smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386022 540009062 /nfs/dbraw/zinc/00/90/62/540009062.db2.gz GGFXBIVDHXGHDY-MRXNPFEDSA-N 2 2 347.459 1.488 20 70 EDIDLP COc1ccccc1OCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386022 540009064 /nfs/dbraw/zinc/00/90/64/540009064.db2.gz GGFXBIVDHXGHDY-MRXNPFEDSA-N 2 2 347.459 1.488 20 70 EDIDLP CNC(=O)NC(=O)C[N@H+](C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159490796 206248320 /nfs/dbraw/zinc/24/83/20/206248320.db2.gz BDGGJSBWHFLZGH-GJZGRUSLSA-N 2 2 346.475 1.530 20 70 EDIDLP CNC(=O)NC(=O)C[N@@H+](C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159490796 206248324 /nfs/dbraw/zinc/24/83/24/206248324.db2.gz BDGGJSBWHFLZGH-GJZGRUSLSA-N 2 2 346.475 1.530 20 70 EDIDLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159980317 206272898 /nfs/dbraw/zinc/27/28/98/206272898.db2.gz DUUUCABSOMFGOG-INIZCTEOSA-N 2 2 333.480 1.639 20 70 EDIDLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159980317 206272902 /nfs/dbraw/zinc/27/29/02/206272902.db2.gz DUUUCABSOMFGOG-INIZCTEOSA-N 2 2 333.480 1.639 20 70 EDIDLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159638628 441826103 /nfs/dbraw/zinc/82/61/03/441826103.db2.gz KCNBEBTZOUXJOS-HDICACEKSA-N 2 2 329.444 1.485 20 70 EDIDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@H+](C)CC(=O)NC(N)=O ZINC000159490393 206248815 /nfs/dbraw/zinc/24/88/15/206248815.db2.gz SAXCDHNOQIEQNC-KBPBESRZSA-N 2 2 332.448 1.270 20 70 EDIDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@@H+](C)CC(=O)NC(N)=O ZINC000159490393 206248819 /nfs/dbraw/zinc/24/88/19/206248819.db2.gz SAXCDHNOQIEQNC-KBPBESRZSA-N 2 2 332.448 1.270 20 70 EDIDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160613424 441902259 /nfs/dbraw/zinc/90/22/59/441902259.db2.gz OWUJPIVUCLLZEE-JSGCOSHPSA-N 2 2 344.381 1.560 20 70 EDIDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160613424 441902263 /nfs/dbraw/zinc/90/22/63/441902263.db2.gz OWUJPIVUCLLZEE-JSGCOSHPSA-N 2 2 344.381 1.560 20 70 EDIDLP CC[N@@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000159938899 540017098 /nfs/dbraw/zinc/01/70/98/540017098.db2.gz JHUKXAAOBVTJDO-UHFFFAOYSA-N 2 2 329.448 1.922 20 70 EDIDLP CC[N@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000159938899 540017100 /nfs/dbraw/zinc/01/71/00/540017100.db2.gz JHUKXAAOBVTJDO-UHFFFAOYSA-N 2 2 329.448 1.922 20 70 EDIDLP CCC(CC)(C[NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000161265008 441978106 /nfs/dbraw/zinc/97/81/06/441978106.db2.gz HKLJUAOVRBEVJP-UHFFFAOYSA-N 2 2 343.475 1.744 20 70 EDIDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160144941 206282596 /nfs/dbraw/zinc/28/25/96/206282596.db2.gz FQPSNFDEPMVDRT-GOSISDBHSA-N 2 2 345.491 1.783 20 70 EDIDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160144941 206282599 /nfs/dbraw/zinc/28/25/99/206282599.db2.gz FQPSNFDEPMVDRT-GOSISDBHSA-N 2 2 345.491 1.783 20 70 EDIDLP O=C(C[N@@H+]1CCc2sccc2C1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159965369 441851177 /nfs/dbraw/zinc/85/11/77/441851177.db2.gz KRZQQVOIFDJPNA-OAHLLOKOSA-N 2 2 337.489 1.069 20 70 EDIDLP O=C(C[N@H+]1CCc2sccc2C1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159965369 441851187 /nfs/dbraw/zinc/85/11/87/441851187.db2.gz KRZQQVOIFDJPNA-OAHLLOKOSA-N 2 2 337.489 1.069 20 70 EDIDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160313933 441870483 /nfs/dbraw/zinc/87/04/83/441870483.db2.gz CJIMPDASZSDNHV-HNNXBMFYSA-N 2 2 326.485 1.223 20 70 EDIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000159396982 441810519 /nfs/dbraw/zinc/81/05/19/441810519.db2.gz SNOYHUHLTSEMPC-KRWDZBQOSA-N 2 2 335.423 1.619 20 70 EDIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000159396982 441810523 /nfs/dbraw/zinc/81/05/23/441810523.db2.gz SNOYHUHLTSEMPC-KRWDZBQOSA-N 2 2 335.423 1.619 20 70 EDIDLP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000160716459 441913652 /nfs/dbraw/zinc/91/36/52/441913652.db2.gz SPGMHTZWEQYLRL-ZBFHGGJFSA-N 2 2 334.439 1.157 20 70 EDIDLP Cc1cccn2c(=O)cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000161396346 540033927 /nfs/dbraw/zinc/03/39/27/540033927.db2.gz WMFPQRNEUUUBBI-UHFFFAOYSA-N 2 2 335.411 1.720 20 70 EDIDLP CN(C)c1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159373743 441808018 /nfs/dbraw/zinc/80/80/18/441808018.db2.gz YGZFWRJTLZDRMP-GOSISDBHSA-N 2 2 330.476 1.667 20 70 EDIDLP CN(C)c1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159373743 441808023 /nfs/dbraw/zinc/80/80/23/441808023.db2.gz YGZFWRJTLZDRMP-GOSISDBHSA-N 2 2 330.476 1.667 20 70 EDIDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000160258661 441868596 /nfs/dbraw/zinc/86/85/96/441868596.db2.gz IGEVAMCSZPOWKQ-KBPBESRZSA-N 2 2 347.381 1.261 20 70 EDIDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000160258661 441868598 /nfs/dbraw/zinc/86/85/98/441868598.db2.gz IGEVAMCSZPOWKQ-KBPBESRZSA-N 2 2 347.381 1.261 20 70 EDIDLP C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000159907788 441846222 /nfs/dbraw/zinc/84/62/22/441846222.db2.gz RHPZUEDCHWIVBI-HNNXBMFYSA-N 2 2 343.537 1.241 20 70 EDIDLP C[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000159907901 441846337 /nfs/dbraw/zinc/84/63/37/441846337.db2.gz RHPZUEDCHWIVBI-OAHLLOKOSA-N 2 2 343.537 1.241 20 70 EDIDLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000159996764 534537524 /nfs/dbraw/zinc/53/75/24/534537524.db2.gz FKCLTAHVHBNKQS-GOSISDBHSA-N 2 2 342.443 1.508 20 70 EDIDLP COc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000159397714 441809187 /nfs/dbraw/zinc/80/91/87/441809187.db2.gz GSDWILXDHUFKQT-INIZCTEOSA-N 2 2 335.423 1.748 20 70 EDIDLP COc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000159397714 441809192 /nfs/dbraw/zinc/80/91/92/441809192.db2.gz GSDWILXDHUFKQT-INIZCTEOSA-N 2 2 335.423 1.748 20 70 EDIDLP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159655972 441828231 /nfs/dbraw/zinc/82/82/31/441828231.db2.gz TVCXPCGADAEFAS-MRXNPFEDSA-N 2 2 347.463 1.072 20 70 EDIDLP COc1ccccc1OCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159386177 540009183 /nfs/dbraw/zinc/00/91/83/540009183.db2.gz GGFXBIVDHXGHDY-INIZCTEOSA-N 2 2 347.459 1.488 20 70 EDIDLP COc1ccccc1OCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159386177 540009185 /nfs/dbraw/zinc/00/91/85/540009185.db2.gz GGFXBIVDHXGHDY-INIZCTEOSA-N 2 2 347.459 1.488 20 70 EDIDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160133834 441861103 /nfs/dbraw/zinc/86/11/03/441861103.db2.gz NEYSBMDXYQEOJD-MRXNPFEDSA-N 2 2 342.443 1.757 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000160258788 441869111 /nfs/dbraw/zinc/86/91/11/441869111.db2.gz IGEVAMCSZPOWKQ-KGLIPLIRSA-N 2 2 347.381 1.261 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000160258788 441869113 /nfs/dbraw/zinc/86/91/13/441869113.db2.gz IGEVAMCSZPOWKQ-KGLIPLIRSA-N 2 2 347.381 1.261 20 70 EDIDLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160642141 441904223 /nfs/dbraw/zinc/90/42/23/441904223.db2.gz OTPRUZFWUHGRNI-DOTOQJQBSA-N 2 2 343.475 1.534 20 70 EDIDLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@H+]1C1CC1 ZINC000160642141 441904228 /nfs/dbraw/zinc/90/42/28/441904228.db2.gz OTPRUZFWUHGRNI-DOTOQJQBSA-N 2 2 343.475 1.534 20 70 EDIDLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161374425 540033439 /nfs/dbraw/zinc/03/34/39/540033439.db2.gz IEFGKPNTPMOGKU-OAHLLOKOSA-N 2 2 342.447 1.581 20 70 EDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC(=O)NC ZINC000160039803 276121486 /nfs/dbraw/zinc/12/14/86/276121486.db2.gz UGDZPSOVTOOFIW-AWEZNQCLSA-N 2 2 347.463 1.464 20 70 EDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC(=O)NC ZINC000160039803 276121487 /nfs/dbraw/zinc/12/14/87/276121487.db2.gz UGDZPSOVTOOFIW-AWEZNQCLSA-N 2 2 347.463 1.464 20 70 EDIDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159888957 441844574 /nfs/dbraw/zinc/84/45/74/441844574.db2.gz PGIAWCKKYPXCTB-WBVHZDCISA-N 2 2 338.496 1.269 20 70 EDIDLP CC[C@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000160030386 529598088 /nfs/dbraw/zinc/59/80/88/529598088.db2.gz XFUCFZAKLPVODH-MRXNPFEDSA-N 2 2 329.448 1.319 20 70 EDIDLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159453168 533087201 /nfs/dbraw/zinc/08/72/01/533087201.db2.gz UWBQAFCZEFXUBG-ZDUSSCGKSA-N 2 2 334.420 1.123 20 70 EDIDLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159453168 533087205 /nfs/dbraw/zinc/08/72/05/533087205.db2.gz UWBQAFCZEFXUBG-ZDUSSCGKSA-N 2 2 334.420 1.123 20 70 EDIDLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161486829 442004371 /nfs/dbraw/zinc/00/43/71/442004371.db2.gz CWTHASDRZBRCKV-SJORKVTESA-N 2 2 345.491 1.074 20 70 EDIDLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161486829 442004373 /nfs/dbraw/zinc/00/43/73/442004373.db2.gz CWTHASDRZBRCKV-SJORKVTESA-N 2 2 345.491 1.074 20 70 EDIDLP CC[N@@H+]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000159613626 529029304 /nfs/dbraw/zinc/02/93/04/529029304.db2.gz NNDFQKGIJCXIEE-UHFFFAOYSA-N 2 2 328.420 1.505 20 70 EDIDLP CC[N@H+]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000159613626 529029308 /nfs/dbraw/zinc/02/93/08/529029308.db2.gz NNDFQKGIJCXIEE-UHFFFAOYSA-N 2 2 328.420 1.505 20 70 EDIDLP C[C@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161386413 539484697 /nfs/dbraw/zinc/48/46/97/539484697.db2.gz NDDPLQGEEPCHBQ-CQSZACIVSA-N 2 2 330.457 1.970 20 70 EDIDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC2(C1)OCCO2)c1ccccc1 ZINC000159397992 225209812 /nfs/dbraw/zinc/20/98/12/225209812.db2.gz OZGXECQWQLVVKI-KRWDZBQOSA-N 2 2 347.459 1.244 20 70 EDIDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC2(C1)OCCO2)c1ccccc1 ZINC000159397992 225209818 /nfs/dbraw/zinc/20/98/18/225209818.db2.gz OZGXECQWQLVVKI-KRWDZBQOSA-N 2 2 347.459 1.244 20 70 EDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC(N)=O ZINC000160081884 276341816 /nfs/dbraw/zinc/34/18/16/276341816.db2.gz CHEABVHFVQOROP-ZDUSSCGKSA-N 2 2 333.436 1.203 20 70 EDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC(N)=O ZINC000160081884 276341819 /nfs/dbraw/zinc/34/18/19/276341819.db2.gz CHEABVHFVQOROP-ZDUSSCGKSA-N 2 2 333.436 1.203 20 70 EDIDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160641899 441904781 /nfs/dbraw/zinc/90/47/81/441904781.db2.gz OTPRUZFWUHGRNI-RDJZCZTQSA-N 2 2 343.475 1.534 20 70 EDIDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@H+]1C1CC1 ZINC000160641899 441904784 /nfs/dbraw/zinc/90/47/84/441904784.db2.gz OTPRUZFWUHGRNI-RDJZCZTQSA-N 2 2 343.475 1.534 20 70 EDIDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000161202694 441970736 /nfs/dbraw/zinc/97/07/36/441970736.db2.gz BKNRDHASFACYEY-YJBOKZPZSA-N 3 2 332.492 1.550 20 70 EDIDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@H+]1C ZINC000161202694 441970742 /nfs/dbraw/zinc/97/07/42/441970742.db2.gz BKNRDHASFACYEY-YJBOKZPZSA-N 3 2 332.492 1.550 20 70 EDIDLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000161210959 441972337 /nfs/dbraw/zinc/97/23/37/441972337.db2.gz XNQGAHZINPLYNC-SFHVURJKSA-N 3 2 329.488 1.970 20 70 EDIDLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000161210959 441972343 /nfs/dbraw/zinc/97/23/43/441972343.db2.gz XNQGAHZINPLYNC-SFHVURJKSA-N 3 2 329.488 1.970 20 70 EDIDLP O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000159996611 225316576 /nfs/dbraw/zinc/31/65/76/225316576.db2.gz FKCLTAHVHBNKQS-SFHVURJKSA-N 2 2 342.443 1.508 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000160152993 225350266 /nfs/dbraw/zinc/35/02/66/225350266.db2.gz FODIMNJKDVDCGV-GOSISDBHSA-N 3 2 343.475 1.624 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000160152993 225350271 /nfs/dbraw/zinc/35/02/71/225350271.db2.gz FODIMNJKDVDCGV-GOSISDBHSA-N 3 2 343.475 1.624 20 70 EDIDLP Cn1cc[nH+]c1N1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000160922232 441936941 /nfs/dbraw/zinc/93/69/41/441936941.db2.gz UTUYMDPNGAEMHM-UHFFFAOYSA-N 2 2 347.507 1.827 20 70 EDIDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159571493 274356191 /nfs/dbraw/zinc/35/61/91/274356191.db2.gz DRWVQJISDDSUHN-AEFFLSMTSA-N 2 2 330.476 1.894 20 70 EDIDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159571493 274356192 /nfs/dbraw/zinc/35/61/92/274356192.db2.gz DRWVQJISDDSUHN-AEFFLSMTSA-N 2 2 330.476 1.894 20 70 EDIDLP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000161270380 282071468 /nfs/dbraw/zinc/07/14/68/282071468.db2.gz CKNGFFJQIWNSPA-QGZVFWFLSA-N 2 2 333.476 1.941 20 70 EDIDLP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161386275 539484862 /nfs/dbraw/zinc/48/48/62/539484862.db2.gz NDDPLQGEEPCHBQ-AWEZNQCLSA-N 2 2 330.457 1.970 20 70 EDIDLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000161029801 441948831 /nfs/dbraw/zinc/94/88/31/441948831.db2.gz UHJCXTVVOLDSIL-QGZVFWFLSA-N 2 2 340.512 1.471 20 70 EDIDLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000161029801 441948834 /nfs/dbraw/zinc/94/88/34/441948834.db2.gz UHJCXTVVOLDSIL-QGZVFWFLSA-N 2 2 340.512 1.471 20 70 EDIDLP CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000161333216 441987815 /nfs/dbraw/zinc/98/78/15/441987815.db2.gz IPKJDTXESIVMDF-JKSUJKDBSA-N 2 2 348.495 1.030 20 70 EDIDLP CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000161333216 441987819 /nfs/dbraw/zinc/98/78/19/441987819.db2.gz IPKJDTXESIVMDF-JKSUJKDBSA-N 2 2 348.495 1.030 20 70 EDIDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217844780 536410306 /nfs/dbraw/zinc/41/03/06/536410306.db2.gz NHLRIMGZJSZTCE-LBPRGKRZSA-N 2 2 330.245 1.924 20 70 EDIDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217844780 536410309 /nfs/dbraw/zinc/41/03/09/536410309.db2.gz NHLRIMGZJSZTCE-LBPRGKRZSA-N 2 2 330.245 1.924 20 70 EDIDLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000159795337 441838588 /nfs/dbraw/zinc/83/85/88/441838588.db2.gz PTKNRCAYHBQFEB-UHFFFAOYSA-N 2 2 329.448 1.320 20 70 EDIDLP C[N@H+](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCSC1 ZINC000159824549 441839750 /nfs/dbraw/zinc/83/97/50/441839750.db2.gz PCBISDPLWKKMTI-KRWDZBQOSA-N 2 2 344.484 1.985 20 70 EDIDLP C[N@@H+](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCSC1 ZINC000159824549 441839753 /nfs/dbraw/zinc/83/97/53/441839753.db2.gz PCBISDPLWKKMTI-KRWDZBQOSA-N 2 2 344.484 1.985 20 70 EDIDLP CC(C)OC(=O)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000159887231 441845007 /nfs/dbraw/zinc/84/50/07/441845007.db2.gz DECZGQNPLZMKIP-UHFFFAOYSA-N 2 2 342.484 1.043 20 70 EDIDLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000160155613 441863039 /nfs/dbraw/zinc/86/30/39/441863039.db2.gz MANOLSGMARCLHM-QGZVFWFLSA-N 2 2 328.416 1.449 20 70 EDIDLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000161066482 441951900 /nfs/dbraw/zinc/95/19/00/441951900.db2.gz FHOMVCFFMRYBSQ-NVXWUHKLSA-N 2 2 331.464 1.392 20 70 EDIDLP CCC[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000159575310 528399445 /nfs/dbraw/zinc/39/94/45/528399445.db2.gz GZPMMKNQZRMIPX-ROUUACIJSA-N 2 2 333.476 1.906 20 70 EDIDLP CCC[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000159575310 528399450 /nfs/dbraw/zinc/39/94/50/528399450.db2.gz GZPMMKNQZRMIPX-ROUUACIJSA-N 2 2 333.476 1.906 20 70 EDIDLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160362775 540023253 /nfs/dbraw/zinc/02/32/53/540023253.db2.gz OPALSFKNNDGRDI-KRWDZBQOSA-N 2 2 331.464 1.393 20 70 EDIDLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160362775 540023255 /nfs/dbraw/zinc/02/32/55/540023255.db2.gz OPALSFKNNDGRDI-KRWDZBQOSA-N 2 2 331.464 1.393 20 70 EDIDLP Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000160291140 225381297 /nfs/dbraw/zinc/38/12/97/225381297.db2.gz XHAHBOLUZGQXRU-SFHVURJKSA-N 2 2 343.471 1.806 20 70 EDIDLP Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000160291140 225381300 /nfs/dbraw/zinc/38/13/00/225381300.db2.gz XHAHBOLUZGQXRU-SFHVURJKSA-N 2 2 343.471 1.806 20 70 EDIDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160642039 441904381 /nfs/dbraw/zinc/90/43/81/441904381.db2.gz OTPRUZFWUHGRNI-NVXWUHKLSA-N 2 2 343.475 1.534 20 70 EDIDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@H+]1C1CC1 ZINC000160642039 441904385 /nfs/dbraw/zinc/90/43/85/441904385.db2.gz OTPRUZFWUHGRNI-NVXWUHKLSA-N 2 2 343.475 1.534 20 70 EDIDLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000161210841 441972640 /nfs/dbraw/zinc/97/26/40/441972640.db2.gz XNQGAHZINPLYNC-GOSISDBHSA-N 3 2 329.488 1.970 20 70 EDIDLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000161210841 441972646 /nfs/dbraw/zinc/97/26/46/441972646.db2.gz XNQGAHZINPLYNC-GOSISDBHSA-N 3 2 329.488 1.970 20 70 EDIDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000218131185 443058320 /nfs/dbraw/zinc/05/83/20/443058320.db2.gz SJHXQGZPGAMHPC-UKRRQHHQSA-N 2 2 341.477 1.095 20 70 EDIDLP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCSC1 ZINC000159477871 441816346 /nfs/dbraw/zinc/81/63/46/441816346.db2.gz RGHOBNKBXLZAHR-HNNXBMFYSA-N 2 2 349.504 1.209 20 70 EDIDLP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCSC1 ZINC000159477871 441816354 /nfs/dbraw/zinc/81/63/54/441816354.db2.gz RGHOBNKBXLZAHR-HNNXBMFYSA-N 2 2 349.504 1.209 20 70 EDIDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nc[nH]c21 ZINC000159520650 441817916 /nfs/dbraw/zinc/81/79/16/441817916.db2.gz MNSMRUGYBJBRSQ-UHFFFAOYSA-N 2 2 329.448 1.661 20 70 EDIDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nc[nH]c21 ZINC000159520650 441817919 /nfs/dbraw/zinc/81/79/19/441817919.db2.gz MNSMRUGYBJBRSQ-UHFFFAOYSA-N 2 2 329.448 1.661 20 70 EDIDLP Cc1cnn(CCCCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159428901 441812051 /nfs/dbraw/zinc/81/20/51/441812051.db2.gz LXRBFVWWLRMGLB-GOSISDBHSA-N 2 2 347.507 1.776 20 70 EDIDLP Cc1cnn(CCCCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159428901 441812057 /nfs/dbraw/zinc/81/20/57/441812057.db2.gz LXRBFVWWLRMGLB-GOSISDBHSA-N 2 2 347.507 1.776 20 70 EDIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1 ZINC000159465719 441815185 /nfs/dbraw/zinc/81/51/85/441815185.db2.gz YBANZDXNUDCFBD-SJLPKXTDSA-N 3 2 331.508 1.796 20 70 EDIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)CC1 ZINC000159465719 441815193 /nfs/dbraw/zinc/81/51/93/441815193.db2.gz YBANZDXNUDCFBD-SJLPKXTDSA-N 3 2 331.508 1.796 20 70 EDIDLP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160237002 441868490 /nfs/dbraw/zinc/86/84/90/441868490.db2.gz JJLBSFWBBUKWGN-KRWDZBQOSA-N 2 2 327.476 1.936 20 70 EDIDLP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160237002 441868497 /nfs/dbraw/zinc/86/84/97/441868497.db2.gz JJLBSFWBBUKWGN-KRWDZBQOSA-N 2 2 327.476 1.936 20 70 EDIDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160237002 441868502 /nfs/dbraw/zinc/86/85/02/441868502.db2.gz JJLBSFWBBUKWGN-KRWDZBQOSA-N 2 2 327.476 1.936 20 70 EDIDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160237002 441868507 /nfs/dbraw/zinc/86/85/07/441868507.db2.gz JJLBSFWBBUKWGN-KRWDZBQOSA-N 2 2 327.476 1.936 20 70 EDIDLP COC(=O)[C@H](c1cccnc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000159966671 441851371 /nfs/dbraw/zinc/85/13/71/441851371.db2.gz IVMGUNIMWFYOOP-KRWDZBQOSA-N 2 2 328.416 1.984 20 70 EDIDLP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000161066403 441952481 /nfs/dbraw/zinc/95/24/81/441952481.db2.gz FHOMVCFFMRYBSQ-RDJZCZTQSA-N 2 2 331.464 1.392 20 70 EDIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160271496 441869141 /nfs/dbraw/zinc/86/91/41/441869141.db2.gz HJYKXGIENGXYFQ-HNNXBMFYSA-N 2 2 334.464 1.262 20 70 EDIDLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000161429018 441999008 /nfs/dbraw/zinc/99/90/08/441999008.db2.gz ZXOUPGRWLUJJHF-CQSZACIVSA-N 2 2 341.415 1.198 20 70 EDIDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160326307 318422015 /nfs/dbraw/zinc/42/20/15/318422015.db2.gz UHVHNSOEDMWENV-INIZCTEOSA-N 2 2 340.512 1.471 20 70 EDIDLP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160398534 441877560 /nfs/dbraw/zinc/87/75/60/441877560.db2.gz CZPCNONFJFXPKL-UHFFFAOYSA-N 2 2 345.491 1.783 20 70 EDIDLP COc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161295682 540032698 /nfs/dbraw/zinc/03/26/98/540032698.db2.gz HSZSMINFSHLDPQ-UHFFFAOYSA-N 2 2 326.400 1.851 20 70 EDIDLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159869124 206266582 /nfs/dbraw/zinc/26/65/82/206266582.db2.gz PVVDUVQGUFAWLC-UHFFFAOYSA-N 2 2 325.416 1.872 20 70 EDIDLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000160069420 206277157 /nfs/dbraw/zinc/27/71/57/206277157.db2.gz SUAHJZPQQWDDQT-OAHLLOKOSA-N 2 2 331.464 1.392 20 70 EDIDLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000160069420 206277162 /nfs/dbraw/zinc/27/71/62/206277162.db2.gz SUAHJZPQQWDDQT-OAHLLOKOSA-N 2 2 331.464 1.392 20 70 EDIDLP CC(=O)NC1CCC(Nc2ccc(N3CC[NH+](C)CC3)c[nH+]2)CC1 ZINC000161330052 206341872 /nfs/dbraw/zinc/34/18/72/206341872.db2.gz MKEUWNYPRJBQGY-UHFFFAOYSA-N 2 2 331.464 1.693 20 70 EDIDLP Cc1[nH+]c2ccccn2c1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000159764049 441836697 /nfs/dbraw/zinc/83/66/97/441836697.db2.gz ANUYTUMYYIWOQW-UHFFFAOYSA-N 2 2 341.459 1.383 20 70 EDIDLP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161378161 540033381 /nfs/dbraw/zinc/03/33/81/540033381.db2.gz DUTAHUKEVSUZKZ-KRWDZBQOSA-N 2 2 338.455 1.951 20 70 EDIDLP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000160716717 206310211 /nfs/dbraw/zinc/31/02/11/206310211.db2.gz SPGMHTZWEQYLRL-GDBMZVCRSA-N 2 2 334.439 1.157 20 70 EDIDLP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCSC1 ZINC000159477728 441817057 /nfs/dbraw/zinc/81/70/57/441817057.db2.gz RGHOBNKBXLZAHR-OAHLLOKOSA-N 2 2 349.504 1.209 20 70 EDIDLP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCSC1 ZINC000159477728 441817062 /nfs/dbraw/zinc/81/70/62/441817062.db2.gz RGHOBNKBXLZAHR-OAHLLOKOSA-N 2 2 349.504 1.209 20 70 EDIDLP CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000161333317 441987208 /nfs/dbraw/zinc/98/72/08/441987208.db2.gz IPKJDTXESIVMDF-HOTGVXAUSA-N 2 2 348.495 1.030 20 70 EDIDLP CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000161333317 441987214 /nfs/dbraw/zinc/98/72/14/441987214.db2.gz IPKJDTXESIVMDF-HOTGVXAUSA-N 2 2 348.495 1.030 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1)c1ccccc1 ZINC000160164437 441863213 /nfs/dbraw/zinc/86/32/13/441863213.db2.gz RXRKSGNSSCVSQF-QZTJIDSGSA-N 2 2 331.460 1.516 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCOC[C@@H]1C1CC1)c1ccccc1 ZINC000160164437 441863217 /nfs/dbraw/zinc/86/32/17/441863217.db2.gz RXRKSGNSSCVSQF-QZTJIDSGSA-N 2 2 331.460 1.516 20 70 EDIDLP C[C@H](c1cnn(C)c1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160657245 441905107 /nfs/dbraw/zinc/90/51/07/441905107.db2.gz UPDGKUBYDUUNDZ-QAPCUYQASA-N 2 2 343.475 1.832 20 70 EDIDLP C[C@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160657245 441905111 /nfs/dbraw/zinc/90/51/11/441905111.db2.gz UPDGKUBYDUUNDZ-QAPCUYQASA-N 2 2 343.475 1.832 20 70 EDIDLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160765537 441919532 /nfs/dbraw/zinc/91/95/32/441919532.db2.gz LDOGEVKVUZYTNQ-SFHVURJKSA-N 2 2 343.475 1.393 20 70 EDIDLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160765537 441919535 /nfs/dbraw/zinc/91/95/35/441919535.db2.gz LDOGEVKVUZYTNQ-SFHVURJKSA-N 2 2 343.475 1.393 20 70 EDIDLP C[N@H+](CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000160075696 529913598 /nfs/dbraw/zinc/91/35/98/529913598.db2.gz UDMINGMAWOQPGG-UHFFFAOYSA-N 2 2 345.491 1.783 20 70 EDIDLP C[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000160075696 529913600 /nfs/dbraw/zinc/91/36/00/529913600.db2.gz UDMINGMAWOQPGG-UHFFFAOYSA-N 2 2 345.491 1.783 20 70 EDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC(=O)NC ZINC000160039900 279171802 /nfs/dbraw/zinc/17/18/02/279171802.db2.gz UGDZPSOVTOOFIW-CQSZACIVSA-N 2 2 347.463 1.464 20 70 EDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC(=O)NC ZINC000160039900 279171804 /nfs/dbraw/zinc/17/18/04/279171804.db2.gz UGDZPSOVTOOFIW-CQSZACIVSA-N 2 2 347.463 1.464 20 70 EDIDLP Cc1c(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1C ZINC000161046816 441949765 /nfs/dbraw/zinc/94/97/65/441949765.db2.gz KXVWYDWQBJTMDL-UHFFFAOYSA-N 2 2 348.495 1.086 20 70 EDIDLP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000161429104 441998933 /nfs/dbraw/zinc/99/89/33/441998933.db2.gz ZXOUPGRWLUJJHF-AWEZNQCLSA-N 2 2 341.415 1.198 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC000159549702 289352484 /nfs/dbraw/zinc/35/24/84/289352484.db2.gz KPVVWUHLKGJNOZ-MRXNPFEDSA-N 2 2 346.475 1.135 20 70 EDIDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC000159549702 289352488 /nfs/dbraw/zinc/35/24/88/289352488.db2.gz KPVVWUHLKGJNOZ-MRXNPFEDSA-N 2 2 346.475 1.135 20 70 EDIDLP Cc1cnn(CCCCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159429031 441811762 /nfs/dbraw/zinc/81/17/62/441811762.db2.gz LXRBFVWWLRMGLB-SFHVURJKSA-N 2 2 347.507 1.776 20 70 EDIDLP Cc1cnn(CCCCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159429031 441811772 /nfs/dbraw/zinc/81/17/72/441811772.db2.gz LXRBFVWWLRMGLB-SFHVURJKSA-N 2 2 347.507 1.776 20 70 EDIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOc2ccccc2F)CC1 ZINC000159423279 441811837 /nfs/dbraw/zinc/81/18/37/441811837.db2.gz DRZJRSWWCRRHRQ-INIZCTEOSA-N 2 2 335.423 1.619 20 70 EDIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOc2ccccc2F)CC1 ZINC000159423279 441811842 /nfs/dbraw/zinc/81/18/42/441811842.db2.gz DRZJRSWWCRRHRQ-INIZCTEOSA-N 2 2 335.423 1.619 20 70 EDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2ccccc2)=N1 ZINC000161350234 540033155 /nfs/dbraw/zinc/03/31/55/540033155.db2.gz JHZWBWWELWLVME-UHFFFAOYSA-N 2 2 349.438 1.840 20 70 EDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccccc1F ZINC000161392488 540033839 /nfs/dbraw/zinc/03/38/39/540033839.db2.gz QTBVQDIOFRYYJD-UHFFFAOYSA-N 2 2 328.391 1.659 20 70 EDIDLP CCOC(=O)CCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159362310 441806703 /nfs/dbraw/zinc/80/67/03/441806703.db2.gz PQALYNRIENAHIZ-OAHLLOKOSA-N 2 2 325.453 1.134 20 70 EDIDLP CCOC(=O)CCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159362310 441806708 /nfs/dbraw/zinc/80/67/08/441806708.db2.gz PQALYNRIENAHIZ-OAHLLOKOSA-N 2 2 325.453 1.134 20 70 EDIDLP CC(=O)NC1CCC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000161274628 441979328 /nfs/dbraw/zinc/97/93/28/441979328.db2.gz FRGDVDGVEFPORG-MHJFOBGBSA-N 2 2 345.487 1.443 20 70 EDIDLP CC(=O)NC1CCC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000161274628 441979333 /nfs/dbraw/zinc/97/93/33/441979333.db2.gz FRGDVDGVEFPORG-MHJFOBGBSA-N 2 2 345.487 1.443 20 70 EDIDLP CC(C)[NH+]1CCC(NC(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000159807183 441839862 /nfs/dbraw/zinc/83/98/62/441839862.db2.gz WGURPOVQXRVVHM-UHFFFAOYSA-N 2 2 329.510 1.041 20 70 EDIDLP CN(C)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(F)c1 ZINC000160913778 441935898 /nfs/dbraw/zinc/93/58/98/441935898.db2.gz DOKDNSHRDNGFLV-UHFFFAOYSA-N 2 2 336.455 1.648 20 70 EDIDLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160993136 441945566 /nfs/dbraw/zinc/94/55/66/441945566.db2.gz HBVSLMVTTJPICW-OAHLLOKOSA-N 2 2 342.443 1.702 20 70 EDIDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000218131005 443058135 /nfs/dbraw/zinc/05/81/35/443058135.db2.gz SJHXQGZPGAMHPC-DZGCQCFKSA-N 2 2 341.477 1.095 20 70 EDIDLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160145088 529010989 /nfs/dbraw/zinc/01/09/89/529010989.db2.gz FQPSNFDEPMVDRT-SFHVURJKSA-N 2 2 345.491 1.783 20 70 EDIDLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160145088 529010996 /nfs/dbraw/zinc/01/09/96/529010996.db2.gz FQPSNFDEPMVDRT-SFHVURJKSA-N 2 2 345.491 1.783 20 70 EDIDLP CC(C)C(=O)NCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160216139 441866351 /nfs/dbraw/zinc/86/63/51/441866351.db2.gz IIMARNXFTGCVEC-QGZVFWFLSA-N 2 2 348.491 1.110 20 70 EDIDLP CC(C)C(=O)NCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160216139 441866356 /nfs/dbraw/zinc/86/63/56/441866356.db2.gz IIMARNXFTGCVEC-QGZVFWFLSA-N 2 2 348.491 1.110 20 70 EDIDLP c1csc(-c2noc(CN3CC[NH+](CCn4cc[nH+]c4)CC3)n2)c1 ZINC000159740091 225269343 /nfs/dbraw/zinc/26/93/43/225269343.db2.gz ALQWIKWBVXXILF-UHFFFAOYSA-N 2 2 344.444 1.812 20 70 EDIDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000160641771 441904409 /nfs/dbraw/zinc/90/44/09/441904409.db2.gz OTPRUZFWUHGRNI-WBVHZDCISA-N 2 2 343.475 1.534 20 70 EDIDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[N@H+]1C1CC1 ZINC000160641771 441904411 /nfs/dbraw/zinc/90/44/11/441904411.db2.gz OTPRUZFWUHGRNI-WBVHZDCISA-N 2 2 343.475 1.534 20 70 EDIDLP CN(C)c1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159373891 441808087 /nfs/dbraw/zinc/80/80/87/441808087.db2.gz YGZFWRJTLZDRMP-SFHVURJKSA-N 2 2 330.476 1.667 20 70 EDIDLP CN(C)c1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159373891 441808095 /nfs/dbraw/zinc/80/80/95/441808095.db2.gz YGZFWRJTLZDRMP-SFHVURJKSA-N 2 2 330.476 1.667 20 70 EDIDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160613299 441901517 /nfs/dbraw/zinc/90/15/17/441901517.db2.gz OWUJPIVUCLLZEE-OCCSQVGLSA-N 2 2 344.381 1.560 20 70 EDIDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160613299 441901524 /nfs/dbraw/zinc/90/15/24/441901524.db2.gz OWUJPIVUCLLZEE-OCCSQVGLSA-N 2 2 344.381 1.560 20 70 EDIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159502099 441817931 /nfs/dbraw/zinc/81/79/31/441817931.db2.gz QOYADETXCHKEGZ-FUHWJXTLSA-N 3 2 331.508 1.653 20 70 EDIDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000159502099 441817935 /nfs/dbraw/zinc/81/79/35/441817935.db2.gz QOYADETXCHKEGZ-FUHWJXTLSA-N 3 2 331.508 1.653 20 70 EDIDLP CC[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000160030230 529277782 /nfs/dbraw/zinc/27/77/82/529277782.db2.gz XFUCFZAKLPVODH-INIZCTEOSA-N 2 2 329.448 1.319 20 70 EDIDLP Cc1csc2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc(=O)n12 ZINC000161345301 540033416 /nfs/dbraw/zinc/03/34/16/540033416.db2.gz NMYOEKHMRUINTJ-UHFFFAOYSA-N 2 2 341.440 1.782 20 70 EDIDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159571630 225240985 /nfs/dbraw/zinc/24/09/85/225240985.db2.gz DRWVQJISDDSUHN-WMZOPIPTSA-N 2 2 330.476 1.894 20 70 EDIDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159571630 225240989 /nfs/dbraw/zinc/24/09/89/225240989.db2.gz DRWVQJISDDSUHN-WMZOPIPTSA-N 2 2 330.476 1.894 20 70 EDIDLP COC(=O)c1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159403609 441809873 /nfs/dbraw/zinc/80/98/73/441809873.db2.gz PRALWWXKZFCICZ-KRWDZBQOSA-N 2 2 345.443 1.387 20 70 EDIDLP COC(=O)c1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159403609 441809880 /nfs/dbraw/zinc/80/98/80/441809880.db2.gz PRALWWXKZFCICZ-KRWDZBQOSA-N 2 2 345.443 1.387 20 70 EDIDLP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000161066293 441951910 /nfs/dbraw/zinc/95/19/10/441951910.db2.gz FHOMVCFFMRYBSQ-DOTOQJQBSA-N 2 2 331.464 1.392 20 70 EDIDLP COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000159966806 225311261 /nfs/dbraw/zinc/31/12/61/225311261.db2.gz IVMGUNIMWFYOOP-QGZVFWFLSA-N 2 2 328.416 1.984 20 70 EDIDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159889088 441844778 /nfs/dbraw/zinc/84/47/78/441844778.db2.gz PGIAWCKKYPXCTB-RDJZCZTQSA-N 2 2 338.496 1.269 20 70 EDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC(N)=O ZINC000160082054 441857241 /nfs/dbraw/zinc/85/72/41/441857241.db2.gz CHEABVHFVQOROP-CYBMUJFWSA-N 2 2 333.436 1.203 20 70 EDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC(N)=O ZINC000160082054 441857249 /nfs/dbraw/zinc/85/72/49/441857249.db2.gz CHEABVHFVQOROP-CYBMUJFWSA-N 2 2 333.436 1.203 20 70 EDIDLP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161393604 441994681 /nfs/dbraw/zinc/99/46/81/441994681.db2.gz KECOMHZYTDVKDI-HNNXBMFYSA-N 2 2 329.466 1.107 20 70 EDIDLP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161393604 441994688 /nfs/dbraw/zinc/99/46/88/441994688.db2.gz KECOMHZYTDVKDI-HNNXBMFYSA-N 2 2 329.466 1.107 20 70 EDIDLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161486700 277045164 /nfs/dbraw/zinc/04/51/64/277045164.db2.gz CWTHASDRZBRCKV-IAGOWNOFSA-N 2 2 345.491 1.074 20 70 EDIDLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161486700 277045165 /nfs/dbraw/zinc/04/51/65/277045165.db2.gz CWTHASDRZBRCKV-IAGOWNOFSA-N 2 2 345.491 1.074 20 70 EDIDLP COC(=O)c1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159403468 441810454 /nfs/dbraw/zinc/81/04/54/441810454.db2.gz PRALWWXKZFCICZ-QGZVFWFLSA-N 2 2 345.443 1.387 20 70 EDIDLP COC(=O)c1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159403468 441810456 /nfs/dbraw/zinc/81/04/56/441810456.db2.gz PRALWWXKZFCICZ-QGZVFWFLSA-N 2 2 345.443 1.387 20 70 EDIDLP c1nnc2ccc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)nn12 ZINC000161341124 540033321 /nfs/dbraw/zinc/03/33/21/540033321.db2.gz LNXGWRGEBOPILY-UHFFFAOYSA-N 2 2 329.452 1.122 20 70 EDIDLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000159453019 533088028 /nfs/dbraw/zinc/08/80/28/533088028.db2.gz UWBQAFCZEFXUBG-CYBMUJFWSA-N 2 2 334.420 1.123 20 70 EDIDLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159453019 533088030 /nfs/dbraw/zinc/08/80/30/533088030.db2.gz UWBQAFCZEFXUBG-CYBMUJFWSA-N 2 2 334.420 1.123 20 70 EDIDLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160545213 441894724 /nfs/dbraw/zinc/89/47/24/441894724.db2.gz ZHWPHWRGLXBQNN-UHFFFAOYSA-N 2 2 333.480 1.641 20 70 EDIDLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160545213 441894727 /nfs/dbraw/zinc/89/47/27/441894727.db2.gz ZHWPHWRGLXBQNN-UHFFFAOYSA-N 2 2 333.480 1.641 20 70 EDIDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160314064 318421798 /nfs/dbraw/zinc/42/17/98/318421798.db2.gz CJIMPDASZSDNHV-OAHLLOKOSA-N 2 2 326.485 1.223 20 70 EDIDLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161374547 540033297 /nfs/dbraw/zinc/03/32/97/540033297.db2.gz IEFGKPNTPMOGKU-HNNXBMFYSA-N 2 2 342.447 1.581 20 70 EDIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000160357082 441874142 /nfs/dbraw/zinc/87/41/42/441874142.db2.gz GKHDORMQOPWKFE-OAHLLOKOSA-N 2 2 334.464 1.262 20 70 EDIDLP CC[NH+](CC)CC(=O)N1CCN(Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000159795468 441838301 /nfs/dbraw/zinc/83/83/01/441838301.db2.gz ZHBMKTWSKGIWHS-UHFFFAOYSA-N 2 2 343.475 1.629 20 70 EDIDLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161408594 441996971 /nfs/dbraw/zinc/99/69/71/441996971.db2.gz YJKMCIHIGQZEAX-SFHVURJKSA-N 2 2 336.524 1.491 20 70 EDIDLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000161469608 442003400 /nfs/dbraw/zinc/00/34/00/442003400.db2.gz HAVWNPGIEKMOOI-GFCCVEGCSA-N 2 2 326.462 1.844 20 70 EDIDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160362633 540023004 /nfs/dbraw/zinc/02/30/04/540023004.db2.gz OPALSFKNNDGRDI-QGZVFWFLSA-N 2 2 331.464 1.393 20 70 EDIDLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160362633 540023009 /nfs/dbraw/zinc/02/30/09/540023009.db2.gz OPALSFKNNDGRDI-QGZVFWFLSA-N 2 2 331.464 1.393 20 70 EDIDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000160262576 441870105 /nfs/dbraw/zinc/87/01/05/441870105.db2.gz PAAUPXDLGHQNGQ-INIZCTEOSA-N 2 2 344.390 1.985 20 70 EDIDLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000160262576 441870109 /nfs/dbraw/zinc/87/01/09/441870109.db2.gz PAAUPXDLGHQNGQ-INIZCTEOSA-N 2 2 344.390 1.985 20 70 EDIDLP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000161469478 206349214 /nfs/dbraw/zinc/34/92/14/206349214.db2.gz HAVWNPGIEKMOOI-LBPRGKRZSA-N 2 2 326.462 1.844 20 70 EDIDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@H+](C)CC(=O)NC(N)=O ZINC000159490515 206249130 /nfs/dbraw/zinc/24/91/30/206249130.db2.gz SAXCDHNOQIEQNC-ZIAGYGMSSA-N 2 2 332.448 1.270 20 70 EDIDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@@H+](C)CC(=O)NC(N)=O ZINC000159490515 206249133 /nfs/dbraw/zinc/24/91/33/206249133.db2.gz SAXCDHNOQIEQNC-ZIAGYGMSSA-N 2 2 332.448 1.270 20 70 EDIDLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159980179 206272688 /nfs/dbraw/zinc/27/26/88/206272688.db2.gz DUUUCABSOMFGOG-MRXNPFEDSA-N 2 2 333.480 1.639 20 70 EDIDLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159980179 206272692 /nfs/dbraw/zinc/27/26/92/206272692.db2.gz DUUUCABSOMFGOG-MRXNPFEDSA-N 2 2 333.480 1.639 20 70 EDIDLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000160069291 206277229 /nfs/dbraw/zinc/27/72/29/206277229.db2.gz SUAHJZPQQWDDQT-HNNXBMFYSA-N 2 2 331.464 1.392 20 70 EDIDLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000160069291 206277232 /nfs/dbraw/zinc/27/72/32/206277232.db2.gz SUAHJZPQQWDDQT-HNNXBMFYSA-N 2 2 331.464 1.392 20 70 EDIDLP CCC(CC)[C@H](C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000159641701 441825721 /nfs/dbraw/zinc/82/57/21/441825721.db2.gz DMKJCVASMWIVDW-MRXNPFEDSA-N 2 2 325.497 1.901 20 70 EDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000161296466 540032818 /nfs/dbraw/zinc/03/28/18/540032818.db2.gz BHJGOXVVQQTIJX-UHFFFAOYSA-N 2 2 340.383 1.571 20 70 EDIDLP CC(=O)NC1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000161274743 206339061 /nfs/dbraw/zinc/33/90/61/206339061.db2.gz FRGDVDGVEFPORG-SOAGJPPSSA-N 2 2 345.487 1.443 20 70 EDIDLP CC(=O)NC1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000161274743 206339065 /nfs/dbraw/zinc/33/90/65/206339065.db2.gz FRGDVDGVEFPORG-SOAGJPPSSA-N 2 2 345.487 1.443 20 70 EDIDLP O=C(NCC1CC[NH+](CCO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000160579413 441898731 /nfs/dbraw/zinc/89/87/31/441898731.db2.gz NOPAFSVPJMATCT-UHFFFAOYSA-N 2 2 328.416 1.306 20 70 EDIDLP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000160716341 206310581 /nfs/dbraw/zinc/31/05/81/206310581.db2.gz SPGMHTZWEQYLRL-HOCLYGCPSA-N 2 2 334.439 1.157 20 70 EDIDLP COCCC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000160969842 302925045 /nfs/dbraw/zinc/92/50/45/302925045.db2.gz JFVRAPXTVXLGEU-UHFFFAOYSA-N 2 2 326.485 1.128 20 70 EDIDLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000161477482 442003638 /nfs/dbraw/zinc/00/36/38/442003638.db2.gz HIXGEPMVUXCOBV-LJQANCHMSA-N 2 2 347.459 1.519 20 70 EDIDLP [NH3+]C1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000159578007 441822431 /nfs/dbraw/zinc/82/24/31/441822431.db2.gz RPQFDJWQIPNTMY-UHFFFAOYSA-N 2 2 331.460 1.910 20 70 EDIDLP CCCS(=O)(=O)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160584436 272930105 /nfs/dbraw/zinc/93/01/05/272930105.db2.gz QRFYHVJXBHRCPG-UHFFFAOYSA-N 2 2 331.526 1.656 20 70 EDIDLP CCOC(=O)CCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159362461 441805938 /nfs/dbraw/zinc/80/59/38/441805938.db2.gz PQALYNRIENAHIZ-HNNXBMFYSA-N 2 2 325.453 1.134 20 70 EDIDLP CCOC(=O)CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159362461 441805940 /nfs/dbraw/zinc/80/59/40/441805940.db2.gz PQALYNRIENAHIZ-HNNXBMFYSA-N 2 2 325.453 1.134 20 70 EDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC(=O)Nc1ccccc1 ZINC000161368841 441990964 /nfs/dbraw/zinc/99/09/64/441990964.db2.gz KHJVZCNXGODKGN-UHFFFAOYSA-N 2 2 339.399 1.552 20 70 EDIDLP COc1cccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161292347 540032183 /nfs/dbraw/zinc/03/21/83/540032183.db2.gz KZELMSVFMRGZIP-UHFFFAOYSA-N 2 2 326.400 1.851 20 70 EDIDLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000160541286 441895277 /nfs/dbraw/zinc/89/52/77/441895277.db2.gz JPSPPRJKHUCEGQ-BMGDILEWSA-N 2 2 340.475 1.797 20 70 EDIDLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000160541286 441895281 /nfs/dbraw/zinc/89/52/81/441895281.db2.gz JPSPPRJKHUCEGQ-BMGDILEWSA-N 2 2 340.475 1.797 20 70 EDIDLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160993253 441945663 /nfs/dbraw/zinc/94/56/63/441945663.db2.gz HBVSLMVTTJPICW-HNNXBMFYSA-N 2 2 342.443 1.702 20 70 EDIDLP CC[N@@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000159581732 529029091 /nfs/dbraw/zinc/02/90/91/529029091.db2.gz KCEHEGVRVMCYOB-UHFFFAOYSA-N 2 2 331.464 1.919 20 70 EDIDLP CC[N@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000159581732 529029095 /nfs/dbraw/zinc/02/90/95/529029095.db2.gz KCEHEGVRVMCYOB-UHFFFAOYSA-N 2 2 331.464 1.919 20 70 EDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc2C1 ZINC000161297354 540032691 /nfs/dbraw/zinc/03/26/91/540032691.db2.gz ZFCIWLXNEJLEFO-UHFFFAOYSA-N 2 2 336.439 1.789 20 70 EDIDLP COC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159377534 441807412 /nfs/dbraw/zinc/80/74/12/441807412.db2.gz JAJULTRYAJAXEX-QGZVFWFLSA-N 2 2 345.443 1.387 20 70 EDIDLP COC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159377534 441807418 /nfs/dbraw/zinc/80/74/18/441807418.db2.gz JAJULTRYAJAXEX-QGZVFWFLSA-N 2 2 345.443 1.387 20 70 EDIDLP