.518 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000582812439 337184603 /nfs/dbraw/zinc/18/46/03/337184603.db2.gz GBLPGFMPOJSKBQ-MGPUTAFESA-N 2 2 312.432 4.545 20 0 DJADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000582812439 337184604 /nfs/dbraw/zinc/18/46/04/337184604.db2.gz GBLPGFMPOJSKBQ-MGPUTAFESA-N 2 2 312.432 4.545 20 0 DJADLP Cc1ccccc1[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCC1 ZINC000571974956 337584948 /nfs/dbraw/zinc/58/49/48/337584948.db2.gz SUUQCEGKJVWFSP-OAQYLSRUSA-N 2 2 323.484 4.549 20 0 DJADLP CC[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)c1ccsc1 ZINC000423361301 337714315 /nfs/dbraw/zinc/71/43/15/337714315.db2.gz ACOZPADTWIPTEC-RBUKOAKNSA-N 2 2 310.466 4.642 20 0 DJADLP CC(C)c1cccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000527855974 337769403 /nfs/dbraw/zinc/76/94/03/337769403.db2.gz ZLKJAVLASMWFNX-QGZVFWFLSA-N 2 2 323.484 4.525 20 0 DJADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1csc(Cl)c1 ZINC000469182727 339282369 /nfs/dbraw/zinc/28/23/69/339282369.db2.gz YUROSQBGLAVECQ-LLVKDONJSA-N 2 2 319.861 4.561 20 0 DJADLP Cc1cc(C)c(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000469761989 339298036 /nfs/dbraw/zinc/29/80/36/339298036.db2.gz CZOSLOCKKGJFQT-GOSISDBHSA-N 2 2 319.452 4.648 20 0 DJADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000469761990 339298061 /nfs/dbraw/zinc/29/80/61/339298061.db2.gz CZOSLOCKKGJFQT-SFHVURJKSA-N 2 2 319.452 4.648 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182287 339339717 /nfs/dbraw/zinc/33/97/17/339339717.db2.gz QPJJOZCHYPWQLD-DNVCBOLYSA-N 2 2 305.425 4.504 20 0 DJADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182287 339339718 /nfs/dbraw/zinc/33/97/18/339339718.db2.gz QPJJOZCHYPWQLD-DNVCBOLYSA-N 2 2 305.425 4.504 20 0 DJADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC2CCCC2)CC1 ZINC000482903098 339646688 /nfs/dbraw/zinc/64/66/88/339646688.db2.gz PIAHNALXDGFSLZ-UHFFFAOYSA-N 2 2 311.473 4.562 20 0 DJADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000484053755 339680164 /nfs/dbraw/zinc/68/01/64/339680164.db2.gz CEDGRGQCPXMVJT-NRFANRHFSA-N 2 2 319.452 4.812 20 0 DJADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1Cl ZINC000237408512 340670712 /nfs/dbraw/zinc/67/07/12/340670712.db2.gz FFJAPWOAVBRBHL-OAHLLOKOSA-N 2 2 320.908 4.788 20 0 DJADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000315985667 340677725 /nfs/dbraw/zinc/67/77/25/340677725.db2.gz OYPXKLJYKZOCEW-WMZOPIPTSA-N 2 2 314.498 4.544 20 0 DJADLP c1[nH]cc(C2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)[nH+]1 ZINC000548720323 341270481 /nfs/dbraw/zinc/27/04/81/341270481.db2.gz KKXNJCNCGDLFLR-UHFFFAOYSA-N 2 2 323.484 4.563 20 0 DJADLP c1[nH+]c2n(c1C[NH2+][C@@H](c1ccccc1)C1CCCCC1)CCCC2 ZINC000551811864 341352641 /nfs/dbraw/zinc/35/26/41/341352641.db2.gz HSGWFVCZCKDOJY-NRFANRHFSA-N 2 2 323.484 4.631 20 0 DJADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000157267464 525636259 /nfs/dbraw/zinc/63/62/59/525636259.db2.gz XHKFNNYWHDZWFQ-POJUEXTFSA-N 2 2 321.251 4.789 20 0 DJADLP Cc1ccc(CCC[NH2+]CCCCc2ccc(Cl)s2)c[nH+]1 ZINC000556616462 331720504 /nfs/dbraw/zinc/72/05/04/331720504.db2.gz LTUYMDDAFYSYGS-UHFFFAOYSA-N 2 2 322.905 4.650 20 0 DJADLP Cc1ccc2cc([C@H](C)[NH2+]CCCCNc3cccc[nH+]3)oc2c1 ZINC000426063188 335098840 /nfs/dbraw/zinc/09/88/40/335098840.db2.gz RVLBDZYUTDLEFC-INIZCTEOSA-N 2 2 323.440 4.679 20 0 DJADLP Cc1ccc2cc([C@@H](C)[NH2+]CCCCNc3cccc[nH+]3)oc2c1 ZINC000426063189 335098856 /nfs/dbraw/zinc/09/88/56/335098856.db2.gz RVLBDZYUTDLEFC-MRXNPFEDSA-N 2 2 323.440 4.679 20 0 DJADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(C)cc1)C1CCC1)CCC2 ZINC000427711050 332496325 /nfs/dbraw/zinc/49/63/25/332496325.db2.gz HRFBAEGZTQOQLV-UXHICEINSA-N 2 2 323.484 4.508 20 0 DJADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151666655 332600934 /nfs/dbraw/zinc/60/09/34/332600934.db2.gz RZUFFFYXHKOBNN-IIBYNOLFSA-N 2 2 317.436 4.519 20 0 DJADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000151703125 332605023 /nfs/dbraw/zinc/60/50/23/332605023.db2.gz KCBAOFIIPCZWML-KKSFZXQISA-N 2 2 317.436 4.519 20 0 DJADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000180402663 333028067 /nfs/dbraw/zinc/02/80/67/333028067.db2.gz HRAGDNMSKKEBBG-JTQLQIEISA-N 2 2 321.317 4.578 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000019230236 333260519 /nfs/dbraw/zinc/26/05/19/333260519.db2.gz KMGOSZSYWKGRQA-GFCCVEGCSA-N 2 2 315.288 4.518 20 0 DJADLP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427615 333351376 /nfs/dbraw/zinc/35/13/76/333351376.db2.gz STNKYLNYEIFQQX-HNNXBMFYSA-N 2 2 305.425 4.504 20 0 DJADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000221824564 333368370 /nfs/dbraw/zinc/36/83/70/333368370.db2.gz BUWRGISPKSZSNE-JTQLQIEISA-N 2 2 321.317 4.580 20 0 DJADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000571206531 333682216 /nfs/dbraw/zinc/68/22/16/333682216.db2.gz DOGFPPSYJKZZJJ-HXUWFJFHSA-N 2 2 312.432 4.511 20 0 DJADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000414847968 334120391 /nfs/dbraw/zinc/12/03/91/334120391.db2.gz PGSCJFJLDQZACC-CJNGLKHVSA-N 2 2 316.411 4.521 20 0 DJADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccoc1 ZINC000531976594 334346826 /nfs/dbraw/zinc/34/68/26/334346826.db2.gz UYYVDCMCTZKLQQ-IAGOWNOFSA-N 2 2 312.457 4.594 20 0 DJADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)CCc3ccco3)cc2)c1C ZINC000582155698 334921941 /nfs/dbraw/zinc/92/19/41/334921941.db2.gz AVYXRIJCUVPNPI-CQSZACIVSA-N 2 2 309.413 4.515 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)CCC2 ZINC000344094883 335217529 /nfs/dbraw/zinc/21/75/29/335217529.db2.gz GRVREZIRTKWMKO-PMACEKPBSA-N 2 2 323.484 4.590 20 0 DJADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000325114500 336279338 /nfs/dbraw/zinc/27/93/38/336279338.db2.gz KTASQJBEQBAPET-DYESRHJHSA-N 2 2 319.452 4.983 20 0 DJADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000397534396 337273959 /nfs/dbraw/zinc/27/39/59/337273959.db2.gz NJYWMLDCNDDFLA-LBPRGKRZSA-N 2 2 309.240 4.590 20 0 DJADLP Cc1ccccc1[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCC1 ZINC000571974955 337584906 /nfs/dbraw/zinc/58/49/06/337584906.db2.gz SUUQCEGKJVWFSP-NRFANRHFSA-N 2 2 323.484 4.549 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423068577 337698114 /nfs/dbraw/zinc/69/81/14/337698114.db2.gz CCVYOSZYUPRAKV-XWIAVFTESA-N 2 2 306.409 4.537 20 0 DJADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1)CCC2 ZINC000533008798 337805366 /nfs/dbraw/zinc/80/53/66/337805366.db2.gz ZUEUFLZEMKWJHG-KSZLIROESA-N 2 2 317.521 4.654 20 0 DJADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C[C@H](C(C)C)c4ccccc43)n2c1 ZINC000447965717 338573141 /nfs/dbraw/zinc/57/31/41/338573141.db2.gz JCIYSJPSAJAEJE-WOJBJXKFSA-N 2 2 319.452 4.617 20 0 DJADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)CCC(F)(F)F)cc2)c1C ZINC000463030770 339101868 /nfs/dbraw/zinc/10/18/68/339101868.db2.gz ADGGIUQAMMUOCI-LLVKDONJSA-N 2 2 311.351 4.632 20 0 DJADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467156946 339227058 /nfs/dbraw/zinc/22/70/58/339227058.db2.gz CVVVNCAKTOQSIN-LLVKDONJSA-N 2 2 324.255 4.657 20 0 DJADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467156947 339227085 /nfs/dbraw/zinc/22/70/85/339227085.db2.gz CVVVNCAKTOQSIN-NSHDSACASA-N 2 2 324.255 4.657 20 0 DJADLP Cc1ccc[nH+]c1[C@@H]1CCC[C@H](Nc2cccc(C[NH+](C)C)c2)C1 ZINC000467373926 339235062 /nfs/dbraw/zinc/23/50/62/339235062.db2.gz RDRQNEIKQPEFNM-QUCCMNQESA-N 2 2 323.484 4.590 20 0 DJADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(Cl)s1 ZINC000483432901 339665554 /nfs/dbraw/zinc/66/55/54/339665554.db2.gz KPNXEBPMTSECLD-QWHCGFSZSA-N 2 2 323.893 4.525 20 0 DJADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000483830317 339675330 /nfs/dbraw/zinc/67/53/30/339675330.db2.gz CMDFSCRTPYMFLO-DYESRHJHSA-N 2 2 319.452 4.983 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503074412 340120208 /nfs/dbraw/zinc/12/02/08/340120208.db2.gz KHBIRICJCYOCCH-OLMNPRSZSA-N 2 2 317.864 4.571 20 0 DJADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503074412 340120209 /nfs/dbraw/zinc/12/02/09/340120209.db2.gz KHBIRICJCYOCCH-OLMNPRSZSA-N 2 2 317.864 4.571 20 0 DJADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000303612903 340337930 /nfs/dbraw/zinc/33/79/30/340337930.db2.gz ZFRSYEVDHAPCIM-HNNXBMFYSA-N 2 2 316.876 4.559 20 0 DJADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000191676937 340557535 /nfs/dbraw/zinc/55/75/35/340557535.db2.gz BIUYBMGVOHOVQI-OAHLLOKOSA-N 2 2 319.408 4.548 20 0 DJADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000551563812 341345688 /nfs/dbraw/zinc/34/56/88/341345688.db2.gz KKXFKHARZKOQAD-FQEVSTJZSA-N 2 2 323.484 4.510 20 0 DJADLP